USER MOD reduce.3.24.130724 H: found=0, std=0, add=968, rem=0, adj=41 USER MOD reduce.3.24.130724 removed 966 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: A 102 TYR OH : rot 180:sc= 0.934 USER MOD Set 1.2: A 106 TYR OH : rot 34:sc= 1.09 USER MOD Set 2.1: A 72 ASN :FLIP amide:sc= -0.988 F(o=-2!,f=-0.99) USER MOD Set 2.2: A 82 LYS NZ :NH3+ 161:sc= 0 (180deg=0) USER MOD Set 3.1: A 64 HIS : no HE2:sc= 0.351 K(o=-2.1,f=-6.4!) USER MOD Set 3.2: A 68 GLN : amide:sc= -2.48! C(o=-2.1!,f=-6.3!) USER MOD Set 4.1: A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 4.2: A 48 HIS :FLIP no HE2:sc= -6.89! C(o=-11!,f=-6.9!) USER MOD Set 5.1: A 23 TYR OH : rot 180:sc= 0.234 USER MOD Set 5.2: A 46 HIS : no HE2:sc= -0.274 K(o=-0.041,f=-2.2) USER MOD Set 6.1: A 30 ASN :FLIP amide:sc= -1.14! F(o=-4,f=-0.36!) USER MOD Set 6.2: A 33 THR OG1 : rot -1:sc= 0.75 USER MOD Set 6.3: A 34 SER OG : rot 147:sc= 0.0319 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 48:sc= 0.753 USER MOD Single : A 3 SER OG : rot 180:sc= -0.105 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ -172:sc= 0.0252 (180deg=-0.0101) USER MOD Single : A 16 CYS SG : rot -166:sc= -1.67 USER MOD Single : A 17 GLN : amide:sc= 0.523 K(o=0.52,f=-0.46) USER MOD Single : A 18 MET CE :methyl -172:sc= -0.0175 (180deg=-0.105) USER MOD Single : A 20 THR OG1 : rot -66:sc= 0.441 USER MOD Single : A 25 ASN : amide:sc= -0.818 K(o=-0.82,f=-6.7!) USER MOD Single : A 27 ASN : amide:sc= -0.0247 X(o=-0.025,f=-0.34) USER MOD Single : A 29 HIS : no HD1:sc= -0.0278 X(o=-0.028,f=-0.028) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0.257 USER MOD Single : A 42 ASN : amide:sc= -5.16! C(o=-5.2!,f=-7.5!) USER MOD Single : A 47 LYS NZ :NH3+ -134:sc= 0.573 (180deg=0.00105) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ 157:sc= -0.05 (180deg=-0.725) USER MOD Single : A 60 LYS NZ :NH3+ 147:sc=-0.00691 (180deg=-0.103) USER MOD Single : A 61 CYS SG : rot 180:sc= 0 USER MOD Single : A 62 ASN :FLIP amide:sc= -0.164 F(o=-2.4,f=-0.16) USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 ASN : amide:sc= 1.12 K(o=1.1,f=-2.4) USER MOD Single : A 69 ASN : amide:sc= -0.0114 X(o=-0.011,f=0) USER MOD Single : A 76 LYS NZ :NH3+ -118:sc= -0.278 (180deg=-0.828) USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 ASN : amide:sc= -3.1! C(o=-3.1!,f=-6.3!) USER MOD Single : A 93 GLN : amide:sc=-0.00296 X(o=-0.003,f=-0.23) USER MOD Single : A 97 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.135) USER MOD Single : A 98 SER OG : rot -60:sc= 0.987 USER MOD Single : A 101 THR OG1 : rot 73:sc= 0.418 USER MOD Single : A 105 THR OG1 : rot -91:sc= 1.04 USER MOD Single : A 107 TYR OH : rot 180:sc= 0 USER MOD Single : A 108 HIS : no HD1:sc= -0.203 X(o=-0.2,f=0.034) USER MOD Single : A 109 TYR OH : rot 180:sc= 0 USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 113 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 114 LYS NZ :NH3+ 158:sc= -0.0574 (180deg=-0.372) USER MOD Single : A 121 LYS NZ :NH3+ -110:sc= 0.217 (180deg=-1.52) USER MOD Single : A 122 SER OG : rot 180:sc= 0 USER MOD Single : A 125 SER OG : rot 180:sc= 0 USER MOD Single : A 126 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 19.110 14.747 -2.815 1.00 0.00 N ATOM 2 CA GLY A 1 19.054 13.741 -3.858 1.00 0.00 C ATOM 3 C GLY A 1 19.994 12.581 -3.596 1.00 0.00 C ATOM 4 O GLY A 1 19.674 11.677 -2.825 1.00 0.00 O ATOM 0 H1 GLY A 1 18.450 15.518 -3.041 1.00 0.00 H new ATOM 0 H2 GLY A 1 18.844 14.319 -1.905 1.00 0.00 H new ATOM 0 H3 GLY A 1 20.076 15.126 -2.750 1.00 0.00 H new ATOM 0 HA2 GLY A 1 18.034 13.366 -3.942 1.00 0.00 H new ATOM 0 HA3 GLY A 1 19.305 14.199 -4.814 1.00 0.00 H new ATOM 8 N SER A 2 21.156 12.604 -4.241 1.00 0.00 N ATOM 9 CA SER A 2 22.142 11.543 -4.078 1.00 0.00 C ATOM 10 C SER A 2 23.198 11.937 -3.050 1.00 0.00 C ATOM 11 O SER A 2 24.148 12.654 -3.361 1.00 0.00 O ATOM 12 CB SER A 2 22.811 11.230 -5.418 1.00 0.00 C ATOM 13 OG SER A 2 23.431 12.384 -5.960 1.00 0.00 O ATOM 0 H SER A 2 21.437 13.346 -4.881 1.00 0.00 H new ATOM 0 HA SER A 2 21.626 10.652 -3.720 1.00 0.00 H new ATOM 0 HB2 SER A 2 23.554 10.444 -5.282 1.00 0.00 H new ATOM 0 HB3 SER A 2 22.068 10.849 -6.119 1.00 0.00 H new ATOM 0 HG SER A 2 23.969 12.822 -5.268 1.00 0.00 H new ATOM 19 N SER A 3 23.023 11.460 -1.820 1.00 0.00 N ATOM 20 CA SER A 3 23.957 11.765 -0.742 1.00 0.00 C ATOM 21 C SER A 3 24.941 10.618 -0.537 1.00 0.00 C ATOM 22 O SER A 3 26.143 10.835 -0.384 1.00 0.00 O ATOM 23 CB SER A 3 23.197 12.039 0.557 1.00 0.00 C ATOM 24 OG SER A 3 22.674 10.841 1.104 1.00 0.00 O ATOM 0 H SER A 3 22.244 10.862 -1.546 1.00 0.00 H new ATOM 0 HA SER A 3 24.518 12.657 -1.021 1.00 0.00 H new ATOM 0 HB2 SER A 3 23.863 12.512 1.279 1.00 0.00 H new ATOM 0 HB3 SER A 3 22.385 12.740 0.366 1.00 0.00 H new ATOM 0 HG SER A 3 22.194 11.043 1.934 1.00 0.00 H new ATOM 30 N GLY A 4 24.422 9.394 -0.537 1.00 0.00 N ATOM 31 CA GLY A 4 25.268 8.229 -0.349 1.00 0.00 C ATOM 32 C GLY A 4 24.532 7.077 0.306 1.00 0.00 C ATOM 33 O GLY A 4 24.069 6.160 -0.373 1.00 0.00 O ATOM 0 H GLY A 4 23.431 9.188 -0.664 1.00 0.00 H new ATOM 0 HA2 GLY A 4 25.656 7.906 -1.315 1.00 0.00 H new ATOM 0 HA3 GLY A 4 26.127 8.503 0.264 1.00 0.00 H new ATOM 37 N SER A 5 24.424 7.121 1.630 1.00 0.00 N ATOM 38 CA SER A 5 23.744 6.071 2.378 1.00 0.00 C ATOM 39 C SER A 5 22.322 6.493 2.737 1.00 0.00 C ATOM 40 O SER A 5 21.859 6.265 3.854 1.00 0.00 O ATOM 41 CB SER A 5 24.525 5.733 3.650 1.00 0.00 C ATOM 42 OG SER A 5 24.290 4.396 4.052 1.00 0.00 O ATOM 0 H SER A 5 24.799 7.874 2.207 1.00 0.00 H new ATOM 0 HA SER A 5 23.692 5.184 1.746 1.00 0.00 H new ATOM 0 HB2 SER A 5 25.591 5.882 3.476 1.00 0.00 H new ATOM 0 HB3 SER A 5 24.234 6.413 4.451 1.00 0.00 H new ATOM 0 HG SER A 5 24.801 4.204 4.866 1.00 0.00 H new ATOM 48 N SER A 6 21.635 7.110 1.781 1.00 0.00 N ATOM 49 CA SER A 6 20.268 7.569 1.997 1.00 0.00 C ATOM 50 C SER A 6 19.367 6.411 2.415 1.00 0.00 C ATOM 51 O SER A 6 19.495 5.296 1.912 1.00 0.00 O ATOM 52 CB SER A 6 19.720 8.222 0.726 1.00 0.00 C ATOM 53 OG SER A 6 19.545 7.266 -0.304 1.00 0.00 O ATOM 0 H SER A 6 22.003 7.304 0.849 1.00 0.00 H new ATOM 0 HA SER A 6 20.281 8.306 2.800 1.00 0.00 H new ATOM 0 HB2 SER A 6 18.767 8.705 0.943 1.00 0.00 H new ATOM 0 HB3 SER A 6 20.404 9.002 0.390 1.00 0.00 H new ATOM 0 HG SER A 6 19.192 7.708 -1.104 1.00 0.00 H new ATOM 59 N GLY A 7 18.453 6.685 3.343 1.00 0.00 N ATOM 60 CA GLY A 7 17.544 5.658 3.815 1.00 0.00 C ATOM 61 C GLY A 7 16.682 5.091 2.703 1.00 0.00 C ATOM 62 O GLY A 7 16.851 5.445 1.537 1.00 0.00 O ATOM 0 H GLY A 7 18.327 7.600 3.775 1.00 0.00 H new ATOM 0 HA2 GLY A 7 18.117 4.852 4.273 1.00 0.00 H new ATOM 0 HA3 GLY A 7 16.902 6.074 4.592 1.00 0.00 H new ATOM 66 N ALA A 8 15.757 4.208 3.066 1.00 0.00 N ATOM 67 CA ALA A 8 14.866 3.593 2.091 1.00 0.00 C ATOM 68 C ALA A 8 13.510 4.290 2.069 1.00 0.00 C ATOM 69 O ALA A 8 12.538 3.800 2.644 1.00 0.00 O ATOM 70 CB ALA A 8 14.694 2.111 2.396 1.00 0.00 C ATOM 0 H ALA A 8 15.606 3.903 4.028 1.00 0.00 H new ATOM 0 HA ALA A 8 15.317 3.701 1.105 1.00 0.00 H new ATOM 0 HB1 ALA A 8 14.026 1.663 1.660 1.00 0.00 H new ATOM 0 HB2 ALA A 8 15.664 1.616 2.354 1.00 0.00 H new ATOM 0 HB3 ALA A 8 14.269 1.992 3.392 1.00 0.00 H new ATOM 76 N LYS A 9 13.453 5.438 1.403 1.00 0.00 N ATOM 77 CA LYS A 9 12.215 6.205 1.304 1.00 0.00 C ATOM 78 C LYS A 9 11.912 6.564 -0.146 1.00 0.00 C ATOM 79 O LYS A 9 10.788 6.384 -0.618 1.00 0.00 O ATOM 80 CB LYS A 9 12.313 7.479 2.146 1.00 0.00 C ATOM 81 CG LYS A 9 11.127 8.412 1.976 1.00 0.00 C ATOM 82 CD LYS A 9 11.316 9.702 2.757 1.00 0.00 C ATOM 83 CE LYS A 9 10.437 10.817 2.213 1.00 0.00 C ATOM 84 NZ LYS A 9 9.029 10.694 2.682 1.00 0.00 N ATOM 0 H LYS A 9 14.249 5.859 0.923 1.00 0.00 H new ATOM 0 HA LYS A 9 11.402 5.586 1.684 1.00 0.00 H new ATOM 0 HB2 LYS A 9 12.401 7.204 3.197 1.00 0.00 H new ATOM 0 HB3 LYS A 9 13.225 8.012 1.879 1.00 0.00 H new ATOM 0 HG2 LYS A 9 10.992 8.642 0.919 1.00 0.00 H new ATOM 0 HG3 LYS A 9 10.218 7.912 2.312 1.00 0.00 H new ATOM 0 HD2 LYS A 9 11.080 9.531 3.807 1.00 0.00 H new ATOM 0 HD3 LYS A 9 12.362 10.006 2.711 1.00 0.00 H new ATOM 0 HE2 LYS A 9 10.840 11.781 2.523 1.00 0.00 H new ATOM 0 HE3 LYS A 9 10.460 10.798 1.123 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 8.436 11.388 2.185 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 8.680 9.735 2.484 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 8.987 10.873 3.706 1.00 0.00 H new ATOM 98 N ASP A 10 12.919 7.070 -0.849 1.00 0.00 N ATOM 99 CA ASP A 10 12.759 7.452 -2.247 1.00 0.00 C ATOM 100 C ASP A 10 12.395 6.242 -3.103 1.00 0.00 C ATOM 101 O ASP A 10 11.383 6.247 -3.804 1.00 0.00 O ATOM 102 CB ASP A 10 14.044 8.094 -2.772 1.00 0.00 C ATOM 103 CG ASP A 10 15.291 7.426 -2.227 1.00 0.00 C ATOM 104 OD1 ASP A 10 15.754 7.832 -1.140 1.00 0.00 O ATOM 105 OD2 ASP A 10 15.804 6.497 -2.887 1.00 0.00 O ATOM 0 H ASP A 10 13.855 7.225 -0.474 1.00 0.00 H new ATOM 0 HA ASP A 10 11.947 8.177 -2.309 1.00 0.00 H new ATOM 0 HB2 ASP A 10 14.054 8.042 -3.861 1.00 0.00 H new ATOM 0 HB3 ASP A 10 14.055 9.150 -2.503 1.00 0.00 H new ATOM 110 N ALA A 11 13.227 5.208 -3.041 1.00 0.00 N ATOM 111 CA ALA A 11 12.992 3.991 -3.809 1.00 0.00 C ATOM 112 C ALA A 11 11.567 3.486 -3.613 1.00 0.00 C ATOM 113 O ALA A 11 10.906 3.076 -4.569 1.00 0.00 O ATOM 114 CB ALA A 11 13.995 2.917 -3.415 1.00 0.00 C ATOM 0 H ALA A 11 14.070 5.188 -2.467 1.00 0.00 H new ATOM 0 HA ALA A 11 13.124 4.225 -4.865 1.00 0.00 H new ATOM 0 HB1 ALA A 11 13.808 2.014 -3.996 1.00 0.00 H new ATOM 0 HB2 ALA A 11 15.006 3.273 -3.613 1.00 0.00 H new ATOM 0 HB3 ALA A 11 13.891 2.693 -2.353 1.00 0.00 H new ATOM 120 N LEU A 12 11.099 3.516 -2.370 1.00 0.00 N ATOM 121 CA LEU A 12 9.751 3.060 -2.049 1.00 0.00 C ATOM 122 C LEU A 12 8.703 3.949 -2.711 1.00 0.00 C ATOM 123 O LEU A 12 7.837 3.467 -3.442 1.00 0.00 O ATOM 124 CB LEU A 12 9.543 3.049 -0.533 1.00 0.00 C ATOM 125 CG LEU A 12 8.221 2.459 -0.042 1.00 0.00 C ATOM 126 CD1 LEU A 12 8.199 0.952 -0.246 1.00 0.00 C ATOM 127 CD2 LEU A 12 7.995 2.803 1.423 1.00 0.00 C ATOM 0 H LEU A 12 11.633 3.851 -1.568 1.00 0.00 H new ATOM 0 HA LEU A 12 9.636 2.046 -2.433 1.00 0.00 H new ATOM 0 HB2 LEU A 12 10.359 2.488 -0.078 1.00 0.00 H new ATOM 0 HB3 LEU A 12 9.618 4.073 -0.168 1.00 0.00 H new ATOM 0 HG LEU A 12 7.412 2.896 -0.627 1.00 0.00 H new ATOM 0 HD11 LEU A 12 7.250 0.551 0.110 1.00 0.00 H new ATOM 0 HD12 LEU A 12 8.314 0.727 -1.306 1.00 0.00 H new ATOM 0 HD13 LEU A 12 9.017 0.497 0.312 1.00 0.00 H new ATOM 0 HD21 LEU A 12 7.049 2.375 1.756 1.00 0.00 H new ATOM 0 HD22 LEU A 12 8.809 2.395 2.022 1.00 0.00 H new ATOM 0 HD23 LEU A 12 7.965 3.886 1.542 1.00 0.00 H new ATOM 139 N LEU A 13 8.789 5.250 -2.452 1.00 0.00 N ATOM 140 CA LEU A 13 7.850 6.207 -3.025 1.00 0.00 C ATOM 141 C LEU A 13 7.620 5.925 -4.507 1.00 0.00 C ATOM 142 O LEU A 13 6.482 5.915 -4.978 1.00 0.00 O ATOM 143 CB LEU A 13 8.369 7.634 -2.840 1.00 0.00 C ATOM 144 CG LEU A 13 7.424 8.754 -3.277 1.00 0.00 C ATOM 145 CD1 LEU A 13 6.162 8.749 -2.429 1.00 0.00 C ATOM 146 CD2 LEU A 13 8.121 10.104 -3.190 1.00 0.00 C ATOM 0 H LEU A 13 9.499 5.665 -1.849 1.00 0.00 H new ATOM 0 HA LEU A 13 6.899 6.102 -2.503 1.00 0.00 H new ATOM 0 HB2 LEU A 13 8.609 7.778 -1.786 1.00 0.00 H new ATOM 0 HB3 LEU A 13 9.301 7.735 -3.396 1.00 0.00 H new ATOM 0 HG LEU A 13 7.141 8.580 -4.315 1.00 0.00 H new ATOM 0 HD11 LEU A 13 5.502 9.553 -2.755 1.00 0.00 H new ATOM 0 HD12 LEU A 13 5.652 7.792 -2.541 1.00 0.00 H new ATOM 0 HD13 LEU A 13 6.426 8.898 -1.382 1.00 0.00 H new ATOM 0 HD21 LEU A 13 7.434 10.889 -3.505 1.00 0.00 H new ATOM 0 HD22 LEU A 13 8.434 10.286 -2.162 1.00 0.00 H new ATOM 0 HD23 LEU A 13 8.995 10.105 -3.841 1.00 0.00 H new ATOM 158 N LEU A 14 8.708 5.697 -5.235 1.00 0.00 N ATOM 159 CA LEU A 14 8.625 5.412 -6.663 1.00 0.00 C ATOM 160 C LEU A 14 7.850 4.123 -6.919 1.00 0.00 C ATOM 161 O LEU A 14 7.015 4.058 -7.820 1.00 0.00 O ATOM 162 CB LEU A 14 10.027 5.305 -7.264 1.00 0.00 C ATOM 163 CG LEU A 14 10.098 4.900 -8.737 1.00 0.00 C ATOM 164 CD1 LEU A 14 9.505 5.987 -9.619 1.00 0.00 C ATOM 165 CD2 LEU A 14 11.536 4.607 -9.141 1.00 0.00 C ATOM 0 H LEU A 14 9.657 5.704 -4.860 1.00 0.00 H new ATOM 0 HA LEU A 14 8.093 6.234 -7.141 1.00 0.00 H new ATOM 0 HB2 LEU A 14 10.524 6.268 -7.149 1.00 0.00 H new ATOM 0 HB3 LEU A 14 10.596 4.581 -6.681 1.00 0.00 H new ATOM 0 HG LEU A 14 9.511 3.991 -8.873 1.00 0.00 H new ATOM 0 HD11 LEU A 14 9.564 5.681 -10.663 1.00 0.00 H new ATOM 0 HD12 LEU A 14 8.462 6.148 -9.347 1.00 0.00 H new ATOM 0 HD13 LEU A 14 10.063 6.913 -9.480 1.00 0.00 H new ATOM 0 HD21 LEU A 14 11.567 4.320 -10.192 1.00 0.00 H new ATOM 0 HD22 LEU A 14 12.145 5.498 -8.989 1.00 0.00 H new ATOM 0 HD23 LEU A 14 11.927 3.792 -8.531 1.00 0.00 H new ATOM 177 N TRP A 15 8.131 3.102 -6.118 1.00 0.00 N ATOM 178 CA TRP A 15 7.459 1.815 -6.256 1.00 0.00 C ATOM 179 C TRP A 15 5.945 1.991 -6.274 1.00 0.00 C ATOM 180 O TRP A 15 5.282 1.641 -7.251 1.00 0.00 O ATOM 181 CB TRP A 15 7.863 0.882 -5.114 1.00 0.00 C ATOM 182 CG TRP A 15 7.541 -0.558 -5.382 1.00 0.00 C ATOM 183 CD1 TRP A 15 8.209 -1.404 -6.220 1.00 0.00 C ATOM 184 CD2 TRP A 15 6.471 -1.317 -4.810 1.00 0.00 C ATOM 185 NE1 TRP A 15 7.618 -2.645 -6.204 1.00 0.00 N ATOM 186 CE2 TRP A 15 6.550 -2.618 -5.346 1.00 0.00 C ATOM 187 CE3 TRP A 15 5.454 -1.027 -3.897 1.00 0.00 C ATOM 188 CZ2 TRP A 15 5.651 -3.623 -4.999 1.00 0.00 C ATOM 189 CZ3 TRP A 15 4.563 -2.025 -3.552 1.00 0.00 C ATOM 190 CH2 TRP A 15 4.665 -3.310 -4.102 1.00 0.00 C ATOM 0 H TRP A 15 8.819 3.140 -5.366 1.00 0.00 H new ATOM 0 HA TRP A 15 7.765 1.372 -7.204 1.00 0.00 H new ATOM 0 HB2 TRP A 15 8.934 0.980 -4.935 1.00 0.00 H new ATOM 0 HB3 TRP A 15 7.357 1.196 -4.201 1.00 0.00 H new ATOM 0 HD1 TRP A 15 9.074 -1.137 -6.809 1.00 0.00 H new ATOM 0 HE1 TRP A 15 7.925 -3.455 -6.743 1.00 0.00 H new ATOM 0 HE3 TRP A 15 5.366 -0.040 -3.468 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 5.729 -4.614 -5.422 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 3.774 -1.811 -2.846 1.00 0.00 H new ATOM 0 HH2 TRP A 15 3.952 -4.068 -3.813 1.00 0.00 H new ATOM 201 N CYS A 16 5.404 2.536 -5.190 1.00 0.00 N ATOM 202 CA CYS A 16 3.967 2.757 -5.082 1.00 0.00 C ATOM 203 C CYS A 16 3.430 3.462 -6.325 1.00 0.00 C ATOM 204 O CYS A 16 2.347 3.139 -6.813 1.00 0.00 O ATOM 205 CB CYS A 16 3.648 3.585 -3.836 1.00 0.00 C ATOM 206 SG CYS A 16 4.207 2.833 -2.289 1.00 0.00 S ATOM 0 H CYS A 16 5.939 2.833 -4.374 1.00 0.00 H new ATOM 0 HA CYS A 16 3.481 1.785 -4.998 1.00 0.00 H new ATOM 0 HB2 CYS A 16 4.109 4.568 -3.938 1.00 0.00 H new ATOM 0 HB3 CYS A 16 2.571 3.742 -3.783 1.00 0.00 H new ATOM 0 HG CYS A 16 3.641 3.434 -1.285 1.00 0.00 H new ATOM 212 N GLN A 17 4.194 4.424 -6.829 1.00 0.00 N ATOM 213 CA GLN A 17 3.794 5.175 -8.014 1.00 0.00 C ATOM 214 C GLN A 17 3.623 4.249 -9.213 1.00 0.00 C ATOM 215 O GLN A 17 2.700 4.413 -10.009 1.00 0.00 O ATOM 216 CB GLN A 17 4.829 6.255 -8.332 1.00 0.00 C ATOM 217 CG GLN A 17 4.583 7.567 -7.603 1.00 0.00 C ATOM 218 CD GLN A 17 5.653 8.602 -7.888 1.00 0.00 C ATOM 219 OE1 GLN A 17 6.191 8.668 -8.993 1.00 0.00 O ATOM 220 NE2 GLN A 17 5.967 9.420 -6.889 1.00 0.00 N ATOM 0 H GLN A 17 5.093 4.703 -6.436 1.00 0.00 H new ATOM 0 HA GLN A 17 2.835 5.650 -7.806 1.00 0.00 H new ATOM 0 HB2 GLN A 17 5.820 5.884 -8.071 1.00 0.00 H new ATOM 0 HB3 GLN A 17 4.830 6.440 -9.406 1.00 0.00 H new ATOM 0 HG2 GLN A 17 3.611 7.964 -7.896 1.00 0.00 H new ATOM 0 HG3 GLN A 17 4.541 7.380 -6.530 1.00 0.00 H new ATOM 0 HE21 GLN A 17 5.496 9.330 -5.989 1.00 0.00 H new ATOM 0 HE22 GLN A 17 6.679 10.138 -7.022 1.00 0.00 H new ATOM 229 N MET A 18 4.520 3.276 -9.336 1.00 0.00 N ATOM 230 CA MET A 18 4.468 2.323 -10.438 1.00 0.00 C ATOM 231 C MET A 18 3.195 1.484 -10.372 1.00 0.00 C ATOM 232 O MET A 18 2.542 1.247 -11.389 1.00 0.00 O ATOM 233 CB MET A 18 5.695 1.410 -10.411 1.00 0.00 C ATOM 234 CG MET A 18 6.982 2.111 -10.816 1.00 0.00 C ATOM 235 SD MET A 18 8.265 0.959 -11.341 1.00 0.00 S ATOM 236 CE MET A 18 9.208 0.789 -9.828 1.00 0.00 C ATOM 0 H MET A 18 5.292 3.127 -8.686 1.00 0.00 H new ATOM 0 HA MET A 18 4.464 2.886 -11.371 1.00 0.00 H new ATOM 0 HB2 MET A 18 5.813 1.003 -9.407 1.00 0.00 H new ATOM 0 HB3 MET A 18 5.525 0.566 -11.079 1.00 0.00 H new ATOM 0 HG2 MET A 18 6.772 2.808 -11.627 1.00 0.00 H new ATOM 0 HG3 MET A 18 7.350 2.700 -9.976 1.00 0.00 H new ATOM 0 HE1 MET A 18 10.117 0.221 -10.027 1.00 0.00 H new ATOM 0 HE2 MET A 18 9.473 1.777 -9.452 1.00 0.00 H new ATOM 0 HE3 MET A 18 8.609 0.266 -9.083 1.00 0.00 H new ATOM 246 N LYS A 19 2.848 1.039 -9.170 1.00 0.00 N ATOM 247 CA LYS A 19 1.653 0.227 -8.970 1.00 0.00 C ATOM 248 C LYS A 19 0.392 1.073 -9.108 1.00 0.00 C ATOM 249 O LYS A 19 -0.442 0.826 -9.981 1.00 0.00 O ATOM 250 CB LYS A 19 1.687 -0.436 -7.591 1.00 0.00 C ATOM 251 CG LYS A 19 2.975 -1.188 -7.309 1.00 0.00 C ATOM 252 CD LYS A 19 3.218 -2.283 -8.335 1.00 0.00 C ATOM 253 CE LYS A 19 4.177 -3.339 -7.807 1.00 0.00 C ATOM 254 NZ LYS A 19 4.416 -4.419 -8.804 1.00 0.00 N ATOM 0 H LYS A 19 3.377 1.227 -8.319 1.00 0.00 H new ATOM 0 HA LYS A 19 1.636 -0.546 -9.738 1.00 0.00 H new ATOM 0 HB2 LYS A 19 1.548 0.328 -6.826 1.00 0.00 H new ATOM 0 HB3 LYS A 19 0.848 -1.126 -7.508 1.00 0.00 H new ATOM 0 HG2 LYS A 19 3.813 -0.491 -7.314 1.00 0.00 H new ATOM 0 HG3 LYS A 19 2.931 -1.626 -6.312 1.00 0.00 H new ATOM 0 HD2 LYS A 19 2.270 -2.751 -8.601 1.00 0.00 H new ATOM 0 HD3 LYS A 19 3.624 -1.845 -9.247 1.00 0.00 H new ATOM 0 HE2 LYS A 19 5.125 -2.870 -7.545 1.00 0.00 H new ATOM 0 HE3 LYS A 19 3.772 -3.772 -6.892 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 5.075 -5.119 -8.406 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 3.515 -4.884 -9.035 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 4.826 -4.010 -9.668 1.00 0.00 H new ATOM 268 N THR A 20 0.257 2.074 -8.243 1.00 0.00 N ATOM 269 CA THR A 20 -0.902 2.956 -8.269 1.00 0.00 C ATOM 270 C THR A 20 -1.120 3.537 -9.661 1.00 0.00 C ATOM 271 O THR A 20 -2.239 3.897 -10.026 1.00 0.00 O ATOM 272 CB THR A 20 -0.752 4.111 -7.261 1.00 0.00 C ATOM 273 OG1 THR A 20 0.403 4.895 -7.582 1.00 0.00 O ATOM 274 CG2 THR A 20 -0.631 3.578 -5.842 1.00 0.00 C ATOM 0 H THR A 20 0.937 2.293 -7.515 1.00 0.00 H new ATOM 0 HA THR A 20 -1.765 2.351 -7.992 1.00 0.00 H new ATOM 0 HB THR A 20 -1.643 4.736 -7.323 1.00 0.00 H new ATOM 0 HG1 THR A 20 1.211 4.357 -7.448 1.00 0.00 H new ATOM 0 HG21 THR A 20 -0.526 4.412 -5.148 1.00 0.00 H new ATOM 0 HG22 THR A 20 -1.525 3.007 -5.590 1.00 0.00 H new ATOM 0 HG23 THR A 20 0.245 2.933 -5.769 1.00 0.00 H new ATOM 282 N ALA A 21 -0.043 3.626 -10.435 1.00 0.00 N ATOM 283 CA ALA A 21 -0.117 4.161 -11.789 1.00 0.00 C ATOM 284 C ALA A 21 -1.282 3.547 -12.559 1.00 0.00 C ATOM 285 O ALA A 21 -1.493 2.336 -12.524 1.00 0.00 O ATOM 286 CB ALA A 21 1.192 3.916 -12.526 1.00 0.00 C ATOM 0 H ALA A 21 0.891 3.334 -10.147 1.00 0.00 H new ATOM 0 HA ALA A 21 -0.287 5.235 -11.720 1.00 0.00 H new ATOM 0 HB1 ALA A 21 1.122 4.321 -13.536 1.00 0.00 H new ATOM 0 HB2 ALA A 21 2.007 4.407 -11.994 1.00 0.00 H new ATOM 0 HB3 ALA A 21 1.386 2.845 -12.577 1.00 0.00 H new ATOM 292 N GLY A 22 -2.038 4.394 -13.253 1.00 0.00 N ATOM 293 CA GLY A 22 -3.173 3.916 -14.021 1.00 0.00 C ATOM 294 C GLY A 22 -4.488 4.479 -13.521 1.00 0.00 C ATOM 295 O GLY A 22 -5.357 4.843 -14.313 1.00 0.00 O ATOM 0 H GLY A 22 -1.884 5.401 -13.297 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -3.040 4.187 -15.068 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -3.206 2.827 -13.976 1.00 0.00 H new ATOM 299 N TYR A 23 -4.637 4.549 -12.203 1.00 0.00 N ATOM 300 CA TYR A 23 -5.858 5.067 -11.598 1.00 0.00 C ATOM 301 C TYR A 23 -5.868 6.593 -11.613 1.00 0.00 C ATOM 302 O TYR A 23 -4.891 7.251 -11.252 1.00 0.00 O ATOM 303 CB TYR A 23 -5.996 4.559 -10.162 1.00 0.00 C ATOM 304 CG TYR A 23 -6.151 3.059 -10.062 1.00 0.00 C ATOM 305 CD1 TYR A 23 -7.406 2.465 -10.116 1.00 0.00 C ATOM 306 CD2 TYR A 23 -5.042 2.234 -9.914 1.00 0.00 C ATOM 307 CE1 TYR A 23 -7.552 1.095 -10.025 1.00 0.00 C ATOM 308 CE2 TYR A 23 -5.180 0.863 -9.824 1.00 0.00 C ATOM 309 CZ TYR A 23 -6.437 0.297 -9.879 1.00 0.00 C ATOM 310 OH TYR A 23 -6.577 -1.068 -9.788 1.00 0.00 O ATOM 0 H TYR A 23 -3.927 4.253 -11.533 1.00 0.00 H new ATOM 0 HA TYR A 23 -6.704 4.710 -12.185 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -5.118 4.864 -9.592 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -6.859 5.037 -9.698 1.00 0.00 H new ATOM 0 HD1 TYR A 23 -8.282 3.086 -10.231 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -4.056 2.673 -9.869 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -8.535 0.650 -10.068 1.00 0.00 H new ATOM 0 HE2 TYR A 23 -4.308 0.236 -9.711 1.00 0.00 H new ATOM 0 HH TYR A 23 -5.694 -1.482 -9.690 1.00 0.00 H new ATOM 320 N PRO A 24 -7.001 7.172 -12.040 1.00 0.00 N ATOM 321 CA PRO A 24 -7.168 8.626 -12.112 1.00 0.00 C ATOM 322 C PRO A 24 -7.244 9.269 -10.731 1.00 0.00 C ATOM 323 O PRO A 24 -6.558 10.253 -10.457 1.00 0.00 O ATOM 324 CB PRO A 24 -8.496 8.794 -12.854 1.00 0.00 C ATOM 325 CG PRO A 24 -9.243 7.534 -12.584 1.00 0.00 C ATOM 326 CD PRO A 24 -8.206 6.451 -12.485 1.00 0.00 C ATOM 0 HA PRO A 24 -6.325 9.110 -12.605 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -9.044 9.664 -12.493 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -8.337 8.939 -13.923 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -9.816 7.611 -11.660 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -9.953 7.322 -13.383 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -8.498 5.679 -11.773 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -8.048 5.957 -13.444 1.00 0.00 H new ATOM 334 N ASN A 25 -8.083 8.708 -9.867 1.00 0.00 N ATOM 335 CA ASN A 25 -8.248 9.229 -8.515 1.00 0.00 C ATOM 336 C ASN A 25 -7.152 8.702 -7.592 1.00 0.00 C ATOM 337 O ASN A 25 -7.377 8.498 -6.398 1.00 0.00 O ATOM 338 CB ASN A 25 -9.623 8.845 -7.963 1.00 0.00 C ATOM 339 CG ASN A 25 -10.048 9.726 -6.804 1.00 0.00 C ATOM 340 OD1 ASN A 25 -9.988 9.318 -5.645 1.00 0.00 O ATOM 341 ND2 ASN A 25 -10.479 10.943 -7.115 1.00 0.00 N ATOM 0 H ASN A 25 -8.659 7.893 -10.079 1.00 0.00 H new ATOM 0 HA ASN A 25 -8.171 10.315 -8.558 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -10.364 8.915 -8.760 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -9.603 7.805 -7.637 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -10.777 11.582 -6.378 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -10.512 11.239 -8.091 1.00 0.00 H new ATOM 348 N VAL A 26 -5.968 8.486 -8.153 1.00 0.00 N ATOM 349 CA VAL A 26 -4.836 7.986 -7.381 1.00 0.00 C ATOM 350 C VAL A 26 -3.550 8.710 -7.759 1.00 0.00 C ATOM 351 O VAL A 26 -3.364 9.108 -8.909 1.00 0.00 O ATOM 352 CB VAL A 26 -4.640 6.472 -7.589 1.00 0.00 C ATOM 353 CG1 VAL A 26 -3.616 5.926 -6.606 1.00 0.00 C ATOM 354 CG2 VAL A 26 -5.966 5.740 -7.453 1.00 0.00 C ATOM 0 H VAL A 26 -5.767 8.649 -9.140 1.00 0.00 H new ATOM 0 HA VAL A 26 -5.061 8.175 -6.331 1.00 0.00 H new ATOM 0 HB VAL A 26 -4.262 6.307 -8.598 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -3.491 4.855 -6.768 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -2.661 6.430 -6.758 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -3.961 6.101 -5.587 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -5.809 4.672 -7.603 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -6.375 5.910 -6.457 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -6.666 6.112 -8.201 1.00 0.00 H new ATOM 364 N ASN A 27 -2.663 8.878 -6.783 1.00 0.00 N ATOM 365 CA ASN A 27 -1.392 9.556 -7.014 1.00 0.00 C ATOM 366 C ASN A 27 -0.507 9.490 -5.773 1.00 0.00 C ATOM 367 O ASN A 27 -0.763 10.168 -4.777 1.00 0.00 O ATOM 368 CB ASN A 27 -1.632 11.016 -7.405 1.00 0.00 C ATOM 369 CG ASN A 27 -0.537 11.562 -8.300 1.00 0.00 C ATOM 370 OD1 ASN A 27 -0.155 10.934 -9.288 1.00 0.00 O ATOM 371 ND2 ASN A 27 -0.024 12.738 -7.957 1.00 0.00 N ATOM 0 H ASN A 27 -2.801 8.554 -5.826 1.00 0.00 H new ATOM 0 HA ASN A 27 -0.881 9.047 -7.831 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -2.591 11.099 -7.916 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -1.698 11.625 -6.503 1.00 0.00 H new ATOM 0 HD21 ASN A 27 0.717 13.155 -8.521 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -0.371 13.224 -7.130 1.00 0.00 H new ATOM 378 N VAL A 28 0.536 8.667 -5.839 1.00 0.00 N ATOM 379 CA VAL A 28 1.460 8.514 -4.722 1.00 0.00 C ATOM 380 C VAL A 28 2.559 9.568 -4.769 1.00 0.00 C ATOM 381 O VAL A 28 3.712 9.266 -5.078 1.00 0.00 O ATOM 382 CB VAL A 28 2.105 7.115 -4.716 1.00 0.00 C ATOM 383 CG1 VAL A 28 2.988 6.939 -3.491 1.00 0.00 C ATOM 384 CG2 VAL A 28 1.036 6.035 -4.772 1.00 0.00 C ATOM 0 H VAL A 28 0.761 8.097 -6.654 1.00 0.00 H new ATOM 0 HA VAL A 28 0.878 8.642 -3.810 1.00 0.00 H new ATOM 0 HB VAL A 28 2.732 7.020 -5.603 1.00 0.00 H new ATOM 0 HG11 VAL A 28 3.435 5.945 -3.504 1.00 0.00 H new ATOM 0 HG12 VAL A 28 3.777 7.691 -3.500 1.00 0.00 H new ATOM 0 HG13 VAL A 28 2.387 7.054 -2.589 1.00 0.00 H new ATOM 0 HG21 VAL A 28 1.510 5.053 -4.767 1.00 0.00 H new ATOM 0 HG22 VAL A 28 0.381 6.126 -3.906 1.00 0.00 H new ATOM 0 HG23 VAL A 28 0.450 6.150 -5.684 1.00 0.00 H new ATOM 394 N HIS A 29 2.195 10.809 -4.459 1.00 0.00 N ATOM 395 CA HIS A 29 3.151 11.910 -4.465 1.00 0.00 C ATOM 396 C HIS A 29 3.644 12.210 -3.052 1.00 0.00 C ATOM 397 O HIS A 29 4.720 12.774 -2.866 1.00 0.00 O ATOM 398 CB HIS A 29 2.517 13.162 -5.073 1.00 0.00 C ATOM 399 CG HIS A 29 3.407 14.366 -5.031 1.00 0.00 C ATOM 400 ND1 HIS A 29 4.463 14.551 -5.898 1.00 0.00 N ATOM 401 CD2 HIS A 29 3.393 15.450 -4.221 1.00 0.00 C ATOM 402 CE1 HIS A 29 5.061 15.696 -5.622 1.00 0.00 C ATOM 403 NE2 HIS A 29 4.431 16.261 -4.608 1.00 0.00 N ATOM 0 H HIS A 29 1.245 11.077 -4.201 1.00 0.00 H new ATOM 0 HA HIS A 29 4.005 11.613 -5.074 1.00 0.00 H new ATOM 0 HB2 HIS A 29 2.247 12.956 -6.109 1.00 0.00 H new ATOM 0 HB3 HIS A 29 1.592 13.386 -4.541 1.00 0.00 H new ATOM 0 HD2 HIS A 29 2.695 15.642 -3.419 1.00 0.00 H new ATOM 0 HE1 HIS A 29 5.919 16.101 -6.138 1.00 0.00 H new ATOM 0 HE2 HIS A 29 4.676 17.155 -4.182 1.00 0.00 H new ATOM 412 N ASN A 30 2.846 11.827 -2.059 1.00 0.00 N ATOM 413 CA ASN A 30 3.200 12.057 -0.663 1.00 0.00 C ATOM 414 C ASN A 30 3.026 10.782 0.158 1.00 0.00 C ATOM 415 O ASN A 30 2.707 9.722 -0.381 1.00 0.00 O ATOM 416 CB ASN A 30 2.340 13.177 -0.075 1.00 0.00 C ATOM 417 CG ASN A 30 0.934 13.185 -0.642 1.00 0.00 C ATOM 418 OD1 ASN A 30 -0.045 12.879 0.201 1.00 0.00 O flip ATOM 419 ND2 ASN A 30 0.731 13.462 -1.824 1.00 0.00 N flip ATOM 0 H ASN A 30 1.951 11.357 -2.196 1.00 0.00 H new ATOM 0 HA ASN A 30 4.248 12.354 -0.623 1.00 0.00 H new ATOM 0 HB2 ASN A 30 2.291 13.063 1.008 1.00 0.00 H new ATOM 0 HB3 ASN A 30 2.814 14.138 -0.274 1.00 0.00 H new ATOM 0 HD21 ASN A 30 1.514 13.691 -2.436 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -0.220 13.462 -2.192 1.00 0.00 H new ATOM 426 N PHE A 31 3.239 10.893 1.465 1.00 0.00 N ATOM 427 CA PHE A 31 3.108 9.751 2.361 1.00 0.00 C ATOM 428 C PHE A 31 2.198 10.087 3.540 1.00 0.00 C ATOM 429 O PHE A 31 2.297 9.481 4.607 1.00 0.00 O ATOM 430 CB PHE A 31 4.482 9.314 2.871 1.00 0.00 C ATOM 431 CG PHE A 31 5.212 8.405 1.924 1.00 0.00 C ATOM 432 CD1 PHE A 31 4.665 7.188 1.551 1.00 0.00 C ATOM 433 CD2 PHE A 31 6.445 8.768 1.406 1.00 0.00 C ATOM 434 CE1 PHE A 31 5.334 6.349 0.680 1.00 0.00 C ATOM 435 CE2 PHE A 31 7.119 7.933 0.534 1.00 0.00 C ATOM 436 CZ PHE A 31 6.562 6.722 0.170 1.00 0.00 C ATOM 0 H PHE A 31 3.503 11.763 1.927 1.00 0.00 H new ATOM 0 HA PHE A 31 2.660 8.931 1.800 1.00 0.00 H new ATOM 0 HB2 PHE A 31 5.091 10.199 3.054 1.00 0.00 H new ATOM 0 HB3 PHE A 31 4.361 8.807 3.828 1.00 0.00 H new ATOM 0 HD1 PHE A 31 3.704 6.891 1.946 1.00 0.00 H new ATOM 0 HD2 PHE A 31 6.884 9.714 1.687 1.00 0.00 H new ATOM 0 HE1 PHE A 31 4.897 5.402 0.398 1.00 0.00 H new ATOM 0 HE2 PHE A 31 8.080 8.227 0.138 1.00 0.00 H new ATOM 0 HZ PHE A 31 7.086 6.069 -0.512 1.00 0.00 H new ATOM 446 N THR A 32 1.313 11.058 3.339 1.00 0.00 N ATOM 447 CA THR A 32 0.387 11.476 4.383 1.00 0.00 C ATOM 448 C THR A 32 -1.036 11.584 3.848 1.00 0.00 C ATOM 449 O THR A 32 -1.879 10.725 4.113 1.00 0.00 O ATOM 450 CB THR A 32 0.799 12.831 4.989 1.00 0.00 C ATOM 451 OG1 THR A 32 1.079 13.769 3.946 1.00 0.00 O ATOM 452 CG2 THR A 32 2.022 12.676 5.880 1.00 0.00 C ATOM 0 H THR A 32 1.218 11.570 2.462 1.00 0.00 H new ATOM 0 HA THR A 32 0.422 10.712 5.160 1.00 0.00 H new ATOM 0 HB THR A 32 -0.028 13.199 5.596 1.00 0.00 H new ATOM 0 HG1 THR A 32 1.338 14.628 4.340 1.00 0.00 H new ATOM 0 HG21 THR A 32 2.294 13.646 6.296 1.00 0.00 H new ATOM 0 HG22 THR A 32 1.796 11.983 6.691 1.00 0.00 H new ATOM 0 HG23 THR A 32 2.854 12.287 5.292 1.00 0.00 H new ATOM 460 N THR A 33 -1.299 12.643 3.089 1.00 0.00 N ATOM 461 CA THR A 33 -2.621 12.863 2.514 1.00 0.00 C ATOM 462 C THR A 33 -2.811 12.044 1.243 1.00 0.00 C ATOM 463 O THR A 33 -3.752 12.270 0.484 1.00 0.00 O ATOM 464 CB THR A 33 -2.852 14.351 2.192 1.00 0.00 C ATOM 465 OG1 THR A 33 -1.880 14.804 1.243 1.00 0.00 O ATOM 466 CG2 THR A 33 -2.770 15.197 3.454 1.00 0.00 C ATOM 0 H THR A 33 -0.614 13.362 2.858 1.00 0.00 H new ATOM 0 HA THR A 33 -3.348 12.543 3.261 1.00 0.00 H new ATOM 0 HB THR A 33 -3.850 14.457 1.767 1.00 0.00 H new ATOM 0 HG1 THR A 33 -1.276 14.067 1.016 1.00 0.00 H new ATOM 0 HG21 THR A 33 -2.936 16.244 3.201 1.00 0.00 H new ATOM 0 HG22 THR A 33 -3.531 14.869 4.162 1.00 0.00 H new ATOM 0 HG23 THR A 33 -1.784 15.085 3.904 1.00 0.00 H new ATOM 474 N SER A 34 -1.912 11.091 1.018 1.00 0.00 N ATOM 475 CA SER A 34 -1.979 10.241 -0.165 1.00 0.00 C ATOM 476 C SER A 34 -2.679 8.923 0.155 1.00 0.00 C ATOM 477 O SER A 34 -3.354 8.345 -0.697 1.00 0.00 O ATOM 478 CB SER A 34 -0.574 9.967 -0.703 1.00 0.00 C ATOM 479 OG SER A 34 0.387 9.999 0.338 1.00 0.00 O ATOM 0 H SER A 34 -1.129 10.888 1.639 1.00 0.00 H new ATOM 0 HA SER A 34 -2.556 10.765 -0.927 1.00 0.00 H new ATOM 0 HB2 SER A 34 -0.552 8.993 -1.192 1.00 0.00 H new ATOM 0 HB3 SER A 34 -0.320 10.709 -1.459 1.00 0.00 H new ATOM 0 HG SER A 34 1.100 9.355 0.145 1.00 0.00 H new ATOM 485 N TRP A 35 -2.512 8.454 1.386 1.00 0.00 N ATOM 486 CA TRP A 35 -3.128 7.205 1.819 1.00 0.00 C ATOM 487 C TRP A 35 -4.307 7.472 2.746 1.00 0.00 C ATOM 488 O TRP A 35 -5.142 6.596 2.972 1.00 0.00 O ATOM 489 CB TRP A 35 -2.097 6.322 2.524 1.00 0.00 C ATOM 490 CG TRP A 35 -0.777 6.270 1.818 1.00 0.00 C ATOM 491 CD1 TRP A 35 0.188 7.238 1.810 1.00 0.00 C ATOM 492 CD2 TRP A 35 -0.275 5.196 1.015 1.00 0.00 C ATOM 493 NE1 TRP A 35 1.257 6.829 1.050 1.00 0.00 N ATOM 494 CE2 TRP A 35 0.998 5.580 0.553 1.00 0.00 C ATOM 495 CE3 TRP A 35 -0.779 3.946 0.644 1.00 0.00 C ATOM 496 CZ2 TRP A 35 1.773 4.759 -0.263 1.00 0.00 C ATOM 497 CZ3 TRP A 35 -0.009 3.132 -0.165 1.00 0.00 C ATOM 498 CH2 TRP A 35 1.255 3.540 -0.611 1.00 0.00 C ATOM 0 H TRP A 35 -1.955 8.920 2.102 1.00 0.00 H new ATOM 0 HA TRP A 35 -3.497 6.685 0.935 1.00 0.00 H new ATOM 0 HB2 TRP A 35 -1.944 6.693 3.538 1.00 0.00 H new ATOM 0 HB3 TRP A 35 -2.494 5.311 2.611 1.00 0.00 H new ATOM 0 HD1 TRP A 35 0.120 8.185 2.325 1.00 0.00 H new ATOM 0 HE1 TRP A 35 2.106 7.369 0.883 1.00 0.00 H new ATOM 0 HE3 TRP A 35 -1.752 3.622 0.983 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 2.747 5.072 -0.609 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 -0.388 2.164 -0.459 1.00 0.00 H new ATOM 0 HH2 TRP A 35 1.832 2.880 -1.242 1.00 0.00 H new ATOM 509 N ARG A 36 -4.371 8.687 3.281 1.00 0.00 N ATOM 510 CA ARG A 36 -5.448 9.068 4.187 1.00 0.00 C ATOM 511 C ARG A 36 -6.788 8.527 3.695 1.00 0.00 C ATOM 512 O ARG A 36 -7.572 7.982 4.474 1.00 0.00 O ATOM 513 CB ARG A 36 -5.520 10.591 4.317 1.00 0.00 C ATOM 514 CG ARG A 36 -6.819 11.090 4.927 1.00 0.00 C ATOM 515 CD ARG A 36 -7.008 12.581 4.693 1.00 0.00 C ATOM 516 NE ARG A 36 -8.217 13.087 5.337 1.00 0.00 N ATOM 517 CZ ARG A 36 -9.434 12.957 4.821 1.00 0.00 C ATOM 518 NH1 ARG A 36 -9.603 12.342 3.660 1.00 0.00 N ATOM 519 NH2 ARG A 36 -10.485 13.445 5.468 1.00 0.00 N ATOM 0 H ARG A 36 -3.689 9.425 3.103 1.00 0.00 H new ATOM 0 HA ARG A 36 -5.236 8.636 5.165 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -4.686 10.935 4.929 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -5.397 11.037 3.330 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -7.658 10.544 4.496 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -6.822 10.885 5.998 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -6.141 13.121 5.074 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -7.059 12.776 3.622 1.00 0.00 H new ATOM 0 HE ARG A 36 -8.122 13.567 6.232 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -8.797 11.967 3.160 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -10.539 12.244 3.266 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -10.358 13.920 6.362 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -11.419 13.345 5.072 1.00 0.00 H new ATOM 533 N ASP A 37 -7.044 8.680 2.401 1.00 0.00 N ATOM 534 CA ASP A 37 -8.287 8.205 1.805 1.00 0.00 C ATOM 535 C ASP A 37 -8.394 6.687 1.907 1.00 0.00 C ATOM 536 O ASP A 37 -9.256 6.161 2.609 1.00 0.00 O ATOM 537 CB ASP A 37 -8.375 8.639 0.341 1.00 0.00 C ATOM 538 CG ASP A 37 -9.721 8.320 -0.278 1.00 0.00 C ATOM 539 OD1 ASP A 37 -9.980 7.131 -0.557 1.00 0.00 O ATOM 540 OD2 ASP A 37 -10.518 9.260 -0.484 1.00 0.00 O ATOM 0 H ASP A 37 -6.407 9.130 1.744 1.00 0.00 H new ATOM 0 HA ASP A 37 -9.117 8.647 2.356 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -8.191 9.711 0.271 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -7.590 8.143 -0.230 1.00 0.00 H new ATOM 545 N GLY A 38 -7.512 5.988 1.199 1.00 0.00 N ATOM 546 CA GLY A 38 -7.525 4.538 1.222 1.00 0.00 C ATOM 547 C GLY A 38 -7.241 3.933 -0.139 1.00 0.00 C ATOM 548 O GLY A 38 -6.472 2.979 -0.255 1.00 0.00 O ATOM 0 H GLY A 38 -6.789 6.401 0.610 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -6.782 4.183 1.936 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -8.497 4.192 1.574 1.00 0.00 H new ATOM 552 N LEU A 39 -7.866 4.488 -1.172 1.00 0.00 N ATOM 553 CA LEU A 39 -7.679 3.997 -2.534 1.00 0.00 C ATOM 554 C LEU A 39 -6.253 3.498 -2.741 1.00 0.00 C ATOM 555 O LEU A 39 -6.032 2.322 -3.032 1.00 0.00 O ATOM 556 CB LEU A 39 -7.995 5.102 -3.543 1.00 0.00 C ATOM 557 CG LEU A 39 -9.468 5.498 -3.665 1.00 0.00 C ATOM 558 CD1 LEU A 39 -9.625 6.689 -4.597 1.00 0.00 C ATOM 559 CD2 LEU A 39 -10.297 4.320 -4.157 1.00 0.00 C ATOM 0 H LEU A 39 -8.506 5.278 -1.093 1.00 0.00 H new ATOM 0 HA LEU A 39 -8.363 3.163 -2.691 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -7.422 5.989 -3.272 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -7.643 4.783 -4.524 1.00 0.00 H new ATOM 0 HG LEU A 39 -9.831 5.785 -2.678 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -10.679 6.956 -4.671 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -9.063 7.536 -4.203 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -9.246 6.430 -5.586 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -11.342 4.619 -4.238 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -9.934 4.002 -5.134 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -10.210 3.494 -3.451 1.00 0.00 H new ATOM 571 N ALA A 40 -5.287 4.398 -2.585 1.00 0.00 N ATOM 572 CA ALA A 40 -3.881 4.047 -2.751 1.00 0.00 C ATOM 573 C ALA A 40 -3.614 2.619 -2.290 1.00 0.00 C ATOM 574 O ALA A 40 -3.179 1.774 -3.072 1.00 0.00 O ATOM 575 CB ALA A 40 -3.001 5.025 -1.988 1.00 0.00 C ATOM 0 H ALA A 40 -5.452 5.375 -2.344 1.00 0.00 H new ATOM 0 HA ALA A 40 -3.638 4.109 -3.812 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -1.954 4.752 -2.120 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -3.164 6.034 -2.368 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -3.254 4.991 -0.928 1.00 0.00 H new ATOM 581 N PHE A 41 -3.876 2.355 -1.013 1.00 0.00 N ATOM 582 CA PHE A 41 -3.662 1.028 -0.447 1.00 0.00 C ATOM 583 C PHE A 41 -4.453 -0.025 -1.216 1.00 0.00 C ATOM 584 O PHE A 41 -3.927 -1.083 -1.560 1.00 0.00 O ATOM 585 CB PHE A 41 -4.065 1.009 1.028 1.00 0.00 C ATOM 586 CG PHE A 41 -3.005 1.548 1.947 1.00 0.00 C ATOM 587 CD1 PHE A 41 -1.739 0.987 1.969 1.00 0.00 C ATOM 588 CD2 PHE A 41 -3.276 2.616 2.788 1.00 0.00 C ATOM 589 CE1 PHE A 41 -0.762 1.481 2.813 1.00 0.00 C ATOM 590 CE2 PHE A 41 -2.303 3.114 3.633 1.00 0.00 C ATOM 591 CZ PHE A 41 -1.045 2.545 3.647 1.00 0.00 C ATOM 0 H PHE A 41 -4.237 3.042 -0.351 1.00 0.00 H new ATOM 0 HA PHE A 41 -2.601 0.792 -0.530 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -4.976 1.594 1.155 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -4.300 -0.015 1.319 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -1.513 0.154 1.320 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -4.259 3.064 2.783 1.00 0.00 H new ATOM 0 HE1 PHE A 41 0.222 1.035 2.820 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -2.526 3.948 4.282 1.00 0.00 H new ATOM 0 HZ PHE A 41 -0.284 2.931 4.309 1.00 0.00 H new ATOM 601 N ASN A 42 -5.721 0.272 -1.481 1.00 0.00 N ATOM 602 CA ASN A 42 -6.586 -0.650 -2.208 1.00 0.00 C ATOM 603 C ASN A 42 -6.235 -0.668 -3.693 1.00 0.00 C ATOM 604 O ASN A 42 -6.904 -1.324 -4.491 1.00 0.00 O ATOM 605 CB ASN A 42 -8.053 -0.258 -2.023 1.00 0.00 C ATOM 606 CG ASN A 42 -8.411 -0.024 -0.568 1.00 0.00 C ATOM 607 OD1 ASN A 42 -8.474 -0.962 0.226 1.00 0.00 O ATOM 608 ND2 ASN A 42 -8.647 1.233 -0.211 1.00 0.00 N ATOM 0 H ASN A 42 -6.172 1.144 -1.203 1.00 0.00 H new ATOM 0 HA ASN A 42 -6.431 -1.651 -1.804 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -8.259 0.647 -2.595 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -8.690 -1.044 -2.429 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -8.892 1.451 0.755 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -8.583 1.980 -0.903 1.00 0.00 H new ATOM 615 N ALA A 43 -5.184 0.058 -4.056 1.00 0.00 N ATOM 616 CA ALA A 43 -4.743 0.123 -5.444 1.00 0.00 C ATOM 617 C ALA A 43 -3.590 -0.842 -5.700 1.00 0.00 C ATOM 618 O ALA A 43 -3.532 -1.492 -6.744 1.00 0.00 O ATOM 619 CB ALA A 43 -4.333 1.544 -5.801 1.00 0.00 C ATOM 0 H ALA A 43 -4.621 0.610 -3.408 1.00 0.00 H new ATOM 0 HA ALA A 43 -5.578 -0.173 -6.079 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -4.006 1.578 -6.840 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -5.183 2.213 -5.666 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -3.516 1.861 -5.153 1.00 0.00 H new ATOM 625 N ILE A 44 -2.674 -0.928 -4.742 1.00 0.00 N ATOM 626 CA ILE A 44 -1.522 -1.814 -4.864 1.00 0.00 C ATOM 627 C ILE A 44 -1.959 -3.272 -4.966 1.00 0.00 C ATOM 628 O ILE A 44 -1.407 -4.043 -5.752 1.00 0.00 O ATOM 629 CB ILE A 44 -0.563 -1.660 -3.669 1.00 0.00 C ATOM 630 CG1 ILE A 44 -0.130 -0.201 -3.519 1.00 0.00 C ATOM 631 CG2 ILE A 44 0.649 -2.563 -3.842 1.00 0.00 C ATOM 632 CD1 ILE A 44 0.337 0.151 -2.124 1.00 0.00 C ATOM 0 H ILE A 44 -2.707 -0.395 -3.873 1.00 0.00 H new ATOM 0 HA ILE A 44 -1.000 -1.528 -5.777 1.00 0.00 H new ATOM 0 HB ILE A 44 -1.087 -1.959 -2.761 1.00 0.00 H new ATOM 0 HG12 ILE A 44 0.674 0.005 -4.225 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -0.964 0.447 -3.788 1.00 0.00 H new ATOM 0 HG21 ILE A 44 1.317 -2.443 -2.989 1.00 0.00 H new ATOM 0 HG22 ILE A 44 0.323 -3.601 -3.904 1.00 0.00 H new ATOM 0 HG23 ILE A 44 1.176 -2.293 -4.757 1.00 0.00 H new ATOM 0 HD11 ILE A 44 0.628 1.201 -2.092 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -0.472 -0.023 -1.415 1.00 0.00 H new ATOM 0 HD13 ILE A 44 1.192 -0.471 -1.859 1.00 0.00 H new ATOM 644 N VAL A 45 -2.954 -3.643 -4.168 1.00 0.00 N ATOM 645 CA VAL A 45 -3.468 -5.007 -4.170 1.00 0.00 C ATOM 646 C VAL A 45 -4.238 -5.303 -5.453 1.00 0.00 C ATOM 647 O VAL A 45 -3.836 -6.152 -6.250 1.00 0.00 O ATOM 648 CB VAL A 45 -4.388 -5.263 -2.962 1.00 0.00 C ATOM 649 CG1 VAL A 45 -4.899 -6.696 -2.974 1.00 0.00 C ATOM 650 CG2 VAL A 45 -3.658 -4.959 -1.663 1.00 0.00 C ATOM 0 H VAL A 45 -3.421 -3.018 -3.511 1.00 0.00 H new ATOM 0 HA VAL A 45 -2.605 -5.670 -4.106 1.00 0.00 H new ATOM 0 HB VAL A 45 -5.247 -4.596 -3.034 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -5.547 -6.858 -2.113 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -5.461 -6.874 -3.891 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -4.055 -7.384 -2.927 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -4.323 -5.145 -0.820 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -2.780 -5.599 -1.581 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -3.347 -3.914 -1.656 1.00 0.00 H new ATOM 660 N HIS A 46 -5.347 -4.597 -5.647 1.00 0.00 N ATOM 661 CA HIS A 46 -6.174 -4.783 -6.834 1.00 0.00 C ATOM 662 C HIS A 46 -5.310 -5.068 -8.059 1.00 0.00 C ATOM 663 O HIS A 46 -5.614 -5.955 -8.854 1.00 0.00 O ATOM 664 CB HIS A 46 -7.035 -3.544 -7.080 1.00 0.00 C ATOM 665 CG HIS A 46 -8.269 -3.822 -7.883 1.00 0.00 C ATOM 666 ND1 HIS A 46 -8.438 -3.382 -9.179 1.00 0.00 N ATOM 667 CD2 HIS A 46 -9.396 -4.501 -7.568 1.00 0.00 C ATOM 668 CE1 HIS A 46 -9.617 -3.777 -9.625 1.00 0.00 C ATOM 669 NE2 HIS A 46 -10.218 -4.458 -8.667 1.00 0.00 N ATOM 0 H HIS A 46 -5.694 -3.891 -4.998 1.00 0.00 H new ATOM 0 HA HIS A 46 -6.825 -5.641 -6.663 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -7.325 -3.117 -6.120 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -6.437 -2.793 -7.596 1.00 0.00 H new ATOM 0 HD1 HIS A 46 -7.759 -2.837 -9.710 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -9.609 -4.987 -6.627 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -10.021 -3.577 -10.607 1.00 0.00 H new ATOM 678 N LYS A 47 -4.230 -4.306 -8.204 1.00 0.00 N ATOM 679 CA LYS A 47 -3.320 -4.476 -9.332 1.00 0.00 C ATOM 680 C LYS A 47 -2.808 -5.911 -9.406 1.00 0.00 C ATOM 681 O LYS A 47 -2.759 -6.508 -10.482 1.00 0.00 O ATOM 682 CB LYS A 47 -2.141 -3.508 -9.212 1.00 0.00 C ATOM 683 CG LYS A 47 -1.425 -3.255 -10.528 1.00 0.00 C ATOM 684 CD LYS A 47 -2.167 -2.238 -11.380 1.00 0.00 C ATOM 685 CE LYS A 47 -1.227 -1.522 -12.337 1.00 0.00 C ATOM 686 NZ LYS A 47 -1.955 -0.567 -13.218 1.00 0.00 N ATOM 0 H LYS A 47 -3.964 -3.565 -7.555 1.00 0.00 H new ATOM 0 HA LYS A 47 -3.870 -4.258 -10.247 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -2.500 -2.559 -8.815 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -1.427 -3.906 -8.490 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -0.414 -2.897 -10.331 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -1.330 -4.192 -11.078 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -2.952 -2.739 -11.946 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -2.656 -1.508 -10.735 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -0.469 -0.985 -11.767 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -0.705 -2.256 -12.950 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -1.633 -0.686 -14.200 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -2.977 -0.754 -13.164 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -1.765 0.407 -12.906 1.00 0.00 H new ATOM 700 N HIS A 48 -2.428 -6.459 -8.257 1.00 0.00 N ATOM 701 CA HIS A 48 -1.921 -7.825 -8.192 1.00 0.00 C ATOM 702 C HIS A 48 -3.064 -8.833 -8.265 1.00 0.00 C ATOM 703 O HIS A 48 -3.007 -9.797 -9.027 1.00 0.00 O ATOM 704 CB HIS A 48 -1.122 -8.035 -6.905 1.00 0.00 C ATOM 705 CG HIS A 48 -0.125 -6.950 -6.635 1.00 0.00 C ATOM 706 ND1 HIS A 48 0.069 -6.179 -5.541 1.00 0.00 N flip ATOM 707 CD2 HIS A 48 0.820 -6.550 -7.557 1.00 0.00 C flip ATOM 708 CE1 HIS A 48 1.118 -5.336 -5.816 1.00 0.00 C flip ATOM 709 NE2 HIS A 48 1.553 -5.581 -7.039 1.00 0.00 N flip ATOM 0 H HIS A 48 -2.461 -5.978 -7.358 1.00 0.00 H new ATOM 0 HA HIS A 48 -1.265 -7.983 -9.048 1.00 0.00 H new ATOM 0 HB2 HIS A 48 -1.813 -8.099 -6.065 1.00 0.00 H new ATOM 0 HB3 HIS A 48 -0.600 -8.990 -6.963 1.00 0.00 H new ATOM 0 HD1 HIS A 48 -0.465 -6.217 -4.673 1.00 0.00 H new ATOM 0 HD2 HIS A 48 0.941 -6.964 -8.547 1.00 0.00 H new ATOM 0 HE1 HIS A 48 1.521 -4.594 -5.143 1.00 0.00 H new ATOM 718 N ARG A 49 -4.101 -8.602 -7.466 1.00 0.00 N ATOM 719 CA ARG A 49 -5.258 -9.491 -7.438 1.00 0.00 C ATOM 720 C ARG A 49 -6.556 -8.697 -7.549 1.00 0.00 C ATOM 721 O ARG A 49 -7.149 -8.287 -6.552 1.00 0.00 O ATOM 722 CB ARG A 49 -5.261 -10.318 -6.151 1.00 0.00 C ATOM 723 CG ARG A 49 -4.030 -11.194 -5.987 1.00 0.00 C ATOM 724 CD ARG A 49 -4.041 -12.359 -6.966 1.00 0.00 C ATOM 725 NE ARG A 49 -5.172 -13.253 -6.739 1.00 0.00 N ATOM 726 CZ ARG A 49 -5.396 -14.351 -7.455 1.00 0.00 C ATOM 727 NH1 ARG A 49 -4.571 -14.686 -8.436 1.00 0.00 N ATOM 728 NH2 ARG A 49 -6.449 -15.114 -7.188 1.00 0.00 N ATOM 0 H ARG A 49 -4.164 -7.807 -6.830 1.00 0.00 H new ATOM 0 HA ARG A 49 -5.190 -10.163 -8.293 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -5.334 -9.645 -5.297 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -6.150 -10.949 -6.137 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -3.133 -10.595 -6.142 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -3.986 -11.575 -4.967 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -4.081 -11.975 -7.986 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -3.111 -12.920 -6.873 1.00 0.00 H new ATOM 0 HE ARG A 49 -5.826 -13.023 -5.991 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -3.762 -14.101 -8.644 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -4.745 -15.529 -8.984 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -7.086 -14.858 -6.434 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -6.621 -15.956 -7.737 1.00 0.00 H new ATOM 742 N PRO A 50 -7.008 -8.476 -8.792 1.00 0.00 N ATOM 743 CA PRO A 50 -8.242 -7.729 -9.064 1.00 0.00 C ATOM 744 C PRO A 50 -9.489 -8.498 -8.641 1.00 0.00 C ATOM 745 O PRO A 50 -10.613 -8.052 -8.872 1.00 0.00 O ATOM 746 CB PRO A 50 -8.217 -7.545 -10.583 1.00 0.00 C ATOM 747 CG PRO A 50 -7.387 -8.674 -11.089 1.00 0.00 C ATOM 748 CD PRO A 50 -6.353 -8.935 -10.028 1.00 0.00 C ATOM 0 HA PRO A 50 -8.283 -6.792 -8.508 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -9.223 -7.575 -11.002 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -7.786 -6.582 -10.858 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -7.998 -9.559 -11.265 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -6.916 -8.418 -12.038 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -6.090 -9.991 -9.975 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -5.431 -8.386 -10.222 1.00 0.00 H new ATOM 756 N ASP A 51 -9.284 -9.654 -8.020 1.00 0.00 N ATOM 757 CA ASP A 51 -10.392 -10.484 -7.563 1.00 0.00 C ATOM 758 C ASP A 51 -10.705 -10.213 -6.095 1.00 0.00 C ATOM 759 O ASP A 51 -11.869 -10.115 -5.705 1.00 0.00 O ATOM 760 CB ASP A 51 -10.065 -11.965 -7.763 1.00 0.00 C ATOM 761 CG ASP A 51 -11.307 -12.810 -7.962 1.00 0.00 C ATOM 762 OD1 ASP A 51 -12.191 -12.786 -7.080 1.00 0.00 O ATOM 763 OD2 ASP A 51 -11.396 -13.496 -9.002 1.00 0.00 O ATOM 0 H ASP A 51 -8.360 -10.038 -7.821 1.00 0.00 H new ATOM 0 HA ASP A 51 -11.271 -10.231 -8.156 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -9.411 -12.076 -8.628 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -9.514 -12.333 -6.897 1.00 0.00 H new ATOM 768 N LEU A 52 -9.659 -10.094 -5.285 1.00 0.00 N ATOM 769 CA LEU A 52 -9.821 -9.836 -3.858 1.00 0.00 C ATOM 770 C LEU A 52 -10.891 -8.777 -3.615 1.00 0.00 C ATOM 771 O LEU A 52 -11.947 -9.065 -3.048 1.00 0.00 O ATOM 772 CB LEU A 52 -8.493 -9.384 -3.247 1.00 0.00 C ATOM 773 CG LEU A 52 -7.314 -10.343 -3.420 1.00 0.00 C ATOM 774 CD1 LEU A 52 -6.103 -9.845 -2.645 1.00 0.00 C ATOM 775 CD2 LEU A 52 -7.697 -11.745 -2.971 1.00 0.00 C ATOM 0 H LEU A 52 -8.689 -10.172 -5.592 1.00 0.00 H new ATOM 0 HA LEU A 52 -10.137 -10.763 -3.380 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -8.222 -8.424 -3.686 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -8.645 -9.215 -2.181 1.00 0.00 H new ATOM 0 HG LEU A 52 -7.053 -10.381 -4.478 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -5.274 -10.540 -2.780 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -5.815 -8.860 -3.013 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -6.351 -9.778 -1.586 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -6.846 -12.414 -3.101 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -7.985 -11.724 -1.920 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -8.535 -12.103 -3.570 1.00 0.00 H new ATOM 787 N LEU A 53 -10.615 -7.553 -4.050 1.00 0.00 N ATOM 788 CA LEU A 53 -11.557 -6.451 -3.881 1.00 0.00 C ATOM 789 C LEU A 53 -11.984 -5.889 -5.232 1.00 0.00 C ATOM 790 O LEU A 53 -11.600 -6.408 -6.281 1.00 0.00 O ATOM 791 CB LEU A 53 -10.929 -5.345 -3.031 1.00 0.00 C ATOM 792 CG LEU A 53 -9.662 -4.701 -3.595 1.00 0.00 C ATOM 793 CD1 LEU A 53 -9.459 -3.314 -3.005 1.00 0.00 C ATOM 794 CD2 LEU A 53 -8.451 -5.580 -3.325 1.00 0.00 C ATOM 0 H LEU A 53 -9.748 -7.298 -4.522 1.00 0.00 H new ATOM 0 HA LEU A 53 -12.441 -6.835 -3.372 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -11.674 -4.563 -2.881 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -10.697 -5.757 -2.049 1.00 0.00 H new ATOM 0 HG LEU A 53 -9.779 -4.600 -4.674 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -8.552 -2.872 -3.418 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -10.314 -2.685 -3.251 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -9.364 -3.390 -1.922 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -7.559 -5.106 -3.734 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -8.331 -5.714 -2.250 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -8.594 -6.552 -3.798 1.00 0.00 H new ATOM 806 N ASP A 54 -12.778 -4.825 -5.201 1.00 0.00 N ATOM 807 CA ASP A 54 -13.255 -4.189 -6.423 1.00 0.00 C ATOM 808 C ASP A 54 -13.116 -2.672 -6.338 1.00 0.00 C ATOM 809 O ASP A 54 -13.996 -1.986 -5.817 1.00 0.00 O ATOM 810 CB ASP A 54 -14.714 -4.566 -6.684 1.00 0.00 C ATOM 811 CG ASP A 54 -14.864 -5.990 -7.181 1.00 0.00 C ATOM 812 OD1 ASP A 54 -14.140 -6.370 -8.125 1.00 0.00 O ATOM 813 OD2 ASP A 54 -15.705 -6.727 -6.624 1.00 0.00 O ATOM 0 H ASP A 54 -13.105 -4.384 -4.341 1.00 0.00 H new ATOM 0 HA ASP A 54 -12.642 -4.546 -7.251 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -15.288 -4.442 -5.766 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -15.137 -3.881 -7.419 1.00 0.00 H new ATOM 818 N PHE A 55 -12.005 -2.155 -6.852 1.00 0.00 N ATOM 819 CA PHE A 55 -11.750 -0.719 -6.831 1.00 0.00 C ATOM 820 C PHE A 55 -13.010 0.062 -7.193 1.00 0.00 C ATOM 821 O PHE A 55 -13.325 1.074 -6.567 1.00 0.00 O ATOM 822 CB PHE A 55 -10.622 -0.366 -7.803 1.00 0.00 C ATOM 823 CG PHE A 55 -9.836 0.847 -7.394 1.00 0.00 C ATOM 824 CD1 PHE A 55 -9.020 0.815 -6.275 1.00 0.00 C ATOM 825 CD2 PHE A 55 -9.913 2.018 -8.130 1.00 0.00 C ATOM 826 CE1 PHE A 55 -8.295 1.930 -5.896 1.00 0.00 C ATOM 827 CE2 PHE A 55 -9.191 3.136 -7.756 1.00 0.00 C ATOM 828 CZ PHE A 55 -8.382 3.092 -6.637 1.00 0.00 C ATOM 0 H PHE A 55 -11.267 -2.708 -7.288 1.00 0.00 H new ATOM 0 HA PHE A 55 -11.450 -0.443 -5.820 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -9.945 -1.217 -7.886 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -11.046 -0.198 -8.793 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -8.949 -0.091 -5.692 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -10.544 2.058 -9.006 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -7.662 1.892 -5.022 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -9.259 4.043 -8.338 1.00 0.00 H new ATOM 0 HZ PHE A 55 -7.819 3.965 -6.342 1.00 0.00 H new ATOM 838 N GLU A 56 -13.725 -0.415 -8.207 1.00 0.00 N ATOM 839 CA GLU A 56 -14.949 0.240 -8.653 1.00 0.00 C ATOM 840 C GLU A 56 -16.014 0.204 -7.560 1.00 0.00 C ATOM 841 O GLU A 56 -16.814 1.129 -7.428 1.00 0.00 O ATOM 842 CB GLU A 56 -15.481 -0.431 -9.920 1.00 0.00 C ATOM 843 CG GLU A 56 -15.743 -1.919 -9.757 1.00 0.00 C ATOM 844 CD GLU A 56 -16.836 -2.424 -10.678 1.00 0.00 C ATOM 845 OE1 GLU A 56 -16.577 -2.552 -11.892 1.00 0.00 O ATOM 846 OE2 GLU A 56 -17.951 -2.691 -10.183 1.00 0.00 O ATOM 0 H GLU A 56 -13.478 -1.252 -8.735 1.00 0.00 H new ATOM 0 HA GLU A 56 -14.714 1.281 -8.874 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -16.406 0.061 -10.221 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -14.764 -0.283 -10.728 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -14.823 -2.470 -9.955 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -16.021 -2.124 -8.723 1.00 0.00 H new ATOM 853 N SER A 57 -16.016 -0.871 -6.779 1.00 0.00 N ATOM 854 CA SER A 57 -16.984 -1.031 -5.700 1.00 0.00 C ATOM 855 C SER A 57 -16.697 -0.055 -4.564 1.00 0.00 C ATOM 856 O SER A 57 -17.599 0.619 -4.065 1.00 0.00 O ATOM 857 CB SER A 57 -16.959 -2.467 -5.174 1.00 0.00 C ATOM 858 OG SER A 57 -17.759 -2.597 -4.010 1.00 0.00 O ATOM 0 H SER A 57 -15.358 -1.645 -6.873 1.00 0.00 H new ATOM 0 HA SER A 57 -17.975 -0.815 -6.098 1.00 0.00 H new ATOM 0 HB2 SER A 57 -17.320 -3.147 -5.946 1.00 0.00 H new ATOM 0 HB3 SER A 57 -15.933 -2.757 -4.948 1.00 0.00 H new ATOM 0 HG SER A 57 -17.728 -3.524 -3.694 1.00 0.00 H new ATOM 864 N LEU A 58 -15.434 0.014 -4.158 1.00 0.00 N ATOM 865 CA LEU A 58 -15.026 0.908 -3.079 1.00 0.00 C ATOM 866 C LEU A 58 -15.748 2.248 -3.178 1.00 0.00 C ATOM 867 O LEU A 58 -16.139 2.676 -4.264 1.00 0.00 O ATOM 868 CB LEU A 58 -13.512 1.128 -3.118 1.00 0.00 C ATOM 869 CG LEU A 58 -12.649 -0.132 -3.032 1.00 0.00 C ATOM 870 CD1 LEU A 58 -11.174 0.222 -3.153 1.00 0.00 C ATOM 871 CD2 LEU A 58 -12.916 -0.874 -1.731 1.00 0.00 C ATOM 0 H LEU A 58 -14.675 -0.537 -4.559 1.00 0.00 H new ATOM 0 HA LEU A 58 -15.296 0.440 -2.132 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -13.265 1.652 -4.041 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -13.239 1.788 -2.295 1.00 0.00 H new ATOM 0 HG LEU A 58 -12.914 -0.788 -3.862 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -10.575 -0.687 -3.090 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -10.994 0.709 -4.111 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -10.894 0.898 -2.345 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -12.293 -1.768 -1.687 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -12.680 -0.226 -0.887 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -13.966 -1.161 -1.685 1.00 0.00 H new ATOM 883 N LYS A 59 -15.920 2.908 -2.038 1.00 0.00 N ATOM 884 CA LYS A 59 -16.592 4.201 -1.996 1.00 0.00 C ATOM 885 C LYS A 59 -15.580 5.336 -1.875 1.00 0.00 C ATOM 886 O LYS A 59 -14.801 5.389 -0.923 1.00 0.00 O ATOM 887 CB LYS A 59 -17.573 4.251 -0.822 1.00 0.00 C ATOM 888 CG LYS A 59 -18.774 5.146 -1.071 1.00 0.00 C ATOM 889 CD LYS A 59 -19.965 4.731 -0.223 1.00 0.00 C ATOM 890 CE LYS A 59 -20.832 3.709 -0.942 1.00 0.00 C ATOM 891 NZ LYS A 59 -20.399 2.313 -0.654 1.00 0.00 N ATOM 0 H LYS A 59 -15.603 2.568 -1.130 1.00 0.00 H new ATOM 0 HA LYS A 59 -17.143 4.327 -2.928 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -17.922 3.241 -0.607 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -17.047 4.602 0.066 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -18.511 6.180 -0.848 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -19.046 5.106 -2.126 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -19.613 4.312 0.720 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -20.563 5.609 0.021 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -21.871 3.837 -0.639 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -20.789 3.888 -2.016 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -21.194 1.663 -0.816 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -19.610 2.058 -1.282 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -20.090 2.243 0.337 1.00 0.00 H new ATOM 905 N LYS A 60 -15.598 6.244 -2.846 1.00 0.00 N ATOM 906 CA LYS A 60 -14.683 7.380 -2.848 1.00 0.00 C ATOM 907 C LYS A 60 -15.205 8.499 -1.952 1.00 0.00 C ATOM 908 O LYS A 60 -15.197 9.669 -2.336 1.00 0.00 O ATOM 909 CB LYS A 60 -14.490 7.902 -4.274 1.00 0.00 C ATOM 910 CG LYS A 60 -13.458 7.123 -5.071 1.00 0.00 C ATOM 911 CD LYS A 60 -13.748 7.178 -6.561 1.00 0.00 C ATOM 912 CE LYS A 60 -12.679 6.452 -7.364 1.00 0.00 C ATOM 913 NZ LYS A 60 -12.656 4.994 -7.065 1.00 0.00 N ATOM 0 H LYS A 60 -16.236 6.215 -3.641 1.00 0.00 H new ATOM 0 HA LYS A 60 -13.723 7.043 -2.458 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -15.445 7.865 -4.798 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -14.190 8.949 -4.231 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -12.465 7.529 -4.877 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -13.448 6.085 -4.739 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -14.721 6.730 -6.760 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -13.804 8.218 -6.884 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -12.860 6.602 -8.428 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -11.703 6.884 -7.143 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -12.386 4.468 -7.921 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -11.966 4.805 -6.310 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -13.600 4.688 -6.755 1.00 0.00 H new ATOM 927 N CYS A 61 -15.656 8.133 -0.758 1.00 0.00 N ATOM 928 CA CYS A 61 -16.180 9.107 0.193 1.00 0.00 C ATOM 929 C CYS A 61 -15.610 8.868 1.587 1.00 0.00 C ATOM 930 O CYS A 61 -15.002 9.758 2.181 1.00 0.00 O ATOM 931 CB CYS A 61 -17.708 9.038 0.235 1.00 0.00 C ATOM 932 SG CYS A 61 -18.498 10.544 0.847 1.00 0.00 S ATOM 0 H CYS A 61 -15.670 7.169 -0.425 1.00 0.00 H new ATOM 0 HA CYS A 61 -15.877 10.100 -0.138 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -18.079 8.828 -0.768 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -18.006 8.202 0.867 1.00 0.00 H new ATOM 0 HG CYS A 61 -19.789 10.389 0.843 1.00 0.00 H new ATOM 938 N ASN A 62 -15.811 7.660 2.105 1.00 0.00 N ATOM 939 CA ASN A 62 -15.317 7.305 3.430 1.00 0.00 C ATOM 940 C ASN A 62 -13.891 6.769 3.354 1.00 0.00 C ATOM 941 O ASN A 62 -13.598 5.865 2.573 1.00 0.00 O ATOM 942 CB ASN A 62 -16.232 6.262 4.074 1.00 0.00 C ATOM 943 CG ASN A 62 -16.181 6.305 5.589 1.00 0.00 C ATOM 944 OD1 ASN A 62 -16.005 5.144 6.209 1.00 0.00 O flip ATOM 945 ND2 ASN A 62 -16.299 7.370 6.195 1.00 0.00 N flip ATOM 0 H ASN A 62 -16.312 6.911 1.627 1.00 0.00 H new ATOM 0 HA ASN A 62 -15.315 8.206 4.043 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -17.257 6.428 3.743 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -15.943 5.268 3.731 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -16.433 8.239 5.678 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -16.263 7.383 7.214 1.00 0.00 H new ATOM 952 N ALA A 63 -13.008 7.333 4.172 1.00 0.00 N ATOM 953 CA ALA A 63 -11.613 6.910 4.199 1.00 0.00 C ATOM 954 C ALA A 63 -11.417 5.728 5.142 1.00 0.00 C ATOM 955 O ALA A 63 -10.612 4.834 4.874 1.00 0.00 O ATOM 956 CB ALA A 63 -10.718 8.071 4.612 1.00 0.00 C ATOM 0 H ALA A 63 -13.234 8.084 4.825 1.00 0.00 H new ATOM 0 HA ALA A 63 -11.336 6.590 3.195 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -9.679 7.742 4.628 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -10.829 8.888 3.898 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -11.005 8.416 5.605 1.00 0.00 H new ATOM 962 N HIS A 64 -12.155 5.728 6.247 1.00 0.00 N ATOM 963 CA HIS A 64 -12.062 4.654 7.229 1.00 0.00 C ATOM 964 C HIS A 64 -12.418 3.311 6.601 1.00 0.00 C ATOM 965 O HIS A 64 -11.704 2.322 6.778 1.00 0.00 O ATOM 966 CB HIS A 64 -12.986 4.937 8.415 1.00 0.00 C ATOM 967 CG HIS A 64 -12.852 3.944 9.528 1.00 0.00 C ATOM 968 ND1 HIS A 64 -11.675 3.735 10.214 1.00 0.00 N ATOM 969 CD2 HIS A 64 -13.759 3.099 10.074 1.00 0.00 C ATOM 970 CE1 HIS A 64 -11.863 2.805 11.134 1.00 0.00 C ATOM 971 NE2 HIS A 64 -13.120 2.403 11.069 1.00 0.00 N ATOM 0 H HIS A 64 -12.824 6.460 6.485 1.00 0.00 H new ATOM 0 HA HIS A 64 -11.032 4.608 7.583 1.00 0.00 H new ATOM 0 HB2 HIS A 64 -12.773 5.934 8.801 1.00 0.00 H new ATOM 0 HB3 HIS A 64 -14.019 4.943 8.067 1.00 0.00 H new ATOM 0 HD1 HIS A 64 -10.796 4.222 10.039 1.00 0.00 H new ATOM 0 HD2 HIS A 64 -14.793 2.993 9.781 1.00 0.00 H new ATOM 0 HE1 HIS A 64 -11.116 2.436 11.822 1.00 0.00 H new ATOM 980 N TYR A 65 -13.525 3.281 5.868 1.00 0.00 N ATOM 981 CA TYR A 65 -13.977 2.057 5.216 1.00 0.00 C ATOM 982 C TYR A 65 -12.981 1.606 4.152 1.00 0.00 C ATOM 983 O TYR A 65 -12.625 0.431 4.077 1.00 0.00 O ATOM 984 CB TYR A 65 -15.353 2.271 4.584 1.00 0.00 C ATOM 985 CG TYR A 65 -15.793 1.131 3.693 1.00 0.00 C ATOM 986 CD1 TYR A 65 -15.393 1.069 2.363 1.00 0.00 C ATOM 987 CD2 TYR A 65 -16.607 0.115 4.180 1.00 0.00 C ATOM 988 CE1 TYR A 65 -15.794 0.030 1.546 1.00 0.00 C ATOM 989 CE2 TYR A 65 -17.011 -0.928 3.370 1.00 0.00 C ATOM 990 CZ TYR A 65 -16.602 -0.966 2.053 1.00 0.00 C ATOM 991 OH TYR A 65 -17.002 -2.004 1.242 1.00 0.00 O ATOM 0 H TYR A 65 -14.126 4.090 5.710 1.00 0.00 H new ATOM 0 HA TYR A 65 -14.049 1.277 5.974 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -16.090 2.408 5.375 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -15.337 3.192 4.001 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -14.759 1.846 1.962 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -16.929 0.142 5.210 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -15.476 -0.002 0.514 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -17.643 -1.709 3.765 1.00 0.00 H new ATOM 0 HH TYR A 65 -17.566 -2.621 1.754 1.00 0.00 H new ATOM 1001 N ASN A 66 -12.533 2.550 3.331 1.00 0.00 N ATOM 1002 CA ASN A 66 -11.578 2.253 2.271 1.00 0.00 C ATOM 1003 C ASN A 66 -10.278 1.700 2.850 1.00 0.00 C ATOM 1004 O ASN A 66 -9.637 0.836 2.250 1.00 0.00 O ATOM 1005 CB ASN A 66 -11.289 3.509 1.448 1.00 0.00 C ATOM 1006 CG ASN A 66 -12.415 3.845 0.490 1.00 0.00 C ATOM 1007 OD1 ASN A 66 -13.406 3.119 0.401 1.00 0.00 O ATOM 1008 ND2 ASN A 66 -12.268 4.949 -0.233 1.00 0.00 N ATOM 0 H ASN A 66 -12.817 3.528 3.380 1.00 0.00 H new ATOM 0 HA ASN A 66 -12.018 1.496 1.622 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -11.125 4.351 2.121 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -10.367 3.367 0.885 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -12.993 5.225 -0.895 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -11.430 5.521 -0.126 1.00 0.00 H new ATOM 1015 N LEU A 67 -9.896 2.204 4.018 1.00 0.00 N ATOM 1016 CA LEU A 67 -8.674 1.760 4.679 1.00 0.00 C ATOM 1017 C LEU A 67 -8.839 0.352 5.242 1.00 0.00 C ATOM 1018 O LEU A 67 -8.236 -0.600 4.745 1.00 0.00 O ATOM 1019 CB LEU A 67 -8.297 2.729 5.801 1.00 0.00 C ATOM 1020 CG LEU A 67 -7.577 4.008 5.371 1.00 0.00 C ATOM 1021 CD1 LEU A 67 -7.731 5.089 6.428 1.00 0.00 C ATOM 1022 CD2 LEU A 67 -6.105 3.727 5.103 1.00 0.00 C ATOM 0 H LEU A 67 -10.415 2.920 4.527 1.00 0.00 H new ATOM 0 HA LEU A 67 -7.875 1.743 3.938 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -9.206 3.009 6.332 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -7.662 2.200 6.512 1.00 0.00 H new ATOM 0 HG LEU A 67 -8.032 4.365 4.447 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -7.212 5.991 6.104 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -8.789 5.310 6.571 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -7.303 4.742 7.368 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -5.608 4.648 4.798 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -5.636 3.345 6.010 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -6.015 2.986 4.309 1.00 0.00 H new ATOM 1034 N GLN A 68 -9.660 0.228 6.279 1.00 0.00 N ATOM 1035 CA GLN A 68 -9.905 -1.065 6.908 1.00 0.00 C ATOM 1036 C GLN A 68 -10.060 -2.161 5.858 1.00 0.00 C ATOM 1037 O GLN A 68 -9.608 -3.288 6.052 1.00 0.00 O ATOM 1038 CB GLN A 68 -11.157 -1.000 7.784 1.00 0.00 C ATOM 1039 CG GLN A 68 -12.454 -1.005 6.992 1.00 0.00 C ATOM 1040 CD GLN A 68 -13.586 -0.306 7.721 1.00 0.00 C ATOM 1041 OE1 GLN A 68 -13.355 0.488 8.631 1.00 0.00 O ATOM 1042 NE2 GLN A 68 -14.818 -0.600 7.321 1.00 0.00 N ATOM 0 H GLN A 68 -10.167 1.006 6.702 1.00 0.00 H new ATOM 0 HA GLN A 68 -9.045 -1.306 7.533 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -11.156 -1.848 8.469 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -11.117 -0.098 8.394 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -12.290 -0.518 6.031 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -12.743 -2.035 6.782 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -14.962 -1.265 6.561 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -15.620 -0.161 7.773 1.00 0.00 H new ATOM 1051 N ASN A 69 -10.704 -1.821 4.747 1.00 0.00 N ATOM 1052 CA ASN A 69 -10.921 -2.776 3.666 1.00 0.00 C ATOM 1053 C ASN A 69 -9.613 -3.459 3.275 1.00 0.00 C ATOM 1054 O ASN A 69 -9.478 -4.677 3.395 1.00 0.00 O ATOM 1055 CB ASN A 69 -11.526 -2.073 2.449 1.00 0.00 C ATOM 1056 CG ASN A 69 -12.301 -3.024 1.558 1.00 0.00 C ATOM 1057 OD1 ASN A 69 -13.398 -3.461 1.905 1.00 0.00 O ATOM 1058 ND2 ASN A 69 -11.732 -3.350 0.404 1.00 0.00 N ATOM 0 H ASN A 69 -11.085 -0.891 4.571 1.00 0.00 H new ATOM 0 HA ASN A 69 -11.617 -3.536 4.020 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -12.187 -1.275 2.786 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -10.730 -1.605 1.870 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -12.206 -3.987 -0.236 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -10.821 -2.963 0.157 1.00 0.00 H new ATOM 1065 N ALA A 70 -8.654 -2.667 2.806 1.00 0.00 N ATOM 1066 CA ALA A 70 -7.358 -3.195 2.400 1.00 0.00 C ATOM 1067 C ALA A 70 -6.597 -3.759 3.595 1.00 0.00 C ATOM 1068 O ALA A 70 -5.973 -4.817 3.502 1.00 0.00 O ATOM 1069 CB ALA A 70 -6.540 -2.111 1.713 1.00 0.00 C ATOM 0 H ALA A 70 -8.751 -1.657 2.698 1.00 0.00 H new ATOM 0 HA ALA A 70 -7.528 -4.009 1.695 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -5.574 -2.518 1.415 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -7.073 -1.757 0.830 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -6.386 -1.280 2.401 1.00 0.00 H new ATOM 1075 N PHE A 71 -6.651 -3.047 4.714 1.00 0.00 N ATOM 1076 CA PHE A 71 -5.964 -3.477 5.927 1.00 0.00 C ATOM 1077 C PHE A 71 -6.234 -4.951 6.212 1.00 0.00 C ATOM 1078 O PHE A 71 -5.306 -5.745 6.363 1.00 0.00 O ATOM 1079 CB PHE A 71 -6.409 -2.627 7.119 1.00 0.00 C ATOM 1080 CG PHE A 71 -5.655 -1.333 7.248 1.00 0.00 C ATOM 1081 CD1 PHE A 71 -5.329 -0.591 6.124 1.00 0.00 C ATOM 1082 CD2 PHE A 71 -5.272 -0.860 8.492 1.00 0.00 C ATOM 1083 CE1 PHE A 71 -4.635 0.598 6.240 1.00 0.00 C ATOM 1084 CE2 PHE A 71 -4.579 0.329 8.614 1.00 0.00 C ATOM 1085 CZ PHE A 71 -4.261 1.060 7.486 1.00 0.00 C ATOM 0 H PHE A 71 -7.163 -2.170 4.807 1.00 0.00 H new ATOM 0 HA PHE A 71 -4.893 -3.345 5.774 1.00 0.00 H new ATOM 0 HB2 PHE A 71 -7.473 -2.410 7.023 1.00 0.00 H new ATOM 0 HB3 PHE A 71 -6.282 -3.205 8.035 1.00 0.00 H new ATOM 0 HD1 PHE A 71 -5.621 -0.946 5.147 1.00 0.00 H new ATOM 0 HD2 PHE A 71 -5.518 -1.427 9.377 1.00 0.00 H new ATOM 0 HE1 PHE A 71 -4.385 1.166 5.356 1.00 0.00 H new ATOM 0 HE2 PHE A 71 -4.286 0.686 9.590 1.00 0.00 H new ATOM 0 HZ PHE A 71 -3.721 1.991 7.579 1.00 0.00 H new ATOM 1095 N ASN A 72 -7.511 -5.310 6.282 1.00 0.00 N ATOM 1096 CA ASN A 72 -7.904 -6.689 6.550 1.00 0.00 C ATOM 1097 C ASN A 72 -7.500 -7.602 5.397 1.00 0.00 C ATOM 1098 O ASN A 72 -6.708 -8.529 5.573 1.00 0.00 O ATOM 1099 CB ASN A 72 -9.414 -6.776 6.780 1.00 0.00 C ATOM 1100 CG ASN A 72 -9.881 -5.871 7.904 1.00 0.00 C ATOM 1101 OD1 ASN A 72 -10.728 -4.903 7.571 1.00 0.00 O flip ATOM 1102 ND2 ASN A 72 -9.485 -6.042 9.057 1.00 0.00 N flip ATOM 0 H ASN A 72 -8.292 -4.666 6.157 1.00 0.00 H new ATOM 0 HA ASN A 72 -7.387 -7.020 7.451 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -9.935 -6.507 5.861 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -9.685 -7.806 7.010 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -8.834 -6.799 9.266 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -9.808 -5.427 9.804 1.00 0.00 H new ATOM 1109 N LEU A 73 -8.049 -7.335 4.217 1.00 0.00 N ATOM 1110 CA LEU A 73 -7.745 -8.133 3.034 1.00 0.00 C ATOM 1111 C LEU A 73 -6.276 -8.542 3.014 1.00 0.00 C ATOM 1112 O LEU A 73 -5.951 -9.712 2.822 1.00 0.00 O ATOM 1113 CB LEU A 73 -8.085 -7.348 1.766 1.00 0.00 C ATOM 1114 CG LEU A 73 -9.511 -7.509 1.237 1.00 0.00 C ATOM 1115 CD1 LEU A 73 -9.705 -6.699 -0.035 1.00 0.00 C ATOM 1116 CD2 LEU A 73 -9.825 -8.977 0.991 1.00 0.00 C ATOM 0 H LEU A 73 -8.707 -6.573 4.054 1.00 0.00 H new ATOM 0 HA LEU A 73 -8.353 -9.037 3.070 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -7.908 -6.290 1.960 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -7.392 -7.648 0.980 1.00 0.00 H new ATOM 0 HG LEU A 73 -10.202 -7.131 1.991 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -10.726 -6.827 -0.396 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -9.523 -5.645 0.174 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -9.005 -7.044 -0.796 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -10.844 -9.073 0.615 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -9.127 -9.380 0.257 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -9.729 -9.531 1.925 1.00 0.00 H new ATOM 1128 N ALA A 74 -5.395 -7.568 3.216 1.00 0.00 N ATOM 1129 CA ALA A 74 -3.959 -7.828 3.227 1.00 0.00 C ATOM 1130 C ALA A 74 -3.568 -8.701 4.414 1.00 0.00 C ATOM 1131 O ALA A 74 -2.678 -9.545 4.309 1.00 0.00 O ATOM 1132 CB ALA A 74 -3.186 -6.518 3.254 1.00 0.00 C ATOM 0 H ALA A 74 -5.649 -6.593 3.374 1.00 0.00 H new ATOM 0 HA ALA A 74 -3.705 -8.368 2.315 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -2.116 -6.727 3.262 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -3.434 -5.931 2.370 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -3.453 -5.957 4.149 1.00 0.00 H new ATOM 1138 N GLU A 75 -4.237 -8.490 5.543 1.00 0.00 N ATOM 1139 CA GLU A 75 -3.957 -9.258 6.751 1.00 0.00 C ATOM 1140 C GLU A 75 -4.416 -10.705 6.595 1.00 0.00 C ATOM 1141 O GLU A 75 -3.998 -11.586 7.346 1.00 0.00 O ATOM 1142 CB GLU A 75 -4.645 -8.621 7.959 1.00 0.00 C ATOM 1143 CG GLU A 75 -4.188 -9.190 9.291 1.00 0.00 C ATOM 1144 CD GLU A 75 -5.276 -9.149 10.347 1.00 0.00 C ATOM 1145 OE1 GLU A 75 -6.302 -8.476 10.115 1.00 0.00 O ATOM 1146 OE2 GLU A 75 -5.101 -9.790 11.404 1.00 0.00 O ATOM 0 H GLU A 75 -4.976 -7.795 5.647 1.00 0.00 H new ATOM 0 HA GLU A 75 -2.879 -9.252 6.912 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -4.457 -7.547 7.949 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -5.722 -8.757 7.866 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -3.863 -10.221 9.149 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -3.323 -8.629 9.644 1.00 0.00 H new ATOM 1153 N LYS A 76 -5.280 -10.943 5.614 1.00 0.00 N ATOM 1154 CA LYS A 76 -5.796 -12.282 5.357 1.00 0.00 C ATOM 1155 C LYS A 76 -5.129 -12.896 4.130 1.00 0.00 C ATOM 1156 O LYS A 76 -4.366 -13.856 4.244 1.00 0.00 O ATOM 1157 CB LYS A 76 -7.313 -12.235 5.155 1.00 0.00 C ATOM 1158 CG LYS A 76 -7.997 -13.574 5.373 1.00 0.00 C ATOM 1159 CD LYS A 76 -9.467 -13.517 4.994 1.00 0.00 C ATOM 1160 CE LYS A 76 -9.680 -13.861 3.529 1.00 0.00 C ATOM 1161 NZ LYS A 76 -9.620 -12.654 2.660 1.00 0.00 N ATOM 0 H LYS A 76 -5.638 -10.225 4.984 1.00 0.00 H new ATOM 0 HA LYS A 76 -5.569 -12.905 6.222 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -7.740 -11.503 5.840 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -7.526 -11.888 4.144 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -7.497 -14.340 4.780 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -7.901 -13.867 6.419 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -10.031 -14.211 5.617 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -9.857 -12.519 5.195 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -8.921 -14.576 3.210 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -10.648 -14.348 3.408 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -10.536 -12.522 2.185 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -9.408 -11.818 3.241 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -8.874 -12.777 1.946 1.00 0.00 H new ATOM 1175 N GLU A 77 -5.421 -12.337 2.960 1.00 0.00 N ATOM 1176 CA GLU A 77 -4.847 -12.831 1.714 1.00 0.00 C ATOM 1177 C GLU A 77 -3.324 -12.873 1.795 1.00 0.00 C ATOM 1178 O GLU A 77 -2.721 -13.948 1.815 1.00 0.00 O ATOM 1179 CB GLU A 77 -5.281 -11.949 0.541 1.00 0.00 C ATOM 1180 CG GLU A 77 -6.737 -12.135 0.147 1.00 0.00 C ATOM 1181 CD GLU A 77 -7.053 -13.560 -0.265 1.00 0.00 C ATOM 1182 OE1 GLU A 77 -6.119 -14.276 -0.682 1.00 0.00 O ATOM 1183 OE2 GLU A 77 -8.233 -13.958 -0.171 1.00 0.00 O ATOM 0 H GLU A 77 -6.051 -11.543 2.849 1.00 0.00 H new ATOM 0 HA GLU A 77 -5.214 -13.845 1.553 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -5.114 -10.904 0.802 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -4.649 -12.167 -0.320 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -7.375 -11.853 0.985 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -6.976 -11.461 -0.676 1.00 0.00 H new ATOM 1190 N LEU A 78 -2.707 -11.698 1.841 1.00 0.00 N ATOM 1191 CA LEU A 78 -1.254 -11.599 1.920 1.00 0.00 C ATOM 1192 C LEU A 78 -0.735 -12.211 3.217 1.00 0.00 C ATOM 1193 O LEU A 78 0.248 -12.949 3.218 1.00 0.00 O ATOM 1194 CB LEU A 78 -0.816 -10.136 1.822 1.00 0.00 C ATOM 1195 CG LEU A 78 -1.480 -9.310 0.720 1.00 0.00 C ATOM 1196 CD1 LEU A 78 -1.212 -7.827 0.930 1.00 0.00 C ATOM 1197 CD2 LEU A 78 -0.990 -9.753 -0.650 1.00 0.00 C ATOM 0 H LEU A 78 -3.190 -10.800 1.825 1.00 0.00 H new ATOM 0 HA LEU A 78 -0.832 -12.155 1.083 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -1.013 -9.653 2.779 1.00 0.00 H new ATOM 0 HB3 LEU A 78 0.263 -10.110 1.668 1.00 0.00 H new ATOM 0 HG LEU A 78 -2.556 -9.475 0.768 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -1.692 -7.255 0.136 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -1.614 -7.518 1.895 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -0.138 -7.645 0.910 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -1.474 -9.153 -1.421 1.00 0.00 H new ATOM 0 HD22 LEU A 78 0.090 -9.619 -0.711 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -1.234 -10.804 -0.801 1.00 0.00 H new ATOM 1209 N GLY A 79 -1.407 -11.900 4.321 1.00 0.00 N ATOM 1210 CA GLY A 79 -1.000 -12.428 5.611 1.00 0.00 C ATOM 1211 C GLY A 79 0.009 -11.540 6.310 1.00 0.00 C ATOM 1212 O GLY A 79 0.985 -12.029 6.881 1.00 0.00 O ATOM 0 H GLY A 79 -2.226 -11.292 4.346 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -1.878 -12.544 6.246 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -0.572 -13.421 5.475 1.00 0.00 H new ATOM 1216 N LEU A 80 -0.222 -10.233 6.264 1.00 0.00 N ATOM 1217 CA LEU A 80 0.676 -9.274 6.896 1.00 0.00 C ATOM 1218 C LEU A 80 0.170 -8.886 8.282 1.00 0.00 C ATOM 1219 O LEU A 80 -1.027 -8.955 8.559 1.00 0.00 O ATOM 1220 CB LEU A 80 0.817 -8.025 6.025 1.00 0.00 C ATOM 1221 CG LEU A 80 1.547 -8.214 4.694 1.00 0.00 C ATOM 1222 CD1 LEU A 80 1.084 -7.181 3.680 1.00 0.00 C ATOM 1223 CD2 LEU A 80 3.052 -8.129 4.895 1.00 0.00 C ATOM 0 H LEU A 80 -1.024 -9.813 5.795 1.00 0.00 H new ATOM 0 HA LEU A 80 1.653 -9.746 7.004 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -0.180 -7.636 5.818 1.00 0.00 H new ATOM 0 HB3 LEU A 80 1.343 -7.263 6.600 1.00 0.00 H new ATOM 0 HG LEU A 80 1.307 -9.205 4.308 1.00 0.00 H new ATOM 0 HD11 LEU A 80 1.614 -7.331 2.740 1.00 0.00 H new ATOM 0 HD12 LEU A 80 0.012 -7.289 3.514 1.00 0.00 H new ATOM 0 HD13 LEU A 80 1.293 -6.180 4.059 1.00 0.00 H new ATOM 0 HD21 LEU A 80 3.555 -8.266 3.938 1.00 0.00 H new ATOM 0 HD22 LEU A 80 3.310 -7.152 5.304 1.00 0.00 H new ATOM 0 HD23 LEU A 80 3.371 -8.908 5.587 1.00 0.00 H new ATOM 1235 N THR A 81 1.091 -8.476 9.149 1.00 0.00 N ATOM 1236 CA THR A 81 0.738 -8.076 10.505 1.00 0.00 C ATOM 1237 C THR A 81 0.312 -6.612 10.554 1.00 0.00 C ATOM 1238 O THR A 81 1.149 -5.710 10.529 1.00 0.00 O ATOM 1239 CB THR A 81 1.915 -8.288 11.477 1.00 0.00 C ATOM 1240 OG1 THR A 81 2.258 -9.677 11.535 1.00 0.00 O ATOM 1241 CG2 THR A 81 1.562 -7.788 12.870 1.00 0.00 C ATOM 0 H THR A 81 2.086 -8.412 8.936 1.00 0.00 H new ATOM 0 HA THR A 81 -0.097 -8.705 10.813 1.00 0.00 H new ATOM 0 HB THR A 81 2.769 -7.719 11.110 1.00 0.00 H new ATOM 0 HG1 THR A 81 3.008 -9.803 12.153 1.00 0.00 H new ATOM 0 HG21 THR A 81 2.408 -7.948 13.539 1.00 0.00 H new ATOM 0 HG22 THR A 81 1.330 -6.724 12.827 1.00 0.00 H new ATOM 0 HG23 THR A 81 0.695 -8.334 13.244 1.00 0.00 H new ATOM 1249 N LYS A 82 -0.995 -6.384 10.624 1.00 0.00 N ATOM 1250 CA LYS A 82 -1.534 -5.030 10.679 1.00 0.00 C ATOM 1251 C LYS A 82 -0.726 -4.161 11.636 1.00 0.00 C ATOM 1252 O LYS A 82 -0.850 -4.281 12.855 1.00 0.00 O ATOM 1253 CB LYS A 82 -3.000 -5.060 11.114 1.00 0.00 C ATOM 1254 CG LYS A 82 -3.977 -5.173 9.956 1.00 0.00 C ATOM 1255 CD LYS A 82 -5.342 -4.615 10.322 1.00 0.00 C ATOM 1256 CE LYS A 82 -6.034 -5.477 11.367 1.00 0.00 C ATOM 1257 NZ LYS A 82 -7.454 -5.072 11.567 1.00 0.00 N ATOM 0 H LYS A 82 -1.701 -7.120 10.644 1.00 0.00 H new ATOM 0 HA LYS A 82 -1.467 -4.598 9.680 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -3.152 -5.901 11.790 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -3.221 -4.154 11.678 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -3.583 -4.637 9.093 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -4.077 -6.218 9.663 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -5.231 -3.599 10.702 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -5.963 -4.555 9.428 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -5.994 -6.522 11.060 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -5.498 -5.402 12.313 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -7.976 -5.848 12.022 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -7.492 -4.228 12.173 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -7.887 -4.857 10.646 1.00 0.00 H new ATOM 1271 N LEU A 83 0.101 -3.285 11.077 1.00 0.00 N ATOM 1272 CA LEU A 83 0.930 -2.393 11.881 1.00 0.00 C ATOM 1273 C LEU A 83 0.157 -1.138 12.274 1.00 0.00 C ATOM 1274 O LEU A 83 0.229 -0.684 13.417 1.00 0.00 O ATOM 1275 CB LEU A 83 2.195 -2.008 11.113 1.00 0.00 C ATOM 1276 CG LEU A 83 2.988 -3.164 10.503 1.00 0.00 C ATOM 1277 CD1 LEU A 83 4.133 -2.636 9.651 1.00 0.00 C ATOM 1278 CD2 LEU A 83 3.515 -4.084 11.596 1.00 0.00 C ATOM 0 H LEU A 83 0.216 -3.173 10.070 1.00 0.00 H new ATOM 0 HA LEU A 83 1.213 -2.923 12.791 1.00 0.00 H new ATOM 0 HB2 LEU A 83 1.916 -1.323 10.312 1.00 0.00 H new ATOM 0 HB3 LEU A 83 2.852 -1.459 11.787 1.00 0.00 H new ATOM 0 HG LEU A 83 2.320 -3.739 9.861 1.00 0.00 H new ATOM 0 HD11 LEU A 83 4.686 -3.473 9.225 1.00 0.00 H new ATOM 0 HD12 LEU A 83 3.733 -2.019 8.847 1.00 0.00 H new ATOM 0 HD13 LEU A 83 4.801 -2.037 10.270 1.00 0.00 H new ATOM 0 HD21 LEU A 83 4.077 -4.901 11.144 1.00 0.00 H new ATOM 0 HD22 LEU A 83 4.167 -3.520 12.263 1.00 0.00 H new ATOM 0 HD23 LEU A 83 2.678 -4.490 12.165 1.00 0.00 H new ATOM 1290 N LEU A 84 -0.583 -0.583 11.319 1.00 0.00 N ATOM 1291 CA LEU A 84 -1.372 0.619 11.565 1.00 0.00 C ATOM 1292 C LEU A 84 -2.858 0.288 11.645 1.00 0.00 C ATOM 1293 O LEU A 84 -3.248 -0.879 11.595 1.00 0.00 O ATOM 1294 CB LEU A 84 -1.126 1.649 10.461 1.00 0.00 C ATOM 1295 CG LEU A 84 0.336 2.012 10.195 1.00 0.00 C ATOM 1296 CD1 LEU A 84 0.473 2.730 8.862 1.00 0.00 C ATOM 1297 CD2 LEU A 84 0.887 2.869 11.325 1.00 0.00 C ATOM 0 H LEU A 84 -0.653 -0.946 10.368 1.00 0.00 H new ATOM 0 HA LEU A 84 -1.060 1.039 12.521 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -1.560 1.270 9.535 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -1.665 2.561 10.716 1.00 0.00 H new ATOM 0 HG LEU A 84 0.917 1.091 10.149 1.00 0.00 H new ATOM 0 HD11 LEU A 84 1.520 2.981 8.690 1.00 0.00 H new ATOM 0 HD12 LEU A 84 0.118 2.081 8.061 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -0.121 3.644 8.878 1.00 0.00 H new ATOM 0 HD21 LEU A 84 1.928 3.118 11.119 1.00 0.00 H new ATOM 0 HD22 LEU A 84 0.304 3.786 11.404 1.00 0.00 H new ATOM 0 HD23 LEU A 84 0.825 2.318 12.263 1.00 0.00 H new ATOM 1309 N ASP A 85 -3.684 1.321 11.768 1.00 0.00 N ATOM 1310 CA ASP A 85 -5.129 1.140 11.852 1.00 0.00 C ATOM 1311 C ASP A 85 -5.851 2.093 10.904 1.00 0.00 C ATOM 1312 O ASP A 85 -5.345 3.158 10.549 1.00 0.00 O ATOM 1313 CB ASP A 85 -5.609 1.366 13.286 1.00 0.00 C ATOM 1314 CG ASP A 85 -5.278 0.201 14.198 1.00 0.00 C ATOM 1315 OD1 ASP A 85 -4.079 -0.121 14.337 1.00 0.00 O ATOM 1316 OD2 ASP A 85 -6.217 -0.388 14.773 1.00 0.00 O ATOM 0 H ASP A 85 -3.378 2.293 11.812 1.00 0.00 H new ATOM 0 HA ASP A 85 -5.361 0.117 11.556 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -5.152 2.274 13.680 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -6.687 1.527 13.284 1.00 0.00 H new ATOM 1321 N PRO A 86 -7.063 1.702 10.482 1.00 0.00 N ATOM 1322 CA PRO A 86 -7.880 2.506 9.570 1.00 0.00 C ATOM 1323 C PRO A 86 -8.411 3.773 10.230 1.00 0.00 C ATOM 1324 O PRO A 86 -9.057 4.598 9.585 1.00 0.00 O ATOM 1325 CB PRO A 86 -9.034 1.568 9.208 1.00 0.00 C ATOM 1326 CG PRO A 86 -9.131 0.626 10.357 1.00 0.00 C ATOM 1327 CD PRO A 86 -7.728 0.445 10.864 1.00 0.00 C ATOM 0 HA PRO A 86 -7.308 2.853 8.710 1.00 0.00 H new ATOM 0 HB2 PRO A 86 -9.964 2.120 9.069 1.00 0.00 H new ATOM 0 HB3 PRO A 86 -8.836 1.037 8.277 1.00 0.00 H new ATOM 0 HG2 PRO A 86 -9.779 1.027 11.137 1.00 0.00 H new ATOM 0 HG3 PRO A 86 -9.559 -0.327 10.045 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -7.707 0.291 11.943 1.00 0.00 H new ATOM 0 HD3 PRO A 86 -7.245 -0.420 10.409 1.00 0.00 H new ATOM 1335 N GLU A 87 -8.135 3.921 11.522 1.00 0.00 N ATOM 1336 CA GLU A 87 -8.586 5.089 12.271 1.00 0.00 C ATOM 1337 C GLU A 87 -7.408 5.984 12.646 1.00 0.00 C ATOM 1338 O GLU A 87 -7.529 7.209 12.671 1.00 0.00 O ATOM 1339 CB GLU A 87 -9.334 4.656 13.533 1.00 0.00 C ATOM 1340 CG GLU A 87 -8.517 3.757 14.445 1.00 0.00 C ATOM 1341 CD GLU A 87 -9.256 3.390 15.718 1.00 0.00 C ATOM 1342 OE1 GLU A 87 -10.246 2.634 15.631 1.00 0.00 O ATOM 1343 OE2 GLU A 87 -8.846 3.860 16.800 1.00 0.00 O ATOM 0 H GLU A 87 -7.602 3.247 12.072 1.00 0.00 H new ATOM 0 HA GLU A 87 -9.263 5.658 11.634 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -9.637 5.544 14.088 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -10.246 4.134 13.244 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -8.251 2.846 13.908 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -7.584 4.259 14.703 1.00 0.00 H new ATOM 1350 N ASP A 88 -6.271 5.362 12.935 1.00 0.00 N ATOM 1351 CA ASP A 88 -5.070 6.102 13.309 1.00 0.00 C ATOM 1352 C ASP A 88 -4.472 6.815 12.099 1.00 0.00 C ATOM 1353 O ASP A 88 -4.076 7.977 12.185 1.00 0.00 O ATOM 1354 CB ASP A 88 -4.034 5.157 13.922 1.00 0.00 C ATOM 1355 CG ASP A 88 -4.425 4.693 15.311 1.00 0.00 C ATOM 1356 OD1 ASP A 88 -4.792 5.551 16.141 1.00 0.00 O ATOM 1357 OD2 ASP A 88 -4.361 3.473 15.569 1.00 0.00 O ATOM 0 H ASP A 88 -6.155 4.349 12.918 1.00 0.00 H new ATOM 0 HA ASP A 88 -5.350 6.852 14.049 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -3.909 4.290 13.274 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -3.069 5.661 13.969 1.00 0.00 H new ATOM 1362 N VAL A 89 -4.412 6.111 10.974 1.00 0.00 N ATOM 1363 CA VAL A 89 -3.864 6.677 9.747 1.00 0.00 C ATOM 1364 C VAL A 89 -4.735 7.816 9.230 1.00 0.00 C ATOM 1365 O VAL A 89 -4.321 8.975 9.227 1.00 0.00 O ATOM 1366 CB VAL A 89 -3.731 5.607 8.646 1.00 0.00 C ATOM 1367 CG1 VAL A 89 -3.356 6.251 7.319 1.00 0.00 C ATOM 1368 CG2 VAL A 89 -2.707 4.555 9.046 1.00 0.00 C ATOM 0 H VAL A 89 -4.736 5.148 10.886 1.00 0.00 H new ATOM 0 HA VAL A 89 -2.874 7.062 9.991 1.00 0.00 H new ATOM 0 HB VAL A 89 -4.695 5.114 8.524 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -3.266 5.481 6.553 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -4.129 6.963 7.029 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -2.404 6.771 7.423 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -2.626 3.807 8.257 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -1.738 5.030 9.197 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -3.023 4.073 9.971 1.00 0.00 H new ATOM 1378 N ASN A 90 -5.944 7.480 8.794 1.00 0.00 N ATOM 1379 CA ASN A 90 -6.875 8.475 8.275 1.00 0.00 C ATOM 1380 C ASN A 90 -6.882 9.723 9.153 1.00 0.00 C ATOM 1381 O ASN A 90 -7.352 9.691 10.291 1.00 0.00 O ATOM 1382 CB ASN A 90 -8.285 7.889 8.188 1.00 0.00 C ATOM 1383 CG ASN A 90 -9.085 8.120 9.457 1.00 0.00 C ATOM 1384 OD1 ASN A 90 -8.854 7.469 10.476 1.00 0.00 O ATOM 1385 ND2 ASN A 90 -10.032 9.049 9.398 1.00 0.00 N ATOM 0 H ASN A 90 -6.303 6.525 8.790 1.00 0.00 H new ATOM 0 HA ASN A 90 -6.546 8.758 7.275 1.00 0.00 H new ATOM 0 HB2 ASN A 90 -8.810 8.336 7.344 1.00 0.00 H new ATOM 0 HB3 ASN A 90 -8.220 6.819 7.992 1.00 0.00 H new ATOM 0 HD21 ASN A 90 -10.603 9.248 10.219 1.00 0.00 H new ATOM 0 HD22 ASN A 90 -10.188 9.564 8.531 1.00 0.00 H new ATOM 1392 N VAL A 91 -6.358 10.820 8.617 1.00 0.00 N ATOM 1393 CA VAL A 91 -6.307 12.079 9.351 1.00 0.00 C ATOM 1394 C VAL A 91 -5.762 13.203 8.476 1.00 0.00 C ATOM 1395 O VAL A 91 -5.252 12.961 7.382 1.00 0.00 O ATOM 1396 CB VAL A 91 -5.433 11.958 10.613 1.00 0.00 C ATOM 1397 CG1 VAL A 91 -3.963 11.848 10.237 1.00 0.00 C ATOM 1398 CG2 VAL A 91 -5.668 13.142 11.539 1.00 0.00 C ATOM 0 H VAL A 91 -5.963 10.863 7.678 1.00 0.00 H new ATOM 0 HA VAL A 91 -7.329 12.314 9.647 1.00 0.00 H new ATOM 0 HB VAL A 91 -5.716 11.049 11.144 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -3.361 11.763 11.142 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -3.811 10.965 9.616 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -3.662 12.737 9.683 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -5.042 13.040 12.426 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -5.414 14.066 11.020 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -6.716 13.169 11.836 1.00 0.00 H new ATOM 1408 N ASP A 92 -5.874 14.433 8.965 1.00 0.00 N ATOM 1409 CA ASP A 92 -5.391 15.596 8.229 1.00 0.00 C ATOM 1410 C ASP A 92 -3.908 15.454 7.900 1.00 0.00 C ATOM 1411 O ASP A 92 -3.508 15.555 6.740 1.00 0.00 O ATOM 1412 CB ASP A 92 -5.627 16.873 9.037 1.00 0.00 C ATOM 1413 CG ASP A 92 -7.071 17.332 8.986 1.00 0.00 C ATOM 1414 OD1 ASP A 92 -7.725 17.113 7.946 1.00 0.00 O ATOM 1415 OD2 ASP A 92 -7.545 17.911 9.986 1.00 0.00 O ATOM 0 H ASP A 92 -6.295 14.651 9.868 1.00 0.00 H new ATOM 0 HA ASP A 92 -5.948 15.659 7.294 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -5.340 16.701 10.074 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -4.983 17.665 8.655 1.00 0.00 H new ATOM 1420 N GLN A 93 -3.100 15.220 8.928 1.00 0.00 N ATOM 1421 CA GLN A 93 -1.660 15.066 8.748 1.00 0.00 C ATOM 1422 C GLN A 93 -1.137 13.874 9.542 1.00 0.00 C ATOM 1423 O GLN A 93 -0.596 14.018 10.639 1.00 0.00 O ATOM 1424 CB GLN A 93 -0.932 16.341 9.178 1.00 0.00 C ATOM 1425 CG GLN A 93 -1.351 16.849 10.547 1.00 0.00 C ATOM 1426 CD GLN A 93 -0.908 18.276 10.801 1.00 0.00 C ATOM 1427 OE1 GLN A 93 -1.126 19.162 9.974 1.00 0.00 O ATOM 1428 NE2 GLN A 93 -0.283 18.507 11.950 1.00 0.00 N ATOM 0 H GLN A 93 -3.416 15.133 9.894 1.00 0.00 H new ATOM 0 HA GLN A 93 -1.468 14.886 7.690 1.00 0.00 H new ATOM 0 HB2 GLN A 93 0.142 16.152 9.183 1.00 0.00 H new ATOM 0 HB3 GLN A 93 -1.115 17.121 8.439 1.00 0.00 H new ATOM 0 HG2 GLN A 93 -2.436 16.788 10.637 1.00 0.00 H new ATOM 0 HG3 GLN A 93 -0.931 16.200 11.315 1.00 0.00 H new ATOM 0 HE21 GLN A 93 -0.123 17.743 12.606 1.00 0.00 H new ATOM 0 HE22 GLN A 93 0.037 19.449 12.176 1.00 0.00 H new ATOM 1437 N PRO A 94 -1.300 12.668 8.979 1.00 0.00 N ATOM 1438 CA PRO A 94 -0.850 11.428 9.618 1.00 0.00 C ATOM 1439 C PRO A 94 0.670 11.313 9.654 1.00 0.00 C ATOM 1440 O PRO A 94 1.375 12.066 8.982 1.00 0.00 O ATOM 1441 CB PRO A 94 -1.447 10.334 8.729 1.00 0.00 C ATOM 1442 CG PRO A 94 -1.618 10.979 7.397 1.00 0.00 C ATOM 1443 CD PRO A 94 -1.936 12.423 7.673 1.00 0.00 C ATOM 0 HA PRO A 94 -1.165 11.369 10.660 1.00 0.00 H new ATOM 0 HB2 PRO A 94 -0.786 9.469 8.668 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -2.400 9.980 9.123 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -0.711 10.887 6.800 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -2.421 10.504 6.833 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -1.533 13.078 6.901 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -3.011 12.598 7.710 1.00 0.00 H new ATOM 1451 N ASP A 95 1.169 10.367 10.443 1.00 0.00 N ATOM 1452 CA ASP A 95 2.605 10.154 10.566 1.00 0.00 C ATOM 1453 C ASP A 95 3.164 9.480 9.316 1.00 0.00 C ATOM 1454 O ASP A 95 3.164 8.255 9.206 1.00 0.00 O ATOM 1455 CB ASP A 95 2.913 9.301 11.799 1.00 0.00 C ATOM 1456 CG ASP A 95 2.772 10.081 13.091 1.00 0.00 C ATOM 1457 OD1 ASP A 95 1.867 10.939 13.170 1.00 0.00 O ATOM 1458 OD2 ASP A 95 3.566 9.834 14.023 1.00 0.00 O ATOM 0 H ASP A 95 0.599 9.736 11.007 1.00 0.00 H new ATOM 0 HA ASP A 95 3.082 11.128 10.678 1.00 0.00 H new ATOM 0 HB2 ASP A 95 2.241 8.443 11.821 1.00 0.00 H new ATOM 0 HB3 ASP A 95 3.928 8.910 11.723 1.00 0.00 H new ATOM 1463 N GLU A 96 3.638 10.292 8.375 1.00 0.00 N ATOM 1464 CA GLU A 96 4.197 9.773 7.132 1.00 0.00 C ATOM 1465 C GLU A 96 5.141 8.606 7.405 1.00 0.00 C ATOM 1466 O GLU A 96 5.090 7.579 6.726 1.00 0.00 O ATOM 1467 CB GLU A 96 4.942 10.881 6.381 1.00 0.00 C ATOM 1468 CG GLU A 96 6.124 11.447 7.149 1.00 0.00 C ATOM 1469 CD GLU A 96 5.709 12.143 8.431 1.00 0.00 C ATOM 1470 OE1 GLU A 96 4.811 13.010 8.372 1.00 0.00 O ATOM 1471 OE2 GLU A 96 6.281 11.820 9.492 1.00 0.00 O ATOM 0 H GLU A 96 3.646 11.309 8.450 1.00 0.00 H new ATOM 0 HA GLU A 96 3.373 9.414 6.515 1.00 0.00 H new ATOM 0 HB2 GLU A 96 5.294 10.489 5.427 1.00 0.00 H new ATOM 0 HB3 GLU A 96 4.245 11.688 6.156 1.00 0.00 H new ATOM 0 HG2 GLU A 96 6.818 10.641 7.386 1.00 0.00 H new ATOM 0 HG3 GLU A 96 6.660 12.153 6.514 1.00 0.00 H new ATOM 1478 N LYS A 97 6.003 8.771 8.402 1.00 0.00 N ATOM 1479 CA LYS A 97 6.959 7.731 8.768 1.00 0.00 C ATOM 1480 C LYS A 97 6.240 6.465 9.220 1.00 0.00 C ATOM 1481 O LYS A 97 6.661 5.353 8.901 1.00 0.00 O ATOM 1482 CB LYS A 97 7.886 8.229 9.879 1.00 0.00 C ATOM 1483 CG LYS A 97 8.676 9.470 9.501 1.00 0.00 C ATOM 1484 CD LYS A 97 10.010 9.110 8.867 1.00 0.00 C ATOM 1485 CE LYS A 97 9.869 8.874 7.371 1.00 0.00 C ATOM 1486 NZ LYS A 97 11.191 8.863 6.685 1.00 0.00 N ATOM 0 H LYS A 97 6.060 9.615 8.972 1.00 0.00 H new ATOM 0 HA LYS A 97 7.554 7.494 7.886 1.00 0.00 H new ATOM 0 HB2 LYS A 97 7.292 8.443 10.768 1.00 0.00 H new ATOM 0 HB3 LYS A 97 8.581 7.433 10.145 1.00 0.00 H new ATOM 0 HG2 LYS A 97 8.094 10.076 8.807 1.00 0.00 H new ATOM 0 HG3 LYS A 97 8.847 10.078 10.389 1.00 0.00 H new ATOM 0 HD2 LYS A 97 10.727 9.912 9.044 1.00 0.00 H new ATOM 0 HD3 LYS A 97 10.410 8.214 9.342 1.00 0.00 H new ATOM 0 HE2 LYS A 97 9.363 7.924 7.199 1.00 0.00 H new ATOM 0 HE3 LYS A 97 9.241 9.653 6.938 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 11.077 8.502 5.716 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 11.573 9.830 6.651 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 11.848 8.249 7.208 1.00 0.00 H new ATOM 1500 N SER A 98 5.153 6.641 9.963 1.00 0.00 N ATOM 1501 CA SER A 98 4.377 5.512 10.462 1.00 0.00 C ATOM 1502 C SER A 98 3.740 4.740 9.311 1.00 0.00 C ATOM 1503 O SER A 98 3.394 3.567 9.451 1.00 0.00 O ATOM 1504 CB SER A 98 3.292 5.997 11.427 1.00 0.00 C ATOM 1505 OG SER A 98 2.096 6.309 10.734 1.00 0.00 O ATOM 0 H SER A 98 4.789 7.555 10.233 1.00 0.00 H new ATOM 0 HA SER A 98 5.055 4.845 10.994 1.00 0.00 H new ATOM 0 HB2 SER A 98 3.094 5.227 12.173 1.00 0.00 H new ATOM 0 HB3 SER A 98 3.645 6.877 11.964 1.00 0.00 H new ATOM 0 HG SER A 98 2.271 7.021 10.083 1.00 0.00 H new ATOM 1511 N ILE A 99 3.587 5.408 8.172 1.00 0.00 N ATOM 1512 CA ILE A 99 2.993 4.786 6.995 1.00 0.00 C ATOM 1513 C ILE A 99 4.065 4.188 6.088 1.00 0.00 C ATOM 1514 O ILE A 99 3.944 3.050 5.634 1.00 0.00 O ATOM 1515 CB ILE A 99 2.157 5.794 6.186 1.00 0.00 C ATOM 1516 CG1 ILE A 99 1.029 6.362 7.049 1.00 0.00 C ATOM 1517 CG2 ILE A 99 1.594 5.134 4.936 1.00 0.00 C ATOM 1518 CD1 ILE A 99 0.331 7.551 6.426 1.00 0.00 C ATOM 0 H ILE A 99 3.866 6.380 8.040 1.00 0.00 H new ATOM 0 HA ILE A 99 2.340 3.991 7.355 1.00 0.00 H new ATOM 0 HB ILE A 99 2.804 6.616 5.879 1.00 0.00 H new ATOM 0 HG12 ILE A 99 0.296 5.578 7.236 1.00 0.00 H new ATOM 0 HG13 ILE A 99 1.436 6.656 8.017 1.00 0.00 H new ATOM 0 HG21 ILE A 99 1.005 5.860 4.375 1.00 0.00 H new ATOM 0 HG22 ILE A 99 2.414 4.773 4.314 1.00 0.00 H new ATOM 0 HG23 ILE A 99 0.959 4.295 5.222 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -0.457 7.901 7.093 1.00 0.00 H new ATOM 0 HD12 ILE A 99 1.052 8.352 6.264 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -0.106 7.257 5.471 1.00 0.00 H new ATOM 1530 N ILE A 100 5.113 4.963 5.831 1.00 0.00 N ATOM 1531 CA ILE A 100 6.208 4.509 4.983 1.00 0.00 C ATOM 1532 C ILE A 100 6.665 3.108 5.376 1.00 0.00 C ATOM 1533 O ILE A 100 7.024 2.297 4.521 1.00 0.00 O ATOM 1534 CB ILE A 100 7.411 5.468 5.055 1.00 0.00 C ATOM 1535 CG1 ILE A 100 7.037 6.835 4.478 1.00 0.00 C ATOM 1536 CG2 ILE A 100 8.601 4.881 4.311 1.00 0.00 C ATOM 1537 CD1 ILE A 100 7.849 7.976 5.052 1.00 0.00 C ATOM 0 H ILE A 100 5.227 5.908 6.198 1.00 0.00 H new ATOM 0 HA ILE A 100 5.828 4.491 3.961 1.00 0.00 H new ATOM 0 HB ILE A 100 7.690 5.600 6.101 1.00 0.00 H new ATOM 0 HG12 ILE A 100 7.171 6.813 3.396 1.00 0.00 H new ATOM 0 HG13 ILE A 100 5.980 7.022 4.665 1.00 0.00 H new ATOM 0 HG21 ILE A 100 9.443 5.570 4.371 1.00 0.00 H new ATOM 0 HG22 ILE A 100 8.879 3.929 4.763 1.00 0.00 H new ATOM 0 HG23 ILE A 100 8.335 4.723 3.266 1.00 0.00 H new ATOM 0 HD11 ILE A 100 7.530 8.914 4.598 1.00 0.00 H new ATOM 0 HD12 ILE A 100 7.697 8.025 6.130 1.00 0.00 H new ATOM 0 HD13 ILE A 100 8.906 7.812 4.842 1.00 0.00 H new ATOM 1549 N THR A 101 6.645 2.828 6.675 1.00 0.00 N ATOM 1550 CA THR A 101 7.056 1.525 7.182 1.00 0.00 C ATOM 1551 C THR A 101 6.022 0.455 6.851 1.00 0.00 C ATOM 1552 O THR A 101 6.372 -0.668 6.485 1.00 0.00 O ATOM 1553 CB THR A 101 7.273 1.558 8.707 1.00 0.00 C ATOM 1554 OG1 THR A 101 8.077 2.688 9.062 1.00 0.00 O ATOM 1555 CG2 THR A 101 7.945 0.280 9.186 1.00 0.00 C ATOM 0 H THR A 101 6.348 3.486 7.395 1.00 0.00 H new ATOM 0 HA THR A 101 7.999 1.279 6.693 1.00 0.00 H new ATOM 0 HB THR A 101 6.299 1.639 9.189 1.00 0.00 H new ATOM 0 HG1 THR A 101 7.544 3.507 8.981 1.00 0.00 H new ATOM 0 HG21 THR A 101 8.088 0.327 10.266 1.00 0.00 H new ATOM 0 HG22 THR A 101 7.317 -0.576 8.940 1.00 0.00 H new ATOM 0 HG23 THR A 101 8.913 0.172 8.696 1.00 0.00 H new ATOM 1563 N TYR A 102 4.749 0.810 6.980 1.00 0.00 N ATOM 1564 CA TYR A 102 3.663 -0.122 6.695 1.00 0.00 C ATOM 1565 C TYR A 102 3.643 -0.499 5.217 1.00 0.00 C ATOM 1566 O TYR A 102 3.684 -1.678 4.864 1.00 0.00 O ATOM 1567 CB TYR A 102 2.320 0.490 7.097 1.00 0.00 C ATOM 1568 CG TYR A 102 1.126 -0.287 6.591 1.00 0.00 C ATOM 1569 CD1 TYR A 102 0.641 -0.095 5.303 1.00 0.00 C ATOM 1570 CD2 TYR A 102 0.483 -1.215 7.402 1.00 0.00 C ATOM 1571 CE1 TYR A 102 -0.450 -0.802 4.838 1.00 0.00 C ATOM 1572 CE2 TYR A 102 -0.608 -1.928 6.944 1.00 0.00 C ATOM 1573 CZ TYR A 102 -1.072 -1.719 5.662 1.00 0.00 C ATOM 1574 OH TYR A 102 -2.158 -2.426 5.202 1.00 0.00 O ATOM 0 H TYR A 102 4.443 1.736 7.280 1.00 0.00 H new ATOM 0 HA TYR A 102 3.831 -1.027 7.279 1.00 0.00 H new ATOM 0 HB2 TYR A 102 2.269 0.552 8.184 1.00 0.00 H new ATOM 0 HB3 TYR A 102 2.267 1.510 6.717 1.00 0.00 H new ATOM 0 HD1 TYR A 102 1.126 0.620 4.654 1.00 0.00 H new ATOM 0 HD2 TYR A 102 0.842 -1.381 8.407 1.00 0.00 H new ATOM 0 HE1 TYR A 102 -0.815 -0.639 3.835 1.00 0.00 H new ATOM 0 HE2 TYR A 102 -1.095 -2.646 7.587 1.00 0.00 H new ATOM 0 HH TYR A 102 -2.477 -3.030 5.905 1.00 0.00 H new ATOM 1584 N VAL A 103 3.578 0.512 4.356 1.00 0.00 N ATOM 1585 CA VAL A 103 3.554 0.289 2.916 1.00 0.00 C ATOM 1586 C VAL A 103 4.797 -0.461 2.454 1.00 0.00 C ATOM 1587 O VAL A 103 4.743 -1.259 1.520 1.00 0.00 O ATOM 1588 CB VAL A 103 3.451 1.618 2.144 1.00 0.00 C ATOM 1589 CG1 VAL A 103 4.585 2.552 2.538 1.00 0.00 C ATOM 1590 CG2 VAL A 103 3.455 1.364 0.644 1.00 0.00 C ATOM 0 H VAL A 103 3.541 1.493 4.631 1.00 0.00 H new ATOM 0 HA VAL A 103 2.671 -0.315 2.704 1.00 0.00 H new ATOM 0 HB VAL A 103 2.508 2.099 2.405 1.00 0.00 H new ATOM 0 HG11 VAL A 103 4.497 3.486 1.983 1.00 0.00 H new ATOM 0 HG12 VAL A 103 4.531 2.759 3.607 1.00 0.00 H new ATOM 0 HG13 VAL A 103 5.541 2.082 2.307 1.00 0.00 H new ATOM 0 HG21 VAL A 103 3.382 2.314 0.114 1.00 0.00 H new ATOM 0 HG22 VAL A 103 4.381 0.862 0.362 1.00 0.00 H new ATOM 0 HG23 VAL A 103 2.606 0.734 0.379 1.00 0.00 H new ATOM 1600 N ALA A 104 5.920 -0.197 3.117 1.00 0.00 N ATOM 1601 CA ALA A 104 7.179 -0.849 2.776 1.00 0.00 C ATOM 1602 C ALA A 104 7.002 -2.359 2.663 1.00 0.00 C ATOM 1603 O ALA A 104 7.593 -3.001 1.793 1.00 0.00 O ATOM 1604 CB ALA A 104 8.242 -0.517 3.812 1.00 0.00 C ATOM 0 H ALA A 104 5.983 0.463 3.892 1.00 0.00 H new ATOM 0 HA ALA A 104 7.503 -0.474 1.805 1.00 0.00 H new ATOM 0 HB1 ALA A 104 9.177 -1.010 3.545 1.00 0.00 H new ATOM 0 HB2 ALA A 104 8.397 0.562 3.842 1.00 0.00 H new ATOM 0 HB3 ALA A 104 7.916 -0.864 4.792 1.00 0.00 H new ATOM 1610 N THR A 105 6.184 -2.923 3.547 1.00 0.00 N ATOM 1611 CA THR A 105 5.931 -4.358 3.546 1.00 0.00 C ATOM 1612 C THR A 105 5.362 -4.816 2.209 1.00 0.00 C ATOM 1613 O THR A 105 5.771 -5.844 1.667 1.00 0.00 O ATOM 1614 CB THR A 105 4.957 -4.757 4.671 1.00 0.00 C ATOM 1615 OG1 THR A 105 3.638 -4.292 4.363 1.00 0.00 O ATOM 1616 CG2 THR A 105 5.404 -4.179 6.005 1.00 0.00 C ATOM 0 H THR A 105 5.686 -2.407 4.272 1.00 0.00 H new ATOM 0 HA THR A 105 6.890 -4.848 3.715 1.00 0.00 H new ATOM 0 HB THR A 105 4.951 -5.844 4.748 1.00 0.00 H new ATOM 0 HG1 THR A 105 3.508 -3.399 4.745 1.00 0.00 H new ATOM 0 HG21 THR A 105 4.701 -4.474 6.784 1.00 0.00 H new ATOM 0 HG22 THR A 105 6.397 -4.556 6.251 1.00 0.00 H new ATOM 0 HG23 THR A 105 5.436 -3.092 5.938 1.00 0.00 H new ATOM 1624 N TYR A 106 4.415 -4.047 1.680 1.00 0.00 N ATOM 1625 CA TYR A 106 3.787 -4.376 0.406 1.00 0.00 C ATOM 1626 C TYR A 106 4.839 -4.642 -0.667 1.00 0.00 C ATOM 1627 O TYR A 106 4.646 -5.481 -1.547 1.00 0.00 O ATOM 1628 CB TYR A 106 2.866 -3.240 -0.040 1.00 0.00 C ATOM 1629 CG TYR A 106 1.518 -3.248 0.648 1.00 0.00 C ATOM 1630 CD1 TYR A 106 1.413 -3.516 2.007 1.00 0.00 C ATOM 1631 CD2 TYR A 106 0.353 -2.990 -0.061 1.00 0.00 C ATOM 1632 CE1 TYR A 106 0.185 -3.526 2.640 1.00 0.00 C ATOM 1633 CE2 TYR A 106 -0.880 -2.995 0.564 1.00 0.00 C ATOM 1634 CZ TYR A 106 -0.958 -3.264 1.914 1.00 0.00 C ATOM 1635 OH TYR A 106 -2.183 -3.272 2.540 1.00 0.00 O ATOM 0 H TYR A 106 4.066 -3.192 2.114 1.00 0.00 H new ATOM 0 HA TYR A 106 3.197 -5.282 0.544 1.00 0.00 H new ATOM 0 HB2 TYR A 106 3.358 -2.287 0.154 1.00 0.00 H new ATOM 0 HB3 TYR A 106 2.715 -3.307 -1.117 1.00 0.00 H new ATOM 0 HD1 TYR A 106 2.306 -3.720 2.578 1.00 0.00 H new ATOM 0 HD2 TYR A 106 0.411 -2.782 -1.119 1.00 0.00 H new ATOM 0 HE1 TYR A 106 0.120 -3.738 3.697 1.00 0.00 H new ATOM 0 HE2 TYR A 106 -1.777 -2.789 -0.002 1.00 0.00 H new ATOM 0 HH TYR A 106 -2.083 -2.948 3.460 1.00 0.00 H new ATOM 1645 N TYR A 107 5.953 -3.922 -0.586 1.00 0.00 N ATOM 1646 CA TYR A 107 7.035 -4.079 -1.550 1.00 0.00 C ATOM 1647 C TYR A 107 7.862 -5.323 -1.243 1.00 0.00 C ATOM 1648 O TYR A 107 8.050 -6.186 -2.102 1.00 0.00 O ATOM 1649 CB TYR A 107 7.935 -2.841 -1.544 1.00 0.00 C ATOM 1650 CG TYR A 107 9.331 -3.105 -2.058 1.00 0.00 C ATOM 1651 CD1 TYR A 107 9.605 -3.096 -3.420 1.00 0.00 C ATOM 1652 CD2 TYR A 107 10.378 -3.363 -1.181 1.00 0.00 C ATOM 1653 CE1 TYR A 107 10.880 -3.337 -3.894 1.00 0.00 C ATOM 1654 CE2 TYR A 107 11.657 -3.603 -1.647 1.00 0.00 C ATOM 1655 CZ TYR A 107 11.902 -3.590 -3.003 1.00 0.00 C ATOM 1656 OH TYR A 107 13.174 -3.830 -3.471 1.00 0.00 O ATOM 0 H TYR A 107 6.130 -3.225 0.137 1.00 0.00 H new ATOM 0 HA TYR A 107 6.592 -4.194 -2.539 1.00 0.00 H new ATOM 0 HB2 TYR A 107 7.474 -2.064 -2.153 1.00 0.00 H new ATOM 0 HB3 TYR A 107 7.999 -2.453 -0.527 1.00 0.00 H new ATOM 0 HD1 TYR A 107 8.807 -2.897 -4.120 1.00 0.00 H new ATOM 0 HD2 TYR A 107 10.189 -3.376 -0.118 1.00 0.00 H new ATOM 0 HE1 TYR A 107 11.075 -3.327 -4.956 1.00 0.00 H new ATOM 0 HE2 TYR A 107 12.460 -3.800 -0.952 1.00 0.00 H new ATOM 0 HH TYR A 107 13.776 -3.989 -2.714 1.00 0.00 H new ATOM 1666 N HIS A 108 8.354 -5.411 -0.012 1.00 0.00 N ATOM 1667 CA HIS A 108 9.161 -6.550 0.411 1.00 0.00 C ATOM 1668 C HIS A 108 8.413 -7.860 0.181 1.00 0.00 C ATOM 1669 O HIS A 108 8.908 -8.758 -0.501 1.00 0.00 O ATOM 1670 CB HIS A 108 9.538 -6.416 1.887 1.00 0.00 C ATOM 1671 CG HIS A 108 10.622 -5.415 2.140 1.00 0.00 C ATOM 1672 ND1 HIS A 108 11.964 -5.736 2.111 1.00 0.00 N ATOM 1673 CD2 HIS A 108 10.558 -4.095 2.426 1.00 0.00 C ATOM 1674 CE1 HIS A 108 12.677 -4.654 2.370 1.00 0.00 C ATOM 1675 NE2 HIS A 108 11.848 -3.645 2.564 1.00 0.00 N ATOM 0 H HIS A 108 8.208 -4.707 0.711 1.00 0.00 H new ATOM 0 HA HIS A 108 10.071 -6.561 -0.188 1.00 0.00 H new ATOM 0 HB2 HIS A 108 8.652 -6.132 2.455 1.00 0.00 H new ATOM 0 HB3 HIS A 108 9.858 -7.388 2.261 1.00 0.00 H new ATOM 0 HD2 HIS A 108 9.659 -3.504 2.527 1.00 0.00 H new ATOM 0 HE1 HIS A 108 13.755 -4.604 2.415 1.00 0.00 H new ATOM 0 HE2 HIS A 108 12.121 -2.687 2.781 1.00 0.00 H new ATOM 1684 N TYR A 109 7.220 -7.962 0.754 1.00 0.00 N ATOM 1685 CA TYR A 109 6.404 -9.163 0.615 1.00 0.00 C ATOM 1686 C TYR A 109 6.360 -9.625 -0.838 1.00 0.00 C ATOM 1687 O TYR A 109 6.899 -10.677 -1.185 1.00 0.00 O ATOM 1688 CB TYR A 109 4.985 -8.904 1.123 1.00 0.00 C ATOM 1689 CG TYR A 109 4.008 -10.005 0.778 1.00 0.00 C ATOM 1690 CD1 TYR A 109 3.864 -11.116 1.600 1.00 0.00 C ATOM 1691 CD2 TYR A 109 3.228 -9.934 -0.371 1.00 0.00 C ATOM 1692 CE1 TYR A 109 2.972 -12.124 1.287 1.00 0.00 C ATOM 1693 CE2 TYR A 109 2.334 -10.936 -0.689 1.00 0.00 C ATOM 1694 CZ TYR A 109 2.210 -12.030 0.143 1.00 0.00 C ATOM 1695 OH TYR A 109 1.320 -13.032 -0.172 1.00 0.00 O ATOM 0 H TYR A 109 6.795 -7.227 1.320 1.00 0.00 H new ATOM 0 HA TYR A 109 6.858 -9.951 1.215 1.00 0.00 H new ATOM 0 HB2 TYR A 109 5.013 -8.780 2.206 1.00 0.00 H new ATOM 0 HB3 TYR A 109 4.624 -7.965 0.704 1.00 0.00 H new ATOM 0 HD1 TYR A 109 4.459 -11.193 2.498 1.00 0.00 H new ATOM 0 HD2 TYR A 109 3.323 -9.080 -1.026 1.00 0.00 H new ATOM 0 HE1 TYR A 109 2.873 -12.981 1.936 1.00 0.00 H new ATOM 0 HE2 TYR A 109 1.734 -10.864 -1.584 1.00 0.00 H new ATOM 0 HH TYR A 109 0.861 -12.811 -1.009 1.00 0.00 H new ATOM 1705 N PHE A 110 5.715 -8.831 -1.686 1.00 0.00 N ATOM 1706 CA PHE A 110 5.598 -9.157 -3.102 1.00 0.00 C ATOM 1707 C PHE A 110 6.971 -9.417 -3.714 1.00 0.00 C ATOM 1708 O PHE A 110 7.153 -10.367 -4.476 1.00 0.00 O ATOM 1709 CB PHE A 110 4.899 -8.022 -3.853 1.00 0.00 C ATOM 1710 CG PHE A 110 3.406 -8.175 -3.914 1.00 0.00 C ATOM 1711 CD1 PHE A 110 2.829 -9.162 -4.696 1.00 0.00 C ATOM 1712 CD2 PHE A 110 2.580 -7.331 -3.188 1.00 0.00 C ATOM 1713 CE1 PHE A 110 1.455 -9.303 -4.755 1.00 0.00 C ATOM 1714 CE2 PHE A 110 1.206 -7.468 -3.243 1.00 0.00 C ATOM 1715 CZ PHE A 110 0.642 -8.456 -4.027 1.00 0.00 C ATOM 0 H PHE A 110 5.265 -7.956 -1.417 1.00 0.00 H new ATOM 0 HA PHE A 110 5.001 -10.064 -3.193 1.00 0.00 H new ATOM 0 HB2 PHE A 110 5.140 -7.075 -3.370 1.00 0.00 H new ATOM 0 HB3 PHE A 110 5.293 -7.972 -4.868 1.00 0.00 H new ATOM 0 HD1 PHE A 110 3.459 -9.829 -5.266 1.00 0.00 H new ATOM 0 HD2 PHE A 110 3.015 -6.558 -2.572 1.00 0.00 H new ATOM 0 HE1 PHE A 110 1.017 -10.075 -5.370 1.00 0.00 H new ATOM 0 HE2 PHE A 110 0.573 -6.803 -2.674 1.00 0.00 H new ATOM 0 HZ PHE A 110 -0.432 -8.566 -4.071 1.00 0.00 H new ATOM 1725 N SER A 111 7.934 -8.565 -3.377 1.00 0.00 N ATOM 1726 CA SER A 111 9.290 -8.699 -3.897 1.00 0.00 C ATOM 1727 C SER A 111 9.771 -10.143 -3.794 1.00 0.00 C ATOM 1728 O SER A 111 10.247 -10.723 -4.770 1.00 0.00 O ATOM 1729 CB SER A 111 10.244 -7.776 -3.135 1.00 0.00 C ATOM 1730 OG SER A 111 11.546 -7.816 -3.692 1.00 0.00 O ATOM 0 H SER A 111 7.800 -7.775 -2.746 1.00 0.00 H new ATOM 0 HA SER A 111 9.280 -8.412 -4.948 1.00 0.00 H new ATOM 0 HB2 SER A 111 9.865 -6.754 -3.161 1.00 0.00 H new ATOM 0 HB3 SER A 111 10.284 -8.074 -2.087 1.00 0.00 H new ATOM 0 HG SER A 111 12.136 -7.217 -3.188 1.00 0.00 H new ATOM 1736 N LYS A 112 9.645 -10.719 -2.603 1.00 0.00 N ATOM 1737 CA LYS A 112 10.065 -12.095 -2.369 1.00 0.00 C ATOM 1738 C LYS A 112 9.635 -12.998 -3.521 1.00 0.00 C ATOM 1739 O LYS A 112 10.417 -13.812 -4.009 1.00 0.00 O ATOM 1740 CB LYS A 112 9.478 -12.613 -1.054 1.00 0.00 C ATOM 1741 CG LYS A 112 9.919 -11.820 0.164 1.00 0.00 C ATOM 1742 CD LYS A 112 11.284 -12.269 0.657 1.00 0.00 C ATOM 1743 CE LYS A 112 11.650 -11.595 1.970 1.00 0.00 C ATOM 1744 NZ LYS A 112 12.603 -12.416 2.768 1.00 0.00 N ATOM 0 H LYS A 112 9.255 -10.253 -1.784 1.00 0.00 H new ATOM 0 HA LYS A 112 11.153 -12.111 -2.305 1.00 0.00 H new ATOM 0 HB2 LYS A 112 8.390 -12.590 -1.118 1.00 0.00 H new ATOM 0 HB3 LYS A 112 9.768 -13.656 -0.923 1.00 0.00 H new ATOM 0 HG2 LYS A 112 9.951 -10.759 -0.084 1.00 0.00 H new ATOM 0 HG3 LYS A 112 9.186 -11.939 0.962 1.00 0.00 H new ATOM 0 HD2 LYS A 112 11.287 -13.351 0.789 1.00 0.00 H new ATOM 0 HD3 LYS A 112 12.038 -12.037 -0.095 1.00 0.00 H new ATOM 0 HE2 LYS A 112 12.093 -10.620 1.767 1.00 0.00 H new ATOM 0 HE3 LYS A 112 10.746 -11.419 2.553 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 12.828 -11.922 3.655 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 12.171 -13.337 2.984 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 13.476 -12.562 2.223 1.00 0.00 H new ATOM 1758 N MET A 113 8.386 -12.846 -3.951 1.00 0.00 N ATOM 1759 CA MET A 113 7.854 -13.647 -5.048 1.00 0.00 C ATOM 1760 C MET A 113 8.808 -13.642 -6.238 1.00 0.00 C ATOM 1761 O MET A 113 9.853 -12.991 -6.206 1.00 0.00 O ATOM 1762 CB MET A 113 6.483 -13.116 -5.476 1.00 0.00 C ATOM 1763 CG MET A 113 5.423 -13.230 -4.393 1.00 0.00 C ATOM 1764 SD MET A 113 4.824 -14.917 -4.181 1.00 0.00 S ATOM 1765 CE MET A 113 5.412 -15.279 -2.528 1.00 0.00 C ATOM 0 H MET A 113 7.725 -12.177 -3.557 1.00 0.00 H new ATOM 0 HA MET A 113 7.746 -14.673 -4.697 1.00 0.00 H new ATOM 0 HB2 MET A 113 6.582 -12.070 -5.767 1.00 0.00 H new ATOM 0 HB3 MET A 113 6.150 -13.663 -6.358 1.00 0.00 H new ATOM 0 HG2 MET A 113 5.834 -12.873 -3.449 1.00 0.00 H new ATOM 0 HG3 MET A 113 4.584 -12.579 -4.641 1.00 0.00 H new ATOM 0 HE1 MET A 113 5.119 -16.292 -2.251 1.00 0.00 H new ATOM 0 HE2 MET A 113 6.498 -15.196 -2.502 1.00 0.00 H new ATOM 0 HE3 MET A 113 4.977 -14.570 -1.824 1.00 0.00 H new ATOM 1775 N LYS A 114 8.443 -14.373 -7.285 1.00 0.00 N ATOM 1776 CA LYS A 114 9.267 -14.453 -8.487 1.00 0.00 C ATOM 1777 C LYS A 114 9.745 -13.068 -8.912 1.00 0.00 C ATOM 1778 O LYS A 114 9.321 -12.057 -8.354 1.00 0.00 O ATOM 1779 CB LYS A 114 8.480 -15.104 -9.627 1.00 0.00 C ATOM 1780 CG LYS A 114 7.215 -14.351 -10.000 1.00 0.00 C ATOM 1781 CD LYS A 114 6.023 -14.824 -9.185 1.00 0.00 C ATOM 1782 CE LYS A 114 4.711 -14.542 -9.900 1.00 0.00 C ATOM 1783 NZ LYS A 114 4.557 -15.374 -11.126 1.00 0.00 N ATOM 0 H LYS A 114 7.582 -14.919 -7.327 1.00 0.00 H new ATOM 0 HA LYS A 114 10.139 -15.065 -8.259 1.00 0.00 H new ATOM 0 HB2 LYS A 114 9.122 -15.177 -10.505 1.00 0.00 H new ATOM 0 HB3 LYS A 114 8.216 -16.122 -9.340 1.00 0.00 H new ATOM 0 HG2 LYS A 114 7.366 -13.283 -9.840 1.00 0.00 H new ATOM 0 HG3 LYS A 114 7.009 -14.488 -11.061 1.00 0.00 H new ATOM 0 HD2 LYS A 114 6.112 -15.894 -8.995 1.00 0.00 H new ATOM 0 HD3 LYS A 114 6.024 -14.327 -8.215 1.00 0.00 H new ATOM 0 HE2 LYS A 114 3.879 -14.736 -9.223 1.00 0.00 H new ATOM 0 HE3 LYS A 114 4.664 -13.487 -10.169 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 3.549 -15.444 -11.374 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 5.077 -14.934 -11.912 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 4.937 -16.326 -10.950 1.00 0.00 H new ATOM 1797 N ALA A 115 10.629 -13.031 -9.904 1.00 0.00 N ATOM 1798 CA ALA A 115 11.161 -11.771 -10.405 1.00 0.00 C ATOM 1799 C ALA A 115 11.974 -11.053 -9.334 1.00 0.00 C ATOM 1800 O ALA A 115 11.776 -9.864 -9.083 1.00 0.00 O ATOM 1801 CB ALA A 115 10.031 -10.880 -10.899 1.00 0.00 C ATOM 0 H ALA A 115 10.991 -13.859 -10.376 1.00 0.00 H new ATOM 0 HA ALA A 115 11.826 -11.993 -11.240 1.00 0.00 H new ATOM 0 HB1 ALA A 115 10.443 -9.942 -11.271 1.00 0.00 H new ATOM 0 HB2 ALA A 115 9.495 -11.384 -11.703 1.00 0.00 H new ATOM 0 HB3 ALA A 115 9.344 -10.675 -10.078 1.00 0.00 H new ATOM 1807 N LEU A 116 12.888 -11.782 -8.704 1.00 0.00 N ATOM 1808 CA LEU A 116 13.732 -11.215 -7.658 1.00 0.00 C ATOM 1809 C LEU A 116 14.574 -10.064 -8.201 1.00 0.00 C ATOM 1810 O LEU A 116 14.982 -10.075 -9.361 1.00 0.00 O ATOM 1811 CB LEU A 116 14.642 -12.293 -7.067 1.00 0.00 C ATOM 1812 CG LEU A 116 14.074 -13.077 -5.884 1.00 0.00 C ATOM 1813 CD1 LEU A 116 13.780 -12.145 -4.718 1.00 0.00 C ATOM 1814 CD2 LEU A 116 12.817 -13.830 -6.296 1.00 0.00 C ATOM 0 H LEU A 116 13.064 -12.768 -8.899 1.00 0.00 H new ATOM 0 HA LEU A 116 13.083 -10.827 -6.873 1.00 0.00 H new ATOM 0 HB2 LEU A 116 14.895 -13.000 -7.857 1.00 0.00 H new ATOM 0 HB3 LEU A 116 15.573 -11.821 -6.751 1.00 0.00 H new ATOM 0 HG LEU A 116 14.820 -13.804 -5.563 1.00 0.00 H new ATOM 0 HD11 LEU A 116 13.376 -12.721 -3.885 1.00 0.00 H new ATOM 0 HD12 LEU A 116 14.700 -11.651 -4.406 1.00 0.00 H new ATOM 0 HD13 LEU A 116 13.052 -11.394 -5.027 1.00 0.00 H new ATOM 0 HD21 LEU A 116 12.427 -14.382 -5.441 1.00 0.00 H new ATOM 0 HD22 LEU A 116 12.066 -13.121 -6.643 1.00 0.00 H new ATOM 0 HD23 LEU A 116 13.057 -14.527 -7.099 1.00 0.00 H new ATOM 1826 N ALA A 117 14.830 -9.074 -7.352 1.00 0.00 N ATOM 1827 CA ALA A 117 15.627 -7.919 -7.746 1.00 0.00 C ATOM 1828 C ALA A 117 17.043 -8.013 -7.188 1.00 0.00 C ATOM 1829 O ALA A 117 17.687 -6.997 -6.926 1.00 0.00 O ATOM 1830 CB ALA A 117 14.959 -6.633 -7.279 1.00 0.00 C ATOM 0 H ALA A 117 14.497 -9.049 -6.388 1.00 0.00 H new ATOM 0 HA ALA A 117 15.693 -7.908 -8.834 1.00 0.00 H new ATOM 0 HB1 ALA A 117 15.565 -5.778 -7.580 1.00 0.00 H new ATOM 0 HB2 ALA A 117 13.969 -6.553 -7.729 1.00 0.00 H new ATOM 0 HB3 ALA A 117 14.864 -6.646 -6.193 1.00 0.00 H new ATOM 1836 N VAL A 118 17.523 -9.239 -7.008 1.00 0.00 N ATOM 1837 CA VAL A 118 18.863 -9.466 -6.483 1.00 0.00 C ATOM 1838 C VAL A 118 19.628 -10.469 -7.339 1.00 0.00 C ATOM 1839 O VAL A 118 19.080 -11.489 -7.755 1.00 0.00 O ATOM 1840 CB VAL A 118 18.818 -9.978 -5.031 1.00 0.00 C ATOM 1841 CG1 VAL A 118 18.219 -11.375 -4.975 1.00 0.00 C ATOM 1842 CG2 VAL A 118 20.209 -9.960 -4.415 1.00 0.00 C ATOM 0 H VAL A 118 17.003 -10.091 -7.218 1.00 0.00 H new ATOM 0 HA VAL A 118 19.378 -8.505 -6.507 1.00 0.00 H new ATOM 0 HB VAL A 118 18.180 -9.312 -4.450 1.00 0.00 H new ATOM 0 HG11 VAL A 118 18.196 -11.720 -3.941 1.00 0.00 H new ATOM 0 HG12 VAL A 118 17.204 -11.352 -5.373 1.00 0.00 H new ATOM 0 HG13 VAL A 118 18.827 -12.056 -5.571 1.00 0.00 H new ATOM 0 HG21 VAL A 118 20.157 -10.325 -3.389 1.00 0.00 H new ATOM 0 HG22 VAL A 118 20.872 -10.601 -4.995 1.00 0.00 H new ATOM 0 HG23 VAL A 118 20.595 -8.941 -4.418 1.00 0.00 H new ATOM 1852 N GLU A 119 20.897 -10.172 -7.599 1.00 0.00 N ATOM 1853 CA GLU A 119 21.736 -11.048 -8.407 1.00 0.00 C ATOM 1854 C GLU A 119 22.485 -12.047 -7.529 1.00 0.00 C ATOM 1855 O GLU A 119 22.685 -11.814 -6.338 1.00 0.00 O ATOM 1856 CB GLU A 119 22.734 -10.224 -9.225 1.00 0.00 C ATOM 1857 CG GLU A 119 23.835 -9.597 -8.388 1.00 0.00 C ATOM 1858 CD GLU A 119 24.688 -8.626 -9.181 1.00 0.00 C ATOM 1859 OE1 GLU A 119 25.546 -9.090 -9.960 1.00 0.00 O ATOM 1860 OE2 GLU A 119 24.500 -7.402 -9.020 1.00 0.00 O ATOM 0 H GLU A 119 21.366 -9.332 -7.262 1.00 0.00 H new ATOM 0 HA GLU A 119 21.089 -11.602 -9.087 1.00 0.00 H new ATOM 0 HB2 GLU A 119 23.185 -10.864 -9.983 1.00 0.00 H new ATOM 0 HB3 GLU A 119 22.196 -9.436 -9.752 1.00 0.00 H new ATOM 0 HG2 GLU A 119 23.390 -9.076 -7.540 1.00 0.00 H new ATOM 0 HG3 GLU A 119 24.470 -10.384 -7.981 1.00 0.00 H new ATOM 1867 N GLY A 120 22.895 -13.161 -8.127 1.00 0.00 N ATOM 1868 CA GLY A 120 23.615 -14.179 -7.385 1.00 0.00 C ATOM 1869 C GLY A 120 24.603 -14.938 -8.250 1.00 0.00 C ATOM 1870 O GLY A 120 24.649 -14.747 -9.466 1.00 0.00 O ATOM 0 H GLY A 120 22.741 -13.377 -9.112 1.00 0.00 H new ATOM 0 HA2 GLY A 120 24.147 -13.712 -6.556 1.00 0.00 H new ATOM 0 HA3 GLY A 120 22.902 -14.881 -6.952 1.00 0.00 H new ATOM 1874 N LYS A 121 25.398 -15.797 -7.623 1.00 0.00 N ATOM 1875 CA LYS A 121 26.390 -16.587 -8.342 1.00 0.00 C ATOM 1876 C LYS A 121 26.176 -18.079 -8.104 1.00 0.00 C ATOM 1877 O LYS A 121 25.307 -18.475 -7.327 1.00 0.00 O ATOM 1878 CB LYS A 121 27.803 -16.188 -7.908 1.00 0.00 C ATOM 1879 CG LYS A 121 28.092 -16.476 -6.444 1.00 0.00 C ATOM 1880 CD LYS A 121 28.638 -17.881 -6.250 1.00 0.00 C ATOM 1881 CE LYS A 121 28.941 -18.165 -4.787 1.00 0.00 C ATOM 1882 NZ LYS A 121 29.198 -19.611 -4.544 1.00 0.00 N ATOM 0 H LYS A 121 25.375 -15.964 -6.617 1.00 0.00 H new ATOM 0 HA LYS A 121 26.273 -16.387 -9.407 1.00 0.00 H new ATOM 0 HB2 LYS A 121 28.528 -16.720 -8.525 1.00 0.00 H new ATOM 0 HB3 LYS A 121 27.945 -15.124 -8.096 1.00 0.00 H new ATOM 0 HG2 LYS A 121 28.810 -15.750 -6.064 1.00 0.00 H new ATOM 0 HG3 LYS A 121 27.179 -16.356 -5.861 1.00 0.00 H new ATOM 0 HD2 LYS A 121 27.915 -18.608 -6.620 1.00 0.00 H new ATOM 0 HD3 LYS A 121 29.545 -18.005 -6.841 1.00 0.00 H new ATOM 0 HE2 LYS A 121 29.810 -17.585 -4.477 1.00 0.00 H new ATOM 0 HE3 LYS A 121 28.103 -17.837 -4.172 1.00 0.00 H new ATOM 0 HZ1 LYS A 121 28.409 -20.017 -4.002 1.00 0.00 H new ATOM 0 HZ2 LYS A 121 29.284 -20.106 -5.455 1.00 0.00 H new ATOM 0 HZ3 LYS A 121 30.081 -19.721 -4.006 1.00 0.00 H new ATOM 1896 N SER A 122 26.975 -18.902 -8.775 1.00 0.00 N ATOM 1897 CA SER A 122 26.871 -20.349 -8.638 1.00 0.00 C ATOM 1898 C SER A 122 27.806 -20.860 -7.545 1.00 0.00 C ATOM 1899 O SER A 122 28.928 -20.379 -7.399 1.00 0.00 O ATOM 1900 CB SER A 122 27.199 -21.034 -9.966 1.00 0.00 C ATOM 1901 OG SER A 122 28.598 -21.071 -10.189 1.00 0.00 O ATOM 0 H SER A 122 27.702 -18.591 -9.419 1.00 0.00 H new ATOM 0 HA SER A 122 25.846 -20.589 -8.357 1.00 0.00 H new ATOM 0 HB2 SER A 122 26.801 -22.049 -9.963 1.00 0.00 H new ATOM 0 HB3 SER A 122 26.711 -20.502 -10.783 1.00 0.00 H new ATOM 0 HG SER A 122 28.781 -21.515 -11.043 1.00 0.00 H new ATOM 1907 N GLY A 123 27.331 -21.839 -6.780 1.00 0.00 N ATOM 1908 CA GLY A 123 28.136 -22.399 -5.710 1.00 0.00 C ATOM 1909 C GLY A 123 27.896 -23.884 -5.519 1.00 0.00 C ATOM 1910 O GLY A 123 27.105 -24.303 -4.673 1.00 0.00 O ATOM 0 H GLY A 123 26.405 -22.253 -6.882 1.00 0.00 H new ATOM 0 HA2 GLY A 123 29.191 -22.230 -5.926 1.00 0.00 H new ATOM 0 HA3 GLY A 123 27.913 -21.876 -4.780 1.00 0.00 H new ATOM 1914 N PRO A 124 28.587 -24.706 -6.321 1.00 0.00 N ATOM 1915 CA PRO A 124 28.459 -26.166 -6.257 1.00 0.00 C ATOM 1916 C PRO A 124 29.062 -26.744 -4.981 1.00 0.00 C ATOM 1917 O PRO A 124 30.166 -26.376 -4.582 1.00 0.00 O ATOM 1918 CB PRO A 124 29.242 -26.645 -7.483 1.00 0.00 C ATOM 1919 CG PRO A 124 30.224 -25.557 -7.753 1.00 0.00 C ATOM 1920 CD PRO A 124 29.545 -24.277 -7.353 1.00 0.00 C ATOM 0 HA PRO A 124 27.417 -26.484 -6.249 1.00 0.00 H new ATOM 0 HB2 PRO A 124 29.744 -27.592 -7.287 1.00 0.00 H new ATOM 0 HB3 PRO A 124 28.583 -26.804 -8.336 1.00 0.00 H new ATOM 0 HG2 PRO A 124 31.140 -25.708 -7.182 1.00 0.00 H new ATOM 0 HG3 PRO A 124 30.505 -25.537 -8.806 1.00 0.00 H new ATOM 0 HD2 PRO A 124 30.257 -23.550 -6.963 1.00 0.00 H new ATOM 0 HD3 PRO A 124 29.041 -23.808 -8.198 1.00 0.00 H new ATOM 1928 N SER A 125 28.329 -27.653 -4.346 1.00 0.00 N ATOM 1929 CA SER A 125 28.790 -28.281 -3.112 1.00 0.00 C ATOM 1930 C SER A 125 29.033 -29.772 -3.320 1.00 0.00 C ATOM 1931 O SER A 125 28.125 -30.515 -3.694 1.00 0.00 O ATOM 1932 CB SER A 125 27.766 -28.071 -1.995 1.00 0.00 C ATOM 1933 OG SER A 125 28.360 -28.244 -0.720 1.00 0.00 O ATOM 0 H SER A 125 27.414 -27.971 -4.665 1.00 0.00 H new ATOM 0 HA SER A 125 29.732 -27.813 -2.825 1.00 0.00 H new ATOM 0 HB2 SER A 125 27.342 -27.070 -2.069 1.00 0.00 H new ATOM 0 HB3 SER A 125 26.943 -28.775 -2.115 1.00 0.00 H new ATOM 0 HG SER A 125 27.686 -28.103 -0.023 1.00 0.00 H new ATOM 1939 N SER A 126 30.267 -30.204 -3.076 1.00 0.00 N ATOM 1940 CA SER A 126 30.632 -31.606 -3.239 1.00 0.00 C ATOM 1941 C SER A 126 30.667 -32.319 -1.890 1.00 0.00 C ATOM 1942 O SER A 126 31.246 -31.820 -0.926 1.00 0.00 O ATOM 1943 CB SER A 126 31.995 -31.723 -3.926 1.00 0.00 C ATOM 1944 OG SER A 126 31.991 -31.066 -5.182 1.00 0.00 O ATOM 0 H SER A 126 31.030 -29.603 -2.765 1.00 0.00 H new ATOM 0 HA SER A 126 29.876 -32.083 -3.863 1.00 0.00 H new ATOM 0 HB2 SER A 126 32.766 -31.290 -3.288 1.00 0.00 H new ATOM 0 HB3 SER A 126 32.248 -32.774 -4.063 1.00 0.00 H new ATOM 0 HG SER A 126 32.873 -31.154 -5.600 1.00 0.00 H new ATOM 1950 N GLY A 127 30.041 -33.491 -1.832 1.00 0.00 N ATOM 1951 CA GLY A 127 30.013 -34.255 -0.598 1.00 0.00 C ATOM 1952 C GLY A 127 30.901 -35.481 -0.654 1.00 0.00 C ATOM 1953 O GLY A 127 31.084 -36.076 -1.717 1.00 0.00 O ATOM 0 H GLY A 127 29.554 -33.924 -2.616 1.00 0.00 H new ATOM 0 HA2 GLY A 127 30.331 -33.618 0.227 1.00 0.00 H new ATOM 0 HA3 GLY A 127 28.988 -34.562 -0.388 1.00 0.00 H new TER 1957 GLY A 127