USER MOD reduce.3.24.130724 H: found=0, std=0, add=1588, rem=0, adj=59 USER MOD reduce.3.24.130724 removed 1592 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: B 57 MET CE :methyl -125:sc= -3.41 (180deg=-9.18!) USER MOD Set 1.2: B 68 CYS SG : rot 160:sc= 0.173 USER MOD Set 2.1: B 55 LYS NZ :NH3+ -129:sc= -0.448 (180deg=-2.14!) USER MOD Set 2.2: Y 105 HIS : no HD1:sc= -5.13! K(o=-5.6!,f=-10) USER MOD Set 3.1: B 17 TYR OH : rot 0:sc= -0.282 USER MOD Set 3.2: B 38 ASN :FLIP amide:sc= -0.0567 F(o=-1.9,f=-0.34) USER MOD Set 4.1: A 16 GLN : amide:sc= 0.0167 K(o=0.0058,f=-5.6!) USER MOD Set 4.2: B 1 SER OG : rot 180:sc= -0.0108 USER MOD Set 5.1: A 81 THR OG1 : rot 60:sc= 0.709 USER MOD Set 5.2: B 7 MET CE :methyl 163:sc= -0.371 (180deg=-0.666) USER MOD Set 6.1: A 57 MET CE :methyl -127:sc= -3.15 (180deg=-9.13!) USER MOD Set 6.2: A 68 CYS SG : rot 160:sc= 0.165 USER MOD Set 7.1: A 55 LYS NZ :NH3+ -134:sc= -0.28 (180deg=-2.52!) USER MOD Set 7.2: X 105 HIS : no HD1:sc= -4.57! K(o=-4.9!,f=-6.3) USER MOD Set 8.1: A 17 TYR OH : rot 0:sc= -0.296 USER MOD Set 8.2: A 38 ASN :FLIP amide:sc= -0.0507 F(o=-1.8,f=-0.35) USER MOD Set 9.1: A 7 MET CE :methyl 170:sc= -0.307 (180deg=-0.596) USER MOD Set 9.2: B 81 THR OG1 : rot 93:sc= 0.817 USER MOD Set10.1: A 1 SER OG : rot 180:sc= -0.0116 USER MOD Set10.2: B 16 GLN : amide:sc= 0.0406 K(o=0.029,f=-5.6!) USER MOD Single : A 0 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 0 MET N :NH3+ -163:sc= -0.0117 (180deg=-0.257) USER MOD Single : A 5 LYS NZ :NH3+ -116:sc= 0 (180deg=-0.893) USER MOD Single : A 15 HIS : no HE2:sc= 0.101 K(o=0.1,f=-0.6) USER MOD Single : A 18 SER OG : rot -137:sc= 0.673 USER MOD Single : A 24 LYS NZ :NH3+ -152:sc= -0.772 (180deg=-1.9) USER MOD Single : A 25 HIS : no HD1:sc= -0.623 K(o=-0.62,f=-6.4!) USER MOD Single : A 26 LYS NZ :NH3+ -126:sc= -6.7! (180deg=-12!) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ -134:sc= -0.556 (180deg=-1.47) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ -114:sc= -0.85 (180deg=-3.31!) USER MOD Single : A 37 ASN :FLIP amide:sc= -0.305 F(o=-1.9,f=-0.3) USER MOD Single : A 41 SER OG : rot 64:sc= 0.245 USER MOD Single : A 42 HIS : no HD1:sc= -0.343 K(o=-0.34,f=-0.95) USER MOD Single : A 48 LYS NZ :NH3+ 162:sc= 0.193 (180deg=0.114!) USER MOD Single : A 50 GLN :FLIP amide:sc= -0.381 F(o=-4,f=-0.38) USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 GLN : amide:sc= -0.0604 K(o=-0.06,f=-2.2!) USER MOD Single : A 74 MET CE :methyl 154:sc= -0.955 (180deg=-1.52) USER MOD Single : A 78 SER OG : rot 3:sc= -1.16! USER MOD Single : A 79 MET CE :methyl 149:sc= -0.203 (180deg=-2.14) USER MOD Single : A 82 THR OG1 : rot 180:sc= -0.0386 USER MOD Single : A 84 CYS SG : rot 180:sc= 0 USER MOD Single : A 85 HIS : no HD1:sc= -0.478 K(o=-0.48,f=-1.4) USER MOD Single : B 0 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 0 MET N :NH3+ -165:sc= -0.0134 (180deg=-0.24) USER MOD Single : B 5 LYS NZ :NH3+ -114:sc=-0.00179 (180deg=-0.843) USER MOD Single : B 15 HIS : no HE2:sc= 0.0879 K(o=0.088,f=-0.53) USER MOD Single : B 18 SER OG : rot -139:sc= 0.727 USER MOD Single : B 24 LYS NZ :NH3+ -152:sc= -0.965 (180deg=-1.94) USER MOD Single : B 25 HIS : no HD1:sc= -0.726 K(o=-0.73,f=-6.5!) USER MOD Single : B 26 LYS NZ :NH3+ -127:sc= -6.92! (180deg=-12.3!) USER MOD Single : B 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 29 LYS NZ :NH3+ -137:sc= -0.545 (180deg=-1.7) USER MOD Single : B 30 SER OG : rot 180:sc= 0 USER MOD Single : B 33 LYS NZ :NH3+ -107:sc= -0.943 (180deg=-3.43!) USER MOD Single : B 37 ASN :FLIP amide:sc= -0.165 F(o=-1.8,f=-0.16) USER MOD Single : B 41 SER OG : rot 63:sc= 0.252 USER MOD Single : B 42 HIS : no HD1:sc= -0.443 X(o=-0.44,f=-0.9) USER MOD Single : B 48 LYS NZ :NH3+ 180:sc= 0.192 (180deg=0.192) USER MOD Single : B 50 GLN :FLIP amide:sc= -0.398 F(o=-4,f=-0.4) USER MOD Single : B 59 THR OG1 : rot 180:sc= 0 USER MOD Single : B 71 GLN : amide:sc= -0.0982 K(o=-0.098,f=-2.2!) USER MOD Single : B 74 MET CE :methyl 161:sc= -1.01 (180deg=-1.33) USER MOD Single : B 78 SER OG : rot 3:sc= -1.23! USER MOD Single : B 79 MET CE :methyl 147:sc= -0.173 (180deg=-2.26) USER MOD Single : B 82 THR OG1 : rot 180:sc= -0.0653 USER MOD Single : B 84 CYS SG : rot 180:sc= 0 USER MOD Single : B 85 HIS : no HD1:sc= -0.474 K(o=-0.47,f=-1.4) USER MOD Single : X 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 107 LYS NZ :NH3+ 158:sc= -0.894 (180deg=-1.52) USER MOD Single : X 109 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : X 111 LYS NZ :NH3+ -137:sc= -7.1! (180deg=-8.45!) USER MOD Single : X 112 THR OG1 : rot -19:sc= -0.22 USER MOD Single : Y 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : Y 107 LYS NZ :NH3+ 160:sc= -0.933 (180deg=-1.69) USER MOD Single : Y 109 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : Y 111 LYS NZ :NH3+ -144:sc= -7.34! (180deg=-8.6!) USER MOD Single : Y 112 THR OG1 : rot -21:sc= -0.369 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 0 -0.849 -2.766 -13.972 1.00 0.00 N ATOM 2 CA MET A 0 -1.163 -2.036 -15.233 1.00 0.00 C ATOM 3 C MET A 0 -2.322 -1.065 -14.995 1.00 0.00 C ATOM 4 O MET A 0 -3.280 -1.378 -14.316 1.00 0.00 O ATOM 5 CB MET A 0 -1.556 -3.039 -16.319 1.00 0.00 C ATOM 6 CG MET A 0 -0.324 -3.841 -16.743 1.00 0.00 C ATOM 7 SD MET A 0 -0.790 -5.030 -18.025 1.00 0.00 S ATOM 8 CE MET A 0 0.834 -5.805 -18.215 1.00 0.00 C ATOM 0 H1 MET A 0 0.094 -3.198 -14.046 1.00 0.00 H new ATOM 0 H2 MET A 0 -0.863 -2.101 -13.173 1.00 0.00 H new ATOM 0 H3 MET A 0 -1.559 -3.510 -13.816 1.00 0.00 H new ATOM 0 HA MET A 0 -0.284 -1.477 -15.552 1.00 0.00 H new ATOM 0 HB2 MET A 0 -2.329 -3.710 -15.946 1.00 0.00 H new ATOM 0 HB3 MET A 0 -1.975 -2.515 -17.178 1.00 0.00 H new ATOM 0 HG2 MET A 0 0.449 -3.170 -17.118 1.00 0.00 H new ATOM 0 HG3 MET A 0 0.097 -4.363 -15.884 1.00 0.00 H new ATOM 0 HE1 MET A 0 0.778 -6.586 -18.973 1.00 0.00 H new ATOM 0 HE2 MET A 0 1.562 -5.054 -18.521 1.00 0.00 H new ATOM 0 HE3 MET A 0 1.142 -6.243 -17.265 1.00 0.00 H new ATOM 20 N SER A 1 -2.239 0.111 -15.554 1.00 0.00 N ATOM 21 CA SER A 1 -3.331 1.110 -15.370 1.00 0.00 C ATOM 22 C SER A 1 -3.522 1.401 -13.877 1.00 0.00 C ATOM 23 O SER A 1 -4.577 1.820 -13.444 1.00 0.00 O ATOM 24 CB SER A 1 -4.631 0.559 -15.967 1.00 0.00 C ATOM 25 OG SER A 1 -4.327 -0.199 -17.131 1.00 0.00 O ATOM 0 H SER A 1 -1.459 0.425 -16.132 1.00 0.00 H new ATOM 0 HA SER A 1 -3.066 2.037 -15.879 1.00 0.00 H new ATOM 0 HB2 SER A 1 -5.145 -0.065 -15.236 1.00 0.00 H new ATOM 0 HB3 SER A 1 -5.306 1.378 -16.218 1.00 0.00 H new ATOM 0 HG SER A 1 -5.155 -0.555 -17.515 1.00 0.00 H new ATOM 31 N GLU A 2 -2.501 1.194 -13.094 1.00 0.00 N ATOM 32 CA GLU A 2 -2.600 1.469 -11.632 1.00 0.00 C ATOM 33 C GLU A 2 -2.529 2.977 -11.407 1.00 0.00 C ATOM 34 O GLU A 2 -2.326 3.445 -10.304 1.00 0.00 O ATOM 35 CB GLU A 2 -1.442 0.786 -10.900 1.00 0.00 C ATOM 36 CG GLU A 2 -0.111 1.308 -11.444 1.00 0.00 C ATOM 37 CD GLU A 2 1.040 0.540 -10.791 1.00 0.00 C ATOM 38 OE1 GLU A 2 1.363 0.849 -9.656 1.00 0.00 O ATOM 39 OE2 GLU A 2 1.577 -0.344 -11.437 1.00 0.00 O ATOM 0 H GLU A 2 -1.595 0.844 -13.405 1.00 0.00 H new ATOM 0 HA GLU A 2 -3.543 1.081 -11.247 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -1.510 0.980 -9.830 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -1.502 -0.294 -11.032 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -0.075 1.187 -12.527 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -0.014 2.374 -11.239 1.00 0.00 H new ATOM 46 N LEU A 3 -2.664 3.740 -12.455 1.00 0.00 N ATOM 47 CA LEU A 3 -2.571 5.219 -12.319 1.00 0.00 C ATOM 48 C LEU A 3 -3.633 5.716 -11.338 1.00 0.00 C ATOM 49 O LEU A 3 -3.411 6.652 -10.610 1.00 0.00 O ATOM 50 CB LEU A 3 -2.780 5.883 -13.688 1.00 0.00 C ATOM 51 CG LEU A 3 -2.680 7.411 -13.559 1.00 0.00 C ATOM 52 CD1 LEU A 3 -1.283 7.807 -13.049 1.00 0.00 C ATOM 53 CD2 LEU A 3 -2.935 8.048 -14.932 1.00 0.00 C ATOM 0 H LEU A 3 -2.835 3.402 -13.402 1.00 0.00 H new ATOM 0 HA LEU A 3 -1.582 5.481 -11.942 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -2.032 5.521 -14.394 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -3.756 5.608 -14.088 1.00 0.00 H new ATOM 0 HG LEU A 3 -3.425 7.766 -12.847 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -1.222 8.892 -12.961 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -1.110 7.353 -12.073 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -0.527 7.457 -13.751 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -2.866 9.133 -14.848 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -2.190 7.690 -15.643 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -3.931 7.774 -15.281 1.00 0.00 H new ATOM 65 N GLU A 4 -4.782 5.110 -11.315 1.00 0.00 N ATOM 66 CA GLU A 4 -5.846 5.575 -10.370 1.00 0.00 C ATOM 67 C GLU A 4 -5.332 5.459 -8.935 1.00 0.00 C ATOM 68 O GLU A 4 -5.578 6.309 -8.102 1.00 0.00 O ATOM 69 CB GLU A 4 -7.095 4.700 -10.532 1.00 0.00 C ATOM 70 CG GLU A 4 -8.187 5.172 -9.566 1.00 0.00 C ATOM 71 CD GLU A 4 -9.463 4.361 -9.798 1.00 0.00 C ATOM 72 OE1 GLU A 4 -9.480 3.573 -10.728 1.00 0.00 O ATOM 73 OE2 GLU A 4 -10.403 4.543 -9.041 1.00 0.00 O ATOM 0 H GLU A 4 -5.037 4.317 -11.903 1.00 0.00 H new ATOM 0 HA GLU A 4 -6.098 6.613 -10.589 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -7.457 4.753 -11.559 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -6.848 3.657 -10.335 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -7.851 5.054 -8.536 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -8.386 6.233 -9.717 1.00 0.00 H new ATOM 80 N LYS A 5 -4.631 4.409 -8.644 1.00 0.00 N ATOM 81 CA LYS A 5 -4.098 4.208 -7.270 1.00 0.00 C ATOM 82 C LYS A 5 -3.051 5.275 -6.947 1.00 0.00 C ATOM 83 O LYS A 5 -2.968 5.752 -5.837 1.00 0.00 O ATOM 84 CB LYS A 5 -3.442 2.829 -7.196 1.00 0.00 C ATOM 85 CG LYS A 5 -2.948 2.552 -5.772 1.00 0.00 C ATOM 86 CD LYS A 5 -2.220 1.202 -5.738 1.00 0.00 C ATOM 87 CE LYS A 5 -0.881 1.295 -6.495 1.00 0.00 C ATOM 88 NZ LYS A 5 0.051 0.257 -5.972 1.00 0.00 N ATOM 0 H LYS A 5 -4.399 3.669 -9.306 1.00 0.00 H new ATOM 0 HA LYS A 5 -4.915 4.283 -6.552 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -4.156 2.062 -7.496 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -2.607 2.778 -7.895 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -2.277 3.347 -5.447 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -3.789 2.541 -5.079 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -2.041 0.904 -4.705 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -2.847 0.432 -6.188 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -1.043 1.150 -7.563 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -0.447 2.287 -6.370 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 0.869 0.718 -5.526 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -0.442 -0.329 -5.268 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 0.377 -0.344 -6.756 1.00 0.00 H new ATOM 102 N ALA A 6 -2.220 5.611 -7.891 1.00 0.00 N ATOM 103 CA ALA A 6 -1.144 6.608 -7.620 1.00 0.00 C ATOM 104 C ALA A 6 -1.709 8.014 -7.415 1.00 0.00 C ATOM 105 O ALA A 6 -1.243 8.754 -6.576 1.00 0.00 O ATOM 106 CB ALA A 6 -0.163 6.621 -8.794 1.00 0.00 C ATOM 0 H ALA A 6 -2.237 5.239 -8.841 1.00 0.00 H new ATOM 0 HA ALA A 6 -0.637 6.315 -6.701 1.00 0.00 H new ATOM 0 HB1 ALA A 6 0.626 7.348 -8.601 1.00 0.00 H new ATOM 0 HB2 ALA A 6 0.277 5.631 -8.911 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -0.692 6.893 -9.707 1.00 0.00 H new ATOM 112 N MET A 7 -2.684 8.402 -8.176 1.00 0.00 N ATOM 113 CA MET A 7 -3.243 9.773 -8.016 1.00 0.00 C ATOM 114 C MET A 7 -3.944 9.881 -6.668 1.00 0.00 C ATOM 115 O MET A 7 -3.883 10.892 -5.993 1.00 0.00 O ATOM 116 CB MET A 7 -4.231 10.069 -9.149 1.00 0.00 C ATOM 117 CG MET A 7 -3.461 10.206 -10.467 1.00 0.00 C ATOM 118 SD MET A 7 -4.563 10.829 -11.761 1.00 0.00 S ATOM 119 CE MET A 7 -3.276 11.388 -12.908 1.00 0.00 C ATOM 0 H MET A 7 -3.121 7.834 -8.902 1.00 0.00 H new ATOM 0 HA MET A 7 -2.433 10.502 -8.058 1.00 0.00 H new ATOM 0 HB2 MET A 7 -4.966 9.268 -9.225 1.00 0.00 H new ATOM 0 HB3 MET A 7 -4.780 10.986 -8.938 1.00 0.00 H new ATOM 0 HG2 MET A 7 -2.618 10.885 -10.337 1.00 0.00 H new ATOM 0 HG3 MET A 7 -3.050 9.240 -10.761 1.00 0.00 H new ATOM 0 HE1 MET A 7 -3.730 11.651 -13.864 1.00 0.00 H new ATOM 0 HE2 MET A 7 -2.773 12.261 -12.493 1.00 0.00 H new ATOM 0 HE3 MET A 7 -2.551 10.589 -13.058 1.00 0.00 H new ATOM 129 N VAL A 8 -4.610 8.843 -6.280 1.00 0.00 N ATOM 130 CA VAL A 8 -5.335 8.856 -4.982 1.00 0.00 C ATOM 131 C VAL A 8 -4.333 8.866 -3.828 1.00 0.00 C ATOM 132 O VAL A 8 -4.565 9.464 -2.800 1.00 0.00 O ATOM 133 CB VAL A 8 -6.218 7.610 -4.882 1.00 0.00 C ATOM 134 CG1 VAL A 8 -6.793 7.497 -3.466 1.00 0.00 C ATOM 135 CG2 VAL A 8 -7.362 7.720 -5.892 1.00 0.00 C ATOM 0 H VAL A 8 -4.687 7.974 -6.808 1.00 0.00 H new ATOM 0 HA VAL A 8 -5.955 9.750 -4.924 1.00 0.00 H new ATOM 0 HB VAL A 8 -5.622 6.723 -5.099 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -7.421 6.609 -3.398 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -5.977 7.420 -2.747 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -7.390 8.382 -3.244 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -7.994 6.834 -5.824 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -7.956 8.607 -5.673 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -6.952 7.797 -6.899 1.00 0.00 H new ATOM 145 N ALA A 9 -3.244 8.172 -3.981 1.00 0.00 N ATOM 146 CA ALA A 9 -2.234 8.095 -2.884 1.00 0.00 C ATOM 147 C ALA A 9 -1.525 9.434 -2.681 1.00 0.00 C ATOM 148 O ALA A 9 -1.248 9.827 -1.568 1.00 0.00 O ATOM 149 CB ALA A 9 -1.200 7.031 -3.224 1.00 0.00 C ATOM 0 H ALA A 9 -3.005 7.649 -4.824 1.00 0.00 H new ATOM 0 HA ALA A 9 -2.756 7.840 -1.962 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -0.461 6.973 -2.425 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -1.694 6.065 -3.333 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -0.703 7.292 -4.159 1.00 0.00 H new ATOM 155 N LEU A 10 -1.207 10.132 -3.734 1.00 0.00 N ATOM 156 CA LEU A 10 -0.496 11.433 -3.565 1.00 0.00 C ATOM 157 C LEU A 10 -1.370 12.358 -2.734 1.00 0.00 C ATOM 158 O LEU A 10 -0.907 13.082 -1.875 1.00 0.00 O ATOM 159 CB LEU A 10 -0.285 12.076 -4.935 1.00 0.00 C ATOM 160 CG LEU A 10 0.709 11.257 -5.770 1.00 0.00 C ATOM 161 CD1 LEU A 10 0.591 11.674 -7.238 1.00 0.00 C ATOM 162 CD2 LEU A 10 2.147 11.512 -5.294 1.00 0.00 C ATOM 0 H LEU A 10 -1.406 9.863 -4.698 1.00 0.00 H new ATOM 0 HA LEU A 10 0.465 11.267 -3.078 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -1.238 12.146 -5.460 1.00 0.00 H new ATOM 0 HB3 LEU A 10 0.087 13.093 -4.812 1.00 0.00 H new ATOM 0 HG LEU A 10 0.479 10.198 -5.655 1.00 0.00 H new ATOM 0 HD11 LEU A 10 1.294 11.096 -7.838 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -0.424 11.487 -7.589 1.00 0.00 H new ATOM 0 HD13 LEU A 10 0.819 12.736 -7.334 1.00 0.00 H new ATOM 0 HD21 LEU A 10 2.839 10.924 -5.896 1.00 0.00 H new ATOM 0 HD22 LEU A 10 2.383 12.571 -5.400 1.00 0.00 H new ATOM 0 HD23 LEU A 10 2.241 11.223 -4.247 1.00 0.00 H new ATOM 174 N ILE A 11 -2.637 12.324 -2.992 1.00 0.00 N ATOM 175 CA ILE A 11 -3.587 13.176 -2.243 1.00 0.00 C ATOM 176 C ILE A 11 -3.707 12.691 -0.787 1.00 0.00 C ATOM 177 O ILE A 11 -3.815 13.486 0.126 1.00 0.00 O ATOM 178 CB ILE A 11 -4.937 13.140 -2.972 1.00 0.00 C ATOM 179 CG1 ILE A 11 -4.793 13.910 -4.299 1.00 0.00 C ATOM 180 CG2 ILE A 11 -6.019 13.779 -2.106 1.00 0.00 C ATOM 181 CD1 ILE A 11 -5.994 13.649 -5.217 1.00 0.00 C ATOM 0 H ILE A 11 -3.064 11.731 -3.704 1.00 0.00 H new ATOM 0 HA ILE A 11 -3.232 14.206 -2.203 1.00 0.00 H new ATOM 0 HB ILE A 11 -5.226 12.108 -3.171 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -4.710 14.978 -4.097 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -3.874 13.608 -4.801 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -6.973 13.748 -2.633 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -6.105 13.231 -1.168 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -5.753 14.815 -1.898 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -5.868 14.204 -6.147 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -6.060 12.583 -5.436 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -6.908 13.974 -4.721 1.00 0.00 H new ATOM 193 N ASP A 12 -3.701 11.401 -0.559 1.00 0.00 N ATOM 194 CA ASP A 12 -3.828 10.883 0.843 1.00 0.00 C ATOM 195 C ASP A 12 -2.674 11.390 1.726 1.00 0.00 C ATOM 196 O ASP A 12 -2.879 11.807 2.848 1.00 0.00 O ATOM 197 CB ASP A 12 -3.816 9.350 0.812 1.00 0.00 C ATOM 198 CG ASP A 12 -3.960 8.796 2.233 1.00 0.00 C ATOM 199 OD1 ASP A 12 -3.855 9.573 3.168 1.00 0.00 O ATOM 200 OD2 ASP A 12 -4.180 7.603 2.362 1.00 0.00 O ATOM 0 H ASP A 12 -3.614 10.684 -1.279 1.00 0.00 H new ATOM 0 HA ASP A 12 -4.765 11.244 1.267 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -4.630 8.984 0.186 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -2.887 8.994 0.367 1.00 0.00 H new ATOM 205 N VAL A 13 -1.466 11.348 1.233 1.00 0.00 N ATOM 206 CA VAL A 13 -0.296 11.816 2.043 1.00 0.00 C ATOM 207 C VAL A 13 -0.380 13.339 2.213 1.00 0.00 C ATOM 208 O VAL A 13 -0.084 13.875 3.262 1.00 0.00 O ATOM 209 CB VAL A 13 1.017 11.370 1.322 1.00 0.00 C ATOM 210 CG1 VAL A 13 1.931 12.556 0.984 1.00 0.00 C ATOM 211 CG2 VAL A 13 1.805 10.395 2.208 1.00 0.00 C ATOM 0 H VAL A 13 -1.234 11.008 0.299 1.00 0.00 H new ATOM 0 HA VAL A 13 -0.301 11.375 3.040 1.00 0.00 H new ATOM 0 HB VAL A 13 0.712 10.890 0.392 1.00 0.00 H new ATOM 0 HG11 VAL A 13 2.829 12.192 0.484 1.00 0.00 H new ATOM 0 HG12 VAL A 13 1.403 13.246 0.325 1.00 0.00 H new ATOM 0 HG13 VAL A 13 2.211 13.073 1.902 1.00 0.00 H new ATOM 0 HG21 VAL A 13 2.717 10.092 1.694 1.00 0.00 H new ATOM 0 HG22 VAL A 13 2.063 10.884 3.147 1.00 0.00 H new ATOM 0 HG23 VAL A 13 1.195 9.515 2.413 1.00 0.00 H new ATOM 221 N PHE A 14 -0.779 14.044 1.199 1.00 0.00 N ATOM 222 CA PHE A 14 -0.871 15.520 1.333 1.00 0.00 C ATOM 223 C PHE A 14 -1.712 15.854 2.563 1.00 0.00 C ATOM 224 O PHE A 14 -1.406 16.766 3.292 1.00 0.00 O ATOM 225 CB PHE A 14 -1.513 16.116 0.072 1.00 0.00 C ATOM 226 CG PHE A 14 -1.931 17.550 0.328 1.00 0.00 C ATOM 227 CD1 PHE A 14 -1.043 18.603 0.083 1.00 0.00 C ATOM 228 CD2 PHE A 14 -3.217 17.818 0.811 1.00 0.00 C ATOM 229 CE1 PHE A 14 -1.444 19.924 0.322 1.00 0.00 C ATOM 230 CE2 PHE A 14 -3.616 19.138 1.049 1.00 0.00 C ATOM 231 CZ PHE A 14 -2.729 20.191 0.804 1.00 0.00 C ATOM 0 H PHE A 14 -1.044 13.667 0.289 1.00 0.00 H new ATOM 0 HA PHE A 14 0.126 15.945 1.450 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -0.807 16.077 -0.758 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -2.380 15.523 -0.219 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -0.050 18.398 -0.290 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -3.902 17.005 1.000 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -0.759 20.738 0.134 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -4.609 19.343 1.422 1.00 0.00 H new ATOM 0 HZ PHE A 14 -3.036 21.210 0.987 1.00 0.00 H new ATOM 241 N HIS A 15 -2.762 15.128 2.803 1.00 0.00 N ATOM 242 CA HIS A 15 -3.597 15.417 4.000 1.00 0.00 C ATOM 243 C HIS A 15 -2.824 15.036 5.263 1.00 0.00 C ATOM 244 O HIS A 15 -3.124 15.496 6.347 1.00 0.00 O ATOM 245 CB HIS A 15 -4.897 14.612 3.943 1.00 0.00 C ATOM 246 CG HIS A 15 -5.813 15.186 2.896 1.00 0.00 C ATOM 247 ND1 HIS A 15 -6.049 14.548 1.686 1.00 0.00 N ATOM 248 CD2 HIS A 15 -6.571 16.332 2.871 1.00 0.00 C ATOM 249 CE1 HIS A 15 -6.918 15.307 0.991 1.00 0.00 C ATOM 250 NE2 HIS A 15 -7.265 16.402 1.669 1.00 0.00 N ATOM 0 H HIS A 15 -3.079 14.349 2.226 1.00 0.00 H new ATOM 0 HA HIS A 15 -3.835 16.481 4.017 1.00 0.00 H new ATOM 0 HB2 HIS A 15 -4.679 13.569 3.714 1.00 0.00 H new ATOM 0 HB3 HIS A 15 -5.388 14.629 4.916 1.00 0.00 H new ATOM 0 HD1 HIS A 15 -5.639 13.666 1.379 1.00 0.00 H new ATOM 0 HD2 HIS A 15 -6.620 17.065 3.663 1.00 0.00 H new ATOM 0 HE1 HIS A 15 -7.288 15.060 0.007 1.00 0.00 H new ATOM 259 N GLN A 16 -1.847 14.179 5.139 1.00 0.00 N ATOM 260 CA GLN A 16 -1.080 13.750 6.340 1.00 0.00 C ATOM 261 C GLN A 16 -0.415 14.968 7.002 1.00 0.00 C ATOM 262 O GLN A 16 -0.458 15.121 8.207 1.00 0.00 O ATOM 263 CB GLN A 16 0.001 12.755 5.897 1.00 0.00 C ATOM 264 CG GLN A 16 0.687 12.149 7.115 1.00 0.00 C ATOM 265 CD GLN A 16 1.761 11.160 6.657 1.00 0.00 C ATOM 266 OE1 GLN A 16 1.823 10.810 5.496 1.00 0.00 O ATOM 267 NE2 GLN A 16 2.618 10.694 7.524 1.00 0.00 N ATOM 0 H GLN A 16 -1.548 13.759 4.259 1.00 0.00 H new ATOM 0 HA GLN A 16 -1.752 13.283 7.059 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -0.446 11.966 5.292 1.00 0.00 H new ATOM 0 HB3 GLN A 16 0.736 13.260 5.270 1.00 0.00 H new ATOM 0 HG2 GLN A 16 1.137 12.935 7.721 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -0.045 11.642 7.743 1.00 0.00 H new ATOM 0 HE21 GLN A 16 2.567 10.987 8.500 1.00 0.00 H new ATOM 0 HE22 GLN A 16 3.339 10.037 7.226 1.00 0.00 H new ATOM 276 N TYR A 17 0.205 15.834 6.236 1.00 0.00 N ATOM 277 CA TYR A 17 0.879 17.037 6.847 1.00 0.00 C ATOM 278 C TYR A 17 -0.010 18.281 6.776 1.00 0.00 C ATOM 279 O TYR A 17 0.027 19.130 7.640 1.00 0.00 O ATOM 280 CB TYR A 17 2.174 17.314 6.091 1.00 0.00 C ATOM 281 CG TYR A 17 3.160 16.234 6.426 1.00 0.00 C ATOM 282 CD1 TYR A 17 3.119 15.023 5.740 1.00 0.00 C ATOM 283 CD2 TYR A 17 4.100 16.443 7.435 1.00 0.00 C ATOM 284 CE1 TYR A 17 4.019 14.008 6.062 1.00 0.00 C ATOM 285 CE2 TYR A 17 5.010 15.436 7.762 1.00 0.00 C ATOM 286 CZ TYR A 17 4.971 14.210 7.076 1.00 0.00 C ATOM 287 OH TYR A 17 5.863 13.208 7.398 1.00 0.00 O ATOM 0 H TYR A 17 0.276 15.766 5.221 1.00 0.00 H new ATOM 0 HA TYR A 17 1.077 16.819 7.897 1.00 0.00 H new ATOM 0 HB2 TYR A 17 1.988 17.338 5.017 1.00 0.00 H new ATOM 0 HB3 TYR A 17 2.573 18.290 6.367 1.00 0.00 H new ATOM 0 HD1 TYR A 17 2.390 14.870 4.958 1.00 0.00 H new ATOM 0 HD2 TYR A 17 4.124 17.384 7.964 1.00 0.00 H new ATOM 0 HE1 TYR A 17 3.985 13.067 5.533 1.00 0.00 H new ATOM 0 HE2 TYR A 17 5.742 15.599 8.540 1.00 0.00 H new ATOM 0 HH TYR A 17 5.697 12.427 6.830 1.00 0.00 H new ATOM 297 N SER A 18 -0.776 18.419 5.743 1.00 0.00 N ATOM 298 CA SER A 18 -1.632 19.629 5.608 1.00 0.00 C ATOM 299 C SER A 18 -2.620 19.718 6.778 1.00 0.00 C ATOM 300 O SER A 18 -2.837 20.775 7.336 1.00 0.00 O ATOM 301 CB SER A 18 -2.393 19.560 4.283 1.00 0.00 C ATOM 302 OG SER A 18 -2.750 20.875 3.886 1.00 0.00 O ATOM 0 H SER A 18 -0.851 17.747 4.980 1.00 0.00 H new ATOM 0 HA SER A 18 -1.002 20.519 5.622 1.00 0.00 H new ATOM 0 HB2 SER A 18 -1.775 19.091 3.518 1.00 0.00 H new ATOM 0 HB3 SER A 18 -3.286 18.945 4.393 1.00 0.00 H new ATOM 0 HG SER A 18 -3.672 20.877 3.553 1.00 0.00 H new ATOM 308 N GLY A 19 -3.223 18.623 7.150 1.00 0.00 N ATOM 309 CA GLY A 19 -4.203 18.659 8.276 1.00 0.00 C ATOM 310 C GLY A 19 -3.468 18.796 9.609 1.00 0.00 C ATOM 311 O GLY A 19 -4.069 19.049 10.634 1.00 0.00 O ATOM 0 H GLY A 19 -3.081 17.706 6.726 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -4.890 19.495 8.143 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -4.803 17.749 8.275 1.00 0.00 H new ATOM 315 N ARG A 20 -2.176 18.636 9.606 1.00 0.00 N ATOM 316 CA ARG A 20 -1.408 18.763 10.875 1.00 0.00 C ATOM 317 C ARG A 20 -1.608 20.166 11.449 1.00 0.00 C ATOM 318 O ARG A 20 -1.794 20.342 12.637 1.00 0.00 O ATOM 319 CB ARG A 20 0.071 18.557 10.574 1.00 0.00 C ATOM 320 CG ARG A 20 0.886 18.623 11.862 1.00 0.00 C ATOM 321 CD ARG A 20 2.350 18.412 11.509 1.00 0.00 C ATOM 322 NE ARG A 20 3.180 18.470 12.743 1.00 0.00 N ATOM 323 CZ ARG A 20 4.413 18.043 12.718 1.00 0.00 C ATOM 324 NH1 ARG A 20 4.913 17.566 11.611 1.00 0.00 N ATOM 325 NH2 ARG A 20 5.145 18.092 13.797 1.00 0.00 N ATOM 0 H ARG A 20 -1.617 18.423 8.780 1.00 0.00 H new ATOM 0 HA ARG A 20 -1.754 18.020 11.594 1.00 0.00 H new ATOM 0 HB2 ARG A 20 0.220 17.592 10.090 1.00 0.00 H new ATOM 0 HB3 ARG A 20 0.417 19.320 9.877 1.00 0.00 H new ATOM 0 HG2 ARG A 20 0.748 19.588 12.350 1.00 0.00 H new ATOM 0 HG3 ARG A 20 0.550 17.860 12.564 1.00 0.00 H new ATOM 0 HD2 ARG A 20 2.480 17.448 11.018 1.00 0.00 H new ATOM 0 HD3 ARG A 20 2.677 19.176 10.804 1.00 0.00 H new ATOM 0 HE ARG A 20 2.786 18.843 13.607 1.00 0.00 H new ATOM 0 HH11 ARG A 20 4.340 17.528 10.768 1.00 0.00 H new ATOM 0 HH12 ARG A 20 5.876 17.232 11.589 1.00 0.00 H new ATOM 0 HH21 ARG A 20 4.754 18.465 14.662 1.00 0.00 H new ATOM 0 HH22 ARG A 20 6.108 17.758 13.775 1.00 0.00 H new ATOM 339 N GLU A 21 -1.556 21.168 10.605 1.00 0.00 N ATOM 340 CA GLU A 21 -1.723 22.583 11.075 1.00 0.00 C ATOM 341 C GLU A 21 -3.019 23.174 10.513 1.00 0.00 C ATOM 342 O GLU A 21 -3.669 22.595 9.666 1.00 0.00 O ATOM 343 CB GLU A 21 -0.542 23.423 10.588 1.00 0.00 C ATOM 344 CG GLU A 21 0.724 23.010 11.340 1.00 0.00 C ATOM 345 CD GLU A 21 1.916 23.809 10.811 1.00 0.00 C ATOM 346 OE1 GLU A 21 1.708 24.645 9.947 1.00 0.00 O ATOM 347 OE2 GLU A 21 3.017 23.575 11.282 1.00 0.00 O ATOM 0 H GLU A 21 -1.404 21.067 9.602 1.00 0.00 H new ATOM 0 HA GLU A 21 -1.764 22.591 12.164 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -0.402 23.285 9.516 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -0.744 24.482 10.749 1.00 0.00 H new ATOM 0 HG2 GLU A 21 0.599 23.187 12.408 1.00 0.00 H new ATOM 0 HG3 GLU A 21 0.903 21.942 11.213 1.00 0.00 H new ATOM 354 N GLY A 22 -3.401 24.320 11.005 1.00 0.00 N ATOM 355 CA GLY A 22 -4.661 24.968 10.543 1.00 0.00 C ATOM 356 C GLY A 22 -4.649 25.188 9.025 1.00 0.00 C ATOM 357 O GLY A 22 -5.684 25.155 8.389 1.00 0.00 O ATOM 0 H GLY A 22 -2.888 24.841 11.716 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -5.514 24.346 10.816 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -4.788 25.924 11.050 1.00 0.00 H new ATOM 361 N ASP A 23 -3.509 25.427 8.429 1.00 0.00 N ATOM 362 CA ASP A 23 -3.496 25.658 6.959 1.00 0.00 C ATOM 363 C ASP A 23 -3.713 24.321 6.233 1.00 0.00 C ATOM 364 O ASP A 23 -2.831 23.801 5.584 1.00 0.00 O ATOM 365 CB ASP A 23 -2.144 26.274 6.567 1.00 0.00 C ATOM 366 CG ASP A 23 -2.281 27.088 5.276 1.00 0.00 C ATOM 367 OD1 ASP A 23 -3.309 27.722 5.103 1.00 0.00 O ATOM 368 OD2 ASP A 23 -1.352 27.069 4.487 1.00 0.00 O ATOM 0 H ASP A 23 -2.601 25.471 8.891 1.00 0.00 H new ATOM 0 HA ASP A 23 -4.295 26.342 6.674 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -1.782 26.914 7.371 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -1.404 25.485 6.430 1.00 0.00 H new ATOM 373 N LYS A 24 -4.889 23.765 6.353 1.00 0.00 N ATOM 374 CA LYS A 24 -5.192 22.461 5.687 1.00 0.00 C ATOM 375 C LYS A 24 -5.269 22.637 4.166 1.00 0.00 C ATOM 376 O LYS A 24 -4.835 21.791 3.412 1.00 0.00 O ATOM 377 CB LYS A 24 -6.540 21.947 6.203 1.00 0.00 C ATOM 378 CG LYS A 24 -6.793 20.521 5.695 1.00 0.00 C ATOM 379 CD LYS A 24 -8.266 20.158 5.901 1.00 0.00 C ATOM 380 CE LYS A 24 -8.647 20.334 7.373 1.00 0.00 C ATOM 381 NZ LYS A 24 -7.577 19.762 8.238 1.00 0.00 N ATOM 0 H LYS A 24 -5.661 24.161 6.889 1.00 0.00 H new ATOM 0 HA LYS A 24 -4.398 21.750 5.916 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -6.549 21.960 7.293 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -7.341 22.607 5.870 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -6.534 20.449 4.639 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -6.156 19.815 6.228 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -8.896 20.791 5.276 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -8.442 19.128 5.592 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -8.785 21.391 7.599 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -9.596 19.838 7.575 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -7.991 19.445 9.138 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -7.136 18.953 7.755 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -6.857 20.488 8.425 1.00 0.00 H new ATOM 395 N HIS A 25 -5.851 23.708 3.706 1.00 0.00 N ATOM 396 CA HIS A 25 -5.985 23.907 2.233 1.00 0.00 C ATOM 397 C HIS A 25 -4.686 24.453 1.636 1.00 0.00 C ATOM 398 O HIS A 25 -4.511 24.461 0.433 1.00 0.00 O ATOM 399 CB HIS A 25 -7.125 24.889 1.961 1.00 0.00 C ATOM 400 CG HIS A 25 -6.802 26.225 2.573 1.00 0.00 C ATOM 401 ND1 HIS A 25 -6.421 26.359 3.902 1.00 0.00 N ATOM 402 CD2 HIS A 25 -6.810 27.497 2.056 1.00 0.00 C ATOM 403 CE1 HIS A 25 -6.218 27.669 4.135 1.00 0.00 C ATOM 404 NE2 HIS A 25 -6.442 28.402 3.044 1.00 0.00 N ATOM 0 H HIS A 25 -6.240 24.454 4.283 1.00 0.00 H new ATOM 0 HA HIS A 25 -6.200 22.945 1.767 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -7.276 24.997 0.887 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -8.056 24.504 2.376 1.00 0.00 H new ATOM 0 HD2 HIS A 25 -7.063 27.754 1.038 1.00 0.00 H new ATOM 0 HE1 HIS A 25 -5.912 28.076 5.087 1.00 0.00 H new ATOM 0 HE2 HIS A 25 -6.360 29.415 2.954 1.00 0.00 H new ATOM 413 N LYS A 26 -3.779 24.925 2.452 1.00 0.00 N ATOM 414 CA LYS A 26 -2.497 25.488 1.913 1.00 0.00 C ATOM 415 C LYS A 26 -1.325 25.059 2.782 1.00 0.00 C ATOM 416 O LYS A 26 -1.466 24.775 3.954 1.00 0.00 O ATOM 417 CB LYS A 26 -2.595 27.016 1.876 1.00 0.00 C ATOM 418 CG LYS A 26 -3.478 27.428 0.697 1.00 0.00 C ATOM 419 CD LYS A 26 -3.895 28.896 0.836 1.00 0.00 C ATOM 420 CE LYS A 26 -2.657 29.780 1.006 1.00 0.00 C ATOM 421 NZ LYS A 26 -2.225 29.743 2.430 1.00 0.00 N ATOM 0 H LYS A 26 -3.867 24.946 3.468 1.00 0.00 H new ATOM 0 HA LYS A 26 -2.333 25.109 0.904 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -3.015 27.389 2.810 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -1.602 27.455 1.775 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -2.939 27.283 -0.239 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -4.363 26.793 0.657 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -4.456 29.208 -0.045 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -4.557 29.015 1.694 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -1.853 29.429 0.360 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -2.882 30.804 0.708 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -2.155 30.714 2.797 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -2.921 29.211 2.990 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -1.297 29.279 2.499 1.00 0.00 H new ATOM 435 N LEU A 27 -0.166 24.988 2.190 1.00 0.00 N ATOM 436 CA LEU A 27 1.051 24.555 2.930 1.00 0.00 C ATOM 437 C LEU A 27 2.026 25.711 3.080 1.00 0.00 C ATOM 438 O LEU A 27 2.442 26.307 2.114 1.00 0.00 O ATOM 439 CB LEU A 27 1.748 23.462 2.124 1.00 0.00 C ATOM 440 CG LEU A 27 0.882 22.201 2.071 1.00 0.00 C ATOM 441 CD1 LEU A 27 1.580 21.161 1.190 1.00 0.00 C ATOM 442 CD2 LEU A 27 0.676 21.638 3.491 1.00 0.00 C ATOM 0 H LEU A 27 -0.009 25.216 1.208 1.00 0.00 H new ATOM 0 HA LEU A 27 0.752 24.198 3.916 1.00 0.00 H new ATOM 0 HB2 LEU A 27 1.946 23.818 1.113 1.00 0.00 H new ATOM 0 HB3 LEU A 27 2.713 23.229 2.574 1.00 0.00 H new ATOM 0 HG LEU A 27 -0.095 22.444 1.652 1.00 0.00 H new ATOM 0 HD11 LEU A 27 0.973 20.257 1.144 1.00 0.00 H new ATOM 0 HD12 LEU A 27 1.709 21.563 0.185 1.00 0.00 H new ATOM 0 HD13 LEU A 27 2.556 20.922 1.613 1.00 0.00 H new ATOM 0 HD21 LEU A 27 0.059 20.741 3.441 1.00 0.00 H new ATOM 0 HD22 LEU A 27 1.643 21.389 3.927 1.00 0.00 H new ATOM 0 HD23 LEU A 27 0.180 22.386 4.110 1.00 0.00 H new ATOM 454 N LYS A 28 2.434 26.003 4.280 1.00 0.00 N ATOM 455 CA LYS A 28 3.433 27.086 4.477 1.00 0.00 C ATOM 456 C LYS A 28 4.812 26.424 4.484 1.00 0.00 C ATOM 457 O LYS A 28 4.930 25.271 4.847 1.00 0.00 O ATOM 458 CB LYS A 28 3.174 27.783 5.814 1.00 0.00 C ATOM 459 CG LYS A 28 4.177 28.922 5.998 1.00 0.00 C ATOM 460 CD LYS A 28 3.921 29.621 7.333 1.00 0.00 C ATOM 461 CE LYS A 28 4.868 30.814 7.474 1.00 0.00 C ATOM 462 NZ LYS A 28 4.641 31.477 8.789 1.00 0.00 N ATOM 0 H LYS A 28 2.120 25.539 5.132 1.00 0.00 H new ATOM 0 HA LYS A 28 3.369 27.834 3.687 1.00 0.00 H new ATOM 0 HB2 LYS A 28 2.156 28.172 5.842 1.00 0.00 H new ATOM 0 HB3 LYS A 28 3.265 27.069 6.632 1.00 0.00 H new ATOM 0 HG2 LYS A 28 5.194 28.532 5.970 1.00 0.00 H new ATOM 0 HG3 LYS A 28 4.086 29.636 5.179 1.00 0.00 H new ATOM 0 HD2 LYS A 28 2.885 29.957 7.387 1.00 0.00 H new ATOM 0 HD3 LYS A 28 4.073 28.923 8.156 1.00 0.00 H new ATOM 0 HE2 LYS A 28 5.903 30.481 7.397 1.00 0.00 H new ATOM 0 HE3 LYS A 28 4.700 31.523 6.663 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 5.285 32.288 8.885 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 3.657 31.808 8.846 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 4.823 30.798 9.556 1.00 0.00 H new ATOM 476 N LYS A 29 5.858 27.116 4.083 1.00 0.00 N ATOM 477 CA LYS A 29 7.218 26.478 4.081 1.00 0.00 C ATOM 478 C LYS A 29 7.395 25.699 5.377 1.00 0.00 C ATOM 479 O LYS A 29 8.188 24.788 5.476 1.00 0.00 O ATOM 480 CB LYS A 29 8.321 27.543 3.974 1.00 0.00 C ATOM 481 CG LYS A 29 8.414 28.364 5.265 1.00 0.00 C ATOM 482 CD LYS A 29 9.340 29.560 5.034 1.00 0.00 C ATOM 483 CE LYS A 29 9.580 30.280 6.361 1.00 0.00 C ATOM 484 NZ LYS A 29 8.294 30.853 6.848 1.00 0.00 N ATOM 0 H LYS A 29 5.830 28.083 3.761 1.00 0.00 H new ATOM 0 HA LYS A 29 7.296 25.813 3.221 1.00 0.00 H new ATOM 0 HB2 LYS A 29 9.279 27.062 3.774 1.00 0.00 H new ATOM 0 HB3 LYS A 29 8.114 28.204 3.132 1.00 0.00 H new ATOM 0 HG2 LYS A 29 7.424 28.708 5.564 1.00 0.00 H new ATOM 0 HG3 LYS A 29 8.795 27.745 6.077 1.00 0.00 H new ATOM 0 HD2 LYS A 29 10.288 29.224 4.613 1.00 0.00 H new ATOM 0 HD3 LYS A 29 8.895 30.244 4.312 1.00 0.00 H new ATOM 0 HE2 LYS A 29 9.984 29.585 7.097 1.00 0.00 H new ATOM 0 HE3 LYS A 29 10.318 31.071 6.231 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 8.447 31.833 7.161 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 7.595 30.841 6.078 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 7.941 30.286 7.645 1.00 0.00 H new ATOM 498 N SER A 30 6.645 26.073 6.367 1.00 0.00 N ATOM 499 CA SER A 30 6.729 25.377 7.682 1.00 0.00 C ATOM 500 C SER A 30 6.147 23.961 7.567 1.00 0.00 C ATOM 501 O SER A 30 6.768 22.998 7.974 1.00 0.00 O ATOM 502 CB SER A 30 5.947 26.171 8.729 1.00 0.00 C ATOM 503 OG SER A 30 6.006 25.491 9.975 1.00 0.00 O ATOM 0 H SER A 30 5.970 26.837 6.326 1.00 0.00 H new ATOM 0 HA SER A 30 7.774 25.306 7.983 1.00 0.00 H new ATOM 0 HB2 SER A 30 6.364 27.173 8.828 1.00 0.00 H new ATOM 0 HB3 SER A 30 4.910 26.287 8.414 1.00 0.00 H new ATOM 0 HG SER A 30 5.507 25.998 10.649 1.00 0.00 H new ATOM 509 N GLU A 31 4.970 23.812 7.006 1.00 0.00 N ATOM 510 CA GLU A 31 4.394 22.446 6.872 1.00 0.00 C ATOM 511 C GLU A 31 5.206 21.683 5.840 1.00 0.00 C ATOM 512 O GLU A 31 5.382 20.491 5.932 1.00 0.00 O ATOM 513 CB GLU A 31 2.943 22.513 6.401 1.00 0.00 C ATOM 514 CG GLU A 31 2.057 23.074 7.509 1.00 0.00 C ATOM 515 CD GLU A 31 0.617 23.123 7.005 1.00 0.00 C ATOM 516 OE1 GLU A 31 0.325 23.992 6.204 1.00 0.00 O ATOM 517 OE2 GLU A 31 -0.166 22.285 7.420 1.00 0.00 O ATOM 0 H GLU A 31 4.393 24.570 6.641 1.00 0.00 H new ATOM 0 HA GLU A 31 4.425 21.950 7.842 1.00 0.00 H new ATOM 0 HB2 GLU A 31 2.869 23.141 5.513 1.00 0.00 H new ATOM 0 HB3 GLU A 31 2.598 21.519 6.118 1.00 0.00 H new ATOM 0 HG2 GLU A 31 2.125 22.450 8.400 1.00 0.00 H new ATOM 0 HG3 GLU A 31 2.392 24.072 7.793 1.00 0.00 H new ATOM 524 N LEU A 32 5.694 22.373 4.850 1.00 0.00 N ATOM 525 CA LEU A 32 6.496 21.705 3.795 1.00 0.00 C ATOM 526 C LEU A 32 7.717 21.061 4.449 1.00 0.00 C ATOM 527 O LEU A 32 8.124 19.983 4.094 1.00 0.00 O ATOM 528 CB LEU A 32 6.935 22.744 2.757 1.00 0.00 C ATOM 529 CG LEU A 32 7.766 22.078 1.654 1.00 0.00 C ATOM 530 CD1 LEU A 32 6.936 20.988 0.952 1.00 0.00 C ATOM 531 CD2 LEU A 32 8.176 23.145 0.633 1.00 0.00 C ATOM 0 H LEU A 32 5.570 23.378 4.727 1.00 0.00 H new ATOM 0 HA LEU A 32 5.904 20.939 3.294 1.00 0.00 H new ATOM 0 HB2 LEU A 32 6.059 23.225 2.321 1.00 0.00 H new ATOM 0 HB3 LEU A 32 7.521 23.526 3.241 1.00 0.00 H new ATOM 0 HG LEU A 32 8.652 21.618 2.092 1.00 0.00 H new ATOM 0 HD11 LEU A 32 7.535 20.521 0.170 1.00 0.00 H new ATOM 0 HD12 LEU A 32 6.637 20.233 1.679 1.00 0.00 H new ATOM 0 HD13 LEU A 32 6.047 21.437 0.508 1.00 0.00 H new ATOM 0 HD21 LEU A 32 8.768 22.684 -0.157 1.00 0.00 H new ATOM 0 HD22 LEU A 32 7.283 23.597 0.201 1.00 0.00 H new ATOM 0 HD23 LEU A 32 8.769 23.914 1.128 1.00 0.00 H new ATOM 543 N LYS A 33 8.299 21.725 5.403 1.00 0.00 N ATOM 544 CA LYS A 33 9.498 21.168 6.108 1.00 0.00 C ATOM 545 C LYS A 33 9.141 19.834 6.780 1.00 0.00 C ATOM 546 O LYS A 33 9.926 18.907 6.793 1.00 0.00 O ATOM 547 CB LYS A 33 9.936 22.198 7.170 1.00 0.00 C ATOM 548 CG LYS A 33 11.035 21.650 8.101 1.00 0.00 C ATOM 549 CD LYS A 33 12.344 21.476 7.335 1.00 0.00 C ATOM 550 CE LYS A 33 13.475 21.182 8.323 1.00 0.00 C ATOM 551 NZ LYS A 33 13.130 19.991 9.150 1.00 0.00 N ATOM 0 H LYS A 33 7.997 22.641 5.733 1.00 0.00 H new ATOM 0 HA LYS A 33 10.306 20.984 5.400 1.00 0.00 H new ATOM 0 HB2 LYS A 33 10.300 23.097 6.672 1.00 0.00 H new ATOM 0 HB3 LYS A 33 9.072 22.492 7.766 1.00 0.00 H new ATOM 0 HG2 LYS A 33 11.184 22.332 8.938 1.00 0.00 H new ATOM 0 HG3 LYS A 33 10.722 20.694 8.520 1.00 0.00 H new ATOM 0 HD2 LYS A 33 12.252 20.661 6.617 1.00 0.00 H new ATOM 0 HD3 LYS A 33 12.568 22.378 6.766 1.00 0.00 H new ATOM 0 HE2 LYS A 33 14.404 21.003 7.782 1.00 0.00 H new ATOM 0 HE3 LYS A 33 13.642 22.046 8.966 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 13.007 20.281 10.141 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 12.246 19.569 8.800 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 13.896 19.291 9.087 1.00 0.00 H new ATOM 565 N GLU A 34 7.979 19.738 7.362 1.00 0.00 N ATOM 566 CA GLU A 34 7.587 18.484 8.055 1.00 0.00 C ATOM 567 C GLU A 34 7.330 17.375 7.041 1.00 0.00 C ATOM 568 O GLU A 34 7.661 16.236 7.262 1.00 0.00 O ATOM 569 CB GLU A 34 6.336 18.737 8.897 1.00 0.00 C ATOM 570 CG GLU A 34 6.678 19.685 10.050 1.00 0.00 C ATOM 571 CD GLU A 34 7.597 18.973 11.044 1.00 0.00 C ATOM 572 OE1 GLU A 34 7.461 17.769 11.189 1.00 0.00 O ATOM 573 OE2 GLU A 34 8.423 19.643 11.642 1.00 0.00 O ATOM 0 H GLU A 34 7.280 20.481 7.386 1.00 0.00 H new ATOM 0 HA GLU A 34 8.400 18.167 8.708 1.00 0.00 H new ATOM 0 HB2 GLU A 34 5.550 19.169 8.278 1.00 0.00 H new ATOM 0 HB3 GLU A 34 5.952 17.795 9.289 1.00 0.00 H new ATOM 0 HG2 GLU A 34 7.166 20.581 9.665 1.00 0.00 H new ATOM 0 HG3 GLU A 34 5.766 20.009 10.551 1.00 0.00 H new ATOM 580 N LEU A 35 6.725 17.689 5.940 1.00 0.00 N ATOM 581 CA LEU A 35 6.458 16.636 4.931 1.00 0.00 C ATOM 582 C LEU A 35 7.775 16.085 4.401 1.00 0.00 C ATOM 583 O LEU A 35 7.988 14.897 4.331 1.00 0.00 O ATOM 584 CB LEU A 35 5.666 17.244 3.770 1.00 0.00 C ATOM 585 CG LEU A 35 5.423 16.173 2.666 1.00 0.00 C ATOM 586 CD1 LEU A 35 4.050 16.390 2.014 1.00 0.00 C ATOM 587 CD2 LEU A 35 6.514 16.252 1.573 1.00 0.00 C ATOM 0 H LEU A 35 6.404 18.625 5.693 1.00 0.00 H new ATOM 0 HA LEU A 35 5.887 15.830 5.391 1.00 0.00 H new ATOM 0 HB2 LEU A 35 4.712 17.627 4.132 1.00 0.00 H new ATOM 0 HB3 LEU A 35 6.211 18.090 3.352 1.00 0.00 H new ATOM 0 HG LEU A 35 5.459 15.191 3.137 1.00 0.00 H new ATOM 0 HD11 LEU A 35 3.890 15.636 1.243 1.00 0.00 H new ATOM 0 HD12 LEU A 35 3.270 16.306 2.771 1.00 0.00 H new ATOM 0 HD13 LEU A 35 4.014 17.382 1.564 1.00 0.00 H new ATOM 0 HD21 LEU A 35 6.323 15.494 0.813 1.00 0.00 H new ATOM 0 HD22 LEU A 35 6.497 17.240 1.113 1.00 0.00 H new ATOM 0 HD23 LEU A 35 7.492 16.077 2.022 1.00 0.00 H new ATOM 599 N ILE A 36 8.641 16.954 3.993 1.00 0.00 N ATOM 600 CA ILE A 36 9.937 16.518 3.410 1.00 0.00 C ATOM 601 C ILE A 36 10.881 15.980 4.490 1.00 0.00 C ATOM 602 O ILE A 36 11.559 14.992 4.288 1.00 0.00 O ATOM 603 CB ILE A 36 10.573 17.724 2.712 1.00 0.00 C ATOM 604 CG1 ILE A 36 9.580 18.296 1.697 1.00 0.00 C ATOM 605 CG2 ILE A 36 11.845 17.300 1.973 1.00 0.00 C ATOM 606 CD1 ILE A 36 10.191 19.527 1.024 1.00 0.00 C ATOM 0 H ILE A 36 8.509 17.964 4.037 1.00 0.00 H new ATOM 0 HA ILE A 36 9.760 15.710 2.700 1.00 0.00 H new ATOM 0 HB ILE A 36 10.826 18.474 3.461 1.00 0.00 H new ATOM 0 HG12 ILE A 36 9.335 17.543 0.948 1.00 0.00 H new ATOM 0 HG13 ILE A 36 8.649 18.565 2.195 1.00 0.00 H new ATOM 0 HG21 ILE A 36 12.286 18.167 1.482 1.00 0.00 H new ATOM 0 HG22 ILE A 36 12.558 16.884 2.685 1.00 0.00 H new ATOM 0 HG23 ILE A 36 11.597 16.546 1.226 1.00 0.00 H new ATOM 0 HD11 ILE A 36 9.484 19.935 0.301 1.00 0.00 H new ATOM 0 HD12 ILE A 36 10.414 20.281 1.779 1.00 0.00 H new ATOM 0 HD13 ILE A 36 11.110 19.243 0.512 1.00 0.00 H new ATOM 618 N ASN A 37 10.965 16.630 5.614 1.00 0.00 N ATOM 619 CA ASN A 37 11.904 16.158 6.669 1.00 0.00 C ATOM 620 C ASN A 37 11.433 14.840 7.291 1.00 0.00 C ATOM 621 O ASN A 37 12.227 13.990 7.640 1.00 0.00 O ATOM 622 CB ASN A 37 12.001 17.223 7.766 1.00 0.00 C ATOM 623 CG ASN A 37 13.086 16.829 8.771 1.00 0.00 C ATOM 624 OD1 ASN A 37 14.157 16.212 8.350 1.00 0.00 O flip ATOM 625 ND2 ASN A 37 12.959 17.086 9.952 1.00 0.00 N flip ATOM 0 H ASN A 37 10.427 17.464 5.849 1.00 0.00 H new ATOM 0 HA ASN A 37 12.877 15.989 6.209 1.00 0.00 H new ATOM 0 HB2 ASN A 37 12.234 18.193 7.326 1.00 0.00 H new ATOM 0 HB3 ASN A 37 11.042 17.325 8.273 1.00 0.00 H new ATOM 0 HD21 ASN A 37 12.123 17.568 10.282 1.00 0.00 H new ATOM 0 HD22 ASN A 37 13.689 16.820 10.613 1.00 0.00 H new ATOM 632 N ASN A 38 10.154 14.693 7.485 1.00 0.00 N ATOM 633 CA ASN A 38 9.618 13.456 8.155 1.00 0.00 C ATOM 634 C ASN A 38 9.073 12.411 7.172 1.00 0.00 C ATOM 635 O ASN A 38 9.158 11.227 7.431 1.00 0.00 O ATOM 636 CB ASN A 38 8.489 13.853 9.106 1.00 0.00 C ATOM 637 CG ASN A 38 8.013 12.617 9.875 1.00 0.00 C ATOM 638 OD1 ASN A 38 8.853 11.644 10.113 1.00 0.00 O flip ATOM 639 ND2 ASN A 38 6.864 12.533 10.260 1.00 0.00 N flip ATOM 0 H ASN A 38 9.446 15.374 7.211 1.00 0.00 H new ATOM 0 HA ASN A 38 10.457 13.001 8.682 1.00 0.00 H new ATOM 0 HB2 ASN A 38 8.837 14.616 9.802 1.00 0.00 H new ATOM 0 HB3 ASN A 38 7.661 14.287 8.545 1.00 0.00 H new ATOM 0 HD21 ASN A 38 6.207 13.291 10.075 1.00 0.00 H new ATOM 0 HD22 ASN A 38 6.556 11.704 10.768 1.00 0.00 H new ATOM 646 N GLU A 39 8.473 12.804 6.080 1.00 0.00 N ATOM 647 CA GLU A 39 7.895 11.766 5.166 1.00 0.00 C ATOM 648 C GLU A 39 8.995 11.151 4.302 1.00 0.00 C ATOM 649 O GLU A 39 8.785 10.149 3.650 1.00 0.00 O ATOM 650 CB GLU A 39 6.819 12.391 4.262 1.00 0.00 C ATOM 651 CG GLU A 39 5.934 11.286 3.683 1.00 0.00 C ATOM 652 CD GLU A 39 4.868 11.911 2.786 1.00 0.00 C ATOM 653 OE1 GLU A 39 3.842 12.305 3.311 1.00 0.00 O ATOM 654 OE2 GLU A 39 5.100 11.995 1.591 1.00 0.00 O ATOM 0 H GLU A 39 8.358 13.773 5.783 1.00 0.00 H new ATOM 0 HA GLU A 39 7.440 10.985 5.775 1.00 0.00 H new ATOM 0 HB2 GLU A 39 6.213 13.095 4.833 1.00 0.00 H new ATOM 0 HB3 GLU A 39 7.289 12.955 3.456 1.00 0.00 H new ATOM 0 HG2 GLU A 39 6.539 10.582 3.112 1.00 0.00 H new ATOM 0 HG3 GLU A 39 5.463 10.722 4.488 1.00 0.00 H new ATOM 661 N LEU A 40 10.167 11.731 4.308 1.00 0.00 N ATOM 662 CA LEU A 40 11.299 11.179 3.497 1.00 0.00 C ATOM 663 C LEU A 40 12.423 10.756 4.446 1.00 0.00 C ATOM 664 O LEU A 40 13.577 11.076 4.241 1.00 0.00 O ATOM 665 CB LEU A 40 11.819 12.260 2.549 1.00 0.00 C ATOM 666 CG LEU A 40 10.645 12.928 1.819 1.00 0.00 C ATOM 667 CD1 LEU A 40 11.182 13.998 0.856 1.00 0.00 C ATOM 668 CD2 LEU A 40 9.845 11.877 1.033 1.00 0.00 C ATOM 0 H LEU A 40 10.392 12.570 4.843 1.00 0.00 H new ATOM 0 HA LEU A 40 10.957 10.322 2.917 1.00 0.00 H new ATOM 0 HB2 LEU A 40 12.382 13.007 3.109 1.00 0.00 H new ATOM 0 HB3 LEU A 40 12.505 11.821 1.825 1.00 0.00 H new ATOM 0 HG LEU A 40 9.988 13.396 2.552 1.00 0.00 H new ATOM 0 HD11 LEU A 40 10.349 14.472 0.338 1.00 0.00 H new ATOM 0 HD12 LEU A 40 11.734 14.750 1.419 1.00 0.00 H new ATOM 0 HD13 LEU A 40 11.845 13.532 0.127 1.00 0.00 H new ATOM 0 HD21 LEU A 40 9.015 12.361 0.519 1.00 0.00 H new ATOM 0 HD22 LEU A 40 10.495 11.398 0.301 1.00 0.00 H new ATOM 0 HD23 LEU A 40 9.457 11.126 1.721 1.00 0.00 H new ATOM 680 N SER A 41 12.089 10.055 5.495 1.00 0.00 N ATOM 681 CA SER A 41 13.127 9.627 6.475 1.00 0.00 C ATOM 682 C SER A 41 14.181 8.752 5.790 1.00 0.00 C ATOM 683 O SER A 41 15.359 8.864 6.071 1.00 0.00 O ATOM 684 CB SER A 41 12.462 8.828 7.597 1.00 0.00 C ATOM 685 OG SER A 41 11.584 9.679 8.323 1.00 0.00 O ATOM 0 H SER A 41 11.138 9.759 5.716 1.00 0.00 H new ATOM 0 HA SER A 41 13.614 10.513 6.883 1.00 0.00 H new ATOM 0 HB2 SER A 41 11.909 7.986 7.181 1.00 0.00 H new ATOM 0 HB3 SER A 41 13.219 8.414 8.263 1.00 0.00 H new ATOM 0 HG SER A 41 10.865 9.988 7.733 1.00 0.00 H new ATOM 691 N HIS A 42 13.772 7.874 4.902 1.00 0.00 N ATOM 692 CA HIS A 42 14.753 6.977 4.204 1.00 0.00 C ATOM 693 C HIS A 42 14.594 7.096 2.687 1.00 0.00 C ATOM 694 O HIS A 42 15.368 6.543 1.931 1.00 0.00 O ATOM 695 CB HIS A 42 14.500 5.528 4.623 1.00 0.00 C ATOM 696 CG HIS A 42 15.559 4.647 4.022 1.00 0.00 C ATOM 697 ND1 HIS A 42 15.331 3.890 2.880 1.00 0.00 N ATOM 698 CD2 HIS A 42 16.860 4.396 4.384 1.00 0.00 C ATOM 699 CE1 HIS A 42 16.468 3.228 2.599 1.00 0.00 C ATOM 700 NE2 HIS A 42 17.428 3.502 3.484 1.00 0.00 N ATOM 0 H HIS A 42 12.798 7.739 4.630 1.00 0.00 H new ATOM 0 HA HIS A 42 15.764 7.275 4.481 1.00 0.00 H new ATOM 0 HB2 HIS A 42 14.514 5.444 5.710 1.00 0.00 H new ATOM 0 HB3 HIS A 42 13.512 5.208 4.291 1.00 0.00 H new ATOM 0 HD2 HIS A 42 17.364 4.827 5.237 1.00 0.00 H new ATOM 0 HE1 HIS A 42 16.589 2.558 1.761 1.00 0.00 H new ATOM 0 HE2 HIS A 42 18.379 3.133 3.497 1.00 0.00 H new ATOM 709 N PHE A 43 13.603 7.807 2.229 1.00 0.00 N ATOM 710 CA PHE A 43 13.414 7.948 0.758 1.00 0.00 C ATOM 711 C PHE A 43 14.653 8.643 0.168 1.00 0.00 C ATOM 712 O PHE A 43 15.227 8.203 -0.808 1.00 0.00 O ATOM 713 CB PHE A 43 12.155 8.804 0.503 1.00 0.00 C ATOM 714 CG PHE A 43 11.443 8.394 -0.776 1.00 0.00 C ATOM 715 CD1 PHE A 43 12.157 7.920 -1.889 1.00 0.00 C ATOM 716 CD2 PHE A 43 10.049 8.502 -0.844 1.00 0.00 C ATOM 717 CE1 PHE A 43 11.475 7.557 -3.057 1.00 0.00 C ATOM 718 CE2 PHE A 43 9.372 8.141 -2.012 1.00 0.00 C ATOM 719 CZ PHE A 43 10.083 7.668 -3.118 1.00 0.00 C ATOM 0 H PHE A 43 12.918 8.295 2.806 1.00 0.00 H new ATOM 0 HA PHE A 43 13.289 6.972 0.289 1.00 0.00 H new ATOM 0 HB2 PHE A 43 11.472 8.706 1.347 1.00 0.00 H new ATOM 0 HB3 PHE A 43 12.437 9.855 0.441 1.00 0.00 H new ATOM 0 HD1 PHE A 43 13.233 7.835 -1.844 1.00 0.00 H new ATOM 0 HD2 PHE A 43 9.495 8.865 0.009 1.00 0.00 H new ATOM 0 HE1 PHE A 43 12.025 7.191 -3.911 1.00 0.00 H new ATOM 0 HE2 PHE A 43 8.297 8.228 -2.060 1.00 0.00 H new ATOM 0 HZ PHE A 43 9.557 7.388 -4.019 1.00 0.00 H new ATOM 729 N LEU A 44 15.066 9.731 0.759 1.00 0.00 N ATOM 730 CA LEU A 44 16.253 10.460 0.229 1.00 0.00 C ATOM 731 C LEU A 44 16.813 11.409 1.277 1.00 0.00 C ATOM 732 O LEU A 44 16.358 11.464 2.402 1.00 0.00 O ATOM 733 CB LEU A 44 15.867 11.266 -1.018 1.00 0.00 C ATOM 734 CG LEU A 44 14.597 12.131 -0.759 1.00 0.00 C ATOM 735 CD1 LEU A 44 14.996 13.583 -0.456 1.00 0.00 C ATOM 736 CD2 LEU A 44 13.692 12.124 -2.000 1.00 0.00 C ATOM 0 H LEU A 44 14.634 10.146 1.584 1.00 0.00 H new ATOM 0 HA LEU A 44 17.012 9.722 -0.030 1.00 0.00 H new ATOM 0 HB2 LEU A 44 16.696 11.911 -1.309 1.00 0.00 H new ATOM 0 HB3 LEU A 44 15.684 10.587 -1.851 1.00 0.00 H new ATOM 0 HG LEU A 44 14.065 11.708 0.093 1.00 0.00 H new ATOM 0 HD11 LEU A 44 14.100 14.177 -0.277 1.00 0.00 H new ATOM 0 HD12 LEU A 44 15.631 13.609 0.429 1.00 0.00 H new ATOM 0 HD13 LEU A 44 15.541 13.995 -1.305 1.00 0.00 H new ATOM 0 HD21 LEU A 44 12.807 12.731 -1.809 1.00 0.00 H new ATOM 0 HD22 LEU A 44 14.237 12.534 -2.850 1.00 0.00 H new ATOM 0 HD23 LEU A 44 13.389 11.101 -2.223 1.00 0.00 H new ATOM 748 N GLU A 45 17.812 12.153 0.904 1.00 0.00 N ATOM 749 CA GLU A 45 18.430 13.101 1.856 1.00 0.00 C ATOM 750 C GLU A 45 17.353 14.020 2.429 1.00 0.00 C ATOM 751 O GLU A 45 16.961 14.996 1.822 1.00 0.00 O ATOM 752 CB GLU A 45 19.478 13.935 1.120 1.00 0.00 C ATOM 753 CG GLU A 45 20.247 14.792 2.123 1.00 0.00 C ATOM 754 CD GLU A 45 21.119 13.891 3.000 1.00 0.00 C ATOM 755 OE1 GLU A 45 21.384 12.775 2.586 1.00 0.00 O ATOM 756 OE2 GLU A 45 21.504 14.332 4.070 1.00 0.00 O ATOM 0 H GLU A 45 18.228 12.142 -0.027 1.00 0.00 H new ATOM 0 HA GLU A 45 18.904 12.552 2.669 1.00 0.00 H new ATOM 0 HB2 GLU A 45 20.165 13.282 0.582 1.00 0.00 H new ATOM 0 HB3 GLU A 45 18.996 14.571 0.378 1.00 0.00 H new ATOM 0 HG2 GLU A 45 20.868 15.517 1.597 1.00 0.00 H new ATOM 0 HG3 GLU A 45 19.551 15.358 2.743 1.00 0.00 H new ATOM 763 N GLU A 46 16.883 13.712 3.602 1.00 0.00 N ATOM 764 CA GLU A 46 15.837 14.561 4.239 1.00 0.00 C ATOM 765 C GLU A 46 16.420 15.957 4.499 1.00 0.00 C ATOM 766 O GLU A 46 17.619 16.150 4.483 1.00 0.00 O ATOM 767 CB GLU A 46 15.371 13.905 5.555 1.00 0.00 C ATOM 768 CG GLU A 46 16.341 14.225 6.701 1.00 0.00 C ATOM 769 CD GLU A 46 16.031 13.328 7.901 1.00 0.00 C ATOM 770 OE1 GLU A 46 15.001 13.536 8.521 1.00 0.00 O ATOM 771 OE2 GLU A 46 16.830 12.448 8.180 1.00 0.00 O ATOM 0 H GLU A 46 17.178 12.905 4.152 1.00 0.00 H new ATOM 0 HA GLU A 46 14.974 14.656 3.580 1.00 0.00 H new ATOM 0 HB2 GLU A 46 14.372 14.260 5.809 1.00 0.00 H new ATOM 0 HB3 GLU A 46 15.302 12.825 5.423 1.00 0.00 H new ATOM 0 HG2 GLU A 46 17.369 14.070 6.374 1.00 0.00 H new ATOM 0 HG3 GLU A 46 16.251 15.274 6.985 1.00 0.00 H new ATOM 778 N ILE A 47 15.583 16.932 4.722 1.00 0.00 N ATOM 779 CA ILE A 47 16.093 18.311 4.962 1.00 0.00 C ATOM 780 C ILE A 47 16.566 18.444 6.407 1.00 0.00 C ATOM 781 O ILE A 47 15.942 17.950 7.325 1.00 0.00 O ATOM 782 CB ILE A 47 14.978 19.339 4.726 1.00 0.00 C ATOM 783 CG1 ILE A 47 14.302 19.107 3.357 1.00 0.00 C ATOM 784 CG2 ILE A 47 15.568 20.760 4.798 1.00 0.00 C ATOM 785 CD1 ILE A 47 15.113 19.743 2.222 1.00 0.00 C ATOM 0 H ILE A 47 14.568 16.834 4.748 1.00 0.00 H new ATOM 0 HA ILE A 47 16.919 18.495 4.274 1.00 0.00 H new ATOM 0 HB ILE A 47 14.220 19.223 5.500 1.00 0.00 H new ATOM 0 HG12 ILE A 47 14.197 18.037 3.177 1.00 0.00 H new ATOM 0 HG13 ILE A 47 13.297 19.528 3.369 1.00 0.00 H new ATOM 0 HG21 ILE A 47 14.777 21.491 4.631 1.00 0.00 H new ATOM 0 HG22 ILE A 47 16.009 20.921 5.782 1.00 0.00 H new ATOM 0 HG23 ILE A 47 16.336 20.874 4.033 1.00 0.00 H new ATOM 0 HD11 ILE A 47 14.612 19.563 1.271 1.00 0.00 H new ATOM 0 HD12 ILE A 47 15.195 20.817 2.391 1.00 0.00 H new ATOM 0 HD13 ILE A 47 16.110 19.303 2.196 1.00 0.00 H new ATOM 797 N LYS A 48 17.665 19.122 6.608 1.00 0.00 N ATOM 798 CA LYS A 48 18.208 19.321 7.984 1.00 0.00 C ATOM 799 C LYS A 48 18.121 20.808 8.338 1.00 0.00 C ATOM 800 O LYS A 48 18.037 21.179 9.492 1.00 0.00 O ATOM 801 CB LYS A 48 19.676 18.861 8.007 1.00 0.00 C ATOM 802 CG LYS A 48 19.853 17.628 7.086 1.00 0.00 C ATOM 803 CD LYS A 48 20.302 18.058 5.679 1.00 0.00 C ATOM 804 CE LYS A 48 20.711 16.824 4.875 1.00 0.00 C ATOM 805 NZ LYS A 48 22.005 16.300 5.395 1.00 0.00 N ATOM 0 H LYS A 48 18.217 19.552 5.866 1.00 0.00 H new ATOM 0 HA LYS A 48 17.635 18.743 8.709 1.00 0.00 H new ATOM 0 HB2 LYS A 48 20.326 19.671 7.675 1.00 0.00 H new ATOM 0 HB3 LYS A 48 19.973 18.611 9.026 1.00 0.00 H new ATOM 0 HG2 LYS A 48 20.590 16.950 7.516 1.00 0.00 H new ATOM 0 HG3 LYS A 48 18.914 17.079 7.021 1.00 0.00 H new ATOM 0 HD2 LYS A 48 19.493 18.584 5.172 1.00 0.00 H new ATOM 0 HD3 LYS A 48 21.139 18.753 5.749 1.00 0.00 H new ATOM 0 HE2 LYS A 48 19.940 16.057 4.948 1.00 0.00 H new ATOM 0 HE3 LYS A 48 20.807 17.080 3.820 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 22.135 15.319 5.076 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 22.786 16.887 5.038 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 21.998 16.328 6.435 1.00 0.00 H new ATOM 819 N GLU A 49 18.143 21.657 7.339 1.00 0.00 N ATOM 820 CA GLU A 49 18.067 23.135 7.577 1.00 0.00 C ATOM 821 C GLU A 49 16.857 23.724 6.861 1.00 0.00 C ATOM 822 O GLU A 49 16.469 23.287 5.795 1.00 0.00 O ATOM 823 CB GLU A 49 19.321 23.819 7.031 1.00 0.00 C ATOM 824 CG GLU A 49 20.530 23.478 7.892 1.00 0.00 C ATOM 825 CD GLU A 49 20.367 24.096 9.282 1.00 0.00 C ATOM 826 OE1 GLU A 49 20.239 25.307 9.360 1.00 0.00 O ATOM 827 OE2 GLU A 49 20.376 23.348 10.246 1.00 0.00 O ATOM 0 H GLU A 49 18.211 21.387 6.358 1.00 0.00 H new ATOM 0 HA GLU A 49 17.983 23.301 8.651 1.00 0.00 H new ATOM 0 HB2 GLU A 49 19.498 23.502 6.003 1.00 0.00 H new ATOM 0 HB3 GLU A 49 19.174 24.899 7.011 1.00 0.00 H new ATOM 0 HG2 GLU A 49 20.635 22.396 7.975 1.00 0.00 H new ATOM 0 HG3 GLU A 49 21.440 23.852 7.422 1.00 0.00 H new ATOM 834 N GLN A 50 16.282 24.735 7.437 1.00 0.00 N ATOM 835 CA GLN A 50 15.115 25.398 6.807 1.00 0.00 C ATOM 836 C GLN A 50 15.588 26.152 5.561 1.00 0.00 C ATOM 837 O GLN A 50 14.808 26.458 4.687 1.00 0.00 O ATOM 838 CB GLN A 50 14.497 26.381 7.810 1.00 0.00 C ATOM 839 CG GLN A 50 13.193 26.958 7.250 1.00 0.00 C ATOM 840 CD GLN A 50 12.148 25.847 7.118 1.00 0.00 C ATOM 841 OE1 GLN A 50 12.319 24.722 7.758 1.00 0.00 O flip ATOM 842 NE2 GLN A 50 11.161 26.008 6.428 1.00 0.00 N flip ATOM 0 H GLN A 50 16.574 25.135 8.328 1.00 0.00 H new ATOM 0 HA GLN A 50 14.367 24.658 6.521 1.00 0.00 H new ATOM 0 HB2 GLN A 50 14.303 25.874 8.755 1.00 0.00 H new ATOM 0 HB3 GLN A 50 15.200 27.188 8.020 1.00 0.00 H new ATOM 0 HG2 GLN A 50 12.821 27.744 7.907 1.00 0.00 H new ATOM 0 HG3 GLN A 50 13.375 27.416 6.278 1.00 0.00 H new ATOM 0 HE21 GLN A 50 11.026 26.887 5.928 1.00 0.00 H new ATOM 0 HE22 GLN A 50 10.467 25.265 6.349 1.00 0.00 H new ATOM 851 N GLU A 51 16.860 26.472 5.476 1.00 0.00 N ATOM 852 CA GLU A 51 17.357 27.226 4.281 1.00 0.00 C ATOM 853 C GLU A 51 17.112 26.430 3.002 1.00 0.00 C ATOM 854 O GLU A 51 16.745 26.982 1.989 1.00 0.00 O ATOM 855 CB GLU A 51 18.858 27.506 4.438 1.00 0.00 C ATOM 856 CG GLU A 51 19.657 26.217 4.214 1.00 0.00 C ATOM 857 CD GLU A 51 21.098 26.418 4.685 1.00 0.00 C ATOM 858 OE1 GLU A 51 21.511 27.561 4.795 1.00 0.00 O ATOM 859 OE2 GLU A 51 21.765 25.425 4.927 1.00 0.00 O ATOM 0 H GLU A 51 17.568 26.246 6.175 1.00 0.00 H new ATOM 0 HA GLU A 51 16.814 28.168 4.212 1.00 0.00 H new ATOM 0 HB2 GLU A 51 19.171 28.267 3.723 1.00 0.00 H new ATOM 0 HB3 GLU A 51 19.061 27.901 5.433 1.00 0.00 H new ATOM 0 HG2 GLU A 51 19.197 25.393 4.759 1.00 0.00 H new ATOM 0 HG3 GLU A 51 19.643 25.948 3.158 1.00 0.00 H new ATOM 866 N VAL A 52 17.309 25.144 3.033 1.00 0.00 N ATOM 867 CA VAL A 52 17.076 24.340 1.805 1.00 0.00 C ATOM 868 C VAL A 52 15.631 24.506 1.399 1.00 0.00 C ATOM 869 O VAL A 52 15.309 24.615 0.240 1.00 0.00 O ATOM 870 CB VAL A 52 17.355 22.870 2.087 1.00 0.00 C ATOM 871 CG1 VAL A 52 17.141 22.053 0.813 1.00 0.00 C ATOM 872 CG2 VAL A 52 18.794 22.711 2.570 1.00 0.00 C ATOM 0 H VAL A 52 17.619 24.618 3.850 1.00 0.00 H new ATOM 0 HA VAL A 52 17.738 24.678 1.008 1.00 0.00 H new ATOM 0 HB VAL A 52 16.674 22.511 2.859 1.00 0.00 H new ATOM 0 HG11 VAL A 52 17.341 21.001 1.017 1.00 0.00 H new ATOM 0 HG12 VAL A 52 16.111 22.167 0.476 1.00 0.00 H new ATOM 0 HG13 VAL A 52 17.818 22.407 0.036 1.00 0.00 H new ATOM 0 HG21 VAL A 52 18.996 21.659 2.772 1.00 0.00 H new ATOM 0 HG22 VAL A 52 19.478 23.070 1.801 1.00 0.00 H new ATOM 0 HG23 VAL A 52 18.938 23.290 3.482 1.00 0.00 H new ATOM 882 N VAL A 53 14.760 24.520 2.355 1.00 0.00 N ATOM 883 CA VAL A 53 13.325 24.680 2.048 1.00 0.00 C ATOM 884 C VAL A 53 13.098 26.034 1.394 1.00 0.00 C ATOM 885 O VAL A 53 12.297 26.164 0.505 1.00 0.00 O ATOM 886 CB VAL A 53 12.522 24.579 3.339 1.00 0.00 C ATOM 887 CG1 VAL A 53 11.035 24.651 3.012 1.00 0.00 C ATOM 888 CG2 VAL A 53 12.840 23.248 4.035 1.00 0.00 C ATOM 0 H VAL A 53 14.983 24.426 3.346 1.00 0.00 H new ATOM 0 HA VAL A 53 13.001 23.896 1.363 1.00 0.00 H new ATOM 0 HB VAL A 53 12.786 25.402 4.004 1.00 0.00 H new ATOM 0 HG11 VAL A 53 10.456 24.579 3.933 1.00 0.00 H new ATOM 0 HG12 VAL A 53 10.816 25.598 2.519 1.00 0.00 H new ATOM 0 HG13 VAL A 53 10.768 23.827 2.350 1.00 0.00 H new ATOM 0 HG21 VAL A 53 12.266 23.174 4.959 1.00 0.00 H new ATOM 0 HG22 VAL A 53 12.575 22.421 3.376 1.00 0.00 H new ATOM 0 HG23 VAL A 53 13.905 23.203 4.265 1.00 0.00 H new ATOM 898 N ASP A 54 13.794 27.042 1.841 1.00 0.00 N ATOM 899 CA ASP A 54 13.633 28.401 1.250 1.00 0.00 C ATOM 900 C ASP A 54 14.030 28.363 -0.227 1.00 0.00 C ATOM 901 O ASP A 54 13.418 28.978 -1.073 1.00 0.00 O ATOM 902 CB ASP A 54 14.527 29.391 1.999 1.00 0.00 C ATOM 903 CG ASP A 54 14.303 30.803 1.454 1.00 0.00 C ATOM 904 OD1 ASP A 54 13.711 30.922 0.394 1.00 0.00 O ATOM 905 OD2 ASP A 54 14.725 31.742 2.109 1.00 0.00 O ATOM 0 H ASP A 54 14.475 26.982 2.598 1.00 0.00 H new ATOM 0 HA ASP A 54 12.593 28.717 1.337 1.00 0.00 H new ATOM 0 HB2 ASP A 54 14.303 29.363 3.065 1.00 0.00 H new ATOM 0 HB3 ASP A 54 15.574 29.109 1.885 1.00 0.00 H new ATOM 910 N LYS A 55 15.061 27.645 -0.539 1.00 0.00 N ATOM 911 CA LYS A 55 15.502 27.554 -1.959 1.00 0.00 C ATOM 912 C LYS A 55 14.400 26.851 -2.739 1.00 0.00 C ATOM 913 O LYS A 55 14.055 27.214 -3.851 1.00 0.00 O ATOM 914 CB LYS A 55 16.800 26.747 -2.048 1.00 0.00 C ATOM 915 CG LYS A 55 17.289 26.721 -3.498 1.00 0.00 C ATOM 916 CD LYS A 55 18.591 25.914 -3.592 1.00 0.00 C ATOM 917 CE LYS A 55 19.697 26.577 -2.751 1.00 0.00 C ATOM 918 NZ LYS A 55 19.680 26.004 -1.375 1.00 0.00 N ATOM 0 H LYS A 55 15.623 27.113 0.126 1.00 0.00 H new ATOM 0 HA LYS A 55 15.686 28.547 -2.369 1.00 0.00 H new ATOM 0 HB2 LYS A 55 17.560 27.190 -1.405 1.00 0.00 H new ATOM 0 HB3 LYS A 55 16.634 25.731 -1.691 1.00 0.00 H new ATOM 0 HG2 LYS A 55 16.528 26.278 -4.140 1.00 0.00 H new ATOM 0 HG3 LYS A 55 17.454 27.738 -3.854 1.00 0.00 H new ATOM 0 HD2 LYS A 55 18.421 24.896 -3.242 1.00 0.00 H new ATOM 0 HD3 LYS A 55 18.909 25.845 -4.632 1.00 0.00 H new ATOM 0 HE2 LYS A 55 20.670 26.412 -3.214 1.00 0.00 H new ATOM 0 HE3 LYS A 55 19.542 27.655 -2.710 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 19.743 26.773 -0.678 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 18.796 25.477 -1.230 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 20.489 25.362 -1.256 1.00 0.00 H new ATOM 932 N VAL A 56 13.832 25.853 -2.133 1.00 0.00 N ATOM 933 CA VAL A 56 12.732 25.103 -2.780 1.00 0.00 C ATOM 934 C VAL A 56 11.533 26.036 -2.909 1.00 0.00 C ATOM 935 O VAL A 56 10.743 25.927 -3.823 1.00 0.00 O ATOM 936 CB VAL A 56 12.379 23.885 -1.920 1.00 0.00 C ATOM 937 CG1 VAL A 56 11.107 23.222 -2.448 1.00 0.00 C ATOM 938 CG2 VAL A 56 13.535 22.879 -1.974 1.00 0.00 C ATOM 0 H VAL A 56 14.088 25.521 -1.203 1.00 0.00 H new ATOM 0 HA VAL A 56 13.028 24.753 -3.769 1.00 0.00 H new ATOM 0 HB VAL A 56 12.213 24.207 -0.892 1.00 0.00 H new ATOM 0 HG11 VAL A 56 10.864 22.357 -1.830 1.00 0.00 H new ATOM 0 HG12 VAL A 56 10.284 23.935 -2.413 1.00 0.00 H new ATOM 0 HG13 VAL A 56 11.265 22.900 -3.477 1.00 0.00 H new ATOM 0 HG21 VAL A 56 13.290 22.010 -1.364 1.00 0.00 H new ATOM 0 HG22 VAL A 56 13.696 22.565 -3.005 1.00 0.00 H new ATOM 0 HG23 VAL A 56 14.442 23.346 -1.591 1.00 0.00 H new ATOM 948 N MET A 57 11.405 26.971 -2.006 1.00 0.00 N ATOM 949 CA MET A 57 10.266 27.926 -2.091 1.00 0.00 C ATOM 950 C MET A 57 10.434 28.753 -3.357 1.00 0.00 C ATOM 951 O MET A 57 9.485 29.088 -4.021 1.00 0.00 O ATOM 952 CB MET A 57 10.226 28.843 -0.848 1.00 0.00 C ATOM 953 CG MET A 57 9.420 28.195 0.316 1.00 0.00 C ATOM 954 SD MET A 57 8.035 29.298 0.756 1.00 0.00 S ATOM 955 CE MET A 57 6.640 28.135 0.692 1.00 0.00 C ATOM 0 H MET A 57 12.037 27.113 -1.218 1.00 0.00 H new ATOM 0 HA MET A 57 9.325 27.377 -2.124 1.00 0.00 H new ATOM 0 HB2 MET A 57 11.243 29.051 -0.516 1.00 0.00 H new ATOM 0 HB3 MET A 57 9.776 29.799 -1.115 1.00 0.00 H new ATOM 0 HG2 MET A 57 9.043 27.217 0.016 1.00 0.00 H new ATOM 0 HG3 MET A 57 10.066 28.036 1.180 1.00 0.00 H new ATOM 0 HE1 MET A 57 5.862 28.535 0.042 1.00 0.00 H new ATOM 0 HE2 MET A 57 6.983 27.177 0.301 1.00 0.00 H new ATOM 0 HE3 MET A 57 6.237 27.994 1.695 1.00 0.00 H new ATOM 965 N GLU A 58 11.633 29.067 -3.728 1.00 0.00 N ATOM 966 CA GLU A 58 11.802 29.850 -4.973 1.00 0.00 C ATOM 967 C GLU A 58 11.122 29.060 -6.091 1.00 0.00 C ATOM 968 O GLU A 58 10.465 29.611 -6.951 1.00 0.00 O ATOM 969 CB GLU A 58 13.292 30.026 -5.282 1.00 0.00 C ATOM 970 CG GLU A 58 13.458 30.847 -6.564 1.00 0.00 C ATOM 971 CD GLU A 58 14.947 31.023 -6.870 1.00 0.00 C ATOM 972 OE1 GLU A 58 15.753 30.619 -6.047 1.00 0.00 O ATOM 973 OE2 GLU A 58 15.255 31.565 -7.918 1.00 0.00 O ATOM 0 H GLU A 58 12.491 28.822 -3.235 1.00 0.00 H new ATOM 0 HA GLU A 58 11.361 30.842 -4.875 1.00 0.00 H new ATOM 0 HB2 GLU A 58 13.789 30.526 -4.451 1.00 0.00 H new ATOM 0 HB3 GLU A 58 13.767 29.052 -5.398 1.00 0.00 H new ATOM 0 HG2 GLU A 58 12.962 30.346 -7.396 1.00 0.00 H new ATOM 0 HG3 GLU A 58 12.982 31.821 -6.449 1.00 0.00 H new ATOM 980 N THR A 59 11.272 27.763 -6.071 1.00 0.00 N ATOM 981 CA THR A 59 10.632 26.918 -7.119 1.00 0.00 C ATOM 982 C THR A 59 9.136 26.695 -6.832 1.00 0.00 C ATOM 983 O THR A 59 8.317 26.766 -7.727 1.00 0.00 O ATOM 984 CB THR A 59 11.348 25.563 -7.171 1.00 0.00 C ATOM 985 OG1 THR A 59 12.745 25.776 -7.324 1.00 0.00 O ATOM 986 CG2 THR A 59 10.831 24.735 -8.351 1.00 0.00 C ATOM 0 H THR A 59 11.811 27.252 -5.372 1.00 0.00 H new ATOM 0 HA THR A 59 10.716 27.434 -8.075 1.00 0.00 H new ATOM 0 HB THR A 59 11.152 25.022 -6.245 1.00 0.00 H new ATOM 0 HG1 THR A 59 13.206 24.912 -7.356 1.00 0.00 H new ATOM 0 HG21 THR A 59 11.348 23.776 -8.376 1.00 0.00 H new ATOM 0 HG22 THR A 59 9.760 24.568 -8.237 1.00 0.00 H new ATOM 0 HG23 THR A 59 11.017 25.272 -9.281 1.00 0.00 H new ATOM 994 N LEU A 60 8.769 26.388 -5.612 1.00 0.00 N ATOM 995 CA LEU A 60 7.325 26.119 -5.310 1.00 0.00 C ATOM 996 C LEU A 60 6.592 27.402 -4.943 1.00 0.00 C ATOM 997 O LEU A 60 5.380 27.464 -4.999 1.00 0.00 O ATOM 998 CB LEU A 60 7.221 25.145 -4.138 1.00 0.00 C ATOM 999 CG LEU A 60 8.141 23.944 -4.363 1.00 0.00 C ATOM 1000 CD1 LEU A 60 7.836 22.885 -3.303 1.00 0.00 C ATOM 1001 CD2 LEU A 60 7.917 23.361 -5.766 1.00 0.00 C ATOM 0 H LEU A 60 9.401 26.312 -4.815 1.00 0.00 H new ATOM 0 HA LEU A 60 6.867 25.694 -6.203 1.00 0.00 H new ATOM 0 HB2 LEU A 60 7.492 25.651 -3.211 1.00 0.00 H new ATOM 0 HB3 LEU A 60 6.191 24.807 -4.028 1.00 0.00 H new ATOM 0 HG LEU A 60 9.181 24.259 -4.283 1.00 0.00 H new ATOM 0 HD11 LEU A 60 8.486 22.023 -3.453 1.00 0.00 H new ATOM 0 HD12 LEU A 60 8.009 23.302 -2.311 1.00 0.00 H new ATOM 0 HD13 LEU A 60 6.795 22.574 -3.389 1.00 0.00 H new ATOM 0 HD21 LEU A 60 8.577 22.507 -5.915 1.00 0.00 H new ATOM 0 HD22 LEU A 60 6.880 23.040 -5.865 1.00 0.00 H new ATOM 0 HD23 LEU A 60 8.134 24.122 -6.515 1.00 0.00 H new ATOM 1013 N ASP A 61 7.294 28.433 -4.582 1.00 0.00 N ATOM 1014 CA ASP A 61 6.588 29.700 -4.237 1.00 0.00 C ATOM 1015 C ASP A 61 6.277 30.393 -5.554 1.00 0.00 C ATOM 1016 O ASP A 61 6.755 31.470 -5.849 1.00 0.00 O ATOM 1017 CB ASP A 61 7.465 30.586 -3.343 1.00 0.00 C ATOM 1018 CG ASP A 61 6.596 31.641 -2.659 1.00 0.00 C ATOM 1019 OD1 ASP A 61 5.446 31.771 -3.042 1.00 0.00 O ATOM 1020 OD2 ASP A 61 7.096 32.301 -1.764 1.00 0.00 O ATOM 0 H ASP A 61 8.311 28.459 -4.510 1.00 0.00 H new ATOM 0 HA ASP A 61 5.674 29.500 -3.677 1.00 0.00 H new ATOM 0 HB2 ASP A 61 7.972 29.977 -2.595 1.00 0.00 H new ATOM 0 HB3 ASP A 61 8.239 31.069 -3.939 1.00 0.00 H new ATOM 1025 N GLU A 62 5.500 29.732 -6.360 1.00 0.00 N ATOM 1026 CA GLU A 62 5.151 30.265 -7.702 1.00 0.00 C ATOM 1027 C GLU A 62 4.436 31.608 -7.578 1.00 0.00 C ATOM 1028 O GLU A 62 4.669 32.515 -8.352 1.00 0.00 O ATOM 1029 CB GLU A 62 4.219 29.268 -8.382 1.00 0.00 C ATOM 1030 CG GLU A 62 4.848 27.874 -8.341 1.00 0.00 C ATOM 1031 CD GLU A 62 3.982 26.900 -9.143 1.00 0.00 C ATOM 1032 OE1 GLU A 62 2.887 27.284 -9.518 1.00 0.00 O ATOM 1033 OE2 GLU A 62 4.430 25.789 -9.370 1.00 0.00 O ATOM 0 H GLU A 62 5.084 28.827 -6.141 1.00 0.00 H new ATOM 0 HA GLU A 62 6.062 30.408 -8.283 1.00 0.00 H new ATOM 0 HB2 GLU A 62 3.252 29.257 -7.880 1.00 0.00 H new ATOM 0 HB3 GLU A 62 4.039 29.568 -9.414 1.00 0.00 H new ATOM 0 HG2 GLU A 62 5.856 27.906 -8.754 1.00 0.00 H new ATOM 0 HG3 GLU A 62 4.937 27.534 -7.309 1.00 0.00 H new ATOM 1040 N ASP A 63 3.565 31.749 -6.620 1.00 0.00 N ATOM 1041 CA ASP A 63 2.838 33.042 -6.463 1.00 0.00 C ATOM 1042 C ASP A 63 3.630 33.964 -5.535 1.00 0.00 C ATOM 1043 O ASP A 63 3.242 35.087 -5.284 1.00 0.00 O ATOM 1044 CB ASP A 63 1.448 32.779 -5.878 1.00 0.00 C ATOM 1045 CG ASP A 63 1.581 32.158 -4.488 1.00 0.00 C ATOM 1046 OD1 ASP A 63 2.655 31.668 -4.178 1.00 0.00 O ATOM 1047 OD2 ASP A 63 0.603 32.179 -3.758 1.00 0.00 O ATOM 0 H ASP A 63 3.324 31.028 -5.940 1.00 0.00 H new ATOM 0 HA ASP A 63 2.731 33.522 -7.436 1.00 0.00 H new ATOM 0 HB2 ASP A 63 0.886 33.711 -5.818 1.00 0.00 H new ATOM 0 HB3 ASP A 63 0.888 32.111 -6.533 1.00 0.00 H new ATOM 1052 N GLY A 64 4.747 33.507 -5.035 1.00 0.00 N ATOM 1053 CA GLY A 64 5.564 34.380 -4.138 1.00 0.00 C ATOM 1054 C GLY A 64 4.779 34.691 -2.861 1.00 0.00 C ATOM 1055 O GLY A 64 4.808 35.801 -2.366 1.00 0.00 O ATOM 0 H GLY A 64 5.128 32.576 -5.206 1.00 0.00 H new ATOM 0 HA2 GLY A 64 6.502 33.884 -3.888 1.00 0.00 H new ATOM 0 HA3 GLY A 64 5.821 35.306 -4.652 1.00 0.00 H new ATOM 1059 N ASP A 65 4.070 33.726 -2.327 1.00 0.00 N ATOM 1060 CA ASP A 65 3.272 33.968 -1.084 1.00 0.00 C ATOM 1061 C ASP A 65 3.991 33.363 0.125 1.00 0.00 C ATOM 1062 O ASP A 65 3.530 33.463 1.245 1.00 0.00 O ATOM 1063 CB ASP A 65 1.899 33.315 -1.249 1.00 0.00 C ATOM 1064 CG ASP A 65 2.080 31.845 -1.628 1.00 0.00 C ATOM 1065 OD1 ASP A 65 3.210 31.446 -1.853 1.00 0.00 O ATOM 1066 OD2 ASP A 65 1.084 31.143 -1.687 1.00 0.00 O ATOM 0 H ASP A 65 4.009 32.778 -2.700 1.00 0.00 H new ATOM 0 HA ASP A 65 3.158 35.040 -0.922 1.00 0.00 H new ATOM 0 HB2 ASP A 65 1.331 33.396 -0.322 1.00 0.00 H new ATOM 0 HB3 ASP A 65 1.327 33.833 -2.019 1.00 0.00 H new ATOM 1071 N GLY A 66 5.118 32.742 -0.089 1.00 0.00 N ATOM 1072 CA GLY A 66 5.865 32.137 1.056 1.00 0.00 C ATOM 1073 C GLY A 66 5.214 30.807 1.447 1.00 0.00 C ATOM 1074 O GLY A 66 5.664 30.116 2.339 1.00 0.00 O ATOM 0 H GLY A 66 5.555 32.626 -1.003 1.00 0.00 H new ATOM 0 HA2 GLY A 66 6.907 31.976 0.780 1.00 0.00 H new ATOM 0 HA3 GLY A 66 5.862 32.819 1.906 1.00 0.00 H new ATOM 1078 N GLU A 67 4.158 30.449 0.771 1.00 0.00 N ATOM 1079 CA GLU A 67 3.447 29.168 1.057 1.00 0.00 C ATOM 1080 C GLU A 67 3.032 28.547 -0.281 1.00 0.00 C ATOM 1081 O GLU A 67 2.566 29.235 -1.167 1.00 0.00 O ATOM 1082 CB GLU A 67 2.212 29.457 1.916 1.00 0.00 C ATOM 1083 CG GLU A 67 1.295 30.438 1.190 1.00 0.00 C ATOM 1084 CD GLU A 67 0.158 30.859 2.120 1.00 0.00 C ATOM 1085 OE1 GLU A 67 0.024 30.253 3.171 1.00 0.00 O ATOM 1086 OE2 GLU A 67 -0.560 31.779 1.766 1.00 0.00 O ATOM 0 H GLU A 67 3.749 31.001 0.017 1.00 0.00 H new ATOM 0 HA GLU A 67 4.093 28.478 1.599 1.00 0.00 H new ATOM 0 HB2 GLU A 67 1.677 28.530 2.123 1.00 0.00 H new ATOM 0 HB3 GLU A 67 2.515 29.872 2.877 1.00 0.00 H new ATOM 0 HG2 GLU A 67 1.861 31.313 0.871 1.00 0.00 H new ATOM 0 HG3 GLU A 67 0.890 29.975 0.290 1.00 0.00 H new ATOM 1093 N CYS A 68 3.195 27.255 -0.439 1.00 0.00 N ATOM 1094 CA CYS A 68 2.807 26.593 -1.727 1.00 0.00 C ATOM 1095 C CYS A 68 1.439 25.939 -1.536 1.00 0.00 C ATOM 1096 O CYS A 68 1.209 25.208 -0.600 1.00 0.00 O ATOM 1097 CB CYS A 68 3.872 25.542 -2.129 1.00 0.00 C ATOM 1098 SG CYS A 68 4.854 25.084 -0.679 1.00 0.00 S ATOM 0 H CYS A 68 3.580 26.629 0.268 1.00 0.00 H new ATOM 0 HA CYS A 68 2.750 27.329 -2.529 1.00 0.00 H new ATOM 0 HB2 CYS A 68 3.387 24.659 -2.545 1.00 0.00 H new ATOM 0 HB3 CYS A 68 4.520 25.946 -2.907 1.00 0.00 H new ATOM 0 HG CYS A 68 5.434 23.940 -0.891 1.00 0.00 H new ATOM 1104 N ASP A 69 0.532 26.220 -2.416 1.00 0.00 N ATOM 1105 CA ASP A 69 -0.836 25.650 -2.305 1.00 0.00 C ATOM 1106 C ASP A 69 -0.790 24.161 -2.630 1.00 0.00 C ATOM 1107 O ASP A 69 0.207 23.651 -3.100 1.00 0.00 O ATOM 1108 CB ASP A 69 -1.759 26.358 -3.297 1.00 0.00 C ATOM 1109 CG ASP A 69 -1.839 27.846 -2.948 1.00 0.00 C ATOM 1110 OD1 ASP A 69 -1.492 28.193 -1.831 1.00 0.00 O ATOM 1111 OD2 ASP A 69 -2.237 28.615 -3.807 1.00 0.00 O ATOM 0 H ASP A 69 0.679 26.829 -3.221 1.00 0.00 H new ATOM 0 HA ASP A 69 -1.211 25.791 -1.291 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -1.384 26.232 -4.313 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -2.753 25.913 -3.266 1.00 0.00 H new ATOM 1116 N PHE A 70 -1.863 23.457 -2.392 1.00 0.00 N ATOM 1117 CA PHE A 70 -1.879 22.008 -2.697 1.00 0.00 C ATOM 1118 C PHE A 70 -1.351 21.804 -4.115 1.00 0.00 C ATOM 1119 O PHE A 70 -0.616 20.885 -4.375 1.00 0.00 O ATOM 1120 CB PHE A 70 -3.324 21.495 -2.574 1.00 0.00 C ATOM 1121 CG PHE A 70 -3.484 20.193 -3.326 1.00 0.00 C ATOM 1122 CD1 PHE A 70 -2.632 19.122 -3.048 1.00 0.00 C ATOM 1123 CD2 PHE A 70 -4.472 20.065 -4.308 1.00 0.00 C ATOM 1124 CE1 PHE A 70 -2.768 17.921 -3.748 1.00 0.00 C ATOM 1125 CE2 PHE A 70 -4.608 18.866 -5.008 1.00 0.00 C ATOM 1126 CZ PHE A 70 -3.757 17.790 -4.729 1.00 0.00 C ATOM 0 H PHE A 70 -2.728 23.828 -1.999 1.00 0.00 H new ATOM 0 HA PHE A 70 -1.248 21.455 -2.001 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -3.578 21.350 -1.524 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -4.016 22.239 -2.969 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -1.868 19.222 -2.292 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -5.129 20.894 -4.524 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -2.109 17.093 -3.532 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -5.371 18.768 -5.766 1.00 0.00 H new ATOM 0 HZ PHE A 70 -3.864 16.861 -5.270 1.00 0.00 H new ATOM 1136 N GLN A 71 -1.722 22.662 -5.021 1.00 0.00 N ATOM 1137 CA GLN A 71 -1.245 22.536 -6.427 1.00 0.00 C ATOM 1138 C GLN A 71 0.275 22.738 -6.514 1.00 0.00 C ATOM 1139 O GLN A 71 0.975 21.965 -7.138 1.00 0.00 O ATOM 1140 CB GLN A 71 -1.952 23.592 -7.281 1.00 0.00 C ATOM 1141 CG GLN A 71 -1.308 23.656 -8.669 1.00 0.00 C ATOM 1142 CD GLN A 71 -2.235 24.409 -9.627 1.00 0.00 C ATOM 1143 OE1 GLN A 71 -3.378 24.666 -9.306 1.00 0.00 O ATOM 1144 NE2 GLN A 71 -1.791 24.773 -10.800 1.00 0.00 N ATOM 0 H GLN A 71 -2.341 23.454 -4.847 1.00 0.00 H new ATOM 0 HA GLN A 71 -1.475 21.535 -6.791 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -3.011 23.349 -7.373 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -1.889 24.566 -6.796 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -0.342 24.158 -8.611 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -1.122 22.649 -9.042 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -0.832 24.558 -11.071 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -2.404 25.272 -11.445 1.00 0.00 H new ATOM 1153 N GLU A 72 0.788 23.782 -5.925 1.00 0.00 N ATOM 1154 CA GLU A 72 2.255 24.037 -6.012 1.00 0.00 C ATOM 1155 C GLU A 72 3.043 22.870 -5.409 1.00 0.00 C ATOM 1156 O GLU A 72 4.037 22.432 -5.959 1.00 0.00 O ATOM 1157 CB GLU A 72 2.578 25.334 -5.268 1.00 0.00 C ATOM 1158 CG GLU A 72 2.027 26.522 -6.056 1.00 0.00 C ATOM 1159 CD GLU A 72 2.310 27.817 -5.293 1.00 0.00 C ATOM 1160 OE1 GLU A 72 1.522 28.154 -4.426 1.00 0.00 O ATOM 1161 OE2 GLU A 72 3.310 28.451 -5.590 1.00 0.00 O ATOM 0 H GLU A 72 0.258 24.468 -5.388 1.00 0.00 H new ATOM 0 HA GLU A 72 2.543 24.132 -7.059 1.00 0.00 H new ATOM 0 HB2 GLU A 72 2.141 25.312 -4.270 1.00 0.00 H new ATOM 0 HB3 GLU A 72 3.656 25.435 -5.142 1.00 0.00 H new ATOM 0 HG2 GLU A 72 2.487 26.562 -7.043 1.00 0.00 H new ATOM 0 HG3 GLU A 72 0.954 26.404 -6.208 1.00 0.00 H new ATOM 1168 N PHE A 73 2.601 22.339 -4.307 1.00 0.00 N ATOM 1169 CA PHE A 73 3.327 21.183 -3.710 1.00 0.00 C ATOM 1170 C PHE A 73 3.099 19.964 -4.601 1.00 0.00 C ATOM 1171 O PHE A 73 3.895 19.047 -4.641 1.00 0.00 O ATOM 1172 CB PHE A 73 2.809 20.895 -2.291 1.00 0.00 C ATOM 1173 CG PHE A 73 3.271 19.516 -1.865 1.00 0.00 C ATOM 1174 CD1 PHE A 73 4.604 19.302 -1.495 1.00 0.00 C ATOM 1175 CD2 PHE A 73 2.367 18.447 -1.875 1.00 0.00 C ATOM 1176 CE1 PHE A 73 5.030 18.018 -1.130 1.00 0.00 C ATOM 1177 CE2 PHE A 73 2.794 17.165 -1.516 1.00 0.00 C ATOM 1178 CZ PHE A 73 4.125 16.950 -1.143 1.00 0.00 C ATOM 0 H PHE A 73 1.775 22.651 -3.795 1.00 0.00 H new ATOM 0 HA PHE A 73 4.391 21.412 -3.643 1.00 0.00 H new ATOM 0 HB2 PHE A 73 3.180 21.648 -1.595 1.00 0.00 H new ATOM 0 HB3 PHE A 73 1.721 20.950 -2.270 1.00 0.00 H new ATOM 0 HD1 PHE A 73 5.303 20.125 -1.491 1.00 0.00 H new ATOM 0 HD2 PHE A 73 1.339 18.613 -2.160 1.00 0.00 H new ATOM 0 HE1 PHE A 73 6.057 17.852 -0.839 1.00 0.00 H new ATOM 0 HE2 PHE A 73 2.096 16.341 -1.527 1.00 0.00 H new ATOM 0 HZ PHE A 73 4.455 15.960 -0.865 1.00 0.00 H new ATOM 1188 N MET A 74 2.004 19.947 -5.296 1.00 0.00 N ATOM 1189 CA MET A 74 1.690 18.792 -6.170 1.00 0.00 C ATOM 1190 C MET A 74 2.798 18.650 -7.207 1.00 0.00 C ATOM 1191 O MET A 74 3.211 17.560 -7.550 1.00 0.00 O ATOM 1192 CB MET A 74 0.331 19.029 -6.862 1.00 0.00 C ATOM 1193 CG MET A 74 -0.327 17.697 -7.223 1.00 0.00 C ATOM 1194 SD MET A 74 0.618 16.909 -8.543 1.00 0.00 S ATOM 1195 CE MET A 74 0.683 15.246 -7.845 1.00 0.00 C ATOM 0 H MET A 74 1.306 20.691 -5.296 1.00 0.00 H new ATOM 0 HA MET A 74 1.626 17.876 -5.582 1.00 0.00 H new ATOM 0 HB2 MET A 74 -0.325 19.598 -6.203 1.00 0.00 H new ATOM 0 HB3 MET A 74 0.474 19.626 -7.763 1.00 0.00 H new ATOM 0 HG2 MET A 74 -0.365 17.047 -6.349 1.00 0.00 H new ATOM 0 HG3 MET A 74 -1.356 17.861 -7.543 1.00 0.00 H new ATOM 0 HE1 MET A 74 0.796 14.518 -8.649 1.00 0.00 H new ATOM 0 HE2 MET A 74 1.531 15.170 -7.164 1.00 0.00 H new ATOM 0 HE3 MET A 74 -0.239 15.044 -7.300 1.00 0.00 H new ATOM 1205 N ALA A 75 3.275 19.741 -7.723 1.00 0.00 N ATOM 1206 CA ALA A 75 4.350 19.652 -8.743 1.00 0.00 C ATOM 1207 C ALA A 75 5.669 19.192 -8.099 1.00 0.00 C ATOM 1208 O ALA A 75 6.464 18.521 -8.722 1.00 0.00 O ATOM 1209 CB ALA A 75 4.525 21.015 -9.429 1.00 0.00 C ATOM 0 H ALA A 75 2.971 20.685 -7.486 1.00 0.00 H new ATOM 0 HA ALA A 75 4.068 18.914 -9.494 1.00 0.00 H new ATOM 0 HB1 ALA A 75 5.315 20.947 -10.177 1.00 0.00 H new ATOM 0 HB2 ALA A 75 3.591 21.302 -9.912 1.00 0.00 H new ATOM 0 HB3 ALA A 75 4.794 21.765 -8.685 1.00 0.00 H new ATOM 1215 N PHE A 76 5.916 19.542 -6.866 1.00 0.00 N ATOM 1216 CA PHE A 76 7.194 19.107 -6.209 1.00 0.00 C ATOM 1217 C PHE A 76 7.279 17.587 -6.174 1.00 0.00 C ATOM 1218 O PHE A 76 8.319 17.007 -6.383 1.00 0.00 O ATOM 1219 CB PHE A 76 7.234 19.638 -4.777 1.00 0.00 C ATOM 1220 CG PHE A 76 8.511 19.193 -4.097 1.00 0.00 C ATOM 1221 CD1 PHE A 76 9.706 19.899 -4.295 1.00 0.00 C ATOM 1222 CD2 PHE A 76 8.498 18.066 -3.266 1.00 0.00 C ATOM 1223 CE1 PHE A 76 10.881 19.481 -3.660 1.00 0.00 C ATOM 1224 CE2 PHE A 76 9.673 17.649 -2.631 1.00 0.00 C ATOM 1225 CZ PHE A 76 10.865 18.356 -2.827 1.00 0.00 C ATOM 0 H PHE A 76 5.297 20.106 -6.284 1.00 0.00 H new ATOM 0 HA PHE A 76 8.034 19.501 -6.780 1.00 0.00 H new ATOM 0 HB2 PHE A 76 7.175 20.726 -4.782 1.00 0.00 H new ATOM 0 HB3 PHE A 76 6.370 19.274 -4.221 1.00 0.00 H new ATOM 0 HD1 PHE A 76 9.720 20.766 -4.938 1.00 0.00 H new ATOM 0 HD2 PHE A 76 7.580 17.518 -3.115 1.00 0.00 H new ATOM 0 HE1 PHE A 76 11.800 20.027 -3.813 1.00 0.00 H new ATOM 0 HE2 PHE A 76 9.660 16.781 -1.989 1.00 0.00 H new ATOM 0 HZ PHE A 76 11.771 18.034 -2.336 1.00 0.00 H new ATOM 1235 N VAL A 77 6.191 16.947 -5.904 1.00 0.00 N ATOM 1236 CA VAL A 77 6.183 15.460 -5.840 1.00 0.00 C ATOM 1237 C VAL A 77 6.501 14.920 -7.227 1.00 0.00 C ATOM 1238 O VAL A 77 7.134 13.903 -7.387 1.00 0.00 O ATOM 1239 CB VAL A 77 4.786 14.974 -5.379 1.00 0.00 C ATOM 1240 CG1 VAL A 77 4.913 13.790 -4.412 1.00 0.00 C ATOM 1241 CG2 VAL A 77 4.058 16.124 -4.680 1.00 0.00 C ATOM 0 H VAL A 77 5.291 17.390 -5.721 1.00 0.00 H new ATOM 0 HA VAL A 77 6.927 15.102 -5.129 1.00 0.00 H new ATOM 0 HB VAL A 77 4.223 14.649 -6.254 1.00 0.00 H new ATOM 0 HG11 VAL A 77 3.920 13.466 -4.102 1.00 0.00 H new ATOM 0 HG12 VAL A 77 5.424 12.966 -4.910 1.00 0.00 H new ATOM 0 HG13 VAL A 77 5.485 14.095 -3.536 1.00 0.00 H new ATOM 0 HG21 VAL A 77 3.074 15.787 -4.354 1.00 0.00 H new ATOM 0 HG22 VAL A 77 4.636 16.448 -3.815 1.00 0.00 H new ATOM 0 HG23 VAL A 77 3.944 16.958 -5.373 1.00 0.00 H new ATOM 1251 N SER A 78 6.035 15.602 -8.221 1.00 0.00 N ATOM 1252 CA SER A 78 6.264 15.174 -9.621 1.00 0.00 C ATOM 1253 C SER A 78 7.756 15.138 -9.932 1.00 0.00 C ATOM 1254 O SER A 78 8.258 14.228 -10.561 1.00 0.00 O ATOM 1255 CB SER A 78 5.600 16.206 -10.524 1.00 0.00 C ATOM 1256 OG SER A 78 5.461 15.684 -11.835 1.00 0.00 O ATOM 0 H SER A 78 5.491 16.459 -8.123 1.00 0.00 H new ATOM 0 HA SER A 78 5.853 14.177 -9.778 1.00 0.00 H new ATOM 0 HB2 SER A 78 4.622 16.475 -10.125 1.00 0.00 H new ATOM 0 HB3 SER A 78 6.196 17.118 -10.548 1.00 0.00 H new ATOM 0 HG SER A 78 5.786 14.760 -11.855 1.00 0.00 H new ATOM 1262 N MET A 79 8.453 16.150 -9.527 1.00 0.00 N ATOM 1263 CA MET A 79 9.904 16.227 -9.828 1.00 0.00 C ATOM 1264 C MET A 79 10.697 15.189 -9.039 1.00 0.00 C ATOM 1265 O MET A 79 11.622 14.584 -9.548 1.00 0.00 O ATOM 1266 CB MET A 79 10.376 17.628 -9.457 1.00 0.00 C ATOM 1267 CG MET A 79 9.790 18.635 -10.447 1.00 0.00 C ATOM 1268 SD MET A 79 9.968 20.307 -9.782 1.00 0.00 S ATOM 1269 CE MET A 79 11.768 20.297 -9.640 1.00 0.00 C ATOM 0 H MET A 79 8.080 16.936 -8.995 1.00 0.00 H new ATOM 0 HA MET A 79 10.067 16.022 -10.886 1.00 0.00 H new ATOM 0 HB2 MET A 79 10.063 17.873 -8.442 1.00 0.00 H new ATOM 0 HB3 MET A 79 11.465 17.674 -9.474 1.00 0.00 H new ATOM 0 HG2 MET A 79 10.301 18.557 -11.407 1.00 0.00 H new ATOM 0 HG3 MET A 79 8.738 18.414 -10.627 1.00 0.00 H new ATOM 0 HE1 MET A 79 12.150 21.307 -9.785 1.00 0.00 H new ATOM 0 HE2 MET A 79 12.053 19.940 -8.650 1.00 0.00 H new ATOM 0 HE3 MET A 79 12.189 19.637 -10.399 1.00 0.00 H new ATOM 1279 N VAL A 80 10.367 14.982 -7.801 1.00 0.00 N ATOM 1280 CA VAL A 80 11.138 13.989 -6.999 1.00 0.00 C ATOM 1281 C VAL A 80 10.842 12.572 -7.500 1.00 0.00 C ATOM 1282 O VAL A 80 11.683 11.696 -7.454 1.00 0.00 O ATOM 1283 CB VAL A 80 10.770 14.100 -5.524 1.00 0.00 C ATOM 1284 CG1 VAL A 80 11.714 13.215 -4.712 1.00 0.00 C ATOM 1285 CG2 VAL A 80 10.921 15.549 -5.060 1.00 0.00 C ATOM 0 H VAL A 80 9.606 15.450 -7.309 1.00 0.00 H new ATOM 0 HA VAL A 80 12.202 14.197 -7.114 1.00 0.00 H new ATOM 0 HB VAL A 80 9.737 13.781 -5.381 1.00 0.00 H new ATOM 0 HG11 VAL A 80 11.460 13.286 -3.654 1.00 0.00 H new ATOM 0 HG12 VAL A 80 11.615 12.180 -5.040 1.00 0.00 H new ATOM 0 HG13 VAL A 80 12.742 13.546 -4.862 1.00 0.00 H new ATOM 0 HG21 VAL A 80 10.657 15.623 -4.005 1.00 0.00 H new ATOM 0 HG22 VAL A 80 11.953 15.870 -5.199 1.00 0.00 H new ATOM 0 HG23 VAL A 80 10.261 16.189 -5.645 1.00 0.00 H new ATOM 1295 N THR A 81 9.651 12.346 -7.975 1.00 0.00 N ATOM 1296 CA THR A 81 9.284 10.991 -8.482 1.00 0.00 C ATOM 1297 C THR A 81 10.213 10.622 -9.626 1.00 0.00 C ATOM 1298 O THR A 81 10.656 9.500 -9.755 1.00 0.00 O ATOM 1299 CB THR A 81 7.844 11.004 -8.993 1.00 0.00 C ATOM 1300 OG1 THR A 81 6.968 11.362 -7.934 1.00 0.00 O ATOM 1301 CG2 THR A 81 7.486 9.616 -9.526 1.00 0.00 C ATOM 0 H THR A 81 8.910 13.044 -8.035 1.00 0.00 H new ATOM 0 HA THR A 81 9.376 10.264 -7.675 1.00 0.00 H new ATOM 0 HB THR A 81 7.743 11.733 -9.797 1.00 0.00 H new ATOM 0 HG1 THR A 81 7.206 12.252 -7.599 1.00 0.00 H new ATOM 0 HG21 THR A 81 6.459 9.620 -9.892 1.00 0.00 H new ATOM 0 HG22 THR A 81 8.160 9.354 -10.341 1.00 0.00 H new ATOM 0 HG23 THR A 81 7.583 8.883 -8.725 1.00 0.00 H new ATOM 1309 N THR A 82 10.509 11.570 -10.455 1.00 0.00 N ATOM 1310 CA THR A 82 11.408 11.310 -11.600 1.00 0.00 C ATOM 1311 C THR A 82 12.743 10.821 -11.040 1.00 0.00 C ATOM 1312 O THR A 82 13.355 9.903 -11.556 1.00 0.00 O ATOM 1313 CB THR A 82 11.591 12.618 -12.383 1.00 0.00 C ATOM 1314 OG1 THR A 82 10.361 13.330 -12.390 1.00 0.00 O ATOM 1315 CG2 THR A 82 11.991 12.304 -13.820 1.00 0.00 C ATOM 0 H THR A 82 10.162 12.527 -10.388 1.00 0.00 H new ATOM 0 HA THR A 82 10.998 10.556 -12.272 1.00 0.00 H new ATOM 0 HB THR A 82 12.369 13.218 -11.911 1.00 0.00 H new ATOM 0 HG1 THR A 82 10.471 14.168 -12.887 1.00 0.00 H new ATOM 0 HG21 THR A 82 12.120 13.234 -14.373 1.00 0.00 H new ATOM 0 HG22 THR A 82 12.928 11.747 -13.823 1.00 0.00 H new ATOM 0 HG23 THR A 82 11.211 11.706 -14.292 1.00 0.00 H new ATOM 1323 N ALA A 83 13.181 11.410 -9.962 1.00 0.00 N ATOM 1324 CA ALA A 83 14.453 10.965 -9.338 1.00 0.00 C ATOM 1325 C ALA A 83 14.304 9.494 -8.946 1.00 0.00 C ATOM 1326 O ALA A 83 15.233 8.720 -9.035 1.00 0.00 O ATOM 1327 CB ALA A 83 14.738 11.811 -8.094 1.00 0.00 C ATOM 0 H ALA A 83 12.711 12.181 -9.488 1.00 0.00 H new ATOM 0 HA ALA A 83 15.281 11.083 -10.037 1.00 0.00 H new ATOM 0 HB1 ALA A 83 15.672 11.483 -7.637 1.00 0.00 H new ATOM 0 HB2 ALA A 83 14.822 12.860 -8.379 1.00 0.00 H new ATOM 0 HB3 ALA A 83 13.923 11.693 -7.379 1.00 0.00 H new ATOM 1333 N CYS A 84 13.130 9.107 -8.522 1.00 0.00 N ATOM 1334 CA CYS A 84 12.898 7.687 -8.132 1.00 0.00 C ATOM 1335 C CYS A 84 13.169 6.783 -9.336 1.00 0.00 C ATOM 1336 O CYS A 84 13.642 5.673 -9.193 1.00 0.00 O ATOM 1337 CB CYS A 84 11.447 7.505 -7.681 1.00 0.00 C ATOM 1338 SG CYS A 84 11.287 5.933 -6.799 1.00 0.00 S ATOM 0 H CYS A 84 12.318 9.717 -8.429 1.00 0.00 H new ATOM 0 HA CYS A 84 13.567 7.423 -7.313 1.00 0.00 H new ATOM 0 HB2 CYS A 84 11.149 8.330 -7.034 1.00 0.00 H new ATOM 0 HB3 CYS A 84 10.781 7.520 -8.544 1.00 0.00 H new ATOM 0 HG CYS A 84 10.056 5.776 -6.412 1.00 0.00 H new ATOM 1344 N HIS A 85 12.874 7.246 -10.524 1.00 0.00 N ATOM 1345 CA HIS A 85 13.120 6.398 -11.722 1.00 0.00 C ATOM 1346 C HIS A 85 14.604 6.056 -11.780 1.00 0.00 C ATOM 1347 O HIS A 85 14.974 4.925 -12.010 1.00 0.00 O ATOM 1348 CB HIS A 85 12.729 7.168 -12.984 1.00 0.00 C ATOM 1349 CG HIS A 85 12.996 6.319 -14.197 1.00 0.00 C ATOM 1350 ND1 HIS A 85 14.262 6.213 -14.755 1.00 0.00 N ATOM 1351 CD2 HIS A 85 12.176 5.539 -14.976 1.00 0.00 C ATOM 1352 CE1 HIS A 85 14.170 5.398 -15.822 1.00 0.00 C ATOM 1353 NE2 HIS A 85 12.921 4.962 -15.998 1.00 0.00 N ATOM 0 H HIS A 85 12.477 8.167 -10.712 1.00 0.00 H new ATOM 0 HA HIS A 85 12.526 5.486 -11.659 1.00 0.00 H new ATOM 0 HB2 HIS A 85 11.674 7.441 -12.944 1.00 0.00 H new ATOM 0 HB3 HIS A 85 13.296 8.097 -13.046 1.00 0.00 H new ATOM 0 HD2 HIS A 85 11.117 5.396 -14.819 1.00 0.00 H new ATOM 0 HE1 HIS A 85 15.002 5.130 -16.456 1.00 0.00 H new ATOM 0 HE2 HIS A 85 12.584 4.336 -16.729 1.00 0.00 H new ATOM 1362 N GLU A 86 15.457 7.013 -11.541 1.00 0.00 N ATOM 1363 CA GLU A 86 16.915 6.713 -11.554 1.00 0.00 C ATOM 1364 C GLU A 86 17.223 5.705 -10.445 1.00 0.00 C ATOM 1365 O GLU A 86 18.017 4.800 -10.609 1.00 0.00 O ATOM 1366 CB GLU A 86 17.722 7.993 -11.324 1.00 0.00 C ATOM 1367 CG GLU A 86 17.607 8.898 -12.552 1.00 0.00 C ATOM 1368 CD GLU A 86 18.414 10.173 -12.316 1.00 0.00 C ATOM 1369 OE1 GLU A 86 18.849 10.376 -11.195 1.00 0.00 O ATOM 1370 OE2 GLU A 86 18.586 10.924 -13.262 1.00 0.00 O ATOM 0 H GLU A 86 15.210 7.982 -11.339 1.00 0.00 H new ATOM 0 HA GLU A 86 17.190 6.297 -12.523 1.00 0.00 H new ATOM 0 HB2 GLU A 86 17.354 8.514 -10.440 1.00 0.00 H new ATOM 0 HB3 GLU A 86 18.767 7.748 -11.137 1.00 0.00 H new ATOM 0 HG2 GLU A 86 17.976 8.379 -13.437 1.00 0.00 H new ATOM 0 HG3 GLU A 86 16.562 9.145 -12.740 1.00 0.00 H new ATOM 1377 N PHE A 87 16.602 5.865 -9.311 1.00 0.00 N ATOM 1378 CA PHE A 87 16.848 4.929 -8.178 1.00 0.00 C ATOM 1379 C PHE A 87 16.302 3.538 -8.508 1.00 0.00 C ATOM 1380 O PHE A 87 16.900 2.532 -8.182 1.00 0.00 O ATOM 1381 CB PHE A 87 16.159 5.459 -6.919 1.00 0.00 C ATOM 1382 CG PHE A 87 16.396 4.503 -5.775 1.00 0.00 C ATOM 1383 CD1 PHE A 87 15.496 3.455 -5.544 1.00 0.00 C ATOM 1384 CD2 PHE A 87 17.513 4.662 -4.947 1.00 0.00 C ATOM 1385 CE1 PHE A 87 15.714 2.567 -4.484 1.00 0.00 C ATOM 1386 CE2 PHE A 87 17.731 3.773 -3.887 1.00 0.00 C ATOM 1387 CZ PHE A 87 16.831 2.725 -3.655 1.00 0.00 C ATOM 0 H PHE A 87 15.930 6.608 -9.118 1.00 0.00 H new ATOM 0 HA PHE A 87 17.922 4.856 -8.009 1.00 0.00 H new ATOM 0 HB2 PHE A 87 16.546 6.446 -6.668 1.00 0.00 H new ATOM 0 HB3 PHE A 87 15.090 5.572 -7.097 1.00 0.00 H new ATOM 0 HD1 PHE A 87 14.634 3.332 -6.183 1.00 0.00 H new ATOM 0 HD2 PHE A 87 18.207 5.470 -5.125 1.00 0.00 H new ATOM 0 HE1 PHE A 87 15.020 1.759 -4.306 1.00 0.00 H new ATOM 0 HE2 PHE A 87 18.593 3.896 -3.248 1.00 0.00 H new ATOM 0 HZ PHE A 87 16.999 2.040 -2.837 1.00 0.00 H new ATOM 1397 N PHE A 88 15.156 3.475 -9.131 1.00 0.00 N ATOM 1398 CA PHE A 88 14.546 2.152 -9.461 1.00 0.00 C ATOM 1399 C PHE A 88 15.079 1.649 -10.811 1.00 0.00 C ATOM 1400 O PHE A 88 14.338 1.164 -11.643 1.00 0.00 O ATOM 1401 CB PHE A 88 13.007 2.309 -9.511 1.00 0.00 C ATOM 1402 CG PHE A 88 12.335 1.104 -8.877 1.00 0.00 C ATOM 1403 CD1 PHE A 88 12.653 -0.181 -9.325 1.00 0.00 C ATOM 1404 CD2 PHE A 88 11.401 1.276 -7.847 1.00 0.00 C ATOM 1405 CE1 PHE A 88 12.039 -1.298 -8.745 1.00 0.00 C ATOM 1406 CE2 PHE A 88 10.786 0.159 -7.267 1.00 0.00 C ATOM 1407 CZ PHE A 88 11.105 -1.128 -7.716 1.00 0.00 C ATOM 0 H PHE A 88 14.613 4.286 -9.427 1.00 0.00 H new ATOM 0 HA PHE A 88 14.811 1.421 -8.697 1.00 0.00 H new ATOM 0 HB2 PHE A 88 12.710 3.217 -8.987 1.00 0.00 H new ATOM 0 HB3 PHE A 88 12.679 2.415 -10.545 1.00 0.00 H new ATOM 0 HD1 PHE A 88 13.373 -0.313 -10.119 1.00 0.00 H new ATOM 0 HD2 PHE A 88 11.155 2.269 -7.500 1.00 0.00 H new ATOM 0 HE1 PHE A 88 12.286 -2.291 -9.091 1.00 0.00 H new ATOM 0 HE2 PHE A 88 10.066 0.291 -6.473 1.00 0.00 H new ATOM 0 HZ PHE A 88 10.631 -1.989 -7.269 1.00 0.00 H new ATOM 1464 N MET B 0 -0.617 6.039 5.403 1.00 0.00 N ATOM 1465 CA MET B 0 0.285 7.147 5.826 1.00 0.00 C ATOM 1466 C MET B 0 1.682 6.929 5.243 1.00 0.00 C ATOM 1467 O MET B 0 2.192 5.826 5.220 1.00 0.00 O ATOM 1468 CB MET B 0 0.371 7.180 7.352 1.00 0.00 C ATOM 1469 CG MET B 0 -0.959 7.667 7.927 1.00 0.00 C ATOM 1470 SD MET B 0 -0.858 7.706 9.735 1.00 0.00 S ATOM 1471 CE MET B 0 -2.559 8.238 10.051 1.00 0.00 C ATOM 0 H1 MET B 0 -1.606 6.310 5.578 1.00 0.00 H new ATOM 0 H2 MET B 0 -0.484 5.851 4.389 1.00 0.00 H new ATOM 0 H3 MET B 0 -0.392 5.181 5.946 1.00 0.00 H new ATOM 0 HA MET B 0 -0.114 8.094 5.461 1.00 0.00 H new ATOM 0 HB2 MET B 0 0.603 6.186 7.735 1.00 0.00 H new ATOM 0 HB3 MET B 0 1.179 7.840 7.667 1.00 0.00 H new ATOM 0 HG2 MET B 0 -1.191 8.661 7.544 1.00 0.00 H new ATOM 0 HG3 MET B 0 -1.767 7.007 7.612 1.00 0.00 H new ATOM 0 HE1 MET B 0 -2.718 8.328 11.126 1.00 0.00 H new ATOM 0 HE2 MET B 0 -2.732 9.204 9.576 1.00 0.00 H new ATOM 0 HE3 MET B 0 -3.252 7.503 9.642 1.00 0.00 H new ATOM 1483 N SER B 1 2.304 7.976 4.775 1.00 0.00 N ATOM 1484 CA SER B 1 3.672 7.840 4.196 1.00 0.00 C ATOM 1485 C SER B 1 3.640 6.861 3.018 1.00 0.00 C ATOM 1486 O SER B 1 4.638 6.268 2.661 1.00 0.00 O ATOM 1487 CB SER B 1 4.632 7.328 5.274 1.00 0.00 C ATOM 1488 OG SER B 1 4.270 7.894 6.528 1.00 0.00 O ATOM 0 H SER B 1 1.924 8.922 4.768 1.00 0.00 H new ATOM 0 HA SER B 1 4.015 8.812 3.840 1.00 0.00 H new ATOM 0 HB2 SER B 1 4.592 6.240 5.327 1.00 0.00 H new ATOM 0 HB3 SER B 1 5.658 7.597 5.022 1.00 0.00 H new ATOM 0 HG SER B 1 4.880 7.568 7.222 1.00 0.00 H new ATOM 1494 N GLU B 2 2.501 6.701 2.407 1.00 0.00 N ATOM 1495 CA GLU B 2 2.390 5.779 1.242 1.00 0.00 C ATOM 1496 C GLU B 2 3.009 6.452 0.018 1.00 0.00 C ATOM 1497 O GLU B 2 2.815 6.030 -1.104 1.00 0.00 O ATOM 1498 CB GLU B 2 0.917 5.470 0.972 1.00 0.00 C ATOM 1499 CG GLU B 2 0.167 6.770 0.667 1.00 0.00 C ATOM 1500 CD GLU B 2 -1.324 6.474 0.512 1.00 0.00 C ATOM 1501 OE1 GLU B 2 -1.706 6.005 -0.547 1.00 0.00 O ATOM 1502 OE2 GLU B 2 -2.059 6.723 1.453 1.00 0.00 O ATOM 0 H GLU B 2 1.635 7.173 2.666 1.00 0.00 H new ATOM 0 HA GLU B 2 2.915 4.848 1.455 1.00 0.00 H new ATOM 0 HB2 GLU B 2 0.828 4.781 0.132 1.00 0.00 H new ATOM 0 HB3 GLU B 2 0.474 4.977 1.837 1.00 0.00 H new ATOM 0 HG2 GLU B 2 0.324 7.490 1.470 1.00 0.00 H new ATOM 0 HG3 GLU B 2 0.556 7.221 -0.246 1.00 0.00 H new ATOM 1509 N LEU B 3 3.731 7.515 0.228 1.00 0.00 N ATOM 1510 CA LEU B 3 4.340 8.243 -0.917 1.00 0.00 C ATOM 1511 C LEU B 3 5.260 7.302 -1.697 1.00 0.00 C ATOM 1512 O LEU B 3 5.366 7.395 -2.896 1.00 0.00 O ATOM 1513 CB LEU B 3 5.142 9.443 -0.398 1.00 0.00 C ATOM 1514 CG LEU B 3 5.770 10.210 -1.574 1.00 0.00 C ATOM 1515 CD1 LEU B 3 4.665 10.757 -2.492 1.00 0.00 C ATOM 1516 CD2 LEU B 3 6.618 11.371 -1.030 1.00 0.00 C ATOM 0 H LEU B 3 3.926 7.912 1.147 1.00 0.00 H new ATOM 0 HA LEU B 3 3.550 8.599 -1.578 1.00 0.00 H new ATOM 0 HB2 LEU B 3 4.491 10.106 0.172 1.00 0.00 H new ATOM 0 HB3 LEU B 3 5.923 9.102 0.282 1.00 0.00 H new ATOM 0 HG LEU B 3 6.404 9.535 -2.149 1.00 0.00 H new ATOM 0 HD11 LEU B 3 5.117 11.299 -3.323 1.00 0.00 H new ATOM 0 HD12 LEU B 3 4.071 9.929 -2.879 1.00 0.00 H new ATOM 0 HD13 LEU B 3 4.022 11.431 -1.926 1.00 0.00 H new ATOM 0 HD21 LEU B 3 7.064 11.916 -1.862 1.00 0.00 H new ATOM 0 HD22 LEU B 3 5.985 12.045 -0.452 1.00 0.00 H new ATOM 0 HD23 LEU B 3 7.407 10.976 -0.390 1.00 0.00 H new ATOM 1528 N GLU B 4 5.933 6.409 -1.036 1.00 0.00 N ATOM 1529 CA GLU B 4 6.846 5.477 -1.771 1.00 0.00 C ATOM 1530 C GLU B 4 6.034 4.667 -2.782 1.00 0.00 C ATOM 1531 O GLU B 4 6.465 4.415 -3.890 1.00 0.00 O ATOM 1532 CB GLU B 4 7.517 4.522 -0.776 1.00 0.00 C ATOM 1533 CG GLU B 4 8.453 3.565 -1.522 1.00 0.00 C ATOM 1534 CD GLU B 4 9.183 2.675 -0.514 1.00 0.00 C ATOM 1535 OE1 GLU B 4 9.020 2.903 0.673 1.00 0.00 O ATOM 1536 OE2 GLU B 4 9.894 1.783 -0.946 1.00 0.00 O ATOM 0 H GLU B 4 5.896 6.278 -0.025 1.00 0.00 H new ATOM 0 HA GLU B 4 7.611 6.054 -2.291 1.00 0.00 H new ATOM 0 HB2 GLU B 4 8.079 5.091 -0.035 1.00 0.00 H new ATOM 0 HB3 GLU B 4 6.759 3.955 -0.235 1.00 0.00 H new ATOM 0 HG2 GLU B 4 7.882 2.951 -2.219 1.00 0.00 H new ATOM 0 HG3 GLU B 4 9.174 4.131 -2.112 1.00 0.00 H new ATOM 1543 N LYS B 5 4.867 4.253 -2.398 1.00 0.00 N ATOM 1544 CA LYS B 5 4.007 3.449 -3.310 1.00 0.00 C ATOM 1545 C LYS B 5 3.567 4.294 -4.506 1.00 0.00 C ATOM 1546 O LYS B 5 3.479 3.811 -5.613 1.00 0.00 O ATOM 1547 CB LYS B 5 2.766 2.992 -2.540 1.00 0.00 C ATOM 1548 CG LYS B 5 1.893 2.094 -3.425 1.00 0.00 C ATOM 1549 CD LYS B 5 0.611 1.718 -2.669 1.00 0.00 C ATOM 1550 CE LYS B 5 -0.297 2.950 -2.511 1.00 0.00 C ATOM 1551 NZ LYS B 5 -1.709 2.500 -2.366 1.00 0.00 N ATOM 0 H LYS B 5 4.463 4.438 -1.480 1.00 0.00 H new ATOM 0 HA LYS B 5 4.571 2.589 -3.671 1.00 0.00 H new ATOM 0 HB2 LYS B 5 3.065 2.450 -1.643 1.00 0.00 H new ATOM 0 HB3 LYS B 5 2.193 3.859 -2.212 1.00 0.00 H new ATOM 0 HG2 LYS B 5 1.643 2.611 -4.351 1.00 0.00 H new ATOM 0 HG3 LYS B 5 2.442 1.194 -3.701 1.00 0.00 H new ATOM 0 HD2 LYS B 5 0.080 0.933 -3.208 1.00 0.00 H new ATOM 0 HD3 LYS B 5 0.864 1.316 -1.688 1.00 0.00 H new ATOM 0 HE2 LYS B 5 0.004 3.530 -1.638 1.00 0.00 H new ATOM 0 HE3 LYS B 5 -0.198 3.604 -3.378 1.00 0.00 H new ATOM 0 HZ1 LYS B 5 -2.259 2.813 -3.191 1.00 0.00 H new ATOM 0 HZ2 LYS B 5 -1.738 1.462 -2.303 1.00 0.00 H new ATOM 0 HZ3 LYS B 5 -2.117 2.910 -1.502 1.00 0.00 H new ATOM 1565 N ALA B 6 3.241 5.535 -4.283 1.00 0.00 N ATOM 1566 CA ALA B 6 2.755 6.394 -5.401 1.00 0.00 C ATOM 1567 C ALA B 6 3.869 6.715 -6.398 1.00 0.00 C ATOM 1568 O ALA B 6 3.648 6.746 -7.589 1.00 0.00 O ATOM 1569 CB ALA B 6 2.196 7.696 -4.826 1.00 0.00 C ATOM 0 H ALA B 6 3.290 5.994 -3.373 1.00 0.00 H new ATOM 0 HA ALA B 6 1.978 5.847 -5.935 1.00 0.00 H new ATOM 0 HB1 ALA B 6 1.839 8.329 -5.638 1.00 0.00 H new ATOM 0 HB2 ALA B 6 1.370 7.471 -4.151 1.00 0.00 H new ATOM 0 HB3 ALA B 6 2.980 8.218 -4.278 1.00 0.00 H new ATOM 1575 N MET B 7 5.050 6.973 -5.933 1.00 0.00 N ATOM 1576 CA MET B 7 6.154 7.309 -6.872 1.00 0.00 C ATOM 1577 C MET B 7 6.496 6.086 -7.714 1.00 0.00 C ATOM 1578 O MET B 7 6.785 6.179 -8.893 1.00 0.00 O ATOM 1579 CB MET B 7 7.384 7.768 -6.081 1.00 0.00 C ATOM 1580 CG MET B 7 7.100 9.139 -5.456 1.00 0.00 C ATOM 1581 SD MET B 7 8.625 9.833 -4.767 1.00 0.00 S ATOM 1582 CE MET B 7 8.060 11.552 -4.657 1.00 0.00 C ATOM 0 H MET B 7 5.303 6.967 -4.945 1.00 0.00 H new ATOM 0 HA MET B 7 5.838 8.117 -7.531 1.00 0.00 H new ATOM 0 HB2 MET B 7 7.622 7.043 -5.303 1.00 0.00 H new ATOM 0 HB3 MET B 7 8.252 7.827 -6.738 1.00 0.00 H new ATOM 0 HG2 MET B 7 6.691 9.813 -6.209 1.00 0.00 H new ATOM 0 HG3 MET B 7 6.348 9.042 -4.673 1.00 0.00 H new ATOM 0 HE1 MET B 7 8.716 12.109 -3.988 1.00 0.00 H new ATOM 0 HE2 MET B 7 8.082 12.006 -5.648 1.00 0.00 H new ATOM 0 HE3 MET B 7 7.042 11.576 -4.269 1.00 0.00 H new ATOM 1592 N VAL B 8 6.467 4.944 -7.108 1.00 0.00 N ATOM 1593 CA VAL B 8 6.794 3.694 -7.842 1.00 0.00 C ATOM 1594 C VAL B 8 5.695 3.385 -8.858 1.00 0.00 C ATOM 1595 O VAL B 8 5.952 2.870 -9.923 1.00 0.00 O ATOM 1596 CB VAL B 8 6.913 2.538 -6.846 1.00 0.00 C ATOM 1597 CG1 VAL B 8 7.022 1.209 -7.603 1.00 0.00 C ATOM 1598 CG2 VAL B 8 8.159 2.744 -5.981 1.00 0.00 C ATOM 0 H VAL B 8 6.229 4.816 -6.124 1.00 0.00 H new ATOM 0 HA VAL B 8 7.740 3.822 -8.369 1.00 0.00 H new ATOM 0 HB VAL B 8 6.028 2.513 -6.211 1.00 0.00 H new ATOM 0 HG11 VAL B 8 7.106 0.390 -6.889 1.00 0.00 H new ATOM 0 HG12 VAL B 8 6.132 1.066 -8.216 1.00 0.00 H new ATOM 0 HG13 VAL B 8 7.905 1.226 -8.242 1.00 0.00 H new ATOM 0 HG21 VAL B 8 8.248 1.923 -5.270 1.00 0.00 H new ATOM 0 HG22 VAL B 8 9.043 2.770 -6.617 1.00 0.00 H new ATOM 0 HG23 VAL B 8 8.074 3.686 -5.439 1.00 0.00 H new ATOM 1608 N ALA B 9 4.471 3.657 -8.510 1.00 0.00 N ATOM 1609 CA ALA B 9 3.336 3.343 -9.427 1.00 0.00 C ATOM 1610 C ALA B 9 3.340 4.252 -10.657 1.00 0.00 C ATOM 1611 O ALA B 9 3.049 3.817 -11.750 1.00 0.00 O ATOM 1612 CB ALA B 9 2.020 3.519 -8.683 1.00 0.00 C ATOM 0 H ALA B 9 4.203 4.086 -7.624 1.00 0.00 H new ATOM 0 HA ALA B 9 3.450 2.312 -9.762 1.00 0.00 H new ATOM 0 HB1 ALA B 9 1.190 3.290 -9.352 1.00 0.00 H new ATOM 0 HB2 ALA B 9 1.993 2.845 -7.827 1.00 0.00 H new ATOM 0 HB3 ALA B 9 1.933 4.549 -8.336 1.00 0.00 H new ATOM 1618 N LEU B 10 3.644 5.508 -10.497 1.00 0.00 N ATOM 1619 CA LEU B 10 3.636 6.419 -11.679 1.00 0.00 C ATOM 1620 C LEU B 10 4.639 5.899 -12.694 1.00 0.00 C ATOM 1621 O LEU B 10 4.410 5.908 -13.888 1.00 0.00 O ATOM 1622 CB LEU B 10 4.069 7.822 -11.252 1.00 0.00 C ATOM 1623 CG LEU B 10 3.030 8.451 -10.312 1.00 0.00 C ATOM 1624 CD1 LEU B 10 3.673 9.632 -9.581 1.00 0.00 C ATOM 1625 CD2 LEU B 10 1.827 8.966 -11.114 1.00 0.00 C ATOM 0 H LEU B 10 3.896 5.943 -9.609 1.00 0.00 H new ATOM 0 HA LEU B 10 2.633 6.456 -12.105 1.00 0.00 H new ATOM 0 HB2 LEU B 10 5.036 7.772 -10.751 1.00 0.00 H new ATOM 0 HB3 LEU B 10 4.198 8.452 -12.132 1.00 0.00 H new ATOM 0 HG LEU B 10 2.692 7.697 -9.602 1.00 0.00 H new ATOM 0 HD11 LEU B 10 2.943 10.086 -8.911 1.00 0.00 H new ATOM 0 HD12 LEU B 10 4.527 9.280 -9.003 1.00 0.00 H new ATOM 0 HD13 LEU B 10 4.007 10.372 -10.308 1.00 0.00 H new ATOM 0 HD21 LEU B 10 1.099 9.409 -10.434 1.00 0.00 H new ATOM 0 HD22 LEU B 10 2.161 9.718 -11.828 1.00 0.00 H new ATOM 0 HD23 LEU B 10 1.365 8.137 -11.650 1.00 0.00 H new ATOM 1637 N ILE B 11 5.751 5.445 -12.214 1.00 0.00 N ATOM 1638 CA ILE B 11 6.800 4.910 -13.109 1.00 0.00 C ATOM 1639 C ILE B 11 6.339 3.583 -13.737 1.00 0.00 C ATOM 1640 O ILE B 11 6.611 3.313 -14.890 1.00 0.00 O ATOM 1641 CB ILE B 11 8.089 4.742 -12.291 1.00 0.00 C ATOM 1642 CG1 ILE B 11 8.644 6.142 -11.963 1.00 0.00 C ATOM 1643 CG2 ILE B 11 9.116 3.940 -13.089 1.00 0.00 C ATOM 1644 CD1 ILE B 11 9.733 6.063 -10.885 1.00 0.00 C ATOM 0 H ILE B 11 5.983 5.421 -11.221 1.00 0.00 H new ATOM 0 HA ILE B 11 6.991 5.598 -13.932 1.00 0.00 H new ATOM 0 HB ILE B 11 7.878 4.202 -11.368 1.00 0.00 H new ATOM 0 HG12 ILE B 11 9.053 6.596 -12.866 1.00 0.00 H new ATOM 0 HG13 ILE B 11 7.835 6.787 -11.621 1.00 0.00 H new ATOM 0 HG21 ILE B 11 10.026 3.827 -12.500 1.00 0.00 H new ATOM 0 HG22 ILE B 11 8.709 2.956 -13.321 1.00 0.00 H new ATOM 0 HG23 ILE B 11 9.347 4.465 -14.016 1.00 0.00 H new ATOM 0 HD11 ILE B 11 10.108 7.064 -10.672 1.00 0.00 H new ATOM 0 HD12 ILE B 11 9.314 5.631 -9.976 1.00 0.00 H new ATOM 0 HD13 ILE B 11 10.552 5.437 -11.240 1.00 0.00 H new ATOM 1656 N ASP B 12 5.658 2.747 -12.993 1.00 0.00 N ATOM 1657 CA ASP B 12 5.198 1.436 -13.557 1.00 0.00 C ATOM 1658 C ASP B 12 4.268 1.651 -14.765 1.00 0.00 C ATOM 1659 O ASP B 12 4.386 0.984 -15.773 1.00 0.00 O ATOM 1660 CB ASP B 12 4.450 0.659 -12.468 1.00 0.00 C ATOM 1661 CG ASP B 12 3.981 -0.693 -13.017 1.00 0.00 C ATOM 1662 OD1 ASP B 12 4.061 -0.885 -14.219 1.00 0.00 O ATOM 1663 OD2 ASP B 12 3.555 -1.515 -12.223 1.00 0.00 O ATOM 0 H ASP B 12 5.400 2.914 -12.020 1.00 0.00 H new ATOM 0 HA ASP B 12 6.069 0.873 -13.892 1.00 0.00 H new ATOM 0 HB2 ASP B 12 5.101 0.505 -11.607 1.00 0.00 H new ATOM 0 HB3 ASP B 12 3.593 1.237 -12.121 1.00 0.00 H new ATOM 1668 N VAL B 13 3.341 2.564 -14.668 1.00 0.00 N ATOM 1669 CA VAL B 13 2.397 2.813 -15.803 1.00 0.00 C ATOM 1670 C VAL B 13 3.167 3.455 -16.966 1.00 0.00 C ATOM 1671 O VAL B 13 2.940 3.151 -18.119 1.00 0.00 O ATOM 1672 CB VAL B 13 1.230 3.718 -15.291 1.00 0.00 C ATOM 1673 CG1 VAL B 13 1.108 5.023 -16.091 1.00 0.00 C ATOM 1674 CG2 VAL B 13 -0.105 2.967 -15.392 1.00 0.00 C ATOM 0 H VAL B 13 3.193 3.153 -13.849 1.00 0.00 H new ATOM 0 HA VAL B 13 1.965 1.882 -16.171 1.00 0.00 H new ATOM 0 HB VAL B 13 1.460 3.966 -14.255 1.00 0.00 H new ATOM 0 HG11 VAL B 13 0.283 5.616 -15.696 1.00 0.00 H new ATOM 0 HG12 VAL B 13 2.035 5.590 -16.006 1.00 0.00 H new ATOM 0 HG13 VAL B 13 0.919 4.791 -17.139 1.00 0.00 H new ATOM 0 HG21 VAL B 13 -0.911 3.607 -15.033 1.00 0.00 H new ATOM 0 HG22 VAL B 13 -0.293 2.696 -16.431 1.00 0.00 H new ATOM 0 HG23 VAL B 13 -0.061 2.063 -14.784 1.00 0.00 H new ATOM 1684 N PHE B 14 4.076 4.336 -16.678 1.00 0.00 N ATOM 1685 CA PHE B 14 4.842 4.976 -17.779 1.00 0.00 C ATOM 1686 C PHE B 14 5.437 3.884 -18.665 1.00 0.00 C ATOM 1687 O PHE B 14 5.457 4.004 -19.865 1.00 0.00 O ATOM 1688 CB PHE B 14 5.958 5.855 -17.196 1.00 0.00 C ATOM 1689 CG PHE B 14 6.950 6.226 -18.280 1.00 0.00 C ATOM 1690 CD1 PHE B 14 6.767 7.384 -19.045 1.00 0.00 C ATOM 1691 CD2 PHE B 14 8.060 5.403 -18.512 1.00 0.00 C ATOM 1692 CE1 PHE B 14 7.694 7.716 -20.042 1.00 0.00 C ATOM 1693 CE2 PHE B 14 8.984 5.736 -19.509 1.00 0.00 C ATOM 1694 CZ PHE B 14 8.801 6.892 -20.273 1.00 0.00 C ATOM 0 H PHE B 14 4.322 4.640 -15.736 1.00 0.00 H new ATOM 0 HA PHE B 14 4.181 5.607 -18.373 1.00 0.00 H new ATOM 0 HB2 PHE B 14 5.530 6.758 -16.760 1.00 0.00 H new ATOM 0 HB3 PHE B 14 6.468 5.323 -16.392 1.00 0.00 H new ATOM 0 HD1 PHE B 14 5.913 8.020 -18.867 1.00 0.00 H new ATOM 0 HD2 PHE B 14 8.203 4.511 -17.921 1.00 0.00 H new ATOM 0 HE1 PHE B 14 7.554 8.609 -20.633 1.00 0.00 H new ATOM 0 HE2 PHE B 14 9.838 5.100 -19.688 1.00 0.00 H new ATOM 0 HZ PHE B 14 9.514 7.149 -21.042 1.00 0.00 H new ATOM 1704 N HIS B 15 5.917 2.823 -18.090 1.00 0.00 N ATOM 1705 CA HIS B 15 6.494 1.733 -18.923 1.00 0.00 C ATOM 1706 C HIS B 15 5.372 1.030 -19.687 1.00 0.00 C ATOM 1707 O HIS B 15 5.604 0.373 -20.683 1.00 0.00 O ATOM 1708 CB HIS B 15 7.213 0.714 -18.034 1.00 0.00 C ATOM 1709 CG HIS B 15 8.503 1.296 -17.524 1.00 0.00 C ATOM 1710 ND1 HIS B 15 8.672 1.683 -16.201 1.00 0.00 N ATOM 1711 CD2 HIS B 15 9.700 1.553 -18.145 1.00 0.00 C ATOM 1712 CE1 HIS B 15 9.930 2.146 -16.072 1.00 0.00 C ATOM 1713 NE2 HIS B 15 10.594 2.088 -17.226 1.00 0.00 N ATOM 0 H HIS B 15 5.936 2.661 -17.083 1.00 0.00 H new ATOM 0 HA HIS B 15 7.209 2.163 -19.625 1.00 0.00 H new ATOM 0 HB2 HIS B 15 6.574 0.435 -17.196 1.00 0.00 H new ATOM 0 HB3 HIS B 15 7.413 -0.196 -18.599 1.00 0.00 H new ATOM 0 HD1 HIS B 15 7.971 1.627 -15.462 1.00 0.00 H new ATOM 0 HD2 HIS B 15 9.914 1.368 -19.187 1.00 0.00 H new ATOM 0 HE1 HIS B 15 10.349 2.518 -15.148 1.00 0.00 H new ATOM 1722 N GLN B 16 4.161 1.143 -19.220 1.00 0.00 N ATOM 1723 CA GLN B 16 3.034 0.456 -19.908 1.00 0.00 C ATOM 1724 C GLN B 16 2.915 0.958 -21.357 1.00 0.00 C ATOM 1725 O GLN B 16 2.756 0.176 -22.274 1.00 0.00 O ATOM 1726 CB GLN B 16 1.738 0.773 -19.153 1.00 0.00 C ATOM 1727 CG GLN B 16 0.595 -0.075 -19.699 1.00 0.00 C ATOM 1728 CD GLN B 16 -0.692 0.254 -18.939 1.00 0.00 C ATOM 1729 OE1 GLN B 16 -0.655 0.904 -17.916 1.00 0.00 O ATOM 1730 NE2 GLN B 16 -1.837 -0.170 -19.399 1.00 0.00 N ATOM 0 H GLN B 16 3.903 1.681 -18.393 1.00 0.00 H new ATOM 0 HA GLN B 16 3.213 -0.619 -19.922 1.00 0.00 H new ATOM 0 HB2 GLN B 16 1.870 0.578 -18.089 1.00 0.00 H new ATOM 0 HB3 GLN B 16 1.498 1.831 -19.255 1.00 0.00 H new ATOM 0 HG2 GLN B 16 0.461 0.118 -20.763 1.00 0.00 H new ATOM 0 HG3 GLN B 16 0.831 -1.134 -19.594 1.00 0.00 H new ATOM 0 HE21 GLN B 16 -1.870 -0.717 -20.259 1.00 0.00 H new ATOM 0 HE22 GLN B 16 -2.699 0.045 -18.898 1.00 0.00 H new ATOM 1739 N TYR B 17 2.981 2.248 -21.577 1.00 0.00 N ATOM 1740 CA TYR B 17 2.858 2.781 -22.982 1.00 0.00 C ATOM 1741 C TYR B 17 4.229 3.052 -23.607 1.00 0.00 C ATOM 1742 O TYR B 17 4.416 2.915 -24.796 1.00 0.00 O ATOM 1743 CB TYR B 17 2.066 4.086 -22.945 1.00 0.00 C ATOM 1744 CG TYR B 17 0.632 3.764 -22.638 1.00 0.00 C ATOM 1745 CD1 TYR B 17 0.233 3.587 -21.315 1.00 0.00 C ATOM 1746 CD2 TYR B 17 -0.288 3.627 -23.677 1.00 0.00 C ATOM 1747 CE1 TYR B 17 -1.092 3.266 -21.023 1.00 0.00 C ATOM 1748 CE2 TYR B 17 -1.619 3.313 -23.397 1.00 0.00 C ATOM 1749 CZ TYR B 17 -2.027 3.129 -22.064 1.00 0.00 C ATOM 1750 OH TYR B 17 -3.339 2.811 -21.779 1.00 0.00 O ATOM 0 H TYR B 17 3.114 2.956 -20.854 1.00 0.00 H new ATOM 0 HA TYR B 17 2.351 2.031 -23.588 1.00 0.00 H new ATOM 0 HB2 TYR B 17 2.474 4.756 -22.188 1.00 0.00 H new ATOM 0 HB3 TYR B 17 2.142 4.602 -23.902 1.00 0.00 H new ATOM 0 HD1 TYR B 17 0.950 3.698 -20.515 1.00 0.00 H new ATOM 0 HD2 TYR B 17 0.030 3.764 -24.700 1.00 0.00 H new ATOM 0 HE1 TYR B 17 -1.400 3.123 -19.998 1.00 0.00 H new ATOM 0 HE2 TYR B 17 -2.333 3.212 -24.201 1.00 0.00 H new ATOM 0 HH TYR B 17 -3.449 2.715 -20.810 1.00 0.00 H new ATOM 1760 N SER B 18 5.174 3.469 -22.830 1.00 0.00 N ATOM 1761 CA SER B 18 6.514 3.782 -23.395 1.00 0.00 C ATOM 1762 C SER B 18 7.132 2.533 -24.037 1.00 0.00 C ATOM 1763 O SER B 18 7.704 2.596 -25.106 1.00 0.00 O ATOM 1764 CB SER B 18 7.421 4.302 -22.279 1.00 0.00 C ATOM 1765 OG SER B 18 8.453 5.089 -22.851 1.00 0.00 O ATOM 0 H SER B 18 5.082 3.609 -21.824 1.00 0.00 H new ATOM 0 HA SER B 18 6.408 4.545 -24.166 1.00 0.00 H new ATOM 0 HB2 SER B 18 6.843 4.896 -21.571 1.00 0.00 H new ATOM 0 HB3 SER B 18 7.848 3.468 -21.722 1.00 0.00 H new ATOM 0 HG SER B 18 9.300 4.899 -22.396 1.00 0.00 H new ATOM 1771 N GLY B 19 7.028 1.402 -23.393 1.00 0.00 N ATOM 1772 CA GLY B 19 7.622 0.158 -23.967 1.00 0.00 C ATOM 1773 C GLY B 19 6.768 -0.342 -25.132 1.00 0.00 C ATOM 1774 O GLY B 19 7.167 -1.219 -25.873 1.00 0.00 O ATOM 0 H GLY B 19 6.558 1.285 -22.495 1.00 0.00 H new ATOM 0 HA2 GLY B 19 8.638 0.355 -24.309 1.00 0.00 H new ATOM 0 HA3 GLY B 19 7.688 -0.611 -23.198 1.00 0.00 H new ATOM 1778 N ARG B 20 5.600 0.208 -25.304 1.00 0.00 N ATOM 1779 CA ARG B 20 4.725 -0.234 -26.426 1.00 0.00 C ATOM 1780 C ARG B 20 5.446 0.004 -27.755 1.00 0.00 C ATOM 1781 O ARG B 20 5.419 -0.822 -28.646 1.00 0.00 O ATOM 1782 CB ARG B 20 3.445 0.593 -26.406 1.00 0.00 C ATOM 1783 CG ARG B 20 2.497 0.125 -27.506 1.00 0.00 C ATOM 1784 CD ARG B 20 1.238 0.978 -27.444 1.00 0.00 C ATOM 1785 NE ARG B 20 0.287 0.550 -28.505 1.00 0.00 N ATOM 1786 CZ ARG B 20 -0.956 0.941 -28.459 1.00 0.00 C ATOM 1787 NH1 ARG B 20 -1.364 1.706 -27.483 1.00 0.00 N ATOM 1788 NH2 ARG B 20 -1.792 0.571 -29.388 1.00 0.00 N ATOM 0 H ARG B 20 5.212 0.946 -24.716 1.00 0.00 H new ATOM 0 HA ARG B 20 4.492 -1.293 -26.317 1.00 0.00 H new ATOM 0 HB2 ARG B 20 2.960 0.501 -25.434 1.00 0.00 H new ATOM 0 HB3 ARG B 20 3.683 1.648 -26.545 1.00 0.00 H new ATOM 0 HG2 ARG B 20 2.972 0.219 -28.483 1.00 0.00 H new ATOM 0 HG3 ARG B 20 2.250 -0.928 -27.372 1.00 0.00 H new ATOM 0 HD2 ARG B 20 0.771 0.882 -26.464 1.00 0.00 H new ATOM 0 HD3 ARG B 20 1.493 2.030 -27.574 1.00 0.00 H new ATOM 0 HE ARG B 20 0.607 -0.048 -29.267 1.00 0.00 H new ATOM 0 HH11 ARG B 20 -0.710 1.998 -26.756 1.00 0.00 H new ATOM 0 HH12 ARG B 20 -2.336 2.012 -27.447 1.00 0.00 H new ATOM 0 HH21 ARG B 20 -1.474 -0.025 -30.152 1.00 0.00 H new ATOM 0 HH22 ARG B 20 -2.764 0.878 -29.351 1.00 0.00 H new ATOM 1802 N GLU B 21 6.078 1.144 -27.892 1.00 0.00 N ATOM 1803 CA GLU B 21 6.800 1.482 -29.163 1.00 0.00 C ATOM 1804 C GLU B 21 8.308 1.554 -28.908 1.00 0.00 C ATOM 1805 O GLU B 21 8.766 1.526 -27.782 1.00 0.00 O ATOM 1806 CB GLU B 21 6.315 2.838 -29.677 1.00 0.00 C ATOM 1807 CG GLU B 21 4.876 2.712 -30.179 1.00 0.00 C ATOM 1808 CD GLU B 21 4.378 4.083 -30.640 1.00 0.00 C ATOM 1809 OE1 GLU B 21 5.157 5.020 -30.590 1.00 0.00 O ATOM 1810 OE2 GLU B 21 3.228 4.171 -31.036 1.00 0.00 O ATOM 0 H GLU B 21 6.126 1.864 -27.171 1.00 0.00 H new ATOM 0 HA GLU B 21 6.596 0.708 -29.903 1.00 0.00 H new ATOM 0 HB2 GLU B 21 6.369 3.581 -28.881 1.00 0.00 H new ATOM 0 HB3 GLU B 21 6.962 3.186 -30.482 1.00 0.00 H new ATOM 0 HG2 GLU B 21 4.827 1.999 -31.002 1.00 0.00 H new ATOM 0 HG3 GLU B 21 4.235 2.327 -29.386 1.00 0.00 H new ATOM 1817 N GLY B 22 9.080 1.624 -29.958 1.00 0.00 N ATOM 1818 CA GLY B 22 10.563 1.673 -29.815 1.00 0.00 C ATOM 1819 C GLY B 22 10.998 2.853 -28.937 1.00 0.00 C ATOM 1820 O GLY B 22 11.996 2.774 -28.248 1.00 0.00 O ATOM 0 H GLY B 22 8.742 1.650 -30.920 1.00 0.00 H new ATOM 0 HA2 GLY B 22 10.920 0.740 -29.378 1.00 0.00 H new ATOM 0 HA3 GLY B 22 11.023 1.760 -30.799 1.00 0.00 H new ATOM 1824 N ASP B 23 10.286 3.951 -28.954 1.00 0.00 N ATOM 1825 CA ASP B 23 10.716 5.104 -28.116 1.00 0.00 C ATOM 1826 C ASP B 23 10.413 4.800 -26.641 1.00 0.00 C ATOM 1827 O ASP B 23 9.560 5.408 -26.030 1.00 0.00 O ATOM 1828 CB ASP B 23 9.962 6.363 -28.577 1.00 0.00 C ATOM 1829 CG ASP B 23 10.764 7.622 -28.232 1.00 0.00 C ATOM 1830 OD1 ASP B 23 11.979 7.573 -28.327 1.00 0.00 O ATOM 1831 OD2 ASP B 23 10.147 8.616 -27.886 1.00 0.00 O ATOM 0 H ASP B 23 9.439 4.096 -29.504 1.00 0.00 H new ATOM 0 HA ASP B 23 11.787 5.273 -28.223 1.00 0.00 H new ATOM 0 HB2 ASP B 23 9.789 6.318 -29.652 1.00 0.00 H new ATOM 0 HB3 ASP B 23 8.984 6.405 -28.098 1.00 0.00 H new ATOM 1836 N LYS B 24 11.110 3.850 -26.074 1.00 0.00 N ATOM 1837 CA LYS B 24 10.882 3.481 -24.642 1.00 0.00 C ATOM 1838 C LYS B 24 11.374 4.596 -23.711 1.00 0.00 C ATOM 1839 O LYS B 24 10.765 4.888 -22.702 1.00 0.00 O ATOM 1840 CB LYS B 24 11.659 2.195 -24.332 1.00 0.00 C ATOM 1841 CG LYS B 24 11.288 1.672 -22.938 1.00 0.00 C ATOM 1842 CD LYS B 24 12.311 0.621 -22.496 1.00 0.00 C ATOM 1843 CE LYS B 24 12.391 -0.500 -23.537 1.00 0.00 C ATOM 1844 NZ LYS B 24 11.018 -0.870 -23.981 1.00 0.00 N ATOM 0 H LYS B 24 11.835 3.308 -26.545 1.00 0.00 H new ATOM 0 HA LYS B 24 9.814 3.333 -24.481 1.00 0.00 H new ATOM 0 HB2 LYS B 24 11.436 1.437 -25.083 1.00 0.00 H new ATOM 0 HB3 LYS B 24 12.731 2.388 -24.382 1.00 0.00 H new ATOM 0 HG2 LYS B 24 11.265 2.495 -22.224 1.00 0.00 H new ATOM 0 HG3 LYS B 24 10.289 1.237 -22.955 1.00 0.00 H new ATOM 0 HD2 LYS B 24 13.290 1.084 -22.371 1.00 0.00 H new ATOM 0 HD3 LYS B 24 12.027 0.210 -21.527 1.00 0.00 H new ATOM 0 HE2 LYS B 24 12.985 -0.175 -24.391 1.00 0.00 H new ATOM 0 HE3 LYS B 24 12.893 -1.369 -23.112 1.00 0.00 H new ATOM 0 HZ1 LYS B 24 11.007 -1.866 -24.281 1.00 0.00 H new ATOM 0 HZ2 LYS B 24 10.351 -0.738 -23.194 1.00 0.00 H new ATOM 0 HZ3 LYS B 24 10.736 -0.265 -24.779 1.00 0.00 H new ATOM 1858 N HIS B 25 12.489 5.197 -24.018 1.00 0.00 N ATOM 1859 CA HIS B 25 13.030 6.263 -23.125 1.00 0.00 C ATOM 1860 C HIS B 25 12.331 7.600 -23.383 1.00 0.00 C ATOM 1861 O HIS B 25 12.454 8.525 -22.606 1.00 0.00 O ATOM 1862 CB HIS B 25 14.531 6.415 -23.376 1.00 0.00 C ATOM 1863 CG HIS B 25 14.769 6.848 -24.796 1.00 0.00 C ATOM 1864 ND1 HIS B 25 14.207 6.183 -25.879 1.00 0.00 N ATOM 1865 CD2 HIS B 25 15.516 7.869 -25.330 1.00 0.00 C ATOM 1866 CE1 HIS B 25 14.622 6.807 -26.997 1.00 0.00 C ATOM 1867 NE2 HIS B 25 15.420 7.838 -26.716 1.00 0.00 N ATOM 0 H HIS B 25 13.049 4.998 -24.847 1.00 0.00 H new ATOM 0 HA HIS B 25 12.850 5.975 -22.089 1.00 0.00 H new ATOM 0 HB2 HIS B 25 14.952 7.148 -22.687 1.00 0.00 H new ATOM 0 HB3 HIS B 25 15.039 5.470 -23.185 1.00 0.00 H new ATOM 0 HD2 HIS B 25 16.090 8.585 -24.761 1.00 0.00 H new ATOM 0 HE1 HIS B 25 14.343 6.510 -27.997 1.00 0.00 H new ATOM 0 HE2 HIS B 25 15.866 8.471 -27.379 1.00 0.00 H new ATOM 1876 N LYS B 26 11.613 7.724 -24.471 1.00 0.00 N ATOM 1877 CA LYS B 26 10.923 9.020 -24.779 1.00 0.00 C ATOM 1878 C LYS B 26 9.529 8.759 -25.330 1.00 0.00 C ATOM 1879 O LYS B 26 9.248 7.724 -25.900 1.00 0.00 O ATOM 1880 CB LYS B 26 11.756 9.802 -25.798 1.00 0.00 C ATOM 1881 CG LYS B 26 12.968 10.408 -25.088 1.00 0.00 C ATOM 1882 CD LYS B 26 14.001 10.877 -26.118 1.00 0.00 C ATOM 1883 CE LYS B 26 13.349 11.826 -27.126 1.00 0.00 C ATOM 1884 NZ LYS B 26 12.638 11.027 -28.163 1.00 0.00 N ATOM 0 H LYS B 26 11.473 6.986 -25.161 1.00 0.00 H new ATOM 0 HA LYS B 26 10.825 9.604 -23.864 1.00 0.00 H new ATOM 0 HB2 LYS B 26 12.081 9.144 -26.603 1.00 0.00 H new ATOM 0 HB3 LYS B 26 11.154 10.588 -26.253 1.00 0.00 H new ATOM 0 HG2 LYS B 26 12.654 11.248 -24.468 1.00 0.00 H new ATOM 0 HG3 LYS B 26 13.416 9.670 -24.422 1.00 0.00 H new ATOM 0 HD2 LYS B 26 14.825 11.381 -25.614 1.00 0.00 H new ATOM 0 HD3 LYS B 26 14.423 10.017 -26.638 1.00 0.00 H new ATOM 0 HE2 LYS B 26 12.649 12.490 -26.618 1.00 0.00 H new ATOM 0 HE3 LYS B 26 14.106 12.457 -27.592 1.00 0.00 H new ATOM 0 HZ1 LYS B 26 12.955 11.324 -29.108 1.00 0.00 H new ATOM 0 HZ2 LYS B 26 12.849 10.017 -28.028 1.00 0.00 H new ATOM 0 HZ3 LYS B 26 11.613 11.181 -28.078 1.00 0.00 H new ATOM 1898 N LEU B 27 8.647 9.699 -25.133 1.00 0.00 N ATOM 1899 CA LEU B 27 7.242 9.549 -25.604 1.00 0.00 C ATOM 1900 C LEU B 27 6.947 10.528 -26.728 1.00 0.00 C ATOM 1901 O LEU B 27 7.101 11.718 -26.578 1.00 0.00 O ATOM 1902 CB LEU B 27 6.302 9.877 -24.446 1.00 0.00 C ATOM 1903 CG LEU B 27 6.434 8.829 -23.338 1.00 0.00 C ATOM 1904 CD1 LEU B 27 5.544 9.242 -22.162 1.00 0.00 C ATOM 1905 CD2 LEU B 27 6.007 7.444 -23.862 1.00 0.00 C ATOM 0 H LEU B 27 8.844 10.580 -24.657 1.00 0.00 H new ATOM 0 HA LEU B 27 7.100 8.529 -25.960 1.00 0.00 H new ATOM 0 HB2 LEU B 27 6.534 10.866 -24.050 1.00 0.00 H new ATOM 0 HB3 LEU B 27 5.273 9.910 -24.803 1.00 0.00 H new ATOM 0 HG LEU B 27 7.472 8.768 -23.013 1.00 0.00 H new ATOM 0 HD11 LEU B 27 5.629 8.503 -21.365 1.00 0.00 H new ATOM 0 HD12 LEU B 27 5.862 10.216 -21.790 1.00 0.00 H new ATOM 0 HD13 LEU B 27 4.507 9.301 -22.493 1.00 0.00 H new ATOM 0 HD21 LEU B 27 6.105 6.707 -23.065 1.00 0.00 H new ATOM 0 HD22 LEU B 27 4.969 7.484 -24.193 1.00 0.00 H new ATOM 0 HD23 LEU B 27 6.644 7.160 -24.699 1.00 0.00 H new ATOM 1917 N LYS B 28 6.476 10.045 -27.841 1.00 0.00 N ATOM 1918 CA LYS B 28 6.114 10.963 -28.951 1.00 0.00 C ATOM 1919 C LYS B 28 4.626 11.283 -28.797 1.00 0.00 C ATOM 1920 O LYS B 28 3.885 10.481 -28.264 1.00 0.00 O ATOM 1921 CB LYS B 28 6.371 10.271 -30.291 1.00 0.00 C ATOM 1922 CG LYS B 28 6.045 11.235 -31.430 1.00 0.00 C ATOM 1923 CD LYS B 28 6.314 10.553 -32.771 1.00 0.00 C ATOM 1924 CE LYS B 28 6.011 11.531 -33.907 1.00 0.00 C ATOM 1925 NZ LYS B 28 6.233 10.854 -35.216 1.00 0.00 N ATOM 0 H LYS B 28 6.326 9.054 -28.029 1.00 0.00 H new ATOM 0 HA LYS B 28 6.709 11.876 -28.921 1.00 0.00 H new ATOM 0 HB2 LYS B 28 7.412 9.953 -30.355 1.00 0.00 H new ATOM 0 HB3 LYS B 28 5.758 9.373 -30.373 1.00 0.00 H new ATOM 0 HG2 LYS B 28 5.002 11.544 -31.371 1.00 0.00 H new ATOM 0 HG3 LYS B 28 6.651 12.137 -31.341 1.00 0.00 H new ATOM 0 HD2 LYS B 28 7.353 10.227 -32.824 1.00 0.00 H new ATOM 0 HD3 LYS B 28 5.695 9.661 -32.869 1.00 0.00 H new ATOM 0 HE2 LYS B 28 4.981 11.880 -33.836 1.00 0.00 H new ATOM 0 HE3 LYS B 28 6.652 12.409 -33.826 1.00 0.00 H new ATOM 0 HZ1 LYS B 28 6.027 11.518 -35.990 1.00 0.00 H new ATOM 0 HZ2 LYS B 28 7.223 10.542 -35.282 1.00 0.00 H new ATOM 0 HZ3 LYS B 28 5.604 10.029 -35.291 1.00 0.00 H new ATOM 1939 N LYS B 29 4.170 12.437 -29.235 1.00 0.00 N ATOM 1940 CA LYS B 29 2.713 12.767 -29.084 1.00 0.00 C ATOM 1941 C LYS B 29 1.891 11.541 -29.463 1.00 0.00 C ATOM 1942 O LYS B 29 0.757 11.381 -29.068 1.00 0.00 O ATOM 1943 CB LYS B 29 2.324 13.939 -30.001 1.00 0.00 C ATOM 1944 CG LYS B 29 2.348 13.512 -31.473 1.00 0.00 C ATOM 1945 CD LYS B 29 2.200 14.751 -32.358 1.00 0.00 C ATOM 1946 CE LYS B 29 2.049 14.320 -33.818 1.00 0.00 C ATOM 1947 NZ LYS B 29 3.310 13.666 -34.269 1.00 0.00 N ATOM 0 H LYS B 29 4.736 13.156 -29.685 1.00 0.00 H new ATOM 0 HA LYS B 29 2.518 13.054 -28.051 1.00 0.00 H new ATOM 0 HB2 LYS B 29 1.329 14.297 -29.738 1.00 0.00 H new ATOM 0 HB3 LYS B 29 3.012 14.770 -29.848 1.00 0.00 H new ATOM 0 HG2 LYS B 29 3.282 12.998 -31.700 1.00 0.00 H new ATOM 0 HG3 LYS B 29 1.540 12.808 -31.673 1.00 0.00 H new ATOM 0 HD2 LYS B 29 1.331 15.331 -32.047 1.00 0.00 H new ATOM 0 HD3 LYS B 29 3.071 15.397 -32.247 1.00 0.00 H new ATOM 0 HE2 LYS B 29 1.211 13.631 -33.921 1.00 0.00 H new ATOM 0 HE3 LYS B 29 1.830 15.185 -34.444 1.00 0.00 H new ATOM 0 HZ1 LYS B 29 3.554 14.002 -35.222 1.00 0.00 H new ATOM 0 HZ2 LYS B 29 4.079 13.904 -33.611 1.00 0.00 H new ATOM 0 HZ3 LYS B 29 3.178 12.635 -34.289 1.00 0.00 H new ATOM 1961 N SER B 30 2.482 10.683 -30.236 1.00 0.00 N ATOM 1962 CA SER B 30 1.776 9.443 -30.666 1.00 0.00 C ATOM 1963 C SER B 30 1.607 8.492 -29.472 1.00 0.00 C ATOM 1964 O SER B 30 0.524 8.004 -29.213 1.00 0.00 O ATOM 1965 CB SER B 30 2.583 8.754 -31.766 1.00 0.00 C ATOM 1966 OG SER B 30 1.932 7.548 -32.143 1.00 0.00 O ATOM 0 H SER B 30 3.432 10.784 -30.594 1.00 0.00 H new ATOM 0 HA SER B 30 0.790 9.706 -31.049 1.00 0.00 H new ATOM 0 HB2 SER B 30 2.680 9.413 -32.629 1.00 0.00 H new ATOM 0 HB3 SER B 30 3.592 8.541 -31.413 1.00 0.00 H new ATOM 0 HG SER B 30 2.447 7.105 -32.849 1.00 0.00 H new ATOM 1972 N GLU B 31 2.655 8.232 -28.728 1.00 0.00 N ATOM 1973 CA GLU B 31 2.509 7.326 -27.557 1.00 0.00 C ATOM 1974 C GLU B 31 1.684 8.038 -26.498 1.00 0.00 C ATOM 1975 O GLU B 31 0.938 7.431 -25.766 1.00 0.00 O ATOM 1976 CB GLU B 31 3.872 6.981 -26.965 1.00 0.00 C ATOM 1977 CG GLU B 31 4.644 6.071 -27.915 1.00 0.00 C ATOM 1978 CD GLU B 31 5.998 5.745 -27.288 1.00 0.00 C ATOM 1979 OE1 GLU B 31 6.847 6.617 -27.284 1.00 0.00 O ATOM 1980 OE2 GLU B 31 6.158 4.634 -26.811 1.00 0.00 O ATOM 0 H GLU B 31 3.592 8.605 -28.882 1.00 0.00 H new ATOM 0 HA GLU B 31 2.024 6.405 -27.879 1.00 0.00 H new ATOM 0 HB2 GLU B 31 4.439 7.894 -26.783 1.00 0.00 H new ATOM 0 HB3 GLU B 31 3.744 6.488 -26.001 1.00 0.00 H new ATOM 0 HG2 GLU B 31 4.083 5.155 -28.100 1.00 0.00 H new ATOM 0 HG3 GLU B 31 4.782 6.561 -28.879 1.00 0.00 H new ATOM 1987 N LEU B 32 1.827 9.329 -26.413 1.00 0.00 N ATOM 1988 CA LEU B 32 1.064 10.105 -25.404 1.00 0.00 C ATOM 1989 C LEU B 32 -0.427 9.905 -25.667 1.00 0.00 C ATOM 1990 O LEU B 32 -1.214 9.781 -24.762 1.00 0.00 O ATOM 1991 CB LEU B 32 1.432 11.588 -25.520 1.00 0.00 C ATOM 1992 CG LEU B 32 0.660 12.415 -24.483 1.00 0.00 C ATOM 1993 CD1 LEU B 32 0.989 11.921 -23.061 1.00 0.00 C ATOM 1994 CD2 LEU B 32 1.071 13.885 -24.623 1.00 0.00 C ATOM 0 H LEU B 32 2.446 9.883 -27.005 1.00 0.00 H new ATOM 0 HA LEU B 32 1.305 9.764 -24.397 1.00 0.00 H new ATOM 0 HB2 LEU B 32 2.504 11.716 -25.371 1.00 0.00 H new ATOM 0 HB3 LEU B 32 1.205 11.948 -26.523 1.00 0.00 H new ATOM 0 HG LEU B 32 -0.411 12.307 -24.652 1.00 0.00 H new ATOM 0 HD11 LEU B 32 0.436 12.514 -22.333 1.00 0.00 H new ATOM 0 HD12 LEU B 32 0.706 10.873 -22.965 1.00 0.00 H new ATOM 0 HD13 LEU B 32 2.058 12.026 -22.878 1.00 0.00 H new ATOM 0 HD21 LEU B 32 0.530 14.485 -23.892 1.00 0.00 H new ATOM 0 HD22 LEU B 32 2.143 13.981 -24.450 1.00 0.00 H new ATOM 0 HD23 LEU B 32 0.833 14.235 -25.627 1.00 0.00 H new ATOM 2006 N LYS B 33 -0.810 9.873 -26.910 1.00 0.00 N ATOM 2007 CA LYS B 33 -2.252 9.673 -27.264 1.00 0.00 C ATOM 2008 C LYS B 33 -2.748 8.328 -26.711 1.00 0.00 C ATOM 2009 O LYS B 33 -3.864 8.214 -26.244 1.00 0.00 O ATOM 2010 CB LYS B 33 -2.367 9.684 -28.805 1.00 0.00 C ATOM 2011 CG LYS B 33 -3.775 9.282 -29.289 1.00 0.00 C ATOM 2012 CD LYS B 33 -4.787 10.375 -28.947 1.00 0.00 C ATOM 2013 CE LYS B 33 -6.111 10.073 -29.649 1.00 0.00 C ATOM 2014 NZ LYS B 33 -6.541 8.683 -29.326 1.00 0.00 N ATOM 0 H LYS B 33 -0.184 9.977 -27.708 1.00 0.00 H new ATOM 0 HA LYS B 33 -2.862 10.466 -26.831 1.00 0.00 H new ATOM 0 HB2 LYS B 33 -2.127 10.680 -29.178 1.00 0.00 H new ATOM 0 HB3 LYS B 33 -1.631 9.000 -29.227 1.00 0.00 H new ATOM 0 HG2 LYS B 33 -3.762 9.113 -30.366 1.00 0.00 H new ATOM 0 HG3 LYS B 33 -4.073 8.343 -28.823 1.00 0.00 H new ATOM 0 HD2 LYS B 33 -4.937 10.424 -27.868 1.00 0.00 H new ATOM 0 HD3 LYS B 33 -4.409 11.348 -29.261 1.00 0.00 H new ATOM 0 HE2 LYS B 33 -6.874 10.784 -29.331 1.00 0.00 H new ATOM 0 HE3 LYS B 33 -5.998 10.188 -30.727 1.00 0.00 H new ATOM 0 HZ1 LYS B 33 -6.406 8.076 -30.159 1.00 0.00 H new ATOM 0 HZ2 LYS B 33 -5.971 8.318 -28.536 1.00 0.00 H new ATOM 0 HZ3 LYS B 33 -7.546 8.684 -29.057 1.00 0.00 H new ATOM 2028 N GLU B 34 -1.943 7.305 -26.785 1.00 0.00 N ATOM 2029 CA GLU B 34 -2.378 5.972 -26.295 1.00 0.00 C ATOM 2030 C GLU B 34 -2.470 5.969 -24.773 1.00 0.00 C ATOM 2031 O GLU B 34 -3.349 5.373 -24.201 1.00 0.00 O ATOM 2032 CB GLU B 34 -1.389 4.907 -26.771 1.00 0.00 C ATOM 2033 CG GLU B 34 -1.481 4.772 -28.294 1.00 0.00 C ATOM 2034 CD GLU B 34 -2.823 4.146 -28.675 1.00 0.00 C ATOM 2035 OE1 GLU B 34 -3.321 3.344 -27.902 1.00 0.00 O ATOM 2036 OE2 GLU B 34 -3.333 4.482 -29.731 1.00 0.00 O ATOM 0 H GLU B 34 -0.998 7.338 -27.166 1.00 0.00 H new ATOM 0 HA GLU B 34 -3.366 5.748 -26.696 1.00 0.00 H new ATOM 0 HB2 GLU B 34 -0.375 5.181 -26.480 1.00 0.00 H new ATOM 0 HB3 GLU B 34 -1.610 3.951 -26.296 1.00 0.00 H new ATOM 0 HG2 GLU B 34 -1.379 5.751 -28.762 1.00 0.00 H new ATOM 0 HG3 GLU B 34 -0.662 4.155 -28.664 1.00 0.00 H new ATOM 2043 N LEU B 35 -1.563 6.611 -24.108 1.00 0.00 N ATOM 2044 CA LEU B 35 -1.621 6.627 -22.625 1.00 0.00 C ATOM 2045 C LEU B 35 -2.880 7.350 -22.169 1.00 0.00 C ATOM 2046 O LEU B 35 -3.622 6.876 -21.339 1.00 0.00 O ATOM 2047 CB LEU B 35 -0.391 7.362 -22.084 1.00 0.00 C ATOM 2048 CG LEU B 35 -0.462 7.461 -20.532 1.00 0.00 C ATOM 2049 CD1 LEU B 35 0.947 7.350 -19.932 1.00 0.00 C ATOM 2050 CD2 LEU B 35 -1.091 8.805 -20.094 1.00 0.00 C ATOM 0 H LEU B 35 -0.785 7.125 -24.522 1.00 0.00 H new ATOM 0 HA LEU B 35 -1.637 5.604 -22.250 1.00 0.00 H new ATOM 0 HB2 LEU B 35 0.516 6.835 -22.381 1.00 0.00 H new ATOM 0 HB3 LEU B 35 -0.336 8.361 -22.517 1.00 0.00 H new ATOM 0 HG LEU B 35 -1.084 6.642 -20.171 1.00 0.00 H new ATOM 0 HD11 LEU B 35 0.887 7.420 -18.846 1.00 0.00 H new ATOM 0 HD12 LEU B 35 1.386 6.392 -20.210 1.00 0.00 H new ATOM 0 HD13 LEU B 35 1.570 8.159 -20.314 1.00 0.00 H new ATOM 0 HD21 LEU B 35 -1.130 8.851 -19.006 1.00 0.00 H new ATOM 0 HD22 LEU B 35 -0.486 9.630 -20.471 1.00 0.00 H new ATOM 0 HD23 LEU B 35 -2.101 8.882 -20.497 1.00 0.00 H new ATOM 2062 N ILE B 36 -3.098 8.514 -22.687 1.00 0.00 N ATOM 2063 CA ILE B 36 -4.274 9.322 -22.271 1.00 0.00 C ATOM 2064 C ILE B 36 -5.575 8.744 -22.840 1.00 0.00 C ATOM 2065 O ILE B 36 -6.583 8.692 -22.164 1.00 0.00 O ATOM 2066 CB ILE B 36 -4.069 10.753 -22.778 1.00 0.00 C ATOM 2067 CG1 ILE B 36 -2.730 11.281 -22.255 1.00 0.00 C ATOM 2068 CG2 ILE B 36 -5.188 11.665 -22.267 1.00 0.00 C ATOM 2069 CD1 ILE B 36 -2.474 12.679 -22.821 1.00 0.00 C ATOM 0 H ILE B 36 -2.505 8.951 -23.392 1.00 0.00 H new ATOM 0 HA ILE B 36 -4.359 9.307 -21.184 1.00 0.00 H new ATOM 0 HB ILE B 36 -4.080 10.746 -23.868 1.00 0.00 H new ATOM 0 HG12 ILE B 36 -2.741 11.315 -21.166 1.00 0.00 H new ATOM 0 HG13 ILE B 36 -1.924 10.607 -22.544 1.00 0.00 H new ATOM 0 HG21 ILE B 36 -5.028 12.678 -22.636 1.00 0.00 H new ATOM 0 HG22 ILE B 36 -6.150 11.296 -22.624 1.00 0.00 H new ATOM 0 HG23 ILE B 36 -5.184 11.671 -21.177 1.00 0.00 H new ATOM 0 HD11 ILE B 36 -1.521 13.054 -22.448 1.00 0.00 H new ATOM 0 HD12 ILE B 36 -2.444 12.631 -23.910 1.00 0.00 H new ATOM 0 HD13 ILE B 36 -3.274 13.350 -22.509 1.00 0.00 H new ATOM 2081 N ASN B 37 -5.582 8.346 -24.080 1.00 0.00 N ATOM 2082 CA ASN B 37 -6.841 7.820 -24.675 1.00 0.00 C ATOM 2083 C ASN B 37 -7.223 6.465 -24.073 1.00 0.00 C ATOM 2084 O ASN B 37 -8.386 6.164 -23.887 1.00 0.00 O ATOM 2085 CB ASN B 37 -6.656 7.664 -26.187 1.00 0.00 C ATOM 2086 CG ASN B 37 -7.990 7.278 -26.831 1.00 0.00 C ATOM 2087 OD1 ASN B 37 -9.099 7.772 -26.353 1.00 0.00 O flip ATOM 2088 ND2 ASN B 37 -8.023 6.522 -27.782 1.00 0.00 N flip ATOM 0 H ASN B 37 -4.776 8.362 -24.705 1.00 0.00 H new ATOM 0 HA ASN B 37 -7.642 8.527 -24.458 1.00 0.00 H new ATOM 0 HB2 ASN B 37 -6.290 8.596 -26.617 1.00 0.00 H new ATOM 0 HB3 ASN B 37 -5.906 6.901 -26.395 1.00 0.00 H new ATOM 0 HD21 ASN B 37 -7.157 6.135 -28.156 1.00 0.00 H new ATOM 0 HD22 ASN B 37 -8.917 6.274 -28.206 1.00 0.00 H new ATOM 2095 N ASN B 38 -6.259 5.626 -23.824 1.00 0.00 N ATOM 2096 CA ASN B 38 -6.559 4.249 -23.296 1.00 0.00 C ATOM 2097 C ASN B 38 -6.384 4.120 -21.776 1.00 0.00 C ATOM 2098 O ASN B 38 -7.089 3.361 -21.142 1.00 0.00 O ATOM 2099 CB ASN B 38 -5.626 3.245 -23.971 1.00 0.00 C ATOM 2100 CG ASN B 38 -5.995 1.827 -23.525 1.00 0.00 C ATOM 2101 OD1 ASN B 38 -7.229 1.560 -23.191 1.00 0.00 O flip ATOM 2102 ND2 ASN B 38 -5.152 0.954 -23.479 1.00 0.00 N flip ATOM 0 H ASN B 38 -5.268 5.827 -23.961 1.00 0.00 H new ATOM 0 HA ASN B 38 -7.607 4.052 -23.520 1.00 0.00 H new ATOM 0 HB2 ASN B 38 -5.706 3.329 -25.055 1.00 0.00 H new ATOM 0 HB3 ASN B 38 -4.590 3.462 -23.710 1.00 0.00 H new ATOM 0 HD21 ASN B 38 -4.188 1.162 -23.740 1.00 0.00 H new ATOM 0 HD22 ASN B 38 -5.408 0.013 -23.180 1.00 0.00 H new ATOM 2109 N GLU B 39 -5.439 4.794 -21.176 1.00 0.00 N ATOM 2110 CA GLU B 39 -5.250 4.603 -19.702 1.00 0.00 C ATOM 2111 C GLU B 39 -6.285 5.417 -18.928 1.00 0.00 C ATOM 2112 O GLU B 39 -6.449 5.241 -17.737 1.00 0.00 O ATOM 2113 CB GLU B 39 -3.835 5.037 -19.284 1.00 0.00 C ATOM 2114 CG GLU B 39 -3.494 4.423 -17.925 1.00 0.00 C ATOM 2115 CD GLU B 39 -2.089 4.859 -17.516 1.00 0.00 C ATOM 2116 OE1 GLU B 39 -1.149 4.197 -17.917 1.00 0.00 O ATOM 2117 OE2 GLU B 39 -1.976 5.852 -16.817 1.00 0.00 O ATOM 0 H GLU B 39 -4.803 5.453 -21.625 1.00 0.00 H new ATOM 0 HA GLU B 39 -5.380 3.546 -19.472 1.00 0.00 H new ATOM 0 HB2 GLU B 39 -3.109 4.717 -20.032 1.00 0.00 H new ATOM 0 HB3 GLU B 39 -3.778 6.124 -19.229 1.00 0.00 H new ATOM 0 HG2 GLU B 39 -4.219 4.742 -17.176 1.00 0.00 H new ATOM 0 HG3 GLU B 39 -3.549 3.336 -17.980 1.00 0.00 H new ATOM 2124 N LEU B 40 -6.995 6.290 -19.595 1.00 0.00 N ATOM 2125 CA LEU B 40 -8.037 7.116 -18.906 1.00 0.00 C ATOM 2126 C LEU B 40 -9.406 6.783 -19.504 1.00 0.00 C ATOM 2127 O LEU B 40 -10.180 7.658 -19.837 1.00 0.00 O ATOM 2128 CB LEU B 40 -7.738 8.598 -19.131 1.00 0.00 C ATOM 2129 CG LEU B 40 -6.260 8.883 -18.838 1.00 0.00 C ATOM 2130 CD1 LEU B 40 -5.981 10.374 -19.053 1.00 0.00 C ATOM 2131 CD2 LEU B 40 -5.927 8.500 -17.390 1.00 0.00 C ATOM 0 H LEU B 40 -6.898 6.469 -20.595 1.00 0.00 H new ATOM 0 HA LEU B 40 -8.034 6.901 -17.837 1.00 0.00 H new ATOM 0 HB2 LEU B 40 -7.974 8.873 -20.159 1.00 0.00 H new ATOM 0 HB3 LEU B 40 -8.370 9.208 -18.485 1.00 0.00 H new ATOM 0 HG LEU B 40 -5.639 8.292 -19.511 1.00 0.00 H new ATOM 0 HD11 LEU B 40 -4.931 10.581 -18.846 1.00 0.00 H new ATOM 0 HD12 LEU B 40 -6.207 10.641 -20.085 1.00 0.00 H new ATOM 0 HD13 LEU B 40 -6.606 10.962 -18.381 1.00 0.00 H new ATOM 0 HD21 LEU B 40 -4.875 8.706 -17.192 1.00 0.00 H new ATOM 0 HD22 LEU B 40 -6.546 9.083 -16.708 1.00 0.00 H new ATOM 0 HD23 LEU B 40 -6.123 7.438 -17.240 1.00 0.00 H new ATOM 2143 N SER B 41 -9.700 5.521 -19.659 1.00 0.00 N ATOM 2144 CA SER B 41 -11.006 5.124 -20.256 1.00 0.00 C ATOM 2145 C SER B 41 -12.165 5.652 -19.406 1.00 0.00 C ATOM 2146 O SER B 41 -13.168 6.092 -19.933 1.00 0.00 O ATOM 2147 CB SER B 41 -11.088 3.599 -20.321 1.00 0.00 C ATOM 2148 OG SER B 41 -10.080 3.110 -21.198 1.00 0.00 O ATOM 0 H SER B 41 -9.090 4.746 -19.397 1.00 0.00 H new ATOM 0 HA SER B 41 -11.078 5.548 -21.258 1.00 0.00 H new ATOM 0 HB2 SER B 41 -10.958 3.174 -19.326 1.00 0.00 H new ATOM 0 HB3 SER B 41 -12.073 3.291 -20.673 1.00 0.00 H new ATOM 0 HG SER B 41 -9.196 3.331 -20.836 1.00 0.00 H new ATOM 2154 N HIS B 42 -12.045 5.605 -18.099 1.00 0.00 N ATOM 2155 CA HIS B 42 -13.152 6.098 -17.212 1.00 0.00 C ATOM 2156 C HIS B 42 -12.619 7.142 -16.228 1.00 0.00 C ATOM 2157 O HIS B 42 -13.372 7.755 -15.499 1.00 0.00 O ATOM 2158 CB HIS B 42 -13.732 4.921 -16.428 1.00 0.00 C ATOM 2159 CG HIS B 42 -14.921 5.392 -15.639 1.00 0.00 C ATOM 2160 ND1 HIS B 42 -14.842 5.679 -14.283 1.00 0.00 N ATOM 2161 CD2 HIS B 42 -16.222 5.641 -16.001 1.00 0.00 C ATOM 2162 CE1 HIS B 42 -16.062 6.081 -13.882 1.00 0.00 C ATOM 2163 NE2 HIS B 42 -16.936 6.076 -14.891 1.00 0.00 N ATOM 0 H HIS B 42 -11.227 5.246 -17.606 1.00 0.00 H new ATOM 0 HA HIS B 42 -13.925 6.554 -17.831 1.00 0.00 H new ATOM 0 HB2 HIS B 42 -14.026 4.123 -17.110 1.00 0.00 H new ATOM 0 HB3 HIS B 42 -12.978 4.507 -15.759 1.00 0.00 H new ATOM 0 HD2 HIS B 42 -16.627 5.518 -16.994 1.00 0.00 H new ATOM 0 HE1 HIS B 42 -16.304 6.371 -12.870 1.00 0.00 H new ATOM 0 HE2 HIS B 42 -17.921 6.337 -14.855 1.00 0.00 H new ATOM 2172 N PHE B 43 -11.335 7.352 -16.196 1.00 0.00 N ATOM 2173 CA PHE B 43 -10.776 8.360 -15.251 1.00 0.00 C ATOM 2174 C PHE B 43 -11.353 9.740 -15.607 1.00 0.00 C ATOM 2175 O PHE B 43 -11.831 10.469 -14.761 1.00 0.00 O ATOM 2176 CB PHE B 43 -9.240 8.375 -15.399 1.00 0.00 C ATOM 2177 CG PHE B 43 -8.549 8.704 -14.084 1.00 0.00 C ATOM 2178 CD1 PHE B 43 -9.132 9.578 -13.153 1.00 0.00 C ATOM 2179 CD2 PHE B 43 -7.304 8.128 -13.805 1.00 0.00 C ATOM 2180 CE1 PHE B 43 -8.471 9.869 -11.953 1.00 0.00 C ATOM 2181 CE2 PHE B 43 -6.645 8.421 -12.607 1.00 0.00 C ATOM 2182 CZ PHE B 43 -7.227 9.290 -11.681 1.00 0.00 C ATOM 0 H PHE B 43 -10.649 6.873 -16.780 1.00 0.00 H new ATOM 0 HA PHE B 43 -11.038 8.113 -14.222 1.00 0.00 H new ATOM 0 HB2 PHE B 43 -8.900 7.403 -15.755 1.00 0.00 H new ATOM 0 HB3 PHE B 43 -8.955 9.108 -16.153 1.00 0.00 H new ATOM 0 HD1 PHE B 43 -10.092 10.027 -13.362 1.00 0.00 H new ATOM 0 HD2 PHE B 43 -6.851 7.455 -14.518 1.00 0.00 H new ATOM 0 HE1 PHE B 43 -8.922 10.541 -11.237 1.00 0.00 H new ATOM 0 HE2 PHE B 43 -5.684 7.975 -12.397 1.00 0.00 H new ATOM 0 HZ PHE B 43 -6.717 9.515 -10.756 1.00 0.00 H new ATOM 2192 N LEU B 44 -11.308 10.101 -16.861 1.00 0.00 N ATOM 2193 CA LEU B 44 -11.838 11.434 -17.271 1.00 0.00 C ATOM 2194 C LEU B 44 -12.086 11.475 -18.770 1.00 0.00 C ATOM 2195 O LEU B 44 -11.928 10.498 -19.475 1.00 0.00 O ATOM 2196 CB LEU B 44 -10.838 12.539 -16.902 1.00 0.00 C ATOM 2197 CG LEU B 44 -9.402 12.189 -17.396 1.00 0.00 C ATOM 2198 CD1 LEU B 44 -9.090 12.939 -18.701 1.00 0.00 C ATOM 2199 CD2 LEU B 44 -8.366 12.596 -16.334 1.00 0.00 C ATOM 0 H LEU B 44 -10.928 9.532 -17.618 1.00 0.00 H new ATOM 0 HA LEU B 44 -12.779 11.598 -16.746 1.00 0.00 H new ATOM 0 HB2 LEU B 44 -11.157 13.483 -17.343 1.00 0.00 H new ATOM 0 HB3 LEU B 44 -10.829 12.679 -15.821 1.00 0.00 H new ATOM 0 HG LEU B 44 -9.352 11.114 -17.570 1.00 0.00 H new ATOM 0 HD11 LEU B 44 -8.084 12.685 -19.035 1.00 0.00 H new ATOM 0 HD12 LEU B 44 -9.810 12.651 -19.467 1.00 0.00 H new ATOM 0 HD13 LEU B 44 -9.155 14.013 -18.528 1.00 0.00 H new ATOM 0 HD21 LEU B 44 -7.365 12.348 -16.688 1.00 0.00 H new ATOM 0 HD22 LEU B 44 -8.431 13.669 -16.154 1.00 0.00 H new ATOM 0 HD23 LEU B 44 -8.566 12.060 -15.406 1.00 0.00 H new ATOM 2211 N GLU B 45 -12.484 12.614 -19.255 1.00 0.00 N ATOM 2212 CA GLU B 45 -12.760 12.751 -20.702 1.00 0.00 C ATOM 2213 C GLU B 45 -11.532 12.309 -21.498 1.00 0.00 C ATOM 2214 O GLU B 45 -10.590 13.055 -21.682 1.00 0.00 O ATOM 2215 CB GLU B 45 -13.077 14.214 -21.015 1.00 0.00 C ATOM 2216 CG GLU B 45 -13.535 14.339 -22.466 1.00 0.00 C ATOM 2217 CD GLU B 45 -14.907 13.683 -22.625 1.00 0.00 C ATOM 2218 OE1 GLU B 45 -15.581 13.517 -21.621 1.00 0.00 O ATOM 2219 OE2 GLU B 45 -15.260 13.359 -23.746 1.00 0.00 O ATOM 0 H GLU B 45 -12.630 13.460 -18.705 1.00 0.00 H new ATOM 0 HA GLU B 45 -13.610 12.126 -20.977 1.00 0.00 H new ATOM 0 HB2 GLU B 45 -13.855 14.580 -20.345 1.00 0.00 H new ATOM 0 HB3 GLU B 45 -12.195 14.832 -20.847 1.00 0.00 H new ATOM 0 HG2 GLU B 45 -13.587 15.389 -22.753 1.00 0.00 H new ATOM 0 HG3 GLU B 45 -12.813 13.862 -23.129 1.00 0.00 H new ATOM 2226 N GLU B 46 -11.547 11.101 -21.976 1.00 0.00 N ATOM 2227 CA GLU B 46 -10.394 10.593 -22.774 1.00 0.00 C ATOM 2228 C GLU B 46 -10.268 11.430 -24.055 1.00 0.00 C ATOM 2229 O GLU B 46 -11.184 12.128 -24.442 1.00 0.00 O ATOM 2230 CB GLU B 46 -10.613 9.104 -23.109 1.00 0.00 C ATOM 2231 CG GLU B 46 -11.541 8.945 -24.323 1.00 0.00 C ATOM 2232 CD GLU B 46 -11.979 7.485 -24.445 1.00 0.00 C ATOM 2233 OE1 GLU B 46 -11.144 6.662 -24.784 1.00 0.00 O ATOM 2234 OE2 GLU B 46 -13.143 7.214 -24.199 1.00 0.00 O ATOM 0 H GLU B 46 -12.311 10.437 -21.850 1.00 0.00 H new ATOM 0 HA GLU B 46 -9.471 10.682 -22.202 1.00 0.00 H new ATOM 0 HB2 GLU B 46 -9.654 8.629 -23.315 1.00 0.00 H new ATOM 0 HB3 GLU B 46 -11.044 8.593 -22.248 1.00 0.00 H new ATOM 0 HG2 GLU B 46 -12.413 9.589 -24.214 1.00 0.00 H new ATOM 0 HG3 GLU B 46 -11.026 9.258 -25.231 1.00 0.00 H new ATOM 2241 N ILE B 47 -9.139 11.379 -24.704 1.00 0.00 N ATOM 2242 CA ILE B 47 -8.954 12.185 -25.943 1.00 0.00 C ATOM 2243 C ILE B 47 -9.614 11.479 -27.124 1.00 0.00 C ATOM 2244 O ILE B 47 -9.534 10.275 -27.266 1.00 0.00 O ATOM 2245 CB ILE B 47 -7.460 12.348 -26.254 1.00 0.00 C ATOM 2246 CG1 ILE B 47 -6.696 12.854 -25.009 1.00 0.00 C ATOM 2247 CG2 ILE B 47 -7.283 13.332 -27.425 1.00 0.00 C ATOM 2248 CD1 ILE B 47 -6.811 14.376 -24.870 1.00 0.00 C ATOM 0 H ILE B 47 -8.335 10.814 -24.430 1.00 0.00 H new ATOM 0 HA ILE B 47 -9.408 13.163 -25.785 1.00 0.00 H new ATOM 0 HB ILE B 47 -7.049 11.378 -26.533 1.00 0.00 H new ATOM 0 HG12 ILE B 47 -7.093 12.373 -24.115 1.00 0.00 H new ATOM 0 HG13 ILE B 47 -5.646 12.571 -25.083 1.00 0.00 H new ATOM 0 HG21 ILE B 47 -6.222 13.448 -27.646 1.00 0.00 H new ATOM 0 HG22 ILE B 47 -7.797 12.946 -28.305 1.00 0.00 H new ATOM 0 HG23 ILE B 47 -7.705 14.300 -27.154 1.00 0.00 H new ATOM 0 HD11 ILE B 47 -6.264 14.703 -23.986 1.00 0.00 H new ATOM 0 HD12 ILE B 47 -6.391 14.855 -25.754 1.00 0.00 H new ATOM 0 HD13 ILE B 47 -7.860 14.654 -24.771 1.00 0.00 H new ATOM 2260 N LYS B 48 -10.258 12.232 -27.977 1.00 0.00 N ATOM 2261 CA LYS B 48 -10.929 11.643 -29.173 1.00 0.00 C ATOM 2262 C LYS B 48 -10.211 12.135 -30.432 1.00 0.00 C ATOM 2263 O LYS B 48 -10.217 11.485 -31.459 1.00 0.00 O ATOM 2264 CB LYS B 48 -12.396 12.105 -29.190 1.00 0.00 C ATOM 2265 CG LYS B 48 -12.938 12.175 -27.740 1.00 0.00 C ATOM 2266 CD LYS B 48 -12.795 13.597 -27.171 1.00 0.00 C ATOM 2267 CE LYS B 48 -13.561 13.694 -25.852 1.00 0.00 C ATOM 2268 NZ LYS B 48 -15.025 13.729 -26.132 1.00 0.00 N ATOM 0 H LYS B 48 -10.348 13.245 -27.894 1.00 0.00 H new ATOM 0 HA LYS B 48 -10.891 10.554 -29.138 1.00 0.00 H new ATOM 0 HB2 LYS B 48 -12.474 13.083 -29.665 1.00 0.00 H new ATOM 0 HB3 LYS B 48 -12.998 11.415 -29.781 1.00 0.00 H new ATOM 0 HG2 LYS B 48 -13.986 11.876 -27.724 1.00 0.00 H new ATOM 0 HG3 LYS B 48 -12.396 11.470 -27.110 1.00 0.00 H new ATOM 0 HD2 LYS B 48 -11.743 13.833 -27.012 1.00 0.00 H new ATOM 0 HD3 LYS B 48 -13.181 14.326 -27.883 1.00 0.00 H new ATOM 0 HE2 LYS B 48 -13.321 12.842 -25.216 1.00 0.00 H new ATOM 0 HE3 LYS B 48 -13.262 14.591 -25.310 1.00 0.00 H new ATOM 0 HZ1 LYS B 48 -15.548 13.795 -25.236 1.00 0.00 H new ATOM 0 HZ2 LYS B 48 -15.246 14.555 -26.723 1.00 0.00 H new ATOM 0 HZ3 LYS B 48 -15.304 12.861 -26.632 1.00 0.00 H new ATOM 2282 N GLU B 49 -9.593 13.289 -30.347 1.00 0.00 N ATOM 2283 CA GLU B 49 -8.861 13.865 -31.522 1.00 0.00 C ATOM 2284 C GLU B 49 -7.393 14.083 -31.177 1.00 0.00 C ATOM 2285 O GLU B 49 -7.038 14.409 -30.061 1.00 0.00 O ATOM 2286 CB GLU B 49 -9.466 15.217 -31.904 1.00 0.00 C ATOM 2287 CG GLU B 49 -10.848 15.028 -32.518 1.00 0.00 C ATOM 2288 CD GLU B 49 -10.726 14.298 -33.858 1.00 0.00 C ATOM 2289 OE1 GLU B 49 -10.049 14.814 -34.732 1.00 0.00 O ATOM 2290 OE2 GLU B 49 -11.314 13.237 -33.988 1.00 0.00 O ATOM 0 H GLU B 49 -9.564 13.863 -29.504 1.00 0.00 H new ATOM 0 HA GLU B 49 -8.948 13.164 -32.352 1.00 0.00 H new ATOM 0 HB2 GLU B 49 -9.537 15.853 -31.021 1.00 0.00 H new ATOM 0 HB3 GLU B 49 -8.813 15.727 -32.612 1.00 0.00 H new ATOM 0 HG2 GLU B 49 -11.482 14.458 -31.839 1.00 0.00 H new ATOM 0 HG3 GLU B 49 -11.327 15.996 -32.664 1.00 0.00 H new ATOM 2297 N GLN B 50 -6.545 13.931 -32.147 1.00 0.00 N ATOM 2298 CA GLN B 50 -5.096 14.149 -31.925 1.00 0.00 C ATOM 2299 C GLN B 50 -4.850 15.646 -31.711 1.00 0.00 C ATOM 2300 O GLN B 50 -3.845 16.038 -31.162 1.00 0.00 O ATOM 2301 CB GLN B 50 -4.325 13.664 -33.160 1.00 0.00 C ATOM 2302 CG GLN B 50 -2.816 13.720 -32.897 1.00 0.00 C ATOM 2303 CD GLN B 50 -2.441 12.715 -31.804 1.00 0.00 C ATOM 2304 OE1 GLN B 50 -3.278 11.764 -31.490 1.00 0.00 O flip ATOM 2305 NE2 GLN B 50 -1.372 12.796 -31.232 1.00 0.00 N flip ATOM 0 H GLN B 50 -6.798 13.661 -33.098 1.00 0.00 H new ATOM 0 HA GLN B 50 -4.758 13.596 -31.049 1.00 0.00 H new ATOM 0 HB2 GLN B 50 -4.621 12.644 -33.405 1.00 0.00 H new ATOM 0 HB3 GLN B 50 -4.575 14.284 -34.021 1.00 0.00 H new ATOM 0 HG2 GLN B 50 -2.270 13.495 -33.813 1.00 0.00 H new ATOM 0 HG3 GLN B 50 -2.528 14.726 -32.593 1.00 0.00 H new ATOM 0 HE21 GLN B 50 -0.718 13.539 -31.477 1.00 0.00 H new ATOM 0 HE22 GLN B 50 -1.129 12.121 -30.507 1.00 0.00 H new ATOM 2314 N GLU B 51 -5.752 16.491 -32.155 1.00 0.00 N ATOM 2315 CA GLU B 51 -5.539 17.964 -31.980 1.00 0.00 C ATOM 2316 C GLU B 51 -5.430 18.318 -30.499 1.00 0.00 C ATOM 2317 O GLU B 51 -4.625 19.136 -30.114 1.00 0.00 O ATOM 2318 CB GLU B 51 -6.708 18.731 -32.612 1.00 0.00 C ATOM 2319 CG GLU B 51 -7.957 18.607 -31.731 1.00 0.00 C ATOM 2320 CD GLU B 51 -9.183 19.085 -32.511 1.00 0.00 C ATOM 2321 OE1 GLU B 51 -9.001 19.807 -33.478 1.00 0.00 O ATOM 2322 OE2 GLU B 51 -10.283 18.719 -32.130 1.00 0.00 O ATOM 0 H GLU B 51 -6.618 16.228 -32.626 1.00 0.00 H new ATOM 0 HA GLU B 51 -4.608 18.245 -32.473 1.00 0.00 H new ATOM 0 HB2 GLU B 51 -6.441 19.781 -32.733 1.00 0.00 H new ATOM 0 HB3 GLU B 51 -6.915 18.338 -33.607 1.00 0.00 H new ATOM 0 HG2 GLU B 51 -8.093 17.572 -31.419 1.00 0.00 H new ATOM 0 HG3 GLU B 51 -7.836 19.200 -30.825 1.00 0.00 H new ATOM 2329 N VAL B 52 -6.226 17.716 -29.666 1.00 0.00 N ATOM 2330 CA VAL B 52 -6.144 18.034 -28.217 1.00 0.00 C ATOM 2331 C VAL B 52 -4.751 17.700 -27.738 1.00 0.00 C ATOM 2332 O VAL B 52 -4.167 18.407 -26.953 1.00 0.00 O ATOM 2333 CB VAL B 52 -7.158 17.202 -27.445 1.00 0.00 C ATOM 2334 CG1 VAL B 52 -7.087 17.553 -25.958 1.00 0.00 C ATOM 2335 CG2 VAL B 52 -8.560 17.484 -27.980 1.00 0.00 C ATOM 0 H VAL B 52 -6.927 17.021 -29.923 1.00 0.00 H new ATOM 0 HA VAL B 52 -6.360 19.090 -28.055 1.00 0.00 H new ATOM 0 HB VAL B 52 -6.932 16.143 -27.571 1.00 0.00 H new ATOM 0 HG11 VAL B 52 -7.814 16.956 -25.408 1.00 0.00 H new ATOM 0 HG12 VAL B 52 -6.086 17.343 -25.582 1.00 0.00 H new ATOM 0 HG13 VAL B 52 -7.310 18.611 -25.823 1.00 0.00 H new ATOM 0 HG21 VAL B 52 -9.287 16.888 -27.428 1.00 0.00 H new ATOM 0 HG22 VAL B 52 -8.790 18.542 -27.858 1.00 0.00 H new ATOM 0 HG23 VAL B 52 -8.605 17.223 -29.037 1.00 0.00 H new ATOM 2345 N VAL B 53 -4.224 16.617 -28.207 1.00 0.00 N ATOM 2346 CA VAL B 53 -2.864 16.214 -27.794 1.00 0.00 C ATOM 2347 C VAL B 53 -1.869 17.274 -28.245 1.00 0.00 C ATOM 2348 O VAL B 53 -0.929 17.571 -27.555 1.00 0.00 O ATOM 2349 CB VAL B 53 -2.525 14.869 -28.426 1.00 0.00 C ATOM 2350 CG1 VAL B 53 -1.162 14.403 -27.924 1.00 0.00 C ATOM 2351 CG2 VAL B 53 -3.600 13.841 -28.044 1.00 0.00 C ATOM 0 H VAL B 53 -4.681 15.986 -28.866 1.00 0.00 H new ATOM 0 HA VAL B 53 -2.815 16.119 -26.709 1.00 0.00 H new ATOM 0 HB VAL B 53 -2.493 14.970 -29.511 1.00 0.00 H new ATOM 0 HG11 VAL B 53 -0.918 13.441 -28.375 1.00 0.00 H new ATOM 0 HG12 VAL B 53 -0.403 15.136 -28.199 1.00 0.00 H new ATOM 0 HG13 VAL B 53 -1.190 14.299 -26.839 1.00 0.00 H new ATOM 0 HG21 VAL B 53 -3.359 12.878 -28.495 1.00 0.00 H new ATOM 0 HG22 VAL B 53 -3.634 13.735 -26.960 1.00 0.00 H new ATOM 0 HG23 VAL B 53 -4.571 14.179 -28.406 1.00 0.00 H new ATOM 2361 N ASP B 54 -2.069 17.830 -29.407 1.00 0.00 N ATOM 2362 CA ASP B 54 -1.142 18.877 -29.921 1.00 0.00 C ATOM 2363 C ASP B 54 -1.162 20.079 -28.975 1.00 0.00 C ATOM 2364 O ASP B 54 -0.156 20.693 -28.693 1.00 0.00 O ATOM 2365 CB ASP B 54 -1.587 19.313 -31.319 1.00 0.00 C ATOM 2366 CG ASP B 54 -0.588 20.324 -31.884 1.00 0.00 C ATOM 2367 OD1 ASP B 54 0.208 20.836 -31.114 1.00 0.00 O ATOM 2368 OD2 ASP B 54 -0.635 20.568 -33.078 1.00 0.00 O ATOM 0 H ASP B 54 -2.844 17.601 -30.030 1.00 0.00 H new ATOM 0 HA ASP B 54 -0.130 18.475 -29.976 1.00 0.00 H new ATOM 0 HB2 ASP B 54 -1.654 18.447 -31.977 1.00 0.00 H new ATOM 0 HB3 ASP B 54 -2.582 19.756 -31.273 1.00 0.00 H new ATOM 2373 N LYS B 55 -2.310 20.421 -28.488 1.00 0.00 N ATOM 2374 CA LYS B 55 -2.407 21.577 -27.554 1.00 0.00 C ATOM 2375 C LYS B 55 -1.644 21.214 -26.288 1.00 0.00 C ATOM 2376 O LYS B 55 -0.926 22.011 -25.708 1.00 0.00 O ATOM 2377 CB LYS B 55 -3.876 21.847 -27.221 1.00 0.00 C ATOM 2378 CG LYS B 55 -3.976 23.073 -26.310 1.00 0.00 C ATOM 2379 CD LYS B 55 -5.447 23.356 -25.976 1.00 0.00 C ATOM 2380 CE LYS B 55 -6.237 23.670 -27.260 1.00 0.00 C ATOM 2381 NZ LYS B 55 -6.852 22.416 -27.785 1.00 0.00 N ATOM 0 H LYS B 55 -3.193 19.953 -28.693 1.00 0.00 H new ATOM 0 HA LYS B 55 -1.986 22.475 -28.006 1.00 0.00 H new ATOM 0 HB2 LYS B 55 -4.443 22.014 -28.137 1.00 0.00 H new ATOM 0 HB3 LYS B 55 -4.314 20.978 -26.729 1.00 0.00 H new ATOM 0 HG2 LYS B 55 -3.412 22.903 -25.393 1.00 0.00 H new ATOM 0 HG3 LYS B 55 -3.532 23.939 -26.801 1.00 0.00 H new ATOM 0 HD2 LYS B 55 -5.885 22.494 -25.473 1.00 0.00 H new ATOM 0 HD3 LYS B 55 -5.515 24.196 -25.285 1.00 0.00 H new ATOM 0 HE2 LYS B 55 -7.012 24.408 -27.052 1.00 0.00 H new ATOM 0 HE3 LYS B 55 -5.576 24.105 -28.009 1.00 0.00 H new ATOM 0 HZ1 LYS B 55 -6.617 22.309 -28.792 1.00 0.00 H new ATOM 0 HZ2 LYS B 55 -6.484 21.600 -27.255 1.00 0.00 H new ATOM 0 HZ3 LYS B 55 -7.885 22.463 -27.674 1.00 0.00 H new ATOM 2395 N VAL B 56 -1.786 19.992 -25.878 1.00 0.00 N ATOM 2396 CA VAL B 56 -1.076 19.511 -24.671 1.00 0.00 C ATOM 2397 C VAL B 56 0.419 19.508 -24.970 1.00 0.00 C ATOM 2398 O VAL B 56 1.240 19.701 -24.097 1.00 0.00 O ATOM 2399 CB VAL B 56 -1.562 18.100 -24.330 1.00 0.00 C ATOM 2400 CG1 VAL B 56 -0.695 17.495 -23.226 1.00 0.00 C ATOM 2401 CG2 VAL B 56 -3.011 18.175 -23.845 1.00 0.00 C ATOM 0 H VAL B 56 -2.374 19.295 -26.336 1.00 0.00 H new ATOM 0 HA VAL B 56 -1.275 20.159 -23.817 1.00 0.00 H new ATOM 0 HB VAL B 56 -1.494 17.474 -25.219 1.00 0.00 H new ATOM 0 HG11 VAL B 56 -1.051 16.492 -22.993 1.00 0.00 H new ATOM 0 HG12 VAL B 56 0.340 17.444 -23.563 1.00 0.00 H new ATOM 0 HG13 VAL B 56 -0.755 18.118 -22.334 1.00 0.00 H new ATOM 0 HG21 VAL B 56 -3.365 17.174 -23.600 1.00 0.00 H new ATOM 0 HG22 VAL B 56 -3.066 18.806 -22.958 1.00 0.00 H new ATOM 0 HG23 VAL B 56 -3.636 18.599 -24.631 1.00 0.00 H new ATOM 2411 N MET B 57 0.778 19.308 -26.209 1.00 0.00 N ATOM 2412 CA MET B 57 2.224 19.313 -26.566 1.00 0.00 C ATOM 2413 C MET B 57 2.768 20.712 -26.318 1.00 0.00 C ATOM 2414 O MET B 57 3.881 20.887 -25.892 1.00 0.00 O ATOM 2415 CB MET B 57 2.423 18.911 -28.043 1.00 0.00 C ATOM 2416 CG MET B 57 2.529 17.367 -28.207 1.00 0.00 C ATOM 2417 SD MET B 57 4.137 16.966 -28.971 1.00 0.00 S ATOM 2418 CE MET B 57 4.762 15.710 -27.817 1.00 0.00 C ATOM 0 H MET B 57 0.137 19.142 -26.985 1.00 0.00 H new ATOM 0 HA MET B 57 2.760 18.588 -25.953 1.00 0.00 H new ATOM 0 HB2 MET B 57 1.589 19.284 -28.638 1.00 0.00 H new ATOM 0 HB3 MET B 57 3.327 19.382 -28.430 1.00 0.00 H new ATOM 0 HG2 MET B 57 2.439 16.877 -27.237 1.00 0.00 H new ATOM 0 HG3 MET B 57 1.713 16.996 -28.828 1.00 0.00 H new ATOM 0 HE1 MET B 57 5.745 16.008 -27.452 1.00 0.00 H new ATOM 0 HE2 MET B 57 4.076 15.615 -26.976 1.00 0.00 H new ATOM 0 HE3 MET B 57 4.841 14.752 -28.330 1.00 0.00 H new ATOM 2428 N GLU B 58 1.991 21.719 -26.549 1.00 0.00 N ATOM 2429 CA GLU B 58 2.508 23.082 -26.286 1.00 0.00 C ATOM 2430 C GLU B 58 2.951 23.116 -24.824 1.00 0.00 C ATOM 2431 O GLU B 58 3.966 23.689 -24.480 1.00 0.00 O ATOM 2432 CB GLU B 58 1.402 24.115 -26.529 1.00 0.00 C ATOM 2433 CG GLU B 58 1.945 25.521 -26.263 1.00 0.00 C ATOM 2434 CD GLU B 58 0.842 26.554 -26.509 1.00 0.00 C ATOM 2435 OE1 GLU B 58 -0.221 26.162 -26.961 1.00 0.00 O ATOM 2436 OE2 GLU B 58 1.083 27.721 -26.246 1.00 0.00 O ATOM 0 H GLU B 58 1.036 21.664 -26.902 1.00 0.00 H new ATOM 0 HA GLU B 58 3.340 23.321 -26.948 1.00 0.00 H new ATOM 0 HB2 GLU B 58 1.041 24.042 -27.555 1.00 0.00 H new ATOM 0 HB3 GLU B 58 0.552 23.913 -25.877 1.00 0.00 H new ATOM 0 HG2 GLU B 58 2.304 25.595 -25.236 1.00 0.00 H new ATOM 0 HG3 GLU B 58 2.796 25.722 -26.913 1.00 0.00 H new ATOM 2443 N THR B 59 2.194 22.491 -23.964 1.00 0.00 N ATOM 2444 CA THR B 59 2.560 22.466 -22.519 1.00 0.00 C ATOM 2445 C THR B 59 3.652 21.419 -22.229 1.00 0.00 C ATOM 2446 O THR B 59 4.581 21.681 -21.491 1.00 0.00 O ATOM 2447 CB THR B 59 1.308 22.141 -21.694 1.00 0.00 C ATOM 2448 OG1 THR B 59 0.267 23.039 -22.049 1.00 0.00 O ATOM 2449 CG2 THR B 59 1.605 22.280 -20.198 1.00 0.00 C ATOM 0 H THR B 59 1.335 21.995 -24.201 1.00 0.00 H new ATOM 0 HA THR B 59 2.955 23.445 -22.247 1.00 0.00 H new ATOM 0 HB THR B 59 1.004 21.115 -21.901 1.00 0.00 H new ATOM 0 HG1 THR B 59 -0.535 22.833 -21.525 1.00 0.00 H new ATOM 0 HG21 THR B 59 0.707 22.046 -19.626 1.00 0.00 H new ATOM 0 HG22 THR B 59 2.402 21.591 -19.920 1.00 0.00 H new ATOM 0 HG23 THR B 59 1.917 23.302 -19.982 1.00 0.00 H new ATOM 2457 N LEU B 60 3.536 20.229 -22.762 1.00 0.00 N ATOM 2458 CA LEU B 60 4.558 19.173 -22.463 1.00 0.00 C ATOM 2459 C LEU B 60 5.716 19.234 -23.449 1.00 0.00 C ATOM 2460 O LEU B 60 6.783 18.716 -23.188 1.00 0.00 O ATOM 2461 CB LEU B 60 3.907 17.794 -22.561 1.00 0.00 C ATOM 2462 CG LEU B 60 2.598 17.769 -21.771 1.00 0.00 C ATOM 2463 CD1 LEU B 60 2.108 16.323 -21.684 1.00 0.00 C ATOM 2464 CD2 LEU B 60 2.819 18.335 -20.361 1.00 0.00 C ATOM 0 H LEU B 60 2.784 19.941 -23.388 1.00 0.00 H new ATOM 0 HA LEU B 60 4.941 19.348 -21.457 1.00 0.00 H new ATOM 0 HB2 LEU B 60 3.714 17.548 -23.605 1.00 0.00 H new ATOM 0 HB3 LEU B 60 4.587 17.035 -22.175 1.00 0.00 H new ATOM 0 HG LEU B 60 1.852 18.384 -22.274 1.00 0.00 H new ATOM 0 HD11 LEU B 60 1.174 16.288 -21.123 1.00 0.00 H new ATOM 0 HD12 LEU B 60 1.942 15.934 -22.689 1.00 0.00 H new ATOM 0 HD13 LEU B 60 2.858 15.715 -21.178 1.00 0.00 H new ATOM 0 HD21 LEU B 60 1.880 18.312 -19.808 1.00 0.00 H new ATOM 0 HD22 LEU B 60 3.562 17.732 -19.839 1.00 0.00 H new ATOM 0 HD23 LEU B 60 3.172 19.364 -20.433 1.00 0.00 H new ATOM 2476 N ASP B 61 5.541 19.865 -24.570 1.00 0.00 N ATOM 2477 CA ASP B 61 6.674 19.946 -25.536 1.00 0.00 C ATOM 2478 C ASP B 61 7.568 21.078 -25.058 1.00 0.00 C ATOM 2479 O ASP B 61 7.753 22.083 -25.716 1.00 0.00 O ATOM 2480 CB ASP B 61 6.159 20.213 -26.955 1.00 0.00 C ATOM 2481 CG ASP B 61 7.253 19.876 -27.968 1.00 0.00 C ATOM 2482 OD1 ASP B 61 8.375 19.652 -27.546 1.00 0.00 O ATOM 2483 OD2 ASP B 61 6.950 19.847 -29.150 1.00 0.00 O ATOM 0 H ASP B 61 4.678 20.324 -24.861 1.00 0.00 H new ATOM 0 HA ASP B 61 7.225 19.007 -25.576 1.00 0.00 H new ATOM 0 HB2 ASP B 61 5.271 19.612 -27.150 1.00 0.00 H new ATOM 0 HB3 ASP B 61 5.865 21.258 -27.056 1.00 0.00 H new ATOM 2488 N GLU B 62 8.086 20.916 -23.877 1.00 0.00 N ATOM 2489 CA GLU B 62 8.941 21.961 -23.259 1.00 0.00 C ATOM 2490 C GLU B 62 10.169 22.232 -24.123 1.00 0.00 C ATOM 2491 O GLU B 62 10.590 23.362 -24.277 1.00 0.00 O ATOM 2492 CB GLU B 62 9.398 21.459 -21.893 1.00 0.00 C ATOM 2493 CG GLU B 62 8.182 20.999 -21.087 1.00 0.00 C ATOM 2494 CD GLU B 62 8.621 20.630 -19.669 1.00 0.00 C ATOM 2495 OE1 GLU B 62 9.817 20.562 -19.439 1.00 0.00 O ATOM 2496 OE2 GLU B 62 7.754 20.420 -18.836 1.00 0.00 O ATOM 0 H GLU B 62 7.950 20.085 -23.302 1.00 0.00 H new ATOM 0 HA GLU B 62 8.370 22.885 -23.165 1.00 0.00 H new ATOM 0 HB2 GLU B 62 10.101 20.635 -22.013 1.00 0.00 H new ATOM 0 HB3 GLU B 62 9.923 22.251 -21.359 1.00 0.00 H new ATOM 0 HG2 GLU B 62 7.434 21.791 -21.053 1.00 0.00 H new ATOM 0 HG3 GLU B 62 7.716 20.140 -21.570 1.00 0.00 H new ATOM 2503 N ASP B 63 10.758 21.213 -24.681 1.00 0.00 N ATOM 2504 CA ASP B 63 11.968 21.429 -25.527 1.00 0.00 C ATOM 2505 C ASP B 63 11.541 21.654 -26.977 1.00 0.00 C ATOM 2506 O ASP B 63 12.360 21.878 -27.845 1.00 0.00 O ATOM 2507 CB ASP B 63 12.881 20.204 -25.438 1.00 0.00 C ATOM 2508 CG ASP B 63 12.151 18.975 -25.977 1.00 0.00 C ATOM 2509 OD1 ASP B 63 10.937 19.029 -26.083 1.00 0.00 O ATOM 2510 OD2 ASP B 63 12.821 17.999 -26.270 1.00 0.00 O ATOM 0 H ASP B 63 10.457 20.243 -24.590 1.00 0.00 H new ATOM 0 HA ASP B 63 12.510 22.305 -25.172 1.00 0.00 H new ATOM 0 HB2 ASP B 63 13.793 20.376 -26.009 1.00 0.00 H new ATOM 0 HB3 ASP B 63 13.180 20.036 -24.403 1.00 0.00 H new ATOM 2515 N GLY B 64 10.263 21.614 -27.246 1.00 0.00 N ATOM 2516 CA GLY B 64 9.798 21.846 -28.646 1.00 0.00 C ATOM 2517 C GLY B 64 10.323 20.736 -29.558 1.00 0.00 C ATOM 2518 O GLY B 64 10.731 20.987 -30.675 1.00 0.00 O ATOM 0 H GLY B 64 9.526 21.432 -26.564 1.00 0.00 H new ATOM 0 HA2 GLY B 64 8.709 21.870 -28.678 1.00 0.00 H new ATOM 0 HA3 GLY B 64 10.149 22.816 -28.999 1.00 0.00 H new ATOM 2522 N ASP B 65 10.326 19.510 -29.093 1.00 0.00 N ATOM 2523 CA ASP B 65 10.837 18.380 -29.931 1.00 0.00 C ATOM 2524 C ASP B 65 9.665 17.571 -30.490 1.00 0.00 C ATOM 2525 O ASP B 65 9.851 16.618 -31.220 1.00 0.00 O ATOM 2526 CB ASP B 65 11.716 17.483 -29.060 1.00 0.00 C ATOM 2527 CG ASP B 65 10.935 17.062 -27.814 1.00 0.00 C ATOM 2528 OD1 ASP B 65 9.837 17.561 -27.631 1.00 0.00 O ATOM 2529 OD2 ASP B 65 11.448 16.248 -27.065 1.00 0.00 O ATOM 0 H ASP B 65 9.995 19.243 -28.166 1.00 0.00 H new ATOM 0 HA ASP B 65 11.418 18.774 -30.765 1.00 0.00 H new ATOM 0 HB2 ASP B 65 12.027 16.603 -29.623 1.00 0.00 H new ATOM 0 HB3 ASP B 65 12.623 18.014 -28.772 1.00 0.00 H new ATOM 2534 N GLY B 66 8.459 17.943 -30.159 1.00 0.00 N ATOM 2535 CA GLY B 66 7.277 17.191 -30.680 1.00 0.00 C ATOM 2536 C GLY B 66 7.095 15.901 -29.876 1.00 0.00 C ATOM 2537 O GLY B 66 6.180 15.134 -30.101 1.00 0.00 O ATOM 0 H GLY B 66 8.239 18.733 -29.552 1.00 0.00 H new ATOM 0 HA2 GLY B 66 6.380 17.807 -30.607 1.00 0.00 H new ATOM 0 HA3 GLY B 66 7.418 16.957 -31.735 1.00 0.00 H new ATOM 2541 N GLU B 67 7.964 15.669 -28.932 1.00 0.00 N ATOM 2542 CA GLU B 67 7.877 14.449 -28.077 1.00 0.00 C ATOM 2543 C GLU B 67 8.228 14.852 -26.641 1.00 0.00 C ATOM 2544 O GLU B 67 9.156 15.604 -26.415 1.00 0.00 O ATOM 2545 CB GLU B 67 8.866 13.401 -28.595 1.00 0.00 C ATOM 2546 CG GLU B 67 10.280 13.975 -28.580 1.00 0.00 C ATOM 2547 CD GLU B 67 11.237 12.995 -29.256 1.00 0.00 C ATOM 2548 OE1 GLU B 67 10.821 11.879 -29.522 1.00 0.00 O ATOM 2549 OE2 GLU B 67 12.371 13.376 -29.497 1.00 0.00 O ATOM 0 H GLU B 67 8.747 16.285 -28.712 1.00 0.00 H new ATOM 0 HA GLU B 67 6.874 14.023 -28.105 1.00 0.00 H new ATOM 0 HB2 GLU B 67 8.820 12.506 -27.975 1.00 0.00 H new ATOM 0 HB3 GLU B 67 8.596 13.101 -29.608 1.00 0.00 H new ATOM 0 HG2 GLU B 67 10.300 14.934 -29.098 1.00 0.00 H new ATOM 0 HG3 GLU B 67 10.598 14.160 -27.554 1.00 0.00 H new ATOM 2556 N CYS B 68 7.500 14.363 -25.665 1.00 0.00 N ATOM 2557 CA CYS B 68 7.797 14.725 -24.241 1.00 0.00 C ATOM 2558 C CYS B 68 8.592 13.581 -23.613 1.00 0.00 C ATOM 2559 O CYS B 68 8.222 12.431 -23.690 1.00 0.00 O ATOM 2560 CB CYS B 68 6.479 14.975 -23.467 1.00 0.00 C ATOM 2561 SG CYS B 68 5.097 14.207 -24.349 1.00 0.00 S ATOM 0 H CYS B 68 6.712 13.728 -25.793 1.00 0.00 H new ATOM 0 HA CYS B 68 8.383 15.643 -24.198 1.00 0.00 H new ATOM 0 HB2 CYS B 68 6.554 14.564 -22.460 1.00 0.00 H new ATOM 0 HB3 CYS B 68 6.305 16.046 -23.362 1.00 0.00 H new ATOM 0 HG CYS B 68 4.100 14.039 -23.532 1.00 0.00 H new ATOM 2567 N ASP B 69 9.691 13.900 -23.008 1.00 0.00 N ATOM 2568 CA ASP B 69 10.545 12.856 -22.384 1.00 0.00 C ATOM 2569 C ASP B 69 9.857 12.321 -21.135 1.00 0.00 C ATOM 2570 O ASP B 69 8.868 12.861 -20.681 1.00 0.00 O ATOM 2571 CB ASP B 69 11.891 13.471 -21.999 1.00 0.00 C ATOM 2572 CG ASP B 69 12.602 13.969 -23.259 1.00 0.00 C ATOM 2573 OD1 ASP B 69 12.229 13.538 -24.337 1.00 0.00 O ATOM 2574 OD2 ASP B 69 13.503 14.781 -23.125 1.00 0.00 O ATOM 0 H ASP B 69 10.043 14.853 -22.916 1.00 0.00 H new ATOM 0 HA ASP B 69 10.703 12.041 -23.090 1.00 0.00 H new ATOM 0 HB2 ASP B 69 11.740 14.296 -21.303 1.00 0.00 H new ATOM 0 HB3 ASP B 69 12.508 12.732 -21.488 1.00 0.00 H new ATOM 2579 N PHE B 70 10.371 11.265 -20.566 1.00 0.00 N ATOM 2580 CA PHE B 70 9.747 10.707 -19.346 1.00 0.00 C ATOM 2581 C PHE B 70 9.519 11.845 -18.354 1.00 0.00 C ATOM 2582 O PHE B 70 8.510 11.900 -17.698 1.00 0.00 O ATOM 2583 CB PHE B 70 10.692 9.650 -18.751 1.00 0.00 C ATOM 2584 CG PHE B 70 10.363 9.408 -17.294 1.00 0.00 C ATOM 2585 CD1 PHE B 70 9.059 9.071 -16.922 1.00 0.00 C ATOM 2586 CD2 PHE B 70 11.359 9.535 -16.317 1.00 0.00 C ATOM 2587 CE1 PHE B 70 8.748 8.858 -15.577 1.00 0.00 C ATOM 2588 CE2 PHE B 70 11.048 9.323 -14.974 1.00 0.00 C ATOM 2589 CZ PHE B 70 9.743 8.983 -14.601 1.00 0.00 C ATOM 0 H PHE B 70 11.197 10.768 -20.898 1.00 0.00 H new ATOM 0 HA PHE B 70 8.790 10.238 -19.575 1.00 0.00 H new ATOM 0 HB2 PHE B 70 10.604 8.718 -19.310 1.00 0.00 H new ATOM 0 HB3 PHE B 70 11.726 9.982 -18.847 1.00 0.00 H new ATOM 0 HD1 PHE B 70 8.291 8.975 -17.675 1.00 0.00 H new ATOM 0 HD2 PHE B 70 12.367 9.797 -16.604 1.00 0.00 H new ATOM 0 HE1 PHE B 70 7.740 8.597 -15.290 1.00 0.00 H new ATOM 0 HE2 PHE B 70 11.816 9.421 -14.221 1.00 0.00 H new ATOM 0 HZ PHE B 70 9.504 8.817 -13.561 1.00 0.00 H new ATOM 2599 N GLN B 71 10.454 12.745 -18.254 1.00 0.00 N ATOM 2600 CA GLN B 71 10.307 13.890 -17.313 1.00 0.00 C ATOM 2601 C GLN B 71 9.138 14.797 -17.726 1.00 0.00 C ATOM 2602 O GLN B 71 8.312 15.165 -16.915 1.00 0.00 O ATOM 2603 CB GLN B 71 11.608 14.698 -17.316 1.00 0.00 C ATOM 2604 CG GLN B 71 11.408 16.003 -16.544 1.00 0.00 C ATOM 2605 CD GLN B 71 12.771 16.620 -16.222 1.00 0.00 C ATOM 2606 OE1 GLN B 71 13.791 15.976 -16.370 1.00 0.00 O ATOM 2607 NE2 GLN B 71 12.834 17.848 -15.783 1.00 0.00 N ATOM 0 H GLN B 71 11.323 12.737 -18.789 1.00 0.00 H new ATOM 0 HA GLN B 71 10.100 13.504 -16.315 1.00 0.00 H new ATOM 0 HB2 GLN B 71 12.410 14.115 -16.862 1.00 0.00 H new ATOM 0 HB3 GLN B 71 11.911 14.913 -18.341 1.00 0.00 H new ATOM 0 HG2 GLN B 71 10.812 16.699 -17.134 1.00 0.00 H new ATOM 0 HG3 GLN B 71 10.857 15.812 -15.623 1.00 0.00 H new ATOM 0 HE21 GLN B 71 11.979 18.390 -15.658 1.00 0.00 H new ATOM 0 HE22 GLN B 71 13.739 18.266 -15.565 1.00 0.00 H new ATOM 2616 N GLU B 72 9.078 15.184 -18.969 1.00 0.00 N ATOM 2617 CA GLU B 72 7.982 16.094 -19.413 1.00 0.00 C ATOM 2618 C GLU B 72 6.616 15.444 -19.181 1.00 0.00 C ATOM 2619 O GLU B 72 5.688 16.082 -18.719 1.00 0.00 O ATOM 2620 CB GLU B 72 8.172 16.411 -20.896 1.00 0.00 C ATOM 2621 CG GLU B 72 9.385 17.326 -21.069 1.00 0.00 C ATOM 2622 CD GLU B 72 9.608 17.608 -22.555 1.00 0.00 C ATOM 2623 OE1 GLU B 72 10.241 16.792 -23.204 1.00 0.00 O ATOM 2624 OE2 GLU B 72 9.143 18.636 -23.019 1.00 0.00 O ATOM 0 H GLU B 72 9.738 14.911 -19.697 1.00 0.00 H new ATOM 0 HA GLU B 72 8.020 17.016 -18.832 1.00 0.00 H new ATOM 0 HB2 GLU B 72 8.314 15.490 -21.461 1.00 0.00 H new ATOM 0 HB3 GLU B 72 7.279 16.894 -21.293 1.00 0.00 H new ATOM 0 HG2 GLU B 72 9.228 18.261 -20.531 1.00 0.00 H new ATOM 0 HG3 GLU B 72 10.271 16.857 -20.641 1.00 0.00 H new ATOM 2631 N PHE B 73 6.482 14.182 -19.467 1.00 0.00 N ATOM 2632 CA PHE B 73 5.174 13.516 -19.226 1.00 0.00 C ATOM 2633 C PHE B 73 4.975 13.381 -17.718 1.00 0.00 C ATOM 2634 O PHE B 73 3.868 13.311 -17.225 1.00 0.00 O ATOM 2635 CB PHE B 73 5.147 12.126 -19.883 1.00 0.00 C ATOM 2636 CG PHE B 73 3.995 11.325 -19.308 1.00 0.00 C ATOM 2637 CD1 PHE B 73 2.680 11.601 -19.703 1.00 0.00 C ATOM 2638 CD2 PHE B 73 4.246 10.332 -18.353 1.00 0.00 C ATOM 2639 CE1 PHE B 73 1.618 10.878 -19.146 1.00 0.00 C ATOM 2640 CE2 PHE B 73 3.184 9.614 -17.794 1.00 0.00 C ATOM 2641 CZ PHE B 73 1.870 9.887 -18.190 1.00 0.00 C ATOM 0 H PHE B 73 7.214 13.586 -19.854 1.00 0.00 H new ATOM 0 HA PHE B 73 4.373 14.113 -19.662 1.00 0.00 H new ATOM 0 HB2 PHE B 73 5.035 12.223 -20.963 1.00 0.00 H new ATOM 0 HB3 PHE B 73 6.090 11.608 -19.706 1.00 0.00 H new ATOM 0 HD1 PHE B 73 2.485 12.370 -20.436 1.00 0.00 H new ATOM 0 HD2 PHE B 73 5.260 10.121 -18.048 1.00 0.00 H new ATOM 0 HE1 PHE B 73 0.604 11.085 -19.454 1.00 0.00 H new ATOM 0 HE2 PHE B 73 3.378 8.849 -17.057 1.00 0.00 H new ATOM 0 HZ PHE B 73 1.050 9.333 -17.758 1.00 0.00 H new ATOM 2651 N MET B 74 6.050 13.326 -16.992 1.00 0.00 N ATOM 2652 CA MET B 74 5.952 13.174 -15.521 1.00 0.00 C ATOM 2653 C MET B 74 5.177 14.361 -14.960 1.00 0.00 C ATOM 2654 O MET B 74 4.378 14.228 -14.055 1.00 0.00 O ATOM 2655 CB MET B 74 7.370 13.121 -14.918 1.00 0.00 C ATOM 2656 CG MET B 74 7.362 12.348 -13.597 1.00 0.00 C ATOM 2657 SD MET B 74 6.482 13.315 -12.351 1.00 0.00 S ATOM 2658 CE MET B 74 5.455 11.989 -11.683 1.00 0.00 C ATOM 0 H MET B 74 7.000 13.380 -17.358 1.00 0.00 H new ATOM 0 HA MET B 74 5.431 12.251 -15.266 1.00 0.00 H new ATOM 0 HB2 MET B 74 8.053 12.644 -15.621 1.00 0.00 H new ATOM 0 HB3 MET B 74 7.739 14.133 -14.752 1.00 0.00 H new ATOM 0 HG2 MET B 74 6.880 11.380 -13.731 1.00 0.00 H new ATOM 0 HG3 MET B 74 8.383 12.153 -13.269 1.00 0.00 H new ATOM 0 HE1 MET B 74 5.086 12.276 -10.698 1.00 0.00 H new ATOM 0 HE2 MET B 74 4.611 11.812 -12.350 1.00 0.00 H new ATOM 0 HE3 MET B 74 6.047 11.078 -11.597 1.00 0.00 H new ATOM 2668 N ALA B 75 5.420 15.527 -15.476 1.00 0.00 N ATOM 2669 CA ALA B 75 4.699 16.716 -14.958 1.00 0.00 C ATOM 2670 C ALA B 75 3.217 16.672 -15.367 1.00 0.00 C ATOM 2671 O ALA B 75 2.359 17.139 -14.647 1.00 0.00 O ATOM 2672 CB ALA B 75 5.372 17.994 -15.478 1.00 0.00 C ATOM 0 H ALA B 75 6.083 15.709 -16.230 1.00 0.00 H new ATOM 0 HA ALA B 75 4.744 16.713 -13.869 1.00 0.00 H new ATOM 0 HB1 ALA B 75 4.841 18.866 -15.096 1.00 0.00 H new ATOM 0 HB2 ALA B 75 6.408 18.023 -15.140 1.00 0.00 H new ATOM 0 HB3 ALA B 75 5.346 18.001 -16.568 1.00 0.00 H new ATOM 2678 N PHE B 76 2.901 16.116 -16.505 1.00 0.00 N ATOM 2679 CA PHE B 76 1.461 16.052 -16.929 1.00 0.00 C ATOM 2680 C PHE B 76 0.646 15.268 -15.910 1.00 0.00 C ATOM 2681 O PHE B 76 -0.468 15.615 -15.589 1.00 0.00 O ATOM 2682 CB PHE B 76 1.363 15.354 -18.284 1.00 0.00 C ATOM 2683 CG PHE B 76 -0.086 15.268 -18.720 1.00 0.00 C ATOM 2684 CD1 PHE B 76 -0.708 16.358 -19.345 1.00 0.00 C ATOM 2685 CD2 PHE B 76 -0.808 14.090 -18.495 1.00 0.00 C ATOM 2686 CE1 PHE B 76 -2.048 16.266 -19.745 1.00 0.00 C ATOM 2687 CE2 PHE B 76 -2.145 13.998 -18.895 1.00 0.00 C ATOM 2688 CZ PHE B 76 -2.765 15.085 -19.520 1.00 0.00 C ATOM 0 H PHE B 76 3.567 15.705 -17.159 1.00 0.00 H new ATOM 0 HA PHE B 76 1.069 17.067 -16.999 1.00 0.00 H new ATOM 0 HB2 PHE B 76 1.943 15.902 -19.027 1.00 0.00 H new ATOM 0 HB3 PHE B 76 1.792 14.354 -18.219 1.00 0.00 H new ATOM 0 HD1 PHE B 76 -0.154 17.269 -19.518 1.00 0.00 H new ATOM 0 HD2 PHE B 76 -0.331 13.250 -18.011 1.00 0.00 H new ATOM 0 HE1 PHE B 76 -2.527 17.106 -20.226 1.00 0.00 H new ATOM 0 HE2 PHE B 76 -2.699 13.087 -18.721 1.00 0.00 H new ATOM 0 HZ PHE B 76 -3.797 15.013 -19.829 1.00 0.00 H new ATOM 2698 N VAL B 77 1.194 14.212 -15.408 1.00 0.00 N ATOM 2699 CA VAL B 77 0.464 13.380 -14.410 1.00 0.00 C ATOM 2700 C VAL B 77 0.245 14.219 -13.157 1.00 0.00 C ATOM 2701 O VAL B 77 -0.748 14.106 -12.478 1.00 0.00 O ATOM 2702 CB VAL B 77 1.304 12.122 -14.075 1.00 0.00 C ATOM 2703 CG1 VAL B 77 0.399 10.890 -13.938 1.00 0.00 C ATOM 2704 CG2 VAL B 77 2.322 11.881 -15.193 1.00 0.00 C ATOM 0 H VAL B 77 2.128 13.878 -15.644 1.00 0.00 H new ATOM 0 HA VAL B 77 -0.498 13.059 -14.809 1.00 0.00 H new ATOM 0 HB VAL B 77 1.820 12.286 -13.129 1.00 0.00 H new ATOM 0 HG11 VAL B 77 1.007 10.016 -13.703 1.00 0.00 H new ATOM 0 HG12 VAL B 77 -0.323 11.056 -13.138 1.00 0.00 H new ATOM 0 HG13 VAL B 77 -0.131 10.722 -14.876 1.00 0.00 H new ATOM 0 HG21 VAL B 77 2.915 10.996 -14.961 1.00 0.00 H new ATOM 0 HG22 VAL B 77 1.797 11.729 -16.136 1.00 0.00 H new ATOM 0 HG23 VAL B 77 2.979 12.746 -15.279 1.00 0.00 H new ATOM 2714 N SER B 78 1.194 15.042 -12.853 1.00 0.00 N ATOM 2715 CA SER B 78 1.106 15.905 -11.650 1.00 0.00 C ATOM 2716 C SER B 78 -0.106 16.829 -11.743 1.00 0.00 C ATOM 2717 O SER B 78 -0.833 17.030 -10.792 1.00 0.00 O ATOM 2718 CB SER B 78 2.369 16.758 -11.609 1.00 0.00 C ATOM 2719 OG SER B 78 2.525 17.327 -10.319 1.00 0.00 O ATOM 0 H SER B 78 2.048 15.158 -13.398 1.00 0.00 H new ATOM 0 HA SER B 78 1.007 15.289 -10.756 1.00 0.00 H new ATOM 0 HB2 SER B 78 3.238 16.148 -11.855 1.00 0.00 H new ATOM 0 HB3 SER B 78 2.310 17.547 -12.359 1.00 0.00 H new ATOM 0 HG SER B 78 1.809 17.006 -9.731 1.00 0.00 H new ATOM 2725 N MET B 79 -0.294 17.422 -12.878 1.00 0.00 N ATOM 2726 CA MET B 79 -1.416 18.379 -13.050 1.00 0.00 C ATOM 2727 C MET B 79 -2.768 17.671 -13.040 1.00 0.00 C ATOM 2728 O MET B 79 -3.730 18.160 -12.476 1.00 0.00 O ATOM 2729 CB MET B 79 -1.216 19.086 -14.387 1.00 0.00 C ATOM 2730 CG MET B 79 -0.010 20.023 -14.289 1.00 0.00 C ATOM 2731 SD MET B 79 0.499 20.523 -15.950 1.00 0.00 S ATOM 2732 CE MET B 79 -1.057 21.301 -16.435 1.00 0.00 C ATOM 0 H MET B 79 0.286 17.285 -13.706 1.00 0.00 H new ATOM 0 HA MET B 79 -1.417 19.088 -12.222 1.00 0.00 H new ATOM 0 HB2 MET B 79 -1.058 18.353 -15.179 1.00 0.00 H new ATOM 0 HB3 MET B 79 -2.110 19.652 -14.650 1.00 0.00 H new ATOM 0 HG2 MET B 79 -0.265 20.901 -13.695 1.00 0.00 H new ATOM 0 HG3 MET B 79 0.813 19.522 -13.780 1.00 0.00 H new ATOM 0 HE1 MET B 79 -0.852 22.141 -17.099 1.00 0.00 H new ATOM 0 HE2 MET B 79 -1.682 20.573 -16.952 1.00 0.00 H new ATOM 0 HE3 MET B 79 -1.577 21.659 -15.547 1.00 0.00 H new ATOM 2742 N VAL B 80 -2.866 16.538 -13.663 1.00 0.00 N ATOM 2743 CA VAL B 80 -4.179 15.830 -13.686 1.00 0.00 C ATOM 2744 C VAL B 80 -4.503 15.292 -12.290 1.00 0.00 C ATOM 2745 O VAL B 80 -5.649 15.212 -11.892 1.00 0.00 O ATOM 2746 CB VAL B 80 -4.139 14.677 -14.684 1.00 0.00 C ATOM 2747 CG1 VAL B 80 -5.544 14.092 -14.825 1.00 0.00 C ATOM 2748 CG2 VAL B 80 -3.672 15.191 -16.045 1.00 0.00 C ATOM 0 H VAL B 80 -2.105 16.070 -14.155 1.00 0.00 H new ATOM 0 HA VAL B 80 -4.953 16.535 -13.990 1.00 0.00 H new ATOM 0 HB VAL B 80 -3.449 13.912 -14.329 1.00 0.00 H new ATOM 0 HG11 VAL B 80 -5.525 13.267 -15.537 1.00 0.00 H new ATOM 0 HG12 VAL B 80 -5.885 13.728 -13.856 1.00 0.00 H new ATOM 0 HG13 VAL B 80 -6.225 14.864 -15.183 1.00 0.00 H new ATOM 0 HG21 VAL B 80 -3.644 14.365 -16.756 1.00 0.00 H new ATOM 0 HG22 VAL B 80 -4.363 15.954 -16.402 1.00 0.00 H new ATOM 0 HG23 VAL B 80 -2.675 15.621 -15.949 1.00 0.00 H new ATOM 2758 N THR B 81 -3.501 14.923 -11.548 1.00 0.00 N ATOM 2759 CA THR B 81 -3.735 14.386 -10.177 1.00 0.00 C ATOM 2760 C THR B 81 -4.439 15.444 -9.345 1.00 0.00 C ATOM 2761 O THR B 81 -5.329 15.161 -8.570 1.00 0.00 O ATOM 2762 CB THR B 81 -2.400 14.042 -9.521 1.00 0.00 C ATOM 2763 OG1 THR B 81 -1.726 13.063 -10.299 1.00 0.00 O ATOM 2764 CG2 THR B 81 -2.651 13.509 -8.109 1.00 0.00 C ATOM 0 H THR B 81 -2.522 14.969 -11.832 1.00 0.00 H new ATOM 0 HA THR B 81 -4.349 13.487 -10.240 1.00 0.00 H new ATOM 0 HB THR B 81 -1.779 14.936 -9.461 1.00 0.00 H new ATOM 0 HG1 THR B 81 -1.124 13.506 -10.933 1.00 0.00 H new ATOM 0 HG21 THR B 81 -1.699 13.263 -7.639 1.00 0.00 H new ATOM 0 HG22 THR B 81 -3.162 14.270 -7.518 1.00 0.00 H new ATOM 0 HG23 THR B 81 -3.271 12.614 -8.163 1.00 0.00 H new ATOM 2772 N THR B 82 -4.042 16.664 -9.507 1.00 0.00 N ATOM 2773 CA THR B 82 -4.670 17.762 -8.744 1.00 0.00 C ATOM 2774 C THR B 82 -6.163 17.764 -9.076 1.00 0.00 C ATOM 2775 O THR B 82 -7.010 17.940 -8.217 1.00 0.00 O ATOM 2776 CB THR B 82 -4.019 19.085 -9.167 1.00 0.00 C ATOM 2777 OG1 THR B 82 -2.633 18.870 -9.392 1.00 0.00 O ATOM 2778 CG2 THR B 82 -4.188 20.116 -8.060 1.00 0.00 C ATOM 0 H THR B 82 -3.299 16.952 -10.144 1.00 0.00 H new ATOM 0 HA THR B 82 -4.535 17.634 -7.670 1.00 0.00 H new ATOM 0 HB THR B 82 -4.494 19.448 -10.078 1.00 0.00 H new ATOM 0 HG1 THR B 82 -2.211 19.712 -9.664 1.00 0.00 H new ATOM 0 HG21 THR B 82 -3.725 21.055 -8.363 1.00 0.00 H new ATOM 0 HG22 THR B 82 -5.249 20.279 -7.874 1.00 0.00 H new ATOM 0 HG23 THR B 82 -3.711 19.754 -7.149 1.00 0.00 H new ATOM 2786 N ALA B 83 -6.489 17.537 -10.319 1.00 0.00 N ATOM 2787 CA ALA B 83 -7.921 17.489 -10.714 1.00 0.00 C ATOM 2788 C ALA B 83 -8.599 16.369 -9.919 1.00 0.00 C ATOM 2789 O ALA B 83 -9.740 16.477 -9.524 1.00 0.00 O ATOM 2790 CB ALA B 83 -8.027 17.210 -12.221 1.00 0.00 C ATOM 0 H ALA B 83 -5.824 17.383 -11.077 1.00 0.00 H new ATOM 0 HA ALA B 83 -8.409 18.440 -10.502 1.00 0.00 H new ATOM 0 HB1 ALA B 83 -9.077 17.175 -12.512 1.00 0.00 H new ATOM 0 HB2 ALA B 83 -7.524 18.003 -12.774 1.00 0.00 H new ATOM 0 HB3 ALA B 83 -7.555 16.254 -12.448 1.00 0.00 H new ATOM 2796 N CYS B 84 -7.890 15.297 -9.678 1.00 0.00 N ATOM 2797 CA CYS B 84 -8.471 14.165 -8.901 1.00 0.00 C ATOM 2798 C CYS B 84 -8.870 14.662 -7.509 1.00 0.00 C ATOM 2799 O CYS B 84 -9.843 14.212 -6.936 1.00 0.00 O ATOM 2800 CB CYS B 84 -7.433 13.049 -8.759 1.00 0.00 C ATOM 2801 SG CYS B 84 -8.256 11.526 -8.231 1.00 0.00 S ATOM 0 H CYS B 84 -6.928 15.158 -9.988 1.00 0.00 H new ATOM 0 HA CYS B 84 -9.347 13.780 -9.423 1.00 0.00 H new ATOM 0 HB2 CYS B 84 -6.923 12.889 -9.709 1.00 0.00 H new ATOM 0 HB3 CYS B 84 -6.672 13.335 -8.033 1.00 0.00 H new ATOM 0 HG CYS B 84 -7.376 10.576 -8.112 1.00 0.00 H new ATOM 2807 N HIS B 85 -8.129 15.587 -6.957 1.00 0.00 N ATOM 2808 CA HIS B 85 -8.480 16.097 -5.603 1.00 0.00 C ATOM 2809 C HIS B 85 -9.887 16.678 -5.653 1.00 0.00 C ATOM 2810 O HIS B 85 -10.697 16.424 -4.788 1.00 0.00 O ATOM 2811 CB HIS B 85 -7.497 17.197 -5.198 1.00 0.00 C ATOM 2812 CG HIS B 85 -7.859 17.724 -3.835 1.00 0.00 C ATOM 2813 ND1 HIS B 85 -8.857 18.672 -3.656 1.00 0.00 N ATOM 2814 CD2 HIS B 85 -7.364 17.459 -2.581 1.00 0.00 C ATOM 2815 CE1 HIS B 85 -8.931 18.941 -2.340 1.00 0.00 C ATOM 2816 NE2 HIS B 85 -8.043 18.230 -1.643 1.00 0.00 N ATOM 0 H HIS B 85 -7.303 16.007 -7.383 1.00 0.00 H new ATOM 0 HA HIS B 85 -8.431 15.285 -4.877 1.00 0.00 H new ATOM 0 HB2 HIS B 85 -6.480 16.804 -5.188 1.00 0.00 H new ATOM 0 HB3 HIS B 85 -7.519 18.005 -5.929 1.00 0.00 H new ATOM 0 HD2 HIS B 85 -6.571 16.761 -2.358 1.00 0.00 H new ATOM 0 HE1 HIS B 85 -9.623 19.645 -1.902 1.00 0.00 H new ATOM 0 HE2 HIS B 85 -7.893 18.248 -0.634 1.00 0.00 H new ATOM 2825 N GLU B 86 -10.196 17.431 -6.672 1.00 0.00 N ATOM 2826 CA GLU B 86 -11.570 17.993 -6.777 1.00 0.00 C ATOM 2827 C GLU B 86 -12.569 16.841 -6.896 1.00 0.00 C ATOM 2828 O GLU B 86 -13.642 16.868 -6.327 1.00 0.00 O ATOM 2829 CB GLU B 86 -11.680 18.898 -8.006 1.00 0.00 C ATOM 2830 CG GLU B 86 -10.867 20.171 -7.775 1.00 0.00 C ATOM 2831 CD GLU B 86 -10.978 21.074 -9.004 1.00 0.00 C ATOM 2832 OE1 GLU B 86 -11.501 20.614 -10.006 1.00 0.00 O ATOM 2833 OE2 GLU B 86 -10.544 22.211 -8.921 1.00 0.00 O ATOM 0 H GLU B 86 -9.561 17.680 -7.431 1.00 0.00 H new ATOM 0 HA GLU B 86 -11.787 18.585 -5.888 1.00 0.00 H new ATOM 0 HB2 GLU B 86 -11.314 18.375 -8.890 1.00 0.00 H new ATOM 0 HB3 GLU B 86 -12.724 19.149 -8.194 1.00 0.00 H new ATOM 0 HG2 GLU B 86 -11.233 20.694 -6.891 1.00 0.00 H new ATOM 0 HG3 GLU B 86 -9.823 19.920 -7.587 1.00 0.00 H new ATOM 2840 N PHE B 87 -12.221 15.831 -7.643 1.00 0.00 N ATOM 2841 CA PHE B 87 -13.138 14.670 -7.814 1.00 0.00 C ATOM 2842 C PHE B 87 -13.275 13.904 -6.496 1.00 0.00 C ATOM 2843 O PHE B 87 -14.341 13.440 -6.145 1.00 0.00 O ATOM 2844 CB PHE B 87 -12.580 13.735 -8.888 1.00 0.00 C ATOM 2845 CG PHE B 87 -13.501 12.550 -9.052 1.00 0.00 C ATOM 2846 CD1 PHE B 87 -14.553 12.601 -9.974 1.00 0.00 C ATOM 2847 CD2 PHE B 87 -13.303 11.399 -8.279 1.00 0.00 C ATOM 2848 CE1 PHE B 87 -15.406 11.502 -10.123 1.00 0.00 C ATOM 2849 CE2 PHE B 87 -14.157 10.300 -8.428 1.00 0.00 C ATOM 2850 CZ PHE B 87 -15.208 10.351 -9.350 1.00 0.00 C ATOM 0 H PHE B 87 -11.336 15.759 -8.145 1.00 0.00 H new ATOM 0 HA PHE B 87 -14.119 15.036 -8.115 1.00 0.00 H new ATOM 0 HB2 PHE B 87 -12.483 14.267 -9.834 1.00 0.00 H new ATOM 0 HB3 PHE B 87 -11.582 13.397 -8.609 1.00 0.00 H new ATOM 0 HD1 PHE B 87 -14.706 13.488 -10.570 1.00 0.00 H new ATOM 0 HD2 PHE B 87 -12.491 11.359 -7.568 1.00 0.00 H new ATOM 0 HE1 PHE B 87 -16.218 11.541 -10.834 1.00 0.00 H new ATOM 0 HE2 PHE B 87 -14.005 9.413 -7.831 1.00 0.00 H new ATOM 0 HZ PHE B 87 -15.867 9.503 -9.466 1.00 0.00 H new ATOM 2860 N PHE B 88 -12.197 13.748 -5.777 1.00 0.00 N ATOM 2861 CA PHE B 88 -12.248 12.986 -4.493 1.00 0.00 C ATOM 2862 C PHE B 88 -12.641 13.924 -3.341 1.00 0.00 C ATOM 2863 O PHE B 88 -12.063 13.887 -2.273 1.00 0.00 O ATOM 2864 CB PHE B 88 -10.860 12.352 -4.231 1.00 0.00 C ATOM 2865 CG PHE B 88 -11.020 10.950 -3.673 1.00 0.00 C ATOM 2866 CD1 PHE B 88 -11.817 10.742 -2.543 1.00 0.00 C ATOM 2867 CD2 PHE B 88 -10.376 9.866 -4.285 1.00 0.00 C ATOM 2868 CE1 PHE B 88 -11.973 9.451 -2.022 1.00 0.00 C ATOM 2869 CE2 PHE B 88 -10.532 8.575 -3.764 1.00 0.00 C ATOM 2870 CZ PHE B 88 -11.331 8.367 -2.633 1.00 0.00 C ATOM 0 H PHE B 88 -11.278 14.117 -6.023 1.00 0.00 H new ATOM 0 HA PHE B 88 -12.997 12.197 -4.559 1.00 0.00 H new ATOM 0 HB2 PHE B 88 -10.287 12.319 -5.157 1.00 0.00 H new ATOM 0 HB3 PHE B 88 -10.297 12.968 -3.530 1.00 0.00 H new ATOM 0 HD1 PHE B 88 -12.313 11.578 -2.071 1.00 0.00 H new ATOM 0 HD2 PHE B 88 -9.760 10.026 -5.158 1.00 0.00 H new ATOM 0 HE1 PHE B 88 -12.589 9.292 -1.149 1.00 0.00 H new ATOM 0 HE2 PHE B 88 -10.036 7.739 -4.235 1.00 0.00 H new ATOM 0 HZ PHE B 88 -11.452 7.371 -2.232 1.00 0.00 H new ATOM 3114 N ARG X 104 23.994 19.396 -0.669 1.00 0.00 N ATOM 3115 CA ARG X 104 22.952 18.345 -0.862 1.00 0.00 C ATOM 3116 C ARG X 104 21.793 18.897 -1.705 1.00 0.00 C ATOM 3117 O ARG X 104 21.248 18.211 -2.550 1.00 0.00 O ATOM 3118 CB ARG X 104 22.427 17.878 0.508 1.00 0.00 C ATOM 3119 CG ARG X 104 23.355 16.800 1.091 1.00 0.00 C ATOM 3120 CD ARG X 104 24.764 17.365 1.283 1.00 0.00 C ATOM 3121 NE ARG X 104 25.623 16.345 1.943 1.00 0.00 N ATOM 3122 CZ ARG X 104 26.919 16.495 1.945 1.00 0.00 C ATOM 3123 NH1 ARG X 104 27.453 17.547 1.387 1.00 0.00 N ATOM 3124 NH2 ARG X 104 27.679 15.596 2.505 1.00 0.00 N ATOM 0 HA ARG X 104 23.395 17.498 -1.386 1.00 0.00 H new ATOM 0 HB2 ARG X 104 22.367 18.725 1.191 1.00 0.00 H new ATOM 0 HB3 ARG X 104 21.417 17.481 0.403 1.00 0.00 H new ATOM 0 HG2 ARG X 104 22.963 16.449 2.045 1.00 0.00 H new ATOM 0 HG3 ARG X 104 23.388 15.939 0.424 1.00 0.00 H new ATOM 0 HD2 ARG X 104 25.189 17.645 0.319 1.00 0.00 H new ATOM 0 HD3 ARG X 104 24.725 18.270 1.889 1.00 0.00 H new ATOM 0 HE ARG X 104 25.201 15.532 2.392 1.00 0.00 H new ATOM 0 HH11 ARG X 104 26.857 18.250 0.950 1.00 0.00 H new ATOM 0 HH12 ARG X 104 28.466 17.666 1.388 1.00 0.00 H new ATOM 0 HH21 ARG X 104 27.260 14.775 2.942 1.00 0.00 H new ATOM 0 HH22 ARG X 104 28.692 15.714 2.506 1.00 0.00 H new ATOM 3138 N HIS X 105 21.398 20.123 -1.484 1.00 0.00 N ATOM 3139 CA HIS X 105 20.264 20.672 -2.278 1.00 0.00 C ATOM 3140 C HIS X 105 20.632 20.623 -3.762 1.00 0.00 C ATOM 3141 O HIS X 105 19.805 20.347 -4.605 1.00 0.00 O ATOM 3142 CB HIS X 105 19.949 22.118 -1.841 1.00 0.00 C ATOM 3143 CG HIS X 105 20.905 23.100 -2.475 1.00 0.00 C ATOM 3144 ND1 HIS X 105 21.790 23.861 -1.724 1.00 0.00 N ATOM 3145 CD2 HIS X 105 21.120 23.459 -3.784 1.00 0.00 C ATOM 3146 CE1 HIS X 105 22.493 24.628 -2.578 1.00 0.00 C ATOM 3147 NE2 HIS X 105 22.122 24.420 -3.843 1.00 0.00 N ATOM 0 H HIS X 105 21.805 20.759 -0.798 1.00 0.00 H new ATOM 0 HA HIS X 105 19.371 20.072 -2.106 1.00 0.00 H new ATOM 0 HB2 HIS X 105 18.926 22.370 -2.120 1.00 0.00 H new ATOM 0 HB3 HIS X 105 20.012 22.195 -0.755 1.00 0.00 H new ATOM 0 HD2 HIS X 105 20.592 23.056 -4.636 1.00 0.00 H new ATOM 0 HE1 HIS X 105 23.261 25.325 -2.277 1.00 0.00 H new ATOM 0 HE2 HIS X 105 22.496 24.872 -4.678 1.00 0.00 H new ATOM 3156 N LYS X 106 21.870 20.881 -4.085 1.00 0.00 N ATOM 3157 CA LYS X 106 22.282 20.841 -5.513 1.00 0.00 C ATOM 3158 C LYS X 106 22.029 19.440 -6.071 1.00 0.00 C ATOM 3159 O LYS X 106 21.756 19.268 -7.241 1.00 0.00 O ATOM 3160 CB LYS X 106 23.764 21.194 -5.654 1.00 0.00 C ATOM 3161 CG LYS X 106 24.093 21.317 -7.143 1.00 0.00 C ATOM 3162 CD LYS X 106 25.566 21.676 -7.334 1.00 0.00 C ATOM 3163 CE LYS X 106 25.852 21.788 -8.832 1.00 0.00 C ATOM 3164 NZ LYS X 106 27.297 22.075 -9.049 1.00 0.00 N ATOM 0 H LYS X 106 22.610 21.117 -3.423 1.00 0.00 H new ATOM 0 HA LYS X 106 21.698 21.572 -6.072 1.00 0.00 H new ATOM 0 HB2 LYS X 106 23.981 22.130 -5.139 1.00 0.00 H new ATOM 0 HB3 LYS X 106 24.382 20.425 -5.191 1.00 0.00 H new ATOM 0 HG2 LYS X 106 23.872 20.378 -7.650 1.00 0.00 H new ATOM 0 HG3 LYS X 106 23.464 22.081 -7.599 1.00 0.00 H new ATOM 0 HD2 LYS X 106 25.793 22.618 -6.834 1.00 0.00 H new ATOM 0 HD3 LYS X 106 26.202 20.914 -6.884 1.00 0.00 H new ATOM 0 HE2 LYS X 106 25.576 20.861 -9.335 1.00 0.00 H new ATOM 0 HE3 LYS X 106 25.245 22.580 -9.269 1.00 0.00 H new ATOM 0 HZ1 LYS X 106 27.487 22.150 -10.069 1.00 0.00 H new ATOM 0 HZ2 LYS X 106 27.547 22.971 -8.583 1.00 0.00 H new ATOM 0 HZ3 LYS X 106 27.868 21.305 -8.647 1.00 0.00 H new ATOM 3178 N LYS X 107 22.118 18.431 -5.249 1.00 0.00 N ATOM 3179 CA LYS X 107 21.876 17.054 -5.757 1.00 0.00 C ATOM 3180 C LYS X 107 20.454 16.989 -6.315 1.00 0.00 C ATOM 3181 O LYS X 107 20.214 16.389 -7.337 1.00 0.00 O ATOM 3182 CB LYS X 107 22.015 16.049 -4.614 1.00 0.00 C ATOM 3183 CG LYS X 107 21.776 14.636 -5.148 1.00 0.00 C ATOM 3184 CD LYS X 107 22.108 13.608 -4.061 1.00 0.00 C ATOM 3185 CE LYS X 107 21.217 13.836 -2.834 1.00 0.00 C ATOM 3186 NZ LYS X 107 19.833 14.180 -3.272 1.00 0.00 N ATOM 0 H LYS X 107 22.346 18.500 -4.257 1.00 0.00 H new ATOM 0 HA LYS X 107 22.601 16.812 -6.534 1.00 0.00 H new ATOM 0 HB2 LYS X 107 23.009 16.119 -4.172 1.00 0.00 H new ATOM 0 HB3 LYS X 107 21.298 16.278 -3.825 1.00 0.00 H new ATOM 0 HG2 LYS X 107 20.738 14.526 -5.460 1.00 0.00 H new ATOM 0 HG3 LYS X 107 22.394 14.461 -6.028 1.00 0.00 H new ATOM 0 HD2 LYS X 107 21.960 12.599 -4.446 1.00 0.00 H new ATOM 0 HD3 LYS X 107 23.158 13.691 -3.779 1.00 0.00 H new ATOM 0 HE2 LYS X 107 21.200 12.940 -2.214 1.00 0.00 H new ATOM 0 HE3 LYS X 107 21.625 14.640 -2.221 1.00 0.00 H new ATOM 0 HZ1 LYS X 107 19.164 13.972 -2.503 1.00 0.00 H new ATOM 0 HZ2 LYS X 107 19.785 15.192 -3.508 1.00 0.00 H new ATOM 0 HZ3 LYS X 107 19.584 13.616 -4.110 1.00 0.00 H new ATOM 3200 N LEU X 108 19.519 17.617 -5.647 1.00 0.00 N ATOM 3201 CA LEU X 108 18.095 17.630 -6.126 1.00 0.00 C ATOM 3202 C LEU X 108 17.988 18.542 -7.361 1.00 0.00 C ATOM 3203 O LEU X 108 17.134 18.369 -8.215 1.00 0.00 O ATOM 3204 CB LEU X 108 17.207 18.153 -4.980 1.00 0.00 C ATOM 3205 CG LEU X 108 15.722 18.166 -5.371 1.00 0.00 C ATOM 3206 CD1 LEU X 108 15.151 16.740 -5.362 1.00 0.00 C ATOM 3207 CD2 LEU X 108 14.944 19.010 -4.358 1.00 0.00 C ATOM 0 H LEU X 108 19.680 18.128 -4.779 1.00 0.00 H new ATOM 0 HA LEU X 108 17.768 16.629 -6.408 1.00 0.00 H new ATOM 0 HB2 LEU X 108 17.345 17.527 -4.098 1.00 0.00 H new ATOM 0 HB3 LEU X 108 17.520 19.161 -4.708 1.00 0.00 H new ATOM 0 HG LEU X 108 15.627 18.585 -6.373 1.00 0.00 H new ATOM 0 HD11 LEU X 108 14.098 16.768 -5.641 1.00 0.00 H new ATOM 0 HD12 LEU X 108 15.699 16.124 -6.075 1.00 0.00 H new ATOM 0 HD13 LEU X 108 15.250 16.315 -4.363 1.00 0.00 H new ATOM 0 HD21 LEU X 108 13.889 19.023 -4.630 1.00 0.00 H new ATOM 0 HD22 LEU X 108 15.057 18.580 -3.363 1.00 0.00 H new ATOM 0 HD23 LEU X 108 15.332 20.029 -4.359 1.00 0.00 H new ATOM 3219 N MET X 109 18.859 19.499 -7.471 1.00 0.00 N ATOM 3220 CA MET X 109 18.826 20.409 -8.648 1.00 0.00 C ATOM 3221 C MET X 109 19.138 19.622 -9.927 1.00 0.00 C ATOM 3222 O MET X 109 18.791 20.034 -11.016 1.00 0.00 O ATOM 3223 CB MET X 109 19.845 21.536 -8.471 1.00 0.00 C ATOM 3224 CG MET X 109 19.456 22.390 -7.262 1.00 0.00 C ATOM 3225 SD MET X 109 17.901 23.262 -7.604 1.00 0.00 S ATOM 3226 CE MET X 109 17.058 22.897 -6.040 1.00 0.00 C ATOM 0 H MET X 109 19.597 19.693 -6.794 1.00 0.00 H new ATOM 0 HA MET X 109 17.829 20.843 -8.729 1.00 0.00 H new ATOM 0 HB2 MET X 109 20.843 21.120 -8.330 1.00 0.00 H new ATOM 0 HB3 MET X 109 19.881 22.153 -9.369 1.00 0.00 H new ATOM 0 HG2 MET X 109 19.344 21.759 -6.380 1.00 0.00 H new ATOM 0 HG3 MET X 109 20.246 23.108 -7.042 1.00 0.00 H new ATOM 0 HE1 MET X 109 16.067 23.351 -6.046 1.00 0.00 H new ATOM 0 HE2 MET X 109 16.962 21.818 -5.922 1.00 0.00 H new ATOM 0 HE3 MET X 109 17.638 23.302 -5.211 1.00 0.00 H new ATOM 3236 N PHE X 110 19.829 18.515 -9.805 1.00 0.00 N ATOM 3237 CA PHE X 110 20.212 17.714 -11.014 1.00 0.00 C ATOM 3238 C PHE X 110 19.060 17.676 -12.024 1.00 0.00 C ATOM 3239 O PHE X 110 19.250 17.887 -13.205 1.00 0.00 O ATOM 3240 CB PHE X 110 20.583 16.278 -10.580 1.00 0.00 C ATOM 3241 CG PHE X 110 19.341 15.405 -10.417 1.00 0.00 C ATOM 3242 CD1 PHE X 110 18.393 15.703 -9.432 1.00 0.00 C ATOM 3243 CD2 PHE X 110 19.151 14.288 -11.242 1.00 0.00 C ATOM 3244 CE1 PHE X 110 17.265 14.902 -9.271 1.00 0.00 C ATOM 3245 CE2 PHE X 110 18.014 13.483 -11.080 1.00 0.00 C ATOM 3246 CZ PHE X 110 17.072 13.793 -10.092 1.00 0.00 C ATOM 0 H PHE X 110 20.147 18.128 -8.916 1.00 0.00 H new ATOM 0 HA PHE X 110 21.071 18.184 -11.493 1.00 0.00 H new ATOM 0 HB2 PHE X 110 21.247 15.833 -11.321 1.00 0.00 H new ATOM 0 HB3 PHE X 110 21.132 16.311 -9.639 1.00 0.00 H new ATOM 0 HD1 PHE X 110 18.537 16.561 -8.792 1.00 0.00 H new ATOM 0 HD2 PHE X 110 19.880 14.047 -12.002 1.00 0.00 H new ATOM 0 HE1 PHE X 110 16.539 15.141 -8.508 1.00 0.00 H new ATOM 0 HE2 PHE X 110 17.865 12.624 -11.717 1.00 0.00 H new ATOM 0 HZ PHE X 110 16.197 13.173 -9.966 1.00 0.00 H new ATOM 3256 N LYS X 111 17.873 17.411 -11.570 1.00 0.00 N ATOM 3257 CA LYS X 111 16.715 17.362 -12.499 1.00 0.00 C ATOM 3258 C LYS X 111 16.232 18.783 -12.802 1.00 0.00 C ATOM 3259 O LYS X 111 15.654 19.033 -13.834 1.00 0.00 O ATOM 3260 CB LYS X 111 15.594 16.567 -11.839 1.00 0.00 C ATOM 3261 CG LYS X 111 15.023 17.379 -10.686 1.00 0.00 C ATOM 3262 CD LYS X 111 14.126 16.503 -9.820 1.00 0.00 C ATOM 3263 CE LYS X 111 13.947 17.211 -8.493 1.00 0.00 C ATOM 3264 NZ LYS X 111 13.000 16.454 -7.631 1.00 0.00 N ATOM 0 H LYS X 111 17.652 17.225 -10.592 1.00 0.00 H new ATOM 0 HA LYS X 111 17.010 16.885 -13.434 1.00 0.00 H new ATOM 0 HB2 LYS X 111 14.813 16.344 -12.565 1.00 0.00 H new ATOM 0 HB3 LYS X 111 15.973 15.612 -11.475 1.00 0.00 H new ATOM 0 HG2 LYS X 111 15.834 17.790 -10.084 1.00 0.00 H new ATOM 0 HG3 LYS X 111 14.454 18.224 -11.073 1.00 0.00 H new ATOM 0 HD2 LYS X 111 13.162 16.344 -10.304 1.00 0.00 H new ATOM 0 HD3 LYS X 111 14.575 15.521 -9.673 1.00 0.00 H new ATOM 0 HE2 LYS X 111 14.910 17.307 -7.991 1.00 0.00 H new ATOM 0 HE3 LYS X 111 13.572 18.221 -8.659 1.00 0.00 H new ATOM 0 HZ1 LYS X 111 12.346 17.117 -7.168 1.00 0.00 H new ATOM 0 HZ2 LYS X 111 12.459 15.784 -8.214 1.00 0.00 H new ATOM 0 HZ3 LYS X 111 13.532 15.931 -6.907 1.00 0.00 H new ATOM 3278 N THR X 112 16.433 19.711 -11.896 1.00 0.00 N ATOM 3279 CA THR X 112 15.952 21.103 -12.158 1.00 0.00 C ATOM 3280 C THR X 112 16.676 21.661 -13.382 1.00 0.00 C ATOM 3281 O THR X 112 16.156 22.489 -14.102 1.00 0.00 O ATOM 3282 CB THR X 112 16.234 22.010 -10.955 1.00 0.00 C ATOM 3283 OG1 THR X 112 17.632 22.055 -10.712 1.00 0.00 O ATOM 3284 CG2 THR X 112 15.508 21.481 -9.718 1.00 0.00 C ATOM 0 H THR X 112 16.901 19.568 -11.001 1.00 0.00 H new ATOM 0 HA THR X 112 14.876 21.074 -12.332 1.00 0.00 H new ATOM 0 HB THR X 112 15.873 23.015 -11.172 1.00 0.00 H new ATOM 0 HG1 THR X 112 18.064 21.287 -11.142 1.00 0.00 H new ATOM 0 HG21 THR X 112 15.715 22.132 -8.869 1.00 0.00 H new ATOM 0 HG22 THR X 112 14.435 21.461 -9.907 1.00 0.00 H new ATOM 0 HG23 THR X 112 15.856 20.472 -9.495 1.00 0.00 H new ATOM 3292 N GLU X 113 17.876 21.211 -13.620 1.00 0.00 N ATOM 3293 CA GLU X 113 18.647 21.706 -14.795 1.00 0.00 C ATOM 3294 CB GLU X 113 17.856 21.436 -16.095 1.00 0.00 C ATOM 3295 CG GLU X 113 16.981 20.173 -15.937 1.00 0.00 C ATOM 3296 CD GLU X 113 16.806 19.481 -17.295 1.00 0.00 C ATOM 3297 OE1 GLU X 113 16.730 20.183 -18.291 1.00 0.00 O ATOM 3298 OE2 GLU X 113 16.757 18.262 -17.314 1.00 0.00 O ATOM 0 H GLU X 113 18.359 20.518 -13.048 1.00 0.00 H new ATOM 0 HB2 GLU X 113 17.228 22.295 -16.332 1.00 0.00 H new ATOM 0 HB3 GLU X 113 18.546 21.307 -16.929 1.00 0.00 H new ATOM 0 HG2 GLU X 113 17.443 19.487 -15.227 1.00 0.00 H new ATOM 0 HG3 GLU X 113 16.007 20.444 -15.530 1.00 0.00 H new ATOM 3493 N ARG Y 104 -13.732 20.371 -24.800 1.00 0.00 N ATOM 3494 CA ARG Y 104 -13.324 19.445 -23.703 1.00 0.00 C ATOM 3495 C ARG Y 104 -11.897 19.773 -23.238 1.00 0.00 C ATOM 3496 O ARG Y 104 -11.595 19.735 -22.059 1.00 0.00 O ATOM 3497 CB ARG Y 104 -13.392 17.990 -24.202 1.00 0.00 C ATOM 3498 CG ARG Y 104 -14.825 17.452 -24.070 1.00 0.00 C ATOM 3499 CD ARG Y 104 -15.785 18.303 -24.903 1.00 0.00 C ATOM 3500 NE ARG Y 104 -17.146 17.700 -24.868 1.00 0.00 N ATOM 3501 CZ ARG Y 104 -18.175 18.399 -25.263 1.00 0.00 C ATOM 3502 NH1 ARG Y 104 -18.002 19.612 -25.714 1.00 0.00 N ATOM 3503 NH2 ARG Y 104 -19.373 17.886 -25.214 1.00 0.00 N ATOM 0 HA ARG Y 104 -14.005 19.569 -22.861 1.00 0.00 H new ATOM 0 HB2 ARG Y 104 -13.071 17.939 -25.242 1.00 0.00 H new ATOM 0 HB3 ARG Y 104 -12.707 17.368 -23.626 1.00 0.00 H new ATOM 0 HG2 ARG Y 104 -14.864 16.415 -24.403 1.00 0.00 H new ATOM 0 HG3 ARG Y 104 -15.131 17.463 -23.024 1.00 0.00 H new ATOM 0 HD2 ARG Y 104 -15.817 19.320 -24.513 1.00 0.00 H new ATOM 0 HD3 ARG Y 104 -15.431 18.367 -25.932 1.00 0.00 H new ATOM 0 HE ARG Y 104 -17.274 16.744 -24.536 1.00 0.00 H new ATOM 0 HH11 ARG Y 104 -17.064 20.011 -25.757 1.00 0.00 H new ATOM 0 HH12 ARG Y 104 -18.804 20.160 -26.023 1.00 0.00 H new ATOM 0 HH21 ARG Y 104 -19.507 16.937 -24.866 1.00 0.00 H new ATOM 0 HH22 ARG Y 104 -20.176 18.434 -25.523 1.00 0.00 H new ATOM 3517 N HIS Y 105 -11.009 20.084 -24.145 1.00 0.00 N ATOM 3518 CA HIS Y 105 -9.615 20.391 -23.719 1.00 0.00 C ATOM 3519 C HIS Y 105 -9.641 21.575 -22.752 1.00 0.00 C ATOM 3520 O HIS Y 105 -8.899 21.618 -21.792 1.00 0.00 O ATOM 3521 CB HIS Y 105 -8.735 20.709 -24.946 1.00 0.00 C ATOM 3522 CG HIS Y 105 -8.936 22.132 -25.410 1.00 0.00 C ATOM 3523 ND1 HIS Y 105 -9.473 22.436 -26.652 1.00 0.00 N ATOM 3524 CD2 HIS Y 105 -8.673 23.341 -24.809 1.00 0.00 C ATOM 3525 CE1 HIS Y 105 -9.520 23.776 -26.759 1.00 0.00 C ATOM 3526 NE2 HIS Y 105 -9.044 24.372 -25.664 1.00 0.00 N ATOM 0 H HIS Y 105 -11.186 20.138 -25.148 1.00 0.00 H new ATOM 0 HA HIS Y 105 -9.187 19.524 -23.217 1.00 0.00 H new ATOM 0 HB2 HIS Y 105 -7.686 20.551 -24.695 1.00 0.00 H new ATOM 0 HB3 HIS Y 105 -8.976 20.022 -25.757 1.00 0.00 H new ATOM 0 HD2 HIS Y 105 -8.245 23.469 -23.826 1.00 0.00 H new ATOM 0 HE1 HIS Y 105 -9.896 24.304 -27.623 1.00 0.00 H new ATOM 0 HE2 HIS Y 105 -8.968 25.374 -25.491 1.00 0.00 H new ATOM 3535 N LYS Y 106 -10.496 22.531 -22.991 1.00 0.00 N ATOM 3536 CA LYS Y 106 -10.568 23.703 -22.078 1.00 0.00 C ATOM 3537 C LYS Y 106 -10.923 23.222 -20.671 1.00 0.00 C ATOM 3538 O LYS Y 106 -10.531 23.815 -19.686 1.00 0.00 O ATOM 3539 CB LYS Y 106 -11.623 24.697 -22.565 1.00 0.00 C ATOM 3540 CG LYS Y 106 -11.539 25.957 -21.702 1.00 0.00 C ATOM 3541 CD LYS Y 106 -12.569 26.987 -22.162 1.00 0.00 C ATOM 3542 CE LYS Y 106 -12.449 28.231 -21.280 1.00 0.00 C ATOM 3543 NZ LYS Y 106 -13.495 29.221 -21.661 1.00 0.00 N ATOM 0 H LYS Y 106 -11.146 22.550 -23.777 1.00 0.00 H new ATOM 0 HA LYS Y 106 -9.600 24.204 -22.065 1.00 0.00 H new ATOM 0 HB2 LYS Y 106 -11.455 24.944 -23.613 1.00 0.00 H new ATOM 0 HB3 LYS Y 106 -12.618 24.257 -22.497 1.00 0.00 H new ATOM 0 HG2 LYS Y 106 -11.712 25.702 -20.657 1.00 0.00 H new ATOM 0 HG3 LYS Y 106 -10.537 26.382 -21.764 1.00 0.00 H new ATOM 0 HD2 LYS Y 106 -12.402 27.248 -23.207 1.00 0.00 H new ATOM 0 HD3 LYS Y 106 -13.574 26.572 -22.094 1.00 0.00 H new ATOM 0 HE2 LYS Y 106 -12.560 27.957 -20.231 1.00 0.00 H new ATOM 0 HE3 LYS Y 106 -11.459 28.673 -21.391 1.00 0.00 H new ATOM 0 HZ1 LYS Y 106 -13.410 30.065 -21.059 1.00 0.00 H new ATOM 0 HZ2 LYS Y 106 -13.370 29.492 -22.657 1.00 0.00 H new ATOM 0 HZ3 LYS Y 106 -14.436 28.798 -21.533 1.00 0.00 H new ATOM 3557 N LYS Y 107 -11.660 22.152 -20.561 1.00 0.00 N ATOM 3558 CA LYS Y 107 -12.024 21.655 -19.207 1.00 0.00 C ATOM 3559 C LYS Y 107 -10.736 21.329 -18.452 1.00 0.00 C ATOM 3560 O LYS Y 107 -10.615 21.605 -17.282 1.00 0.00 O ATOM 3561 CB LYS Y 107 -12.872 20.387 -19.328 1.00 0.00 C ATOM 3562 CG LYS Y 107 -13.248 19.894 -17.930 1.00 0.00 C ATOM 3563 CD LYS Y 107 -14.256 18.744 -18.042 1.00 0.00 C ATOM 3564 CE LYS Y 107 -13.643 17.584 -18.834 1.00 0.00 C ATOM 3565 NZ LYS Y 107 -12.209 17.424 -18.460 1.00 0.00 N ATOM 0 H LYS Y 107 -12.023 21.605 -21.342 1.00 0.00 H new ATOM 0 HA LYS Y 107 -12.597 22.415 -18.675 1.00 0.00 H new ATOM 0 HB2 LYS Y 107 -13.772 20.592 -19.908 1.00 0.00 H new ATOM 0 HB3 LYS Y 107 -12.318 19.615 -19.861 1.00 0.00 H new ATOM 0 HG2 LYS Y 107 -12.356 19.559 -17.400 1.00 0.00 H new ATOM 0 HG3 LYS Y 107 -13.676 20.711 -17.349 1.00 0.00 H new ATOM 0 HD2 LYS Y 107 -14.544 18.404 -17.047 1.00 0.00 H new ATOM 0 HD3 LYS Y 107 -15.164 19.092 -18.535 1.00 0.00 H new ATOM 0 HE2 LYS Y 107 -14.188 16.662 -18.628 1.00 0.00 H new ATOM 0 HE3 LYS Y 107 -13.731 17.774 -19.904 1.00 0.00 H new ATOM 0 HZ1 LYS Y 107 -11.888 16.469 -18.717 1.00 0.00 H new ATOM 0 HZ2 LYS Y 107 -11.637 18.130 -18.967 1.00 0.00 H new ATOM 0 HZ3 LYS Y 107 -12.100 17.562 -17.435 1.00 0.00 H new ATOM 3579 N LEU Y 108 -9.775 20.753 -19.129 1.00 0.00 N ATOM 3580 CA LEU Y 108 -8.464 20.413 -18.480 1.00 0.00 C ATOM 3581 C LEU Y 108 -7.673 21.711 -18.240 1.00 0.00 C ATOM 3582 O LEU Y 108 -6.859 21.807 -17.338 1.00 0.00 O ATOM 3583 CB LEU Y 108 -7.695 19.466 -19.422 1.00 0.00 C ATOM 3584 CG LEU Y 108 -6.349 19.037 -18.823 1.00 0.00 C ATOM 3585 CD1 LEU Y 108 -6.562 17.995 -17.714 1.00 0.00 C ATOM 3586 CD2 LEU Y 108 -5.486 18.409 -19.922 1.00 0.00 C ATOM 0 H LEU Y 108 -9.840 20.500 -20.115 1.00 0.00 H new ATOM 0 HA LEU Y 108 -8.616 19.920 -17.520 1.00 0.00 H new ATOM 0 HB2 LEU Y 108 -8.301 18.583 -19.624 1.00 0.00 H new ATOM 0 HB3 LEU Y 108 -7.526 19.962 -20.378 1.00 0.00 H new ATOM 0 HG LEU Y 108 -5.858 19.915 -18.404 1.00 0.00 H new ATOM 0 HD11 LEU Y 108 -5.597 17.702 -17.300 1.00 0.00 H new ATOM 0 HD12 LEU Y 108 -7.180 18.424 -16.925 1.00 0.00 H new ATOM 0 HD13 LEU Y 108 -7.060 17.119 -18.129 1.00 0.00 H new ATOM 0 HD21 LEU Y 108 -4.528 18.102 -19.502 1.00 0.00 H new ATOM 0 HD22 LEU Y 108 -5.997 17.539 -20.333 1.00 0.00 H new ATOM 0 HD23 LEU Y 108 -5.318 19.139 -20.714 1.00 0.00 H new ATOM 3598 N MET Y 109 -7.921 22.715 -19.026 1.00 0.00 N ATOM 3599 CA MET Y 109 -7.205 24.007 -18.838 1.00 0.00 C ATOM 3600 C MET Y 109 -7.590 24.627 -17.488 1.00 0.00 C ATOM 3601 O MET Y 109 -6.871 25.440 -16.945 1.00 0.00 O ATOM 3602 CB MET Y 109 -7.549 24.976 -19.972 1.00 0.00 C ATOM 3603 CG MET Y 109 -7.057 24.397 -21.301 1.00 0.00 C ATOM 3604 SD MET Y 109 -5.243 24.360 -21.313 1.00 0.00 S ATOM 3605 CE MET Y 109 -5.024 22.667 -21.929 1.00 0.00 C ATOM 0 H MET Y 109 -8.591 22.699 -19.795 1.00 0.00 H new ATOM 0 HA MET Y 109 -6.132 23.817 -18.852 1.00 0.00 H new ATOM 0 HB2 MET Y 109 -8.626 25.141 -20.011 1.00 0.00 H new ATOM 0 HB3 MET Y 109 -7.085 25.945 -19.791 1.00 0.00 H new ATOM 0 HG2 MET Y 109 -7.452 23.391 -21.440 1.00 0.00 H new ATOM 0 HG3 MET Y 109 -7.424 25.001 -22.131 1.00 0.00 H new ATOM 0 HE1 MET Y 109 -3.960 22.444 -22.009 1.00 0.00 H new ATOM 0 HE2 MET Y 109 -5.491 21.965 -21.238 1.00 0.00 H new ATOM 0 HE3 MET Y 109 -5.489 22.574 -22.910 1.00 0.00 H new ATOM 3615 N PHE Y 110 -8.741 24.280 -16.966 1.00 0.00 N ATOM 3616 CA PHE Y 110 -9.205 24.878 -15.670 1.00 0.00 C ATOM 3617 C PHE Y 110 -8.035 25.010 -14.688 1.00 0.00 C ATOM 3618 O PHE Y 110 -7.848 26.037 -14.065 1.00 0.00 O ATOM 3619 CB PHE Y 110 -10.311 23.987 -15.059 1.00 0.00 C ATOM 3620 CG PHE Y 110 -9.720 22.814 -14.283 1.00 0.00 C ATOM 3621 CD1 PHE Y 110 -8.973 21.837 -14.948 1.00 0.00 C ATOM 3622 CD2 PHE Y 110 -9.936 22.697 -12.901 1.00 0.00 C ATOM 3623 CE1 PHE Y 110 -8.441 20.755 -14.249 1.00 0.00 C ATOM 3624 CE2 PHE Y 110 -9.398 21.609 -12.199 1.00 0.00 C ATOM 3625 CZ PHE Y 110 -8.651 20.639 -12.877 1.00 0.00 C ATOM 0 H PHE Y 110 -9.383 23.606 -17.382 1.00 0.00 H new ATOM 0 HA PHE Y 110 -9.605 25.873 -15.863 1.00 0.00 H new ATOM 0 HB2 PHE Y 110 -10.936 24.585 -14.396 1.00 0.00 H new ATOM 0 HB3 PHE Y 110 -10.957 23.611 -15.853 1.00 0.00 H new ATOM 0 HD1 PHE Y 110 -8.807 21.921 -16.012 1.00 0.00 H new ATOM 0 HD2 PHE Y 110 -10.516 23.444 -12.379 1.00 0.00 H new ATOM 0 HE1 PHE Y 110 -7.865 20.006 -14.772 1.00 0.00 H new ATOM 0 HE2 PHE Y 110 -9.560 21.520 -11.135 1.00 0.00 H new ATOM 0 HZ PHE Y 110 -8.237 19.801 -12.336 1.00 0.00 H new ATOM 3635 N LYS Y 111 -7.252 23.984 -14.546 1.00 0.00 N ATOM 3636 CA LYS Y 111 -6.102 24.051 -13.608 1.00 0.00 C ATOM 3637 C LYS Y 111 -4.937 24.795 -14.269 1.00 0.00 C ATOM 3638 O LYS Y 111 -4.126 25.391 -13.601 1.00 0.00 O ATOM 3639 CB LYS Y 111 -5.677 22.630 -13.256 1.00 0.00 C ATOM 3640 CG LYS Y 111 -5.041 21.985 -14.475 1.00 0.00 C ATOM 3641 CD LYS Y 111 -4.883 20.486 -14.251 1.00 0.00 C ATOM 3642 CE LYS Y 111 -4.647 19.850 -15.606 1.00 0.00 C ATOM 3643 NZ LYS Y 111 -4.381 18.393 -15.449 1.00 0.00 N ATOM 0 H LYS Y 111 -7.358 23.098 -15.040 1.00 0.00 H new ATOM 0 HA LYS Y 111 -6.390 24.586 -12.703 1.00 0.00 H new ATOM 0 HB2 LYS Y 111 -4.970 22.644 -12.426 1.00 0.00 H new ATOM 0 HB3 LYS Y 111 -6.540 22.049 -12.930 1.00 0.00 H new ATOM 0 HG2 LYS Y 111 -5.658 22.166 -15.355 1.00 0.00 H new ATOM 0 HG3 LYS Y 111 -4.068 22.436 -14.669 1.00 0.00 H new ATOM 0 HD2 LYS Y 111 -4.048 20.284 -13.581 1.00 0.00 H new ATOM 0 HD3 LYS Y 111 -5.775 20.071 -13.782 1.00 0.00 H new ATOM 0 HE2 LYS Y 111 -5.518 20.002 -16.244 1.00 0.00 H new ATOM 0 HE3 LYS Y 111 -3.802 20.331 -16.100 1.00 0.00 H new ATOM 0 HZ1 LYS Y 111 -3.675 18.091 -16.151 1.00 0.00 H new ATOM 0 HZ2 LYS Y 111 -4.019 18.207 -14.492 1.00 0.00 H new ATOM 0 HZ3 LYS Y 111 -5.263 17.861 -15.594 1.00 0.00 H new ATOM 3657 N THR Y 112 -4.826 24.735 -15.575 1.00 0.00 N ATOM 3658 CA THR Y 112 -3.692 25.441 -16.251 1.00 0.00 C ATOM 3659 C THR Y 112 -3.777 26.939 -15.952 1.00 0.00 C ATOM 3660 O THR Y 112 -2.782 27.633 -15.903 1.00 0.00 O ATOM 3661 CB THR Y 112 -3.751 25.227 -17.765 1.00 0.00 C ATOM 3662 OG1 THR Y 112 -4.968 25.748 -18.272 1.00 0.00 O ATOM 3663 CG2 THR Y 112 -3.651 23.733 -18.075 1.00 0.00 C ATOM 0 H THR Y 112 -5.463 24.234 -16.195 1.00 0.00 H new ATOM 0 HA THR Y 112 -2.753 25.036 -15.873 1.00 0.00 H new ATOM 0 HB THR Y 112 -2.918 25.746 -18.239 1.00 0.00 H new ATOM 0 HG1 THR Y 112 -5.624 25.810 -17.547 1.00 0.00 H new ATOM 0 HG21 THR Y 112 -3.693 23.582 -19.154 1.00 0.00 H new ATOM 0 HG22 THR Y 112 -2.708 23.344 -17.691 1.00 0.00 H new ATOM 0 HG23 THR Y 112 -4.480 23.207 -17.602 1.00 0.00 H new ATOM 3671 N GLU Y 113 -4.967 27.441 -15.759 1.00 0.00 N ATOM 3672 CA GLU Y 113 -5.137 28.895 -15.471 1.00 0.00 C ATOM 3673 CB GLU Y 113 -4.332 29.283 -14.212 1.00 0.00 C ATOM 3674 CG GLU Y 113 -4.241 28.083 -13.245 1.00 0.00 C ATOM 3675 CD GLU Y 113 -4.151 28.578 -11.797 1.00 0.00 C ATOM 3676 OE1 GLU Y 113 -3.539 29.611 -11.582 1.00 0.00 O ATOM 3677 OE2 GLU Y 113 -4.701 27.918 -10.932 1.00 0.00 O ATOM 0 H GLU Y 113 -5.833 26.904 -15.789 1.00 0.00 H new ATOM 0 HB2 GLU Y 113 -3.331 29.606 -14.497 1.00 0.00 H new ATOM 0 HB3 GLU Y 113 -4.809 30.126 -13.712 1.00 0.00 H new ATOM 0 HG2 GLU Y 113 -5.115 27.443 -13.365 1.00 0.00 H new ATOM 0 HG3 GLU Y 113 -3.367 27.478 -13.486 1.00 0.00 H new