USER MOD reduce.3.24.130724 H: found=0, std=0, add=756, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 755 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 39 MET CE :methyl 153:sc= -0.303 (180deg=-1.16) USER MOD Set 1.2: A 44 TYR OH : rot 180:sc= 0 USER MOD Set 1.3: A 46 GLN :FLIP amide:sc= -3.45! C(o=-4.8!,f=-3.8!) USER MOD Single : A 3 ASN : amide:sc= -0.445 X(o=-0.44,f=-0.1) USER MOD Single : A 4 GLN : amide:sc= -0.836 X(o=-0.84,f=-0.43) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 HIS : no HE2:sc= -7.66! C(o=-7.7!,f=-11!) USER MOD Single : A 21 GLN : amide:sc= -0.97! X(o=-0.97!,f=-0.92) USER MOD Single : A 24 MET CE :methyl -113:sc= -0.927 (180deg=-4.84!) USER MOD Single : A 26 THR OG1 : rot 71:sc= -0.759 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 MET CE :methyl 170:sc= -9.96! (180deg=-11.1!) USER MOD Single : A 32 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 GLN : amide:sc= -13.8! C(o=-14!,f=-24!) USER MOD Single : A 37 TYR OH : rot 30:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 GLN :FLIP amide:sc= -0.0459 F(o=-3.9!,f=-0.046) USER MOD Single : A 47 GLN :FLIP amide:sc= -3.12! C(o=-5.8!,f=-3.1!) USER MOD Single : A 49 GLN : amide:sc= -0.829 X(o=-0.83,f=-1) USER MOD Single : A 50 HIS : no HE2:sc= -4.31! C(o=-4.3!,f=-9.4!) USER MOD Single : A 51 MET CE :methyl -150:sc= -0.0833 (180deg=-2.34!) USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 CYS SG : rot -27:sc= -5.43! USER MOD Single : A 66 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 180:sc= -0.0921 USER MOD Single : A 71 LYS NZ :NH3+ -171:sc= -0.713 (180deg=-1.01) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 79 MET CE :methyl 180:sc= -0.065 (180deg=-0.065) USER MOD Single : A 82 LYS NZ :NH3+ -139:sc= -1.46 (180deg=-4.05!) USER MOD Single : A 83 ASN : amide:sc= -11.1! C(o=-11!,f=-15!) USER MOD Single : B 120 SER OG : rot 180:sc= 0 USER MOD Single : B 124 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 37 N ASN A 3 7.011 -0.545 -0.740 1.00 0.00 N ATOM 38 CA ASN A 3 7.769 -1.743 -1.086 1.00 0.00 C ATOM 39 C ASN A 3 9.255 -1.546 -0.805 1.00 0.00 C ATOM 40 O ASN A 3 9.688 -0.453 -0.441 1.00 0.00 O ATOM 41 CB ASN A 3 7.559 -2.095 -2.560 1.00 0.00 C ATOM 42 CG ASN A 3 6.891 -3.444 -2.743 1.00 0.00 C ATOM 43 OD1 ASN A 3 7.255 -4.215 -3.631 1.00 0.00 O ATOM 44 ND2 ASN A 3 5.908 -3.736 -1.899 1.00 0.00 N ATOM 0 HA ASN A 3 7.407 -2.564 -0.468 1.00 0.00 H new ATOM 0 HB2 ASN A 3 6.950 -1.324 -3.032 1.00 0.00 H new ATOM 0 HB3 ASN A 3 8.522 -2.097 -3.071 1.00 0.00 H new ATOM 0 HD21 ASN A 3 5.422 -4.630 -1.972 1.00 0.00 H new ATOM 0 HD22 ASN A 3 5.639 -3.067 -1.178 1.00 0.00 H new ATOM 51 N GLN A 4 10.030 -2.612 -0.977 1.00 0.00 N ATOM 52 CA GLN A 4 11.468 -2.556 -0.742 1.00 0.00 C ATOM 53 C GLN A 4 12.166 -1.737 -1.823 1.00 0.00 C ATOM 54 O GLN A 4 11.659 -1.600 -2.937 1.00 0.00 O ATOM 55 CB GLN A 4 12.055 -3.968 -0.698 1.00 0.00 C ATOM 56 CG GLN A 4 11.233 -4.942 0.131 1.00 0.00 C ATOM 57 CD GLN A 4 10.348 -5.831 -0.720 1.00 0.00 C ATOM 58 OE1 GLN A 4 10.835 -6.694 -1.452 1.00 0.00 O ATOM 59 NE2 GLN A 4 9.040 -5.625 -0.629 1.00 0.00 N ATOM 0 H GLN A 4 9.687 -3.524 -1.278 1.00 0.00 H new ATOM 0 HA GLN A 4 11.634 -2.071 0.220 1.00 0.00 H new ATOM 0 HB2 GLN A 4 12.138 -4.350 -1.715 1.00 0.00 H new ATOM 0 HB3 GLN A 4 13.065 -3.920 -0.292 1.00 0.00 H new ATOM 0 HG2 GLN A 4 11.903 -5.564 0.724 1.00 0.00 H new ATOM 0 HG3 GLN A 4 10.613 -4.383 0.832 1.00 0.00 H new ATOM 0 HE21 GLN A 4 8.680 -4.899 -0.010 1.00 0.00 H new ATOM 0 HE22 GLN A 4 8.395 -6.193 -1.178 1.00 0.00 H new ATOM 68 N VAL A 5 13.331 -1.193 -1.487 1.00 0.00 N ATOM 69 CA VAL A 5 14.099 -0.388 -2.430 1.00 0.00 C ATOM 70 C VAL A 5 15.596 -0.622 -2.261 1.00 0.00 C ATOM 71 O VAL A 5 16.039 -1.169 -1.251 1.00 0.00 O ATOM 72 CB VAL A 5 13.803 1.114 -2.256 1.00 0.00 C ATOM 73 CG1 VAL A 5 12.518 1.317 -1.466 1.00 0.00 C ATOM 74 CG2 VAL A 5 14.971 1.812 -1.577 1.00 0.00 C ATOM 0 H VAL A 5 13.764 -1.295 -0.569 1.00 0.00 H new ATOM 0 HA VAL A 5 13.796 -0.698 -3.430 1.00 0.00 H new ATOM 0 HB VAL A 5 13.669 1.557 -3.243 1.00 0.00 H new ATOM 0 HG11 VAL A 5 12.325 2.384 -1.353 1.00 0.00 H new ATOM 0 HG12 VAL A 5 11.687 0.852 -1.997 1.00 0.00 H new ATOM 0 HG13 VAL A 5 12.620 0.861 -0.481 1.00 0.00 H new ATOM 0 HG21 VAL A 5 14.745 2.872 -1.462 1.00 0.00 H new ATOM 0 HG22 VAL A 5 15.139 1.369 -0.596 1.00 0.00 H new ATOM 0 HG23 VAL A 5 15.868 1.696 -2.186 1.00 0.00 H new ATOM 84 N ARG A 6 16.370 -0.204 -3.257 1.00 0.00 N ATOM 85 CA ARG A 6 17.818 -0.369 -3.219 1.00 0.00 C ATOM 86 C ARG A 6 18.523 0.908 -3.667 1.00 0.00 C ATOM 87 O ARG A 6 18.486 1.289 -4.837 1.00 0.00 O ATOM 88 CB ARG A 6 18.243 -1.538 -4.110 1.00 0.00 C ATOM 89 CG ARG A 6 18.069 -2.898 -3.455 1.00 0.00 C ATOM 90 CD ARG A 6 18.329 -4.028 -4.439 1.00 0.00 C ATOM 91 NE ARG A 6 19.469 -4.849 -4.041 1.00 0.00 N ATOM 92 CZ ARG A 6 19.805 -5.983 -4.645 1.00 0.00 C ATOM 93 NH1 ARG A 6 19.092 -6.428 -5.671 1.00 0.00 N ATOM 94 NH2 ARG A 6 20.856 -6.675 -4.224 1.00 0.00 N ATOM 0 H ARG A 6 16.019 0.251 -4.100 1.00 0.00 H new ATOM 0 HA ARG A 6 18.107 -0.581 -2.190 1.00 0.00 H new ATOM 0 HB2 ARG A 6 17.662 -1.511 -5.032 1.00 0.00 H new ATOM 0 HB3 ARG A 6 19.289 -1.410 -4.389 1.00 0.00 H new ATOM 0 HG2 ARG A 6 18.752 -2.986 -2.610 1.00 0.00 H new ATOM 0 HG3 ARG A 6 17.058 -2.985 -3.058 1.00 0.00 H new ATOM 0 HD2 ARG A 6 17.440 -4.654 -4.515 1.00 0.00 H new ATOM 0 HD3 ARG A 6 18.511 -3.611 -5.430 1.00 0.00 H new ATOM 0 HE ARG A 6 20.039 -4.534 -3.256 1.00 0.00 H new ATOM 0 HH11 ARG A 6 18.284 -5.899 -5.998 1.00 0.00 H new ATOM 0 HH12 ARG A 6 19.352 -7.299 -6.133 1.00 0.00 H new ATOM 0 HH21 ARG A 6 21.407 -6.336 -3.435 1.00 0.00 H new ATOM 0 HH22 ARG A 6 21.113 -7.546 -4.689 1.00 0.00 H new ATOM 108 N PRO A 7 19.180 1.587 -2.715 1.00 0.00 N ATOM 109 CA PRO A 7 19.905 2.832 -2.987 1.00 0.00 C ATOM 110 C PRO A 7 21.158 2.601 -3.824 1.00 0.00 C ATOM 111 O PRO A 7 22.116 1.976 -3.368 1.00 0.00 O ATOM 112 CB PRO A 7 20.280 3.336 -1.591 1.00 0.00 C ATOM 113 CG PRO A 7 20.317 2.112 -0.743 1.00 0.00 C ATOM 114 CD PRO A 7 19.266 1.191 -1.299 1.00 0.00 C ATOM 0 HA PRO A 7 19.304 3.537 -3.562 1.00 0.00 H new ATOM 0 HB2 PRO A 7 21.246 3.841 -1.599 1.00 0.00 H new ATOM 0 HB3 PRO A 7 19.548 4.053 -1.219 1.00 0.00 H new ATOM 0 HG2 PRO A 7 21.301 1.645 -0.775 1.00 0.00 H new ATOM 0 HG3 PRO A 7 20.112 2.353 0.300 1.00 0.00 H new ATOM 0 HD2 PRO A 7 19.551 0.144 -1.191 1.00 0.00 H new ATOM 0 HD3 PRO A 7 18.311 1.316 -0.788 1.00 0.00 H new ATOM 122 N LYS A 8 21.146 3.109 -5.052 1.00 0.00 N ATOM 123 CA LYS A 8 22.282 2.960 -5.954 1.00 0.00 C ATOM 124 C LYS A 8 23.519 3.652 -5.389 1.00 0.00 C ATOM 125 O LYS A 8 23.651 3.817 -4.176 1.00 0.00 O ATOM 126 CB LYS A 8 21.945 3.537 -7.331 1.00 0.00 C ATOM 127 CG LYS A 8 20.538 3.211 -7.800 1.00 0.00 C ATOM 128 CD LYS A 8 20.374 3.463 -9.289 1.00 0.00 C ATOM 129 CE LYS A 8 19.494 2.406 -9.940 1.00 0.00 C ATOM 130 NZ LYS A 8 20.057 1.939 -11.237 1.00 0.00 N ATOM 0 H LYS A 8 20.361 3.628 -5.446 1.00 0.00 H new ATOM 0 HA LYS A 8 22.497 1.896 -6.056 1.00 0.00 H new ATOM 0 HB2 LYS A 8 22.067 4.620 -7.302 1.00 0.00 H new ATOM 0 HB3 LYS A 8 22.660 3.155 -8.060 1.00 0.00 H new ATOM 0 HG2 LYS A 8 20.313 2.168 -7.580 1.00 0.00 H new ATOM 0 HG3 LYS A 8 19.820 3.816 -7.246 1.00 0.00 H new ATOM 0 HD2 LYS A 8 19.937 4.449 -9.446 1.00 0.00 H new ATOM 0 HD3 LYS A 8 21.353 3.468 -9.768 1.00 0.00 H new ATOM 0 HE2 LYS A 8 19.385 1.557 -9.265 1.00 0.00 H new ATOM 0 HE3 LYS A 8 18.496 2.814 -10.103 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 19.429 1.220 -11.649 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 20.137 2.744 -11.891 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 20.999 1.527 -11.078 1.00 0.00 H new ATOM 144 N LEU A 9 24.421 4.056 -6.276 1.00 0.00 N ATOM 145 CA LEU A 9 25.648 4.732 -5.867 1.00 0.00 C ATOM 146 C LEU A 9 25.344 6.119 -5.310 1.00 0.00 C ATOM 147 O LEU A 9 25.558 6.402 -4.131 1.00 0.00 O ATOM 148 CB LEU A 9 26.611 4.843 -7.049 1.00 0.00 C ATOM 149 CG LEU A 9 27.619 3.704 -7.204 1.00 0.00 C ATOM 150 CD1 LEU A 9 28.708 4.085 -8.195 1.00 0.00 C ATOM 151 CD2 LEU A 9 28.225 3.341 -5.856 1.00 0.00 C ATOM 0 H LEU A 9 24.326 3.927 -7.283 1.00 0.00 H new ATOM 0 HA LEU A 9 26.116 4.140 -5.081 1.00 0.00 H new ATOM 0 HB2 LEU A 9 26.024 4.909 -7.965 1.00 0.00 H new ATOM 0 HB3 LEU A 9 27.162 5.779 -6.956 1.00 0.00 H new ATOM 0 HG LEU A 9 27.094 2.831 -7.591 1.00 0.00 H new ATOM 0 HD11 LEU A 9 29.416 3.262 -8.292 1.00 0.00 H new ATOM 0 HD12 LEU A 9 28.259 4.294 -9.166 1.00 0.00 H new ATOM 0 HD13 LEU A 9 29.230 4.973 -7.838 1.00 0.00 H new ATOM 0 HD21 LEU A 9 28.940 2.529 -5.985 1.00 0.00 H new ATOM 0 HD22 LEU A 9 28.735 4.210 -5.440 1.00 0.00 H new ATOM 0 HD23 LEU A 9 27.435 3.024 -5.175 1.00 0.00 H new ATOM 163 N PRO A 10 24.832 7.006 -6.176 1.00 0.00 N ATOM 164 CA PRO A 10 24.486 8.378 -5.793 1.00 0.00 C ATOM 165 C PRO A 10 23.274 8.433 -4.869 1.00 0.00 C ATOM 166 O PRO A 10 22.880 9.506 -4.410 1.00 0.00 O ATOM 167 CB PRO A 10 24.169 9.050 -7.131 1.00 0.00 C ATOM 168 CG PRO A 10 23.751 7.935 -8.026 1.00 0.00 C ATOM 169 CD PRO A 10 24.551 6.737 -7.597 1.00 0.00 C ATOM 0 HA PRO A 10 25.289 8.861 -5.237 1.00 0.00 H new ATOM 0 HB2 PRO A 10 23.376 9.790 -7.024 1.00 0.00 H new ATOM 0 HB3 PRO A 10 25.040 9.571 -7.528 1.00 0.00 H new ATOM 0 HG2 PRO A 10 22.682 7.743 -7.936 1.00 0.00 H new ATOM 0 HG3 PRO A 10 23.944 8.180 -9.070 1.00 0.00 H new ATOM 0 HD2 PRO A 10 23.990 5.811 -7.728 1.00 0.00 H new ATOM 0 HD3 PRO A 10 25.469 6.638 -8.177 1.00 0.00 H new ATOM 177 N LEU A 11 22.688 7.272 -4.600 1.00 0.00 N ATOM 178 CA LEU A 11 21.520 7.188 -3.729 1.00 0.00 C ATOM 179 C LEU A 11 21.905 6.660 -2.351 1.00 0.00 C ATOM 180 O LEU A 11 21.256 6.971 -1.352 1.00 0.00 O ATOM 181 CB LEU A 11 20.456 6.285 -4.356 1.00 0.00 C ATOM 182 CG LEU A 11 19.773 6.824 -5.612 1.00 0.00 C ATOM 183 CD1 LEU A 11 18.282 6.522 -5.580 1.00 0.00 C ATOM 184 CD2 LEU A 11 20.013 8.320 -5.750 1.00 0.00 C ATOM 0 H LEU A 11 23.002 6.376 -4.972 1.00 0.00 H new ATOM 0 HA LEU A 11 21.112 8.192 -3.611 1.00 0.00 H new ATOM 0 HB2 LEU A 11 20.918 5.329 -4.600 1.00 0.00 H new ATOM 0 HB3 LEU A 11 19.690 6.086 -3.607 1.00 0.00 H new ATOM 0 HG LEU A 11 20.206 6.326 -6.480 1.00 0.00 H new ATOM 0 HD11 LEU A 11 17.812 6.913 -6.482 1.00 0.00 H new ATOM 0 HD12 LEU A 11 18.130 5.444 -5.530 1.00 0.00 H new ATOM 0 HD13 LEU A 11 17.834 6.992 -4.705 1.00 0.00 H new ATOM 0 HD21 LEU A 11 19.519 8.686 -6.650 1.00 0.00 H new ATOM 0 HD22 LEU A 11 19.608 8.835 -4.879 1.00 0.00 H new ATOM 0 HD23 LEU A 11 21.084 8.512 -5.820 1.00 0.00 H new ATOM 196 N LEU A 12 22.966 5.862 -2.305 1.00 0.00 N ATOM 197 CA LEU A 12 23.440 5.292 -1.048 1.00 0.00 C ATOM 198 C LEU A 12 24.075 6.365 -0.169 1.00 0.00 C ATOM 199 O LEU A 12 23.753 6.484 1.013 1.00 0.00 O ATOM 200 CB LEU A 12 24.451 4.176 -1.321 1.00 0.00 C ATOM 201 CG LEU A 12 24.889 3.356 -0.107 1.00 0.00 C ATOM 202 CD1 LEU A 12 23.712 3.113 0.826 1.00 0.00 C ATOM 203 CD2 LEU A 12 25.503 2.036 -0.548 1.00 0.00 C ATOM 0 H LEU A 12 23.514 5.595 -3.123 1.00 0.00 H new ATOM 0 HA LEU A 12 22.582 4.876 -0.519 1.00 0.00 H new ATOM 0 HB2 LEU A 12 24.022 3.497 -2.058 1.00 0.00 H new ATOM 0 HB3 LEU A 12 25.338 4.619 -1.774 1.00 0.00 H new ATOM 0 HG LEU A 12 25.646 3.922 0.436 1.00 0.00 H new ATOM 0 HD11 LEU A 12 24.043 2.528 1.684 1.00 0.00 H new ATOM 0 HD12 LEU A 12 23.316 4.069 1.169 1.00 0.00 H new ATOM 0 HD13 LEU A 12 22.932 2.568 0.294 1.00 0.00 H new ATOM 0 HD21 LEU A 12 25.809 1.466 0.329 1.00 0.00 H new ATOM 0 HD22 LEU A 12 24.768 1.464 -1.114 1.00 0.00 H new ATOM 0 HD23 LEU A 12 26.373 2.231 -1.175 1.00 0.00 H new ATOM 215 N LYS A 13 24.977 7.145 -0.754 1.00 0.00 N ATOM 216 CA LYS A 13 25.655 8.211 -0.026 1.00 0.00 C ATOM 217 C LYS A 13 24.647 9.162 0.610 1.00 0.00 C ATOM 218 O LYS A 13 24.912 9.752 1.658 1.00 0.00 O ATOM 219 CB LYS A 13 26.583 8.986 -0.964 1.00 0.00 C ATOM 220 CG LYS A 13 26.002 9.206 -2.350 1.00 0.00 C ATOM 221 CD LYS A 13 25.969 10.681 -2.714 1.00 0.00 C ATOM 222 CE LYS A 13 27.152 11.066 -3.590 1.00 0.00 C ATOM 223 NZ LYS A 13 28.417 11.148 -2.809 1.00 0.00 N ATOM 0 H LYS A 13 25.256 7.059 -1.731 1.00 0.00 H new ATOM 0 HA LYS A 13 26.248 7.756 0.767 1.00 0.00 H new ATOM 0 HB2 LYS A 13 26.812 9.954 -0.517 1.00 0.00 H new ATOM 0 HB3 LYS A 13 27.526 8.447 -1.056 1.00 0.00 H new ATOM 0 HG2 LYS A 13 26.596 8.662 -3.085 1.00 0.00 H new ATOM 0 HG3 LYS A 13 24.992 8.798 -2.391 1.00 0.00 H new ATOM 0 HD2 LYS A 13 25.039 10.907 -3.236 1.00 0.00 H new ATOM 0 HD3 LYS A 13 25.978 11.282 -1.804 1.00 0.00 H new ATOM 0 HE2 LYS A 13 27.266 10.334 -4.389 1.00 0.00 H new ATOM 0 HE3 LYS A 13 26.955 12.027 -4.064 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 29.199 11.413 -3.442 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 28.318 11.865 -2.062 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 28.619 10.224 -2.377 1.00 0.00 H new ATOM 237 N ILE A 14 23.491 9.305 -0.029 1.00 0.00 N ATOM 238 CA ILE A 14 22.443 10.183 0.477 1.00 0.00 C ATOM 239 C ILE A 14 21.961 9.729 1.851 1.00 0.00 C ATOM 240 O ILE A 14 21.961 10.504 2.808 1.00 0.00 O ATOM 241 CB ILE A 14 21.240 10.236 -0.484 1.00 0.00 C ATOM 242 CG1 ILE A 14 21.718 10.447 -1.923 1.00 0.00 C ATOM 243 CG2 ILE A 14 20.280 11.341 -0.071 1.00 0.00 C ATOM 244 CD1 ILE A 14 20.628 10.921 -2.858 1.00 0.00 C ATOM 0 H ILE A 14 23.256 8.825 -0.898 1.00 0.00 H new ATOM 0 HA ILE A 14 22.878 11.179 0.558 1.00 0.00 H new ATOM 0 HB ILE A 14 20.711 9.285 -0.433 1.00 0.00 H new ATOM 0 HG12 ILE A 14 22.529 11.175 -1.925 1.00 0.00 H new ATOM 0 HG13 ILE A 14 22.129 9.511 -2.302 1.00 0.00 H new ATOM 0 HG21 ILE A 14 19.436 11.366 -0.760 1.00 0.00 H new ATOM 0 HG22 ILE A 14 19.919 11.150 0.940 1.00 0.00 H new ATOM 0 HG23 ILE A 14 20.797 12.300 -0.096 1.00 0.00 H new ATOM 0 HD11 ILE A 14 21.038 11.049 -3.860 1.00 0.00 H new ATOM 0 HD12 ILE A 14 19.826 10.183 -2.886 1.00 0.00 H new ATOM 0 HD13 ILE A 14 20.233 11.873 -2.503 1.00 0.00 H new ATOM 256 N LEU A 15 21.553 8.468 1.941 1.00 0.00 N ATOM 257 CA LEU A 15 21.070 7.909 3.199 1.00 0.00 C ATOM 258 C LEU A 15 22.215 7.731 4.191 1.00 0.00 C ATOM 259 O LEU A 15 22.041 7.916 5.396 1.00 0.00 O ATOM 260 CB LEU A 15 20.381 6.566 2.952 1.00 0.00 C ATOM 261 CG LEU A 15 19.578 6.451 1.656 1.00 0.00 C ATOM 262 CD1 LEU A 15 18.815 5.137 1.615 1.00 0.00 C ATOM 263 CD2 LEU A 15 18.625 7.629 1.514 1.00 0.00 C ATOM 0 H LEU A 15 21.547 7.814 1.159 1.00 0.00 H new ATOM 0 HA LEU A 15 20.350 8.607 3.625 1.00 0.00 H new ATOM 0 HB2 LEU A 15 21.141 5.785 2.955 1.00 0.00 H new ATOM 0 HB3 LEU A 15 19.713 6.364 3.789 1.00 0.00 H new ATOM 0 HG LEU A 15 20.274 6.469 0.817 1.00 0.00 H new ATOM 0 HD11 LEU A 15 18.250 5.073 0.685 1.00 0.00 H new ATOM 0 HD12 LEU A 15 19.518 4.306 1.670 1.00 0.00 H new ATOM 0 HD13 LEU A 15 18.129 5.088 2.461 1.00 0.00 H new ATOM 0 HD21 LEU A 15 18.061 7.531 0.586 1.00 0.00 H new ATOM 0 HD22 LEU A 15 17.935 7.643 2.358 1.00 0.00 H new ATOM 0 HD23 LEU A 15 19.195 8.558 1.496 1.00 0.00 H new ATOM 275 N HIS A 16 23.387 7.373 3.676 1.00 0.00 N ATOM 276 CA HIS A 16 24.563 7.173 4.516 1.00 0.00 C ATOM 277 C HIS A 16 24.888 8.438 5.306 1.00 0.00 C ATOM 278 O HIS A 16 25.086 8.390 6.519 1.00 0.00 O ATOM 279 CB HIS A 16 25.764 6.769 3.662 1.00 0.00 C ATOM 280 CG HIS A 16 25.852 5.295 3.411 1.00 0.00 C ATOM 281 ND1 HIS A 16 27.049 4.617 3.314 1.00 0.00 N ATOM 282 CD2 HIS A 16 24.881 4.367 3.240 1.00 0.00 C ATOM 283 CE1 HIS A 16 26.811 3.337 3.092 1.00 0.00 C ATOM 284 NE2 HIS A 16 25.503 3.158 3.043 1.00 0.00 N ATOM 0 H HIS A 16 23.548 7.215 2.681 1.00 0.00 H new ATOM 0 HA HIS A 16 24.343 6.372 5.221 1.00 0.00 H new ATOM 0 HB2 HIS A 16 25.711 7.289 2.706 1.00 0.00 H new ATOM 0 HB3 HIS A 16 26.678 7.100 4.155 1.00 0.00 H new ATOM 0 HD1 HIS A 16 27.974 5.038 3.400 1.00 0.00 H new ATOM 0 HD2 HIS A 16 23.816 4.544 3.256 1.00 0.00 H new ATOM 0 HE1 HIS A 16 27.559 2.567 2.971 1.00 0.00 H new ATOM 292 N ALA A 17 24.941 9.568 4.607 1.00 0.00 N ATOM 293 CA ALA A 17 25.241 10.845 5.243 1.00 0.00 C ATOM 294 C ALA A 17 24.134 11.250 6.210 1.00 0.00 C ATOM 295 O ALA A 17 24.307 12.160 7.021 1.00 0.00 O ATOM 296 CB ALA A 17 25.445 11.924 4.190 1.00 0.00 C ATOM 0 H ALA A 17 24.780 9.625 3.601 1.00 0.00 H new ATOM 0 HA ALA A 17 26.163 10.731 5.814 1.00 0.00 H new ATOM 0 HB1 ALA A 17 25.668 12.872 4.679 1.00 0.00 H new ATOM 0 HB2 ALA A 17 26.275 11.646 3.541 1.00 0.00 H new ATOM 0 HB3 ALA A 17 24.538 12.028 3.595 1.00 0.00 H new ATOM 302 N ALA A 18 22.997 10.569 6.120 1.00 0.00 N ATOM 303 CA ALA A 18 21.862 10.857 6.988 1.00 0.00 C ATOM 304 C ALA A 18 21.792 9.868 8.147 1.00 0.00 C ATOM 305 O ALA A 18 20.853 9.893 8.941 1.00 0.00 O ATOM 306 CB ALA A 18 20.567 10.830 6.190 1.00 0.00 C ATOM 0 H ALA A 18 22.837 9.813 5.454 1.00 0.00 H new ATOM 0 HA ALA A 18 21.999 11.855 7.404 1.00 0.00 H new ATOM 0 HB1 ALA A 18 19.728 11.047 6.851 1.00 0.00 H new ATOM 0 HB2 ALA A 18 20.610 11.580 5.401 1.00 0.00 H new ATOM 0 HB3 ALA A 18 20.434 9.844 5.746 1.00 0.00 H new ATOM 312 N GLY A 19 22.793 8.997 8.236 1.00 0.00 N ATOM 313 CA GLY A 19 22.824 8.011 9.301 1.00 0.00 C ATOM 314 C GLY A 19 22.411 6.632 8.827 1.00 0.00 C ATOM 315 O GLY A 19 22.108 5.755 9.636 1.00 0.00 O ATOM 0 H GLY A 19 23.582 8.957 7.591 1.00 0.00 H new ATOM 0 HA2 GLY A 19 23.830 7.962 9.718 1.00 0.00 H new ATOM 0 HA3 GLY A 19 22.161 8.329 10.106 1.00 0.00 H new ATOM 319 N ALA A 20 22.398 6.439 7.512 1.00 0.00 N ATOM 320 CA ALA A 20 22.019 5.157 6.931 1.00 0.00 C ATOM 321 C ALA A 20 23.249 4.312 6.616 1.00 0.00 C ATOM 322 O ALA A 20 24.381 4.783 6.728 1.00 0.00 O ATOM 323 CB ALA A 20 21.188 5.372 5.675 1.00 0.00 C ATOM 0 H ALA A 20 22.646 7.155 6.829 1.00 0.00 H new ATOM 0 HA ALA A 20 21.418 4.618 7.663 1.00 0.00 H new ATOM 0 HB1 ALA A 20 20.912 4.406 5.252 1.00 0.00 H new ATOM 0 HB2 ALA A 20 20.286 5.929 5.927 1.00 0.00 H new ATOM 0 HB3 ALA A 20 21.770 5.935 4.945 1.00 0.00 H new ATOM 329 N GLN A 21 23.018 3.064 6.224 1.00 0.00 N ATOM 330 CA GLN A 21 24.109 2.154 5.894 1.00 0.00 C ATOM 331 C GLN A 21 23.571 0.832 5.357 1.00 0.00 C ATOM 332 O GLN A 21 22.639 0.256 5.916 1.00 0.00 O ATOM 333 CB GLN A 21 24.980 1.900 7.126 1.00 0.00 C ATOM 334 CG GLN A 21 26.471 1.928 6.833 1.00 0.00 C ATOM 335 CD GLN A 21 27.154 3.159 7.398 1.00 0.00 C ATOM 336 OE1 GLN A 21 27.960 3.066 8.323 1.00 0.00 O ATOM 337 NE2 GLN A 21 26.833 4.321 6.842 1.00 0.00 N ATOM 0 H GLN A 21 22.087 2.660 6.127 1.00 0.00 H new ATOM 0 HA GLN A 21 24.716 2.621 5.118 1.00 0.00 H new ATOM 0 HB2 GLN A 21 24.753 2.651 7.882 1.00 0.00 H new ATOM 0 HB3 GLN A 21 24.720 0.931 7.551 1.00 0.00 H new ATOM 0 HG2 GLN A 21 26.936 1.035 7.251 1.00 0.00 H new ATOM 0 HG3 GLN A 21 26.626 1.894 5.755 1.00 0.00 H new ATOM 0 HE21 GLN A 21 26.159 4.351 6.077 1.00 0.00 H new ATOM 0 HE22 GLN A 21 27.260 5.183 7.180 1.00 0.00 H new ATOM 346 N GLY A 22 24.166 0.356 4.267 1.00 0.00 N ATOM 347 CA GLY A 22 23.733 -0.895 3.671 1.00 0.00 C ATOM 348 C GLY A 22 23.414 -0.755 2.196 1.00 0.00 C ATOM 349 O GLY A 22 23.923 0.145 1.528 1.00 0.00 O ATOM 0 H GLY A 22 24.940 0.814 3.786 1.00 0.00 H new ATOM 0 HA2 GLY A 22 24.513 -1.645 3.801 1.00 0.00 H new ATOM 0 HA3 GLY A 22 22.850 -1.258 4.197 1.00 0.00 H new ATOM 353 N GLU A 23 22.571 -1.648 1.687 1.00 0.00 N ATOM 354 CA GLU A 23 22.188 -1.620 0.280 1.00 0.00 C ATOM 355 C GLU A 23 20.726 -2.021 0.106 1.00 0.00 C ATOM 356 O GLU A 23 20.280 -2.316 -1.002 1.00 0.00 O ATOM 357 CB GLU A 23 23.085 -2.555 -0.534 1.00 0.00 C ATOM 358 CG GLU A 23 24.569 -2.288 -0.350 1.00 0.00 C ATOM 359 CD GLU A 23 25.438 -3.351 -0.995 1.00 0.00 C ATOM 360 OE1 GLU A 23 24.886 -4.376 -1.446 1.00 0.00 O ATOM 361 OE2 GLU A 23 26.670 -3.156 -1.050 1.00 0.00 O ATOM 0 H GLU A 23 22.141 -2.399 2.227 1.00 0.00 H new ATOM 0 HA GLU A 23 22.313 -0.600 -0.084 1.00 0.00 H new ATOM 0 HB2 GLU A 23 22.872 -3.586 -0.251 1.00 0.00 H new ATOM 0 HB3 GLU A 23 22.835 -2.456 -1.590 1.00 0.00 H new ATOM 0 HG2 GLU A 23 24.815 -1.315 -0.776 1.00 0.00 H new ATOM 0 HG3 GLU A 23 24.796 -2.236 0.715 1.00 0.00 H new ATOM 368 N MET A 24 19.985 -2.028 1.210 1.00 0.00 N ATOM 369 CA MET A 24 18.574 -2.392 1.179 1.00 0.00 C ATOM 370 C MET A 24 17.766 -1.513 2.129 1.00 0.00 C ATOM 371 O MET A 24 18.147 -1.315 3.283 1.00 0.00 O ATOM 372 CB MET A 24 18.396 -3.864 1.553 1.00 0.00 C ATOM 373 CG MET A 24 19.623 -4.715 1.270 1.00 0.00 C ATOM 374 SD MET A 24 20.884 -4.563 2.550 1.00 0.00 S ATOM 375 CE MET A 24 22.320 -5.201 1.688 1.00 0.00 C ATOM 0 H MET A 24 20.338 -1.786 2.136 1.00 0.00 H new ATOM 0 HA MET A 24 18.206 -2.236 0.165 1.00 0.00 H new ATOM 0 HB2 MET A 24 18.152 -3.934 2.613 1.00 0.00 H new ATOM 0 HB3 MET A 24 17.547 -4.270 1.003 1.00 0.00 H new ATOM 0 HG2 MET A 24 19.324 -5.759 1.183 1.00 0.00 H new ATOM 0 HG3 MET A 24 20.049 -4.424 0.310 1.00 0.00 H new ATOM 0 HE1 MET A 24 22.631 -6.140 2.145 1.00 0.00 H new ATOM 0 HE2 MET A 24 22.070 -5.372 0.641 1.00 0.00 H new ATOM 0 HE3 MET A 24 23.134 -4.479 1.753 1.00 0.00 H new ATOM 385 N PHE A 25 16.648 -0.988 1.637 1.00 0.00 N ATOM 386 CA PHE A 25 15.787 -0.130 2.442 1.00 0.00 C ATOM 387 C PHE A 25 14.391 -0.037 1.834 1.00 0.00 C ATOM 388 O PHE A 25 14.224 -0.113 0.616 1.00 0.00 O ATOM 389 CB PHE A 25 16.397 1.269 2.563 1.00 0.00 C ATOM 390 CG PHE A 25 17.823 1.262 3.032 1.00 0.00 C ATOM 391 CD1 PHE A 25 18.857 1.009 2.145 1.00 0.00 C ATOM 392 CD2 PHE A 25 18.131 1.510 4.360 1.00 0.00 C ATOM 393 CE1 PHE A 25 20.171 1.002 2.574 1.00 0.00 C ATOM 394 CE2 PHE A 25 19.444 1.504 4.795 1.00 0.00 C ATOM 395 CZ PHE A 25 20.465 1.251 3.900 1.00 0.00 C ATOM 0 H PHE A 25 16.318 -1.142 0.684 1.00 0.00 H new ATOM 0 HA PHE A 25 15.703 -0.570 3.436 1.00 0.00 H new ATOM 0 HB2 PHE A 25 16.344 1.765 1.594 1.00 0.00 H new ATOM 0 HB3 PHE A 25 15.798 1.859 3.256 1.00 0.00 H new ATOM 0 HD1 PHE A 25 18.634 0.815 1.106 1.00 0.00 H new ATOM 0 HD2 PHE A 25 17.337 1.710 5.064 1.00 0.00 H new ATOM 0 HE1 PHE A 25 20.967 0.802 1.872 1.00 0.00 H new ATOM 0 HE2 PHE A 25 19.671 1.697 5.833 1.00 0.00 H new ATOM 0 HZ PHE A 25 21.491 1.248 4.237 1.00 0.00 H new ATOM 405 N THR A 26 13.389 0.128 2.692 1.00 0.00 N ATOM 406 CA THR A 26 12.006 0.229 2.242 1.00 0.00 C ATOM 407 C THR A 26 11.586 1.685 2.080 1.00 0.00 C ATOM 408 O THR A 26 12.368 2.600 2.340 1.00 0.00 O ATOM 409 CB THR A 26 11.043 -0.465 3.224 1.00 0.00 C ATOM 410 OG1 THR A 26 11.750 -0.865 4.403 1.00 0.00 O ATOM 411 CG2 THR A 26 10.396 -1.681 2.578 1.00 0.00 C ATOM 0 H THR A 26 13.509 0.195 3.703 1.00 0.00 H new ATOM 0 HA THR A 26 11.951 -0.272 1.276 1.00 0.00 H new ATOM 0 HB THR A 26 10.260 0.244 3.493 1.00 0.00 H new ATOM 0 HG1 THR A 26 11.988 -0.072 4.927 1.00 0.00 H new ATOM 0 HG21 THR A 26 9.720 -2.155 3.290 1.00 0.00 H new ATOM 0 HG22 THR A 26 9.835 -1.370 1.697 1.00 0.00 H new ATOM 0 HG23 THR A 26 11.169 -2.391 2.284 1.00 0.00 H new ATOM 419 N VAL A 27 10.346 1.894 1.649 1.00 0.00 N ATOM 420 CA VAL A 27 9.821 3.241 1.455 1.00 0.00 C ATOM 421 C VAL A 27 9.818 4.024 2.763 1.00 0.00 C ATOM 422 O VAL A 27 10.035 5.236 2.774 1.00 0.00 O ATOM 423 CB VAL A 27 8.390 3.208 0.885 1.00 0.00 C ATOM 424 CG1 VAL A 27 8.087 4.492 0.128 1.00 0.00 C ATOM 425 CG2 VAL A 27 8.201 1.993 -0.011 1.00 0.00 C ATOM 0 H VAL A 27 9.686 1.148 1.428 1.00 0.00 H new ATOM 0 HA VAL A 27 10.478 3.737 0.740 1.00 0.00 H new ATOM 0 HB VAL A 27 7.688 3.130 1.716 1.00 0.00 H new ATOM 0 HG11 VAL A 27 7.072 4.450 -0.267 1.00 0.00 H new ATOM 0 HG12 VAL A 27 8.179 5.343 0.803 1.00 0.00 H new ATOM 0 HG13 VAL A 27 8.793 4.604 -0.695 1.00 0.00 H new ATOM 0 HG21 VAL A 27 7.185 1.986 -0.405 1.00 0.00 H new ATOM 0 HG22 VAL A 27 8.910 2.037 -0.838 1.00 0.00 H new ATOM 0 HG23 VAL A 27 8.373 1.085 0.567 1.00 0.00 H new ATOM 435 N LYS A 28 9.571 3.324 3.865 1.00 0.00 N ATOM 436 CA LYS A 28 9.542 3.952 5.180 1.00 0.00 C ATOM 437 C LYS A 28 10.942 4.372 5.614 1.00 0.00 C ATOM 438 O LYS A 28 11.128 5.444 6.188 1.00 0.00 O ATOM 439 CB LYS A 28 8.942 2.994 6.212 1.00 0.00 C ATOM 440 CG LYS A 28 9.382 1.551 6.030 1.00 0.00 C ATOM 441 CD LYS A 28 8.260 0.693 5.469 1.00 0.00 C ATOM 442 CE LYS A 28 8.638 -0.780 5.457 1.00 0.00 C ATOM 443 NZ LYS A 28 8.480 -1.403 6.801 1.00 0.00 N ATOM 0 H LYS A 28 9.388 2.321 3.873 1.00 0.00 H new ATOM 0 HA LYS A 28 8.919 4.844 5.115 1.00 0.00 H new ATOM 0 HB2 LYS A 28 9.222 3.327 7.211 1.00 0.00 H new ATOM 0 HB3 LYS A 28 7.855 3.044 6.153 1.00 0.00 H new ATOM 0 HG2 LYS A 28 10.240 1.513 5.359 1.00 0.00 H new ATOM 0 HG3 LYS A 28 9.708 1.145 6.988 1.00 0.00 H new ATOM 0 HD2 LYS A 28 7.359 0.834 6.066 1.00 0.00 H new ATOM 0 HD3 LYS A 28 8.024 1.018 4.456 1.00 0.00 H new ATOM 0 HE2 LYS A 28 8.015 -1.309 4.736 1.00 0.00 H new ATOM 0 HE3 LYS A 28 9.671 -0.887 5.126 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 8.747 -2.407 6.752 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 9.093 -0.914 7.484 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 7.489 -1.323 7.106 1.00 0.00 H new ATOM 457 N GLU A 29 11.924 3.519 5.335 1.00 0.00 N ATOM 458 CA GLU A 29 13.307 3.804 5.697 1.00 0.00 C ATOM 459 C GLU A 29 13.856 4.968 4.877 1.00 0.00 C ATOM 460 O GLU A 29 14.566 5.829 5.398 1.00 0.00 O ATOM 461 CB GLU A 29 14.178 2.564 5.488 1.00 0.00 C ATOM 462 CG GLU A 29 14.357 1.726 6.743 1.00 0.00 C ATOM 463 CD GLU A 29 14.973 2.511 7.885 1.00 0.00 C ATOM 464 OE1 GLU A 29 15.364 3.676 7.660 1.00 0.00 O ATOM 465 OE2 GLU A 29 15.063 1.962 9.002 1.00 0.00 O ATOM 0 H GLU A 29 11.787 2.627 4.860 1.00 0.00 H new ATOM 0 HA GLU A 29 13.329 4.082 6.751 1.00 0.00 H new ATOM 0 HB2 GLU A 29 13.733 1.945 4.709 1.00 0.00 H new ATOM 0 HB3 GLU A 29 15.158 2.876 5.127 1.00 0.00 H new ATOM 0 HG2 GLU A 29 13.389 1.336 7.056 1.00 0.00 H new ATOM 0 HG3 GLU A 29 14.988 0.867 6.515 1.00 0.00 H new ATOM 472 N VAL A 30 13.522 4.987 3.591 1.00 0.00 N ATOM 473 CA VAL A 30 13.979 6.045 2.698 1.00 0.00 C ATOM 474 C VAL A 30 13.346 7.384 3.061 1.00 0.00 C ATOM 475 O VAL A 30 14.036 8.396 3.182 1.00 0.00 O ATOM 476 CB VAL A 30 13.655 5.719 1.228 1.00 0.00 C ATOM 477 CG1 VAL A 30 14.088 6.859 0.319 1.00 0.00 C ATOM 478 CG2 VAL A 30 14.318 4.414 0.814 1.00 0.00 C ATOM 0 H VAL A 30 12.936 4.282 3.144 1.00 0.00 H new ATOM 0 HA VAL A 30 15.060 6.113 2.818 1.00 0.00 H new ATOM 0 HB VAL A 30 12.576 5.599 1.130 1.00 0.00 H new ATOM 0 HG11 VAL A 30 13.851 6.610 -0.715 1.00 0.00 H new ATOM 0 HG12 VAL A 30 13.562 7.770 0.603 1.00 0.00 H new ATOM 0 HG13 VAL A 30 15.162 7.015 0.417 1.00 0.00 H new ATOM 0 HG21 VAL A 30 14.079 4.199 -0.227 1.00 0.00 H new ATOM 0 HG22 VAL A 30 15.398 4.503 0.927 1.00 0.00 H new ATOM 0 HG23 VAL A 30 13.953 3.604 1.445 1.00 0.00 H new ATOM 488 N MET A 31 12.029 7.381 3.235 1.00 0.00 N ATOM 489 CA MET A 31 11.302 8.595 3.587 1.00 0.00 C ATOM 490 C MET A 31 11.850 9.203 4.874 1.00 0.00 C ATOM 491 O MET A 31 11.928 10.424 5.012 1.00 0.00 O ATOM 492 CB MET A 31 9.811 8.295 3.745 1.00 0.00 C ATOM 493 CG MET A 31 9.267 8.626 5.126 1.00 0.00 C ATOM 494 SD MET A 31 9.172 10.401 5.427 1.00 0.00 S ATOM 495 CE MET A 31 8.552 10.980 3.849 1.00 0.00 C ATOM 0 H MET A 31 11.443 6.552 3.138 1.00 0.00 H new ATOM 0 HA MET A 31 11.436 9.315 2.780 1.00 0.00 H new ATOM 0 HB2 MET A 31 9.254 8.861 2.999 1.00 0.00 H new ATOM 0 HB3 MET A 31 9.637 7.239 3.539 1.00 0.00 H new ATOM 0 HG2 MET A 31 8.274 8.189 5.236 1.00 0.00 H new ATOM 0 HG3 MET A 31 9.903 8.166 5.883 1.00 0.00 H new ATOM 0 HE1 MET A 31 8.272 12.030 3.931 1.00 0.00 H new ATOM 0 HE2 MET A 31 9.327 10.870 3.091 1.00 0.00 H new ATOM 0 HE3 MET A 31 7.679 10.393 3.564 1.00 0.00 H new ATOM 505 N HIS A 32 12.229 8.343 5.815 1.00 0.00 N ATOM 506 CA HIS A 32 12.770 8.796 7.091 1.00 0.00 C ATOM 507 C HIS A 32 14.152 9.415 6.907 1.00 0.00 C ATOM 508 O HIS A 32 14.526 10.347 7.618 1.00 0.00 O ATOM 509 CB HIS A 32 12.847 7.631 8.078 1.00 0.00 C ATOM 510 CG HIS A 32 12.808 8.059 9.513 1.00 0.00 C ATOM 511 ND1 HIS A 32 11.840 7.633 10.399 1.00 0.00 N ATOM 512 CD2 HIS A 32 13.626 8.877 10.216 1.00 0.00 C ATOM 513 CE1 HIS A 32 12.064 8.173 11.584 1.00 0.00 C ATOM 514 NE2 HIS A 32 13.142 8.932 11.500 1.00 0.00 N ATOM 0 H HIS A 32 12.171 7.329 5.717 1.00 0.00 H new ATOM 0 HA HIS A 32 12.101 9.558 7.491 1.00 0.00 H new ATOM 0 HB2 HIS A 32 12.018 6.949 7.888 1.00 0.00 H new ATOM 0 HB3 HIS A 32 13.766 7.073 7.898 1.00 0.00 H new ATOM 0 HD2 HIS A 32 14.497 9.391 9.837 1.00 0.00 H new ATOM 0 HE1 HIS A 32 11.467 8.020 12.471 1.00 0.00 H new ATOM 0 HE2 HIS A 32 13.549 9.471 12.264 1.00 0.00 H new ATOM 522 N TYR A 33 14.907 8.889 5.948 1.00 0.00 N ATOM 523 CA TYR A 33 16.249 9.388 5.672 1.00 0.00 C ATOM 524 C TYR A 33 16.194 10.723 4.937 1.00 0.00 C ATOM 525 O TYR A 33 16.988 11.626 5.204 1.00 0.00 O ATOM 526 CB TYR A 33 17.034 8.369 4.844 1.00 0.00 C ATOM 527 CG TYR A 33 17.357 7.098 5.596 1.00 0.00 C ATOM 528 CD1 TYR A 33 17.914 7.143 6.868 1.00 0.00 C ATOM 529 CD2 TYR A 33 17.108 5.852 5.034 1.00 0.00 C ATOM 530 CE1 TYR A 33 18.212 5.984 7.559 1.00 0.00 C ATOM 531 CE2 TYR A 33 17.401 4.688 5.718 1.00 0.00 C ATOM 532 CZ TYR A 33 17.953 4.759 6.979 1.00 0.00 C ATOM 533 OH TYR A 33 18.249 3.602 7.663 1.00 0.00 O ATOM 0 H TYR A 33 14.612 8.118 5.349 1.00 0.00 H new ATOM 0 HA TYR A 33 16.756 9.540 6.625 1.00 0.00 H new ATOM 0 HB2 TYR A 33 16.459 8.118 3.953 1.00 0.00 H new ATOM 0 HB3 TYR A 33 17.963 8.827 4.505 1.00 0.00 H new ATOM 0 HD1 TYR A 33 18.118 8.100 7.325 1.00 0.00 H new ATOM 0 HD2 TYR A 33 16.678 5.792 4.045 1.00 0.00 H new ATOM 0 HE1 TYR A 33 18.645 6.037 8.547 1.00 0.00 H new ATOM 0 HE2 TYR A 33 17.199 3.728 5.267 1.00 0.00 H new ATOM 0 HH TYR A 33 18.005 2.827 7.116 1.00 0.00 H new ATOM 543 N LEU A 34 15.250 10.842 4.010 1.00 0.00 N ATOM 544 CA LEU A 34 15.088 12.068 3.235 1.00 0.00 C ATOM 545 C LEU A 34 15.008 13.284 4.151 1.00 0.00 C ATOM 546 O LEU A 34 15.826 14.199 4.059 1.00 0.00 O ATOM 547 CB LEU A 34 13.831 11.984 2.368 1.00 0.00 C ATOM 548 CG LEU A 34 14.062 11.789 0.869 1.00 0.00 C ATOM 549 CD1 LEU A 34 14.878 12.939 0.300 1.00 0.00 C ATOM 550 CD2 LEU A 34 14.753 10.459 0.604 1.00 0.00 C ATOM 0 H LEU A 34 14.585 10.105 3.776 1.00 0.00 H new ATOM 0 HA LEU A 34 15.960 12.179 2.590 1.00 0.00 H new ATOM 0 HB2 LEU A 34 13.218 11.159 2.731 1.00 0.00 H new ATOM 0 HB3 LEU A 34 13.254 12.897 2.511 1.00 0.00 H new ATOM 0 HG LEU A 34 13.093 11.777 0.370 1.00 0.00 H new ATOM 0 HD11 LEU A 34 15.032 12.783 -0.768 1.00 0.00 H new ATOM 0 HD12 LEU A 34 14.344 13.876 0.456 1.00 0.00 H new ATOM 0 HD13 LEU A 34 15.844 12.984 0.803 1.00 0.00 H new ATOM 0 HD21 LEU A 34 14.909 10.337 -0.468 1.00 0.00 H new ATOM 0 HD22 LEU A 34 15.715 10.441 1.115 1.00 0.00 H new ATOM 0 HD23 LEU A 34 14.130 9.645 0.974 1.00 0.00 H new ATOM 562 N GLY A 35 14.016 13.288 5.037 1.00 0.00 N ATOM 563 CA GLY A 35 13.849 14.396 5.959 1.00 0.00 C ATOM 564 C GLY A 35 15.109 14.689 6.749 1.00 0.00 C ATOM 565 O GLY A 35 15.533 15.839 6.848 1.00 0.00 O ATOM 0 H GLY A 35 13.325 12.544 5.132 1.00 0.00 H new ATOM 0 HA2 GLY A 35 13.558 15.287 5.402 1.00 0.00 H new ATOM 0 HA3 GLY A 35 13.036 14.171 6.649 1.00 0.00 H new ATOM 569 N GLN A 36 15.706 13.645 7.315 1.00 0.00 N ATOM 570 CA GLN A 36 16.924 13.797 8.102 1.00 0.00 C ATOM 571 C GLN A 36 18.056 14.361 7.251 1.00 0.00 C ATOM 572 O GLN A 36 18.862 15.164 7.724 1.00 0.00 O ATOM 573 CB GLN A 36 17.341 12.452 8.700 1.00 0.00 C ATOM 574 CG GLN A 36 18.560 11.840 8.030 1.00 0.00 C ATOM 575 CD GLN A 36 19.850 12.540 8.412 1.00 0.00 C ATOM 576 OE1 GLN A 36 20.395 13.328 7.639 1.00 0.00 O ATOM 577 NE2 GLN A 36 20.345 12.255 9.611 1.00 0.00 N ATOM 0 H GLN A 36 15.366 12.686 7.243 1.00 0.00 H new ATOM 0 HA GLN A 36 16.718 14.498 8.911 1.00 0.00 H new ATOM 0 HB2 GLN A 36 17.549 12.585 9.762 1.00 0.00 H new ATOM 0 HB3 GLN A 36 16.506 11.755 8.623 1.00 0.00 H new ATOM 0 HG2 GLN A 36 18.629 10.787 8.302 1.00 0.00 H new ATOM 0 HG3 GLN A 36 18.435 11.883 6.948 1.00 0.00 H new ATOM 0 HE21 GLN A 36 19.860 11.596 10.219 1.00 0.00 H new ATOM 0 HE22 GLN A 36 21.210 12.696 9.923 1.00 0.00 H new ATOM 586 N TYR A 37 18.112 13.937 5.993 1.00 0.00 N ATOM 587 CA TYR A 37 19.148 14.398 5.076 1.00 0.00 C ATOM 588 C TYR A 37 19.036 15.901 4.839 1.00 0.00 C ATOM 589 O TYR A 37 20.025 16.629 4.922 1.00 0.00 O ATOM 590 CB TYR A 37 19.049 13.651 3.745 1.00 0.00 C ATOM 591 CG TYR A 37 20.018 14.151 2.697 1.00 0.00 C ATOM 592 CD1 TYR A 37 21.375 13.870 2.788 1.00 0.00 C ATOM 593 CD2 TYR A 37 19.576 14.904 1.617 1.00 0.00 C ATOM 594 CE1 TYR A 37 22.265 14.325 1.834 1.00 0.00 C ATOM 595 CE2 TYR A 37 20.457 15.362 0.657 1.00 0.00 C ATOM 596 CZ TYR A 37 21.800 15.070 0.769 1.00 0.00 C ATOM 597 OH TYR A 37 22.682 15.525 -0.184 1.00 0.00 O ATOM 0 H TYR A 37 17.452 13.275 5.585 1.00 0.00 H new ATOM 0 HA TYR A 37 20.118 14.192 5.529 1.00 0.00 H new ATOM 0 HB2 TYR A 37 19.230 12.590 3.919 1.00 0.00 H new ATOM 0 HB3 TYR A 37 18.033 13.742 3.361 1.00 0.00 H new ATOM 0 HD1 TYR A 37 21.741 13.286 3.619 1.00 0.00 H new ATOM 0 HD2 TYR A 37 18.525 15.135 1.526 1.00 0.00 H new ATOM 0 HE1 TYR A 37 23.318 14.099 1.921 1.00 0.00 H new ATOM 0 HE2 TYR A 37 20.096 15.946 -0.177 1.00 0.00 H new ATOM 0 HH TYR A 37 23.433 14.900 -0.259 1.00 0.00 H new ATOM 607 N ILE A 38 17.823 16.358 4.544 1.00 0.00 N ATOM 608 CA ILE A 38 17.580 17.773 4.296 1.00 0.00 C ATOM 609 C ILE A 38 17.931 18.613 5.519 1.00 0.00 C ATOM 610 O ILE A 38 18.575 19.656 5.405 1.00 0.00 O ATOM 611 CB ILE A 38 16.112 18.034 3.912 1.00 0.00 C ATOM 612 CG1 ILE A 38 15.703 17.143 2.737 1.00 0.00 C ATOM 613 CG2 ILE A 38 15.906 19.501 3.568 1.00 0.00 C ATOM 614 CD1 ILE A 38 14.234 17.236 2.390 1.00 0.00 C ATOM 0 H ILE A 38 16.994 15.768 4.471 1.00 0.00 H new ATOM 0 HA ILE A 38 18.221 18.062 3.463 1.00 0.00 H new ATOM 0 HB ILE A 38 15.480 17.790 4.766 1.00 0.00 H new ATOM 0 HG12 ILE A 38 16.293 17.416 1.862 1.00 0.00 H new ATOM 0 HG13 ILE A 38 15.947 16.108 2.975 1.00 0.00 H new ATOM 0 HG21 ILE A 38 14.863 19.669 3.299 1.00 0.00 H new ATOM 0 HG22 ILE A 38 16.162 20.116 4.431 1.00 0.00 H new ATOM 0 HG23 ILE A 38 16.546 19.771 2.728 1.00 0.00 H new ATOM 0 HD11 ILE A 38 14.017 16.578 1.549 1.00 0.00 H new ATOM 0 HD12 ILE A 38 13.637 16.934 3.251 1.00 0.00 H new ATOM 0 HD13 ILE A 38 13.988 18.263 2.120 1.00 0.00 H new ATOM 626 N MET A 39 17.504 18.151 6.690 1.00 0.00 N ATOM 627 CA MET A 39 17.776 18.859 7.936 1.00 0.00 C ATOM 628 C MET A 39 19.269 18.853 8.250 1.00 0.00 C ATOM 629 O MET A 39 19.795 19.802 8.832 1.00 0.00 O ATOM 630 CB MET A 39 16.998 18.223 9.089 1.00 0.00 C ATOM 631 CG MET A 39 17.882 17.503 10.095 1.00 0.00 C ATOM 632 SD MET A 39 18.723 18.636 11.216 1.00 0.00 S ATOM 633 CE MET A 39 17.326 19.393 12.044 1.00 0.00 C ATOM 0 H MET A 39 16.969 17.290 6.802 1.00 0.00 H new ATOM 0 HA MET A 39 17.452 19.893 7.816 1.00 0.00 H new ATOM 0 HB2 MET A 39 16.431 18.998 9.605 1.00 0.00 H new ATOM 0 HB3 MET A 39 16.275 17.516 8.682 1.00 0.00 H new ATOM 0 HG2 MET A 39 17.274 16.808 10.675 1.00 0.00 H new ATOM 0 HG3 MET A 39 18.624 16.909 9.561 1.00 0.00 H new ATOM 0 HE1 MET A 39 17.628 19.726 13.037 1.00 0.00 H new ATOM 0 HE2 MET A 39 16.980 20.249 11.465 1.00 0.00 H new ATOM 0 HE3 MET A 39 16.519 18.666 12.135 1.00 0.00 H new ATOM 643 N VAL A 40 19.947 17.778 7.861 1.00 0.00 N ATOM 644 CA VAL A 40 21.379 17.649 8.101 1.00 0.00 C ATOM 645 C VAL A 40 22.172 18.613 7.226 1.00 0.00 C ATOM 646 O VAL A 40 23.155 19.206 7.669 1.00 0.00 O ATOM 647 CB VAL A 40 21.866 16.212 7.833 1.00 0.00 C ATOM 648 CG1 VAL A 40 22.684 16.155 6.552 1.00 0.00 C ATOM 649 CG2 VAL A 40 22.673 15.695 9.015 1.00 0.00 C ATOM 0 H VAL A 40 19.527 16.984 7.378 1.00 0.00 H new ATOM 0 HA VAL A 40 21.547 17.892 9.150 1.00 0.00 H new ATOM 0 HB VAL A 40 20.995 15.569 7.707 1.00 0.00 H new ATOM 0 HG11 VAL A 40 23.019 15.132 6.380 1.00 0.00 H new ATOM 0 HG12 VAL A 40 22.070 16.482 5.713 1.00 0.00 H new ATOM 0 HG13 VAL A 40 23.550 16.810 6.644 1.00 0.00 H new ATOM 0 HG21 VAL A 40 23.009 14.679 8.809 1.00 0.00 H new ATOM 0 HG22 VAL A 40 23.538 16.338 9.174 1.00 0.00 H new ATOM 0 HG23 VAL A 40 22.050 15.697 9.910 1.00 0.00 H new ATOM 659 N LYS A 41 21.736 18.767 5.979 1.00 0.00 N ATOM 660 CA LYS A 41 22.403 19.661 5.040 1.00 0.00 C ATOM 661 C LYS A 41 21.865 21.083 5.168 1.00 0.00 C ATOM 662 O LYS A 41 22.475 22.032 4.676 1.00 0.00 O ATOM 663 CB LYS A 41 22.216 19.160 3.607 1.00 0.00 C ATOM 664 CG LYS A 41 23.253 18.135 3.180 1.00 0.00 C ATOM 665 CD LYS A 41 24.665 18.672 3.338 1.00 0.00 C ATOM 666 CE LYS A 41 25.387 18.010 4.502 1.00 0.00 C ATOM 667 NZ LYS A 41 26.863 18.004 4.308 1.00 0.00 N ATOM 0 H LYS A 41 20.923 18.284 5.596 1.00 0.00 H new ATOM 0 HA LYS A 41 23.467 19.671 5.278 1.00 0.00 H new ATOM 0 HB2 LYS A 41 21.223 18.721 3.511 1.00 0.00 H new ATOM 0 HB3 LYS A 41 22.256 20.010 2.926 1.00 0.00 H new ATOM 0 HG2 LYS A 41 23.138 17.230 3.776 1.00 0.00 H new ATOM 0 HG3 LYS A 41 23.083 17.856 2.140 1.00 0.00 H new ATOM 0 HD2 LYS A 41 25.225 18.503 2.418 1.00 0.00 H new ATOM 0 HD3 LYS A 41 24.630 19.750 3.496 1.00 0.00 H new ATOM 0 HE2 LYS A 41 25.144 18.535 5.426 1.00 0.00 H new ATOM 0 HE3 LYS A 41 25.031 16.986 4.615 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 27.318 17.544 5.122 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 27.097 17.481 3.440 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 27.206 18.982 4.226 1.00 0.00 H new ATOM 681 N GLN A 42 20.722 21.221 5.831 1.00 0.00 N ATOM 682 CA GLN A 42 20.104 22.527 6.022 1.00 0.00 C ATOM 683 C GLN A 42 19.616 23.099 4.695 1.00 0.00 C ATOM 684 O GLN A 42 20.145 24.097 4.205 1.00 0.00 O ATOM 685 CB GLN A 42 21.095 23.494 6.673 1.00 0.00 C ATOM 686 CG GLN A 42 20.848 23.710 8.158 1.00 0.00 C ATOM 687 CD GLN A 42 21.667 22.776 9.028 1.00 0.00 C ATOM 688 OE1 GLN A 42 21.872 21.553 8.554 1.00 0.00 O flip ATOM 689 NE2 GLN A 42 22.110 23.150 10.114 1.00 0.00 N flip ATOM 0 H GLN A 42 20.205 20.445 6.245 1.00 0.00 H new ATOM 0 HA GLN A 42 19.244 22.400 6.680 1.00 0.00 H new ATOM 0 HB2 GLN A 42 22.107 23.113 6.533 1.00 0.00 H new ATOM 0 HB3 GLN A 42 21.042 24.455 6.161 1.00 0.00 H new ATOM 0 HG2 GLN A 42 21.086 24.742 8.416 1.00 0.00 H new ATOM 0 HG3 GLN A 42 19.789 23.564 8.371 1.00 0.00 H new ATOM 0 HE21 GLN A 42 21.928 24.099 10.439 1.00 0.00 H new ATOM 0 HE22 GLN A 42 22.659 22.510 10.688 1.00 0.00 H new ATOM 698 N LEU A 43 18.604 22.459 4.118 1.00 0.00 N ATOM 699 CA LEU A 43 18.044 22.904 2.846 1.00 0.00 C ATOM 700 C LEU A 43 16.531 23.070 2.946 1.00 0.00 C ATOM 701 O LEU A 43 15.774 22.362 2.282 1.00 0.00 O ATOM 702 CB LEU A 43 18.388 21.906 1.739 1.00 0.00 C ATOM 703 CG LEU A 43 19.875 21.724 1.437 1.00 0.00 C ATOM 704 CD1 LEU A 43 20.132 20.359 0.819 1.00 0.00 C ATOM 705 CD2 LEU A 43 20.372 22.830 0.516 1.00 0.00 C ATOM 0 H LEU A 43 18.155 21.631 4.510 1.00 0.00 H new ATOM 0 HA LEU A 43 18.481 23.872 2.602 1.00 0.00 H new ATOM 0 HB2 LEU A 43 17.972 20.936 2.010 1.00 0.00 H new ATOM 0 HB3 LEU A 43 17.888 22.223 0.824 1.00 0.00 H new ATOM 0 HG LEU A 43 20.426 21.784 2.376 1.00 0.00 H new ATOM 0 HD11 LEU A 43 21.196 20.248 0.611 1.00 0.00 H new ATOM 0 HD12 LEU A 43 19.815 19.580 1.512 1.00 0.00 H new ATOM 0 HD13 LEU A 43 19.570 20.269 -0.110 1.00 0.00 H new ATOM 0 HD21 LEU A 43 21.433 22.684 0.312 1.00 0.00 H new ATOM 0 HD22 LEU A 43 19.815 22.801 -0.420 1.00 0.00 H new ATOM 0 HD23 LEU A 43 20.225 23.797 0.996 1.00 0.00 H new ATOM 717 N TYR A 44 16.098 24.010 3.778 1.00 0.00 N ATOM 718 CA TYR A 44 14.675 24.269 3.965 1.00 0.00 C ATOM 719 C TYR A 44 14.454 25.583 4.708 1.00 0.00 C ATOM 720 O TYR A 44 15.372 26.122 5.325 1.00 0.00 O ATOM 721 CB TYR A 44 14.023 23.119 4.733 1.00 0.00 C ATOM 722 CG TYR A 44 14.636 22.874 6.093 1.00 0.00 C ATOM 723 CD1 TYR A 44 15.947 22.429 6.215 1.00 0.00 C ATOM 724 CD2 TYR A 44 13.905 23.085 7.255 1.00 0.00 C ATOM 725 CE1 TYR A 44 16.512 22.203 7.455 1.00 0.00 C ATOM 726 CE2 TYR A 44 14.463 22.863 8.499 1.00 0.00 C ATOM 727 CZ TYR A 44 15.766 22.422 8.594 1.00 0.00 C ATOM 728 OH TYR A 44 16.324 22.198 9.832 1.00 0.00 O ATOM 0 H TYR A 44 16.712 24.606 4.334 1.00 0.00 H new ATOM 0 HA TYR A 44 14.213 24.347 2.981 1.00 0.00 H new ATOM 0 HB2 TYR A 44 12.961 23.331 4.856 1.00 0.00 H new ATOM 0 HB3 TYR A 44 14.100 22.208 4.140 1.00 0.00 H new ATOM 0 HD1 TYR A 44 16.534 22.257 5.325 1.00 0.00 H new ATOM 0 HD2 TYR A 44 12.883 23.428 7.185 1.00 0.00 H new ATOM 0 HE1 TYR A 44 17.532 21.857 7.532 1.00 0.00 H new ATOM 0 HE2 TYR A 44 13.882 23.034 9.393 1.00 0.00 H new ATOM 0 HH TYR A 44 15.666 22.401 10.529 1.00 0.00 H new ATOM 738 N ASP A 45 13.228 26.091 4.645 1.00 0.00 N ATOM 739 CA ASP A 45 12.883 27.341 5.313 1.00 0.00 C ATOM 740 C ASP A 45 12.672 27.117 6.808 1.00 0.00 C ATOM 741 O ASP A 45 11.625 26.625 7.229 1.00 0.00 O ATOM 742 CB ASP A 45 11.623 27.945 4.692 1.00 0.00 C ATOM 743 CG ASP A 45 10.989 28.999 5.579 1.00 0.00 C ATOM 744 OD1 ASP A 45 11.701 29.556 6.439 1.00 0.00 O ATOM 745 OD2 ASP A 45 9.780 29.265 5.412 1.00 0.00 O ATOM 0 H ASP A 45 12.457 25.657 4.138 1.00 0.00 H new ATOM 0 HA ASP A 45 13.712 28.036 5.181 1.00 0.00 H new ATOM 0 HB2 ASP A 45 11.873 28.388 3.728 1.00 0.00 H new ATOM 0 HB3 ASP A 45 10.900 27.152 4.501 1.00 0.00 H new ATOM 750 N GLN A 46 13.672 27.481 7.603 1.00 0.00 N ATOM 751 CA GLN A 46 13.596 27.319 9.050 1.00 0.00 C ATOM 752 C GLN A 46 12.255 27.812 9.583 1.00 0.00 C ATOM 753 O GLN A 46 11.744 27.295 10.575 1.00 0.00 O ATOM 754 CB GLN A 46 14.738 28.075 9.730 1.00 0.00 C ATOM 755 CG GLN A 46 15.990 27.235 9.930 1.00 0.00 C ATOM 756 CD GLN A 46 16.227 26.261 8.793 1.00 0.00 C ATOM 757 OE1 GLN A 46 16.378 26.788 7.583 1.00 0.00 O flip ATOM 758 NE2 GLN A 46 16.272 25.048 8.999 1.00 0.00 N flip ATOM 0 H GLN A 46 14.545 27.890 7.270 1.00 0.00 H new ATOM 0 HA GLN A 46 13.688 26.257 9.277 1.00 0.00 H new ATOM 0 HB2 GLN A 46 14.990 28.951 9.132 1.00 0.00 H new ATOM 0 HB3 GLN A 46 14.396 28.439 10.699 1.00 0.00 H new ATOM 0 HG2 GLN A 46 16.853 27.894 10.025 1.00 0.00 H new ATOM 0 HG3 GLN A 46 15.906 26.682 10.866 1.00 0.00 H new ATOM 0 HE21 GLN A 46 16.151 24.687 9.945 1.00 0.00 H new ATOM 0 HE22 GLN A 46 16.431 24.405 8.224 1.00 0.00 H new ATOM 767 N GLN A 47 11.692 28.815 8.917 1.00 0.00 N ATOM 768 CA GLN A 47 10.411 29.379 9.325 1.00 0.00 C ATOM 769 C GLN A 47 9.269 28.415 9.018 1.00 0.00 C ATOM 770 O GLN A 47 8.278 28.360 9.745 1.00 0.00 O ATOM 771 CB GLN A 47 10.170 30.715 8.621 1.00 0.00 C ATOM 772 CG GLN A 47 11.409 31.591 8.537 1.00 0.00 C ATOM 773 CD GLN A 47 12.395 31.316 9.656 1.00 0.00 C ATOM 774 OE1 GLN A 47 13.493 30.646 9.326 1.00 0.00 O flip ATOM 775 NE2 GLN A 47 12.172 31.701 10.804 1.00 0.00 N flip ATOM 0 H GLN A 47 12.103 29.254 8.093 1.00 0.00 H new ATOM 0 HA GLN A 47 10.442 29.545 10.402 1.00 0.00 H new ATOM 0 HB2 GLN A 47 9.802 30.524 7.613 1.00 0.00 H new ATOM 0 HB3 GLN A 47 9.386 31.258 9.149 1.00 0.00 H new ATOM 0 HG2 GLN A 47 11.900 31.429 7.577 1.00 0.00 H new ATOM 0 HG3 GLN A 47 11.111 32.639 8.570 1.00 0.00 H new ATOM 0 HE21 GLN A 47 11.315 32.213 11.013 1.00 0.00 H new ATOM 0 HE22 GLN A 47 12.844 31.508 11.546 1.00 0.00 H new ATOM 784 N GLU A 48 9.416 27.658 7.935 1.00 0.00 N ATOM 785 CA GLU A 48 8.396 26.697 7.532 1.00 0.00 C ATOM 786 C GLU A 48 9.028 25.365 7.139 1.00 0.00 C ATOM 787 O GLU A 48 9.418 25.167 5.989 1.00 0.00 O ATOM 788 CB GLU A 48 7.577 27.250 6.363 1.00 0.00 C ATOM 789 CG GLU A 48 6.764 26.192 5.635 1.00 0.00 C ATOM 790 CD GLU A 48 5.793 26.789 4.635 1.00 0.00 C ATOM 791 OE1 GLU A 48 6.255 27.345 3.617 1.00 0.00 O ATOM 792 OE2 GLU A 48 4.570 26.699 4.871 1.00 0.00 O ATOM 0 H GLU A 48 10.230 27.692 7.322 1.00 0.00 H new ATOM 0 HA GLU A 48 7.735 26.529 8.382 1.00 0.00 H new ATOM 0 HB2 GLU A 48 6.903 28.022 6.735 1.00 0.00 H new ATOM 0 HB3 GLU A 48 8.251 27.730 5.654 1.00 0.00 H new ATOM 0 HG2 GLU A 48 7.440 25.512 5.118 1.00 0.00 H new ATOM 0 HG3 GLU A 48 6.211 25.599 6.363 1.00 0.00 H new ATOM 799 N GLN A 49 9.126 24.456 8.104 1.00 0.00 N ATOM 800 CA GLN A 49 9.711 23.143 7.859 1.00 0.00 C ATOM 801 C GLN A 49 9.004 22.437 6.707 1.00 0.00 C ATOM 802 O GLN A 49 9.619 21.676 5.960 1.00 0.00 O ATOM 803 CB GLN A 49 9.636 22.284 9.123 1.00 0.00 C ATOM 804 CG GLN A 49 10.447 22.837 10.283 1.00 0.00 C ATOM 805 CD GLN A 49 9.663 23.826 11.124 1.00 0.00 C ATOM 806 OE1 GLN A 49 8.629 23.486 11.700 1.00 0.00 O ATOM 807 NE2 GLN A 49 10.152 25.058 11.199 1.00 0.00 N ATOM 0 H GLN A 49 8.808 24.605 9.062 1.00 0.00 H new ATOM 0 HA GLN A 49 10.757 23.285 7.586 1.00 0.00 H new ATOM 0 HB2 GLN A 49 8.594 22.194 9.430 1.00 0.00 H new ATOM 0 HB3 GLN A 49 9.988 21.279 8.891 1.00 0.00 H new ATOM 0 HG2 GLN A 49 10.780 22.013 10.914 1.00 0.00 H new ATOM 0 HG3 GLN A 49 11.342 23.324 9.896 1.00 0.00 H new ATOM 0 HE21 GLN A 49 11.012 25.296 10.705 1.00 0.00 H new ATOM 0 HE22 GLN A 49 9.667 25.766 11.750 1.00 0.00 H new ATOM 816 N HIS A 50 7.707 22.694 6.569 1.00 0.00 N ATOM 817 CA HIS A 50 6.915 22.083 5.508 1.00 0.00 C ATOM 818 C HIS A 50 7.383 22.561 4.137 1.00 0.00 C ATOM 819 O HIS A 50 6.964 22.032 3.108 1.00 0.00 O ATOM 820 CB HIS A 50 5.433 22.410 5.696 1.00 0.00 C ATOM 821 CG HIS A 50 4.762 22.889 4.445 1.00 0.00 C ATOM 822 ND1 HIS A 50 4.335 24.188 4.271 1.00 0.00 N ATOM 823 CD2 HIS A 50 4.446 22.234 3.303 1.00 0.00 C ATOM 824 CE1 HIS A 50 3.784 24.312 3.077 1.00 0.00 C ATOM 825 NE2 HIS A 50 3.840 23.140 2.469 1.00 0.00 N ATOM 0 H HIS A 50 7.182 23.321 7.179 1.00 0.00 H new ATOM 0 HA HIS A 50 7.051 21.003 5.563 1.00 0.00 H new ATOM 0 HB2 HIS A 50 4.916 21.521 6.058 1.00 0.00 H new ATOM 0 HB3 HIS A 50 5.333 23.173 6.467 1.00 0.00 H new ATOM 0 HD1 HIS A 50 4.430 24.937 4.957 1.00 0.00 H new ATOM 0 HD2 HIS A 50 4.635 21.193 3.088 1.00 0.00 H new ATOM 0 HE1 HIS A 50 3.360 25.217 2.667 1.00 0.00 H new ATOM 833 N MET A 51 8.254 23.565 4.131 1.00 0.00 N ATOM 834 CA MET A 51 8.779 24.114 2.886 1.00 0.00 C ATOM 835 C MET A 51 10.269 23.816 2.746 1.00 0.00 C ATOM 836 O MET A 51 11.102 24.448 3.396 1.00 0.00 O ATOM 837 CB MET A 51 8.542 25.624 2.829 1.00 0.00 C ATOM 838 CG MET A 51 9.327 26.322 1.731 1.00 0.00 C ATOM 839 SD MET A 51 8.361 26.556 0.227 1.00 0.00 S ATOM 840 CE MET A 51 8.335 24.887 -0.422 1.00 0.00 C ATOM 0 H MET A 51 8.611 24.015 4.974 1.00 0.00 H new ATOM 0 HA MET A 51 8.252 23.639 2.058 1.00 0.00 H new ATOM 0 HB2 MET A 51 7.479 25.811 2.679 1.00 0.00 H new ATOM 0 HB3 MET A 51 8.810 26.062 3.790 1.00 0.00 H new ATOM 0 HG2 MET A 51 9.668 27.292 2.094 1.00 0.00 H new ATOM 0 HG3 MET A 51 10.217 25.738 1.499 1.00 0.00 H new ATOM 0 HE1 MET A 51 8.278 24.921 -1.510 1.00 0.00 H new ATOM 0 HE2 MET A 51 9.244 24.366 -0.122 1.00 0.00 H new ATOM 0 HE3 MET A 51 7.467 24.357 -0.029 1.00 0.00 H new ATOM 850 N VAL A 52 10.597 22.850 1.895 1.00 0.00 N ATOM 851 CA VAL A 52 11.986 22.469 1.669 1.00 0.00 C ATOM 852 C VAL A 52 12.617 23.317 0.571 1.00 0.00 C ATOM 853 O VAL A 52 11.939 23.750 -0.360 1.00 0.00 O ATOM 854 CB VAL A 52 12.105 20.982 1.286 1.00 0.00 C ATOM 855 CG1 VAL A 52 13.504 20.672 0.775 1.00 0.00 C ATOM 856 CG2 VAL A 52 11.754 20.096 2.473 1.00 0.00 C ATOM 0 H VAL A 52 9.920 22.316 1.350 1.00 0.00 H new ATOM 0 HA VAL A 52 12.517 22.639 2.606 1.00 0.00 H new ATOM 0 HB VAL A 52 11.397 20.774 0.484 1.00 0.00 H new ATOM 0 HG11 VAL A 52 13.569 19.617 0.509 1.00 0.00 H new ATOM 0 HG12 VAL A 52 13.713 21.281 -0.104 1.00 0.00 H new ATOM 0 HG13 VAL A 52 14.234 20.896 1.553 1.00 0.00 H new ATOM 0 HG21 VAL A 52 11.843 19.049 2.184 1.00 0.00 H new ATOM 0 HG22 VAL A 52 12.436 20.305 3.297 1.00 0.00 H new ATOM 0 HG23 VAL A 52 10.731 20.299 2.789 1.00 0.00 H new ATOM 866 N TYR A 53 13.920 23.550 0.687 1.00 0.00 N ATOM 867 CA TYR A 53 14.643 24.349 -0.295 1.00 0.00 C ATOM 868 C TYR A 53 15.743 23.528 -0.961 1.00 0.00 C ATOM 869 O TYR A 53 16.910 23.603 -0.574 1.00 0.00 O ATOM 870 CB TYR A 53 15.247 25.587 0.369 1.00 0.00 C ATOM 871 CG TYR A 53 14.359 26.809 0.293 1.00 0.00 C ATOM 872 CD1 TYR A 53 12.976 26.691 0.350 1.00 0.00 C ATOM 873 CD2 TYR A 53 14.903 28.081 0.163 1.00 0.00 C ATOM 874 CE1 TYR A 53 12.160 27.803 0.280 1.00 0.00 C ATOM 875 CE2 TYR A 53 14.095 29.199 0.094 1.00 0.00 C ATOM 876 CZ TYR A 53 12.725 29.055 0.153 1.00 0.00 C ATOM 877 OH TYR A 53 11.916 30.167 0.083 1.00 0.00 O ATOM 0 H TYR A 53 14.497 23.197 1.451 1.00 0.00 H new ATOM 0 HA TYR A 53 13.935 24.665 -1.061 1.00 0.00 H new ATOM 0 HB2 TYR A 53 15.454 25.363 1.415 1.00 0.00 H new ATOM 0 HB3 TYR A 53 16.203 25.813 -0.104 1.00 0.00 H new ATOM 0 HD1 TYR A 53 12.531 25.712 0.451 1.00 0.00 H new ATOM 0 HD2 TYR A 53 15.976 28.197 0.115 1.00 0.00 H new ATOM 0 HE1 TYR A 53 11.087 27.693 0.324 1.00 0.00 H new ATOM 0 HE2 TYR A 53 14.534 30.181 -0.006 1.00 0.00 H new ATOM 0 HH TYR A 53 12.471 30.970 -0.004 1.00 0.00 H new ATOM 887 N CYS A 54 15.363 22.745 -1.964 1.00 0.00 N ATOM 888 CA CYS A 54 16.316 21.909 -2.686 1.00 0.00 C ATOM 889 C CYS A 54 17.442 22.752 -3.276 1.00 0.00 C ATOM 890 O CYS A 54 18.558 22.271 -3.465 1.00 0.00 O ATOM 891 CB CYS A 54 15.607 21.134 -3.797 1.00 0.00 C ATOM 892 SG CYS A 54 15.350 22.085 -5.313 1.00 0.00 S ATOM 0 H CYS A 54 14.401 22.671 -2.296 1.00 0.00 H new ATOM 0 HA CYS A 54 16.749 21.202 -1.979 1.00 0.00 H new ATOM 0 HB2 CYS A 54 16.190 20.244 -4.034 1.00 0.00 H new ATOM 0 HB3 CYS A 54 14.640 20.792 -3.427 1.00 0.00 H new ATOM 0 HG CYS A 54 15.280 23.351 -5.025 1.00 0.00 H new ATOM 898 N GLY A 55 17.139 24.014 -3.566 1.00 0.00 N ATOM 899 CA GLY A 55 18.135 24.903 -4.134 1.00 0.00 C ATOM 900 C GLY A 55 18.857 24.287 -5.316 1.00 0.00 C ATOM 901 O GLY A 55 18.403 24.395 -6.454 1.00 0.00 O ATOM 0 H GLY A 55 16.222 24.436 -3.418 1.00 0.00 H new ATOM 0 HA2 GLY A 55 17.654 25.829 -4.449 1.00 0.00 H new ATOM 0 HA3 GLY A 55 18.862 25.167 -3.366 1.00 0.00 H new ATOM 905 N GLY A 56 19.987 23.640 -5.046 1.00 0.00 N ATOM 906 CA GLY A 56 20.755 23.015 -6.107 1.00 0.00 C ATOM 907 C GLY A 56 21.582 21.845 -5.612 1.00 0.00 C ATOM 908 O GLY A 56 22.577 21.472 -6.235 1.00 0.00 O ATOM 0 H GLY A 56 20.384 23.538 -4.112 1.00 0.00 H new ATOM 0 HA2 GLY A 56 20.077 22.672 -6.888 1.00 0.00 H new ATOM 0 HA3 GLY A 56 21.414 23.756 -6.559 1.00 0.00 H new ATOM 912 N ASP A 57 21.172 21.266 -4.489 1.00 0.00 N ATOM 913 CA ASP A 57 21.882 20.132 -3.911 1.00 0.00 C ATOM 914 C ASP A 57 21.507 18.835 -4.622 1.00 0.00 C ATOM 915 O ASP A 57 20.791 18.849 -5.624 1.00 0.00 O ATOM 916 CB ASP A 57 21.573 20.017 -2.417 1.00 0.00 C ATOM 917 CG ASP A 57 22.822 19.823 -1.581 1.00 0.00 C ATOM 918 OD1 ASP A 57 23.580 18.869 -1.857 1.00 0.00 O ATOM 919 OD2 ASP A 57 23.043 20.625 -0.650 1.00 0.00 O ATOM 0 H ASP A 57 20.352 21.564 -3.961 1.00 0.00 H new ATOM 0 HA ASP A 57 22.951 20.300 -4.041 1.00 0.00 H new ATOM 0 HB2 ASP A 57 21.054 20.916 -2.086 1.00 0.00 H new ATOM 0 HB3 ASP A 57 20.895 19.179 -2.253 1.00 0.00 H new ATOM 924 N LEU A 58 21.995 17.716 -4.098 1.00 0.00 N ATOM 925 CA LEU A 58 21.711 16.410 -4.683 1.00 0.00 C ATOM 926 C LEU A 58 20.226 16.265 -4.997 1.00 0.00 C ATOM 927 O LEU A 58 19.846 15.977 -6.133 1.00 0.00 O ATOM 928 CB LEU A 58 22.154 15.297 -3.732 1.00 0.00 C ATOM 929 CG LEU A 58 23.455 14.581 -4.096 1.00 0.00 C ATOM 930 CD1 LEU A 58 23.474 14.228 -5.575 1.00 0.00 C ATOM 931 CD2 LEU A 58 24.657 15.443 -3.736 1.00 0.00 C ATOM 0 H LEU A 58 22.589 17.687 -3.269 1.00 0.00 H new ATOM 0 HA LEU A 58 22.270 16.327 -5.615 1.00 0.00 H new ATOM 0 HB2 LEU A 58 22.263 15.721 -2.734 1.00 0.00 H new ATOM 0 HB3 LEU A 58 21.357 14.555 -3.677 1.00 0.00 H new ATOM 0 HG LEU A 58 23.511 13.656 -3.522 1.00 0.00 H new ATOM 0 HD11 LEU A 58 24.407 13.719 -5.816 1.00 0.00 H new ATOM 0 HD12 LEU A 58 22.634 13.572 -5.803 1.00 0.00 H new ATOM 0 HD13 LEU A 58 23.394 15.139 -6.168 1.00 0.00 H new ATOM 0 HD21 LEU A 58 25.574 14.918 -4.002 1.00 0.00 H new ATOM 0 HD22 LEU A 58 24.606 16.384 -4.283 1.00 0.00 H new ATOM 0 HD23 LEU A 58 24.652 15.645 -2.665 1.00 0.00 H new ATOM 943 N LEU A 59 19.390 16.469 -3.986 1.00 0.00 N ATOM 944 CA LEU A 59 17.944 16.363 -4.154 1.00 0.00 C ATOM 945 C LEU A 59 17.442 17.367 -5.188 1.00 0.00 C ATOM 946 O LEU A 59 16.547 17.066 -5.976 1.00 0.00 O ATOM 947 CB LEU A 59 17.237 16.594 -2.818 1.00 0.00 C ATOM 948 CG LEU A 59 16.756 18.020 -2.550 1.00 0.00 C ATOM 949 CD1 LEU A 59 15.824 18.052 -1.348 1.00 0.00 C ATOM 950 CD2 LEU A 59 17.940 18.951 -2.334 1.00 0.00 C ATOM 0 H LEU A 59 19.688 16.709 -3.040 1.00 0.00 H new ATOM 0 HA LEU A 59 17.717 15.358 -4.509 1.00 0.00 H new ATOM 0 HB2 LEU A 59 16.377 15.926 -2.765 1.00 0.00 H new ATOM 0 HB3 LEU A 59 17.916 16.304 -2.016 1.00 0.00 H new ATOM 0 HG LEU A 59 16.202 18.366 -3.423 1.00 0.00 H new ATOM 0 HD11 LEU A 59 15.492 19.075 -1.172 1.00 0.00 H new ATOM 0 HD12 LEU A 59 14.959 17.418 -1.541 1.00 0.00 H new ATOM 0 HD13 LEU A 59 16.353 17.686 -0.468 1.00 0.00 H new ATOM 0 HD21 LEU A 59 17.578 19.962 -2.145 1.00 0.00 H new ATOM 0 HD22 LEU A 59 18.522 18.607 -1.479 1.00 0.00 H new ATOM 0 HD23 LEU A 59 18.569 18.952 -3.224 1.00 0.00 H new ATOM 962 N GLY A 60 18.027 18.561 -5.179 1.00 0.00 N ATOM 963 CA GLY A 60 17.627 19.590 -6.122 1.00 0.00 C ATOM 964 C GLY A 60 17.809 19.158 -7.563 1.00 0.00 C ATOM 965 O GLY A 60 16.951 19.412 -8.407 1.00 0.00 O ATOM 0 H GLY A 60 18.770 18.834 -4.536 1.00 0.00 H new ATOM 0 HA2 GLY A 60 16.581 19.847 -5.952 1.00 0.00 H new ATOM 0 HA3 GLY A 60 18.211 20.492 -5.940 1.00 0.00 H new ATOM 969 N GLU A 61 18.932 18.505 -7.846 1.00 0.00 N ATOM 970 CA GLU A 61 19.225 18.039 -9.197 1.00 0.00 C ATOM 971 C GLU A 61 18.334 16.858 -9.570 1.00 0.00 C ATOM 972 O GLU A 61 17.755 16.822 -10.656 1.00 0.00 O ATOM 973 CB GLU A 61 20.697 17.640 -9.315 1.00 0.00 C ATOM 974 CG GLU A 61 20.936 16.146 -9.169 1.00 0.00 C ATOM 975 CD GLU A 61 22.393 15.768 -9.354 1.00 0.00 C ATOM 976 OE1 GLU A 61 22.817 15.595 -10.516 1.00 0.00 O ATOM 977 OE2 GLU A 61 23.108 15.643 -8.338 1.00 0.00 O ATOM 0 H GLU A 61 19.653 18.287 -7.159 1.00 0.00 H new ATOM 0 HA GLU A 61 19.022 18.857 -9.888 1.00 0.00 H new ATOM 0 HB2 GLU A 61 21.077 17.967 -10.283 1.00 0.00 H new ATOM 0 HB3 GLU A 61 21.270 18.167 -8.552 1.00 0.00 H new ATOM 0 HG2 GLU A 61 20.603 15.823 -8.183 1.00 0.00 H new ATOM 0 HG3 GLU A 61 20.330 15.612 -9.901 1.00 0.00 H new ATOM 984 N LEU A 62 18.231 15.893 -8.663 1.00 0.00 N ATOM 985 CA LEU A 62 17.412 14.709 -8.896 1.00 0.00 C ATOM 986 C LEU A 62 15.987 15.098 -9.279 1.00 0.00 C ATOM 987 O LEU A 62 15.407 14.536 -10.209 1.00 0.00 O ATOM 988 CB LEU A 62 17.392 13.824 -7.648 1.00 0.00 C ATOM 989 CG LEU A 62 18.120 12.485 -7.763 1.00 0.00 C ATOM 990 CD1 LEU A 62 17.508 11.638 -8.868 1.00 0.00 C ATOM 991 CD2 LEU A 62 19.604 12.704 -8.018 1.00 0.00 C ATOM 0 H LEU A 62 18.704 15.907 -7.760 1.00 0.00 H new ATOM 0 HA LEU A 62 17.852 14.152 -9.723 1.00 0.00 H new ATOM 0 HB2 LEU A 62 17.832 14.384 -6.823 1.00 0.00 H new ATOM 0 HB3 LEU A 62 16.353 13.628 -7.382 1.00 0.00 H new ATOM 0 HG LEU A 62 18.009 11.951 -6.819 1.00 0.00 H new ATOM 0 HD11 LEU A 62 18.039 10.689 -8.935 1.00 0.00 H new ATOM 0 HD12 LEU A 62 16.458 11.451 -8.644 1.00 0.00 H new ATOM 0 HD13 LEU A 62 17.588 12.166 -9.818 1.00 0.00 H new ATOM 0 HD21 LEU A 62 20.106 11.740 -8.097 1.00 0.00 H new ATOM 0 HD22 LEU A 62 19.736 13.259 -8.947 1.00 0.00 H new ATOM 0 HD23 LEU A 62 20.035 13.271 -7.193 1.00 0.00 H new ATOM 1003 N LEU A 63 15.430 16.065 -8.558 1.00 0.00 N ATOM 1004 CA LEU A 63 14.074 16.533 -8.824 1.00 0.00 C ATOM 1005 C LEU A 63 14.053 17.504 -9.999 1.00 0.00 C ATOM 1006 O LEU A 63 13.229 17.383 -10.904 1.00 0.00 O ATOM 1007 CB LEU A 63 13.493 17.207 -7.580 1.00 0.00 C ATOM 1008 CG LEU A 63 12.538 16.358 -6.740 1.00 0.00 C ATOM 1009 CD1 LEU A 63 12.977 16.343 -5.284 1.00 0.00 C ATOM 1010 CD2 LEU A 63 11.113 16.877 -6.864 1.00 0.00 C ATOM 0 H LEU A 63 15.896 16.540 -7.785 1.00 0.00 H new ATOM 0 HA LEU A 63 13.462 15.668 -9.081 1.00 0.00 H new ATOM 0 HB2 LEU A 63 14.319 17.525 -6.944 1.00 0.00 H new ATOM 0 HB3 LEU A 63 12.966 18.109 -7.892 1.00 0.00 H new ATOM 0 HG LEU A 63 12.565 15.336 -7.117 1.00 0.00 H new ATOM 0 HD11 LEU A 63 12.285 15.734 -4.702 1.00 0.00 H new ATOM 0 HD12 LEU A 63 13.980 15.923 -5.211 1.00 0.00 H new ATOM 0 HD13 LEU A 63 12.980 17.361 -4.894 1.00 0.00 H new ATOM 0 HD21 LEU A 63 10.447 16.261 -6.260 1.00 0.00 H new ATOM 0 HD22 LEU A 63 11.070 17.908 -6.514 1.00 0.00 H new ATOM 0 HD23 LEU A 63 10.800 16.834 -7.907 1.00 0.00 H new ATOM 1022 N GLY A 64 14.969 18.468 -9.980 1.00 0.00 N ATOM 1023 CA GLY A 64 15.040 19.446 -11.051 1.00 0.00 C ATOM 1024 C GLY A 64 14.183 20.666 -10.779 1.00 0.00 C ATOM 1025 O GLY A 64 13.686 21.303 -11.708 1.00 0.00 O ATOM 0 H GLY A 64 15.663 18.589 -9.242 1.00 0.00 H new ATOM 0 HA2 GLY A 64 16.076 19.756 -11.187 1.00 0.00 H new ATOM 0 HA3 GLY A 64 14.721 18.982 -11.984 1.00 0.00 H new ATOM 1029 N ARG A 65 14.007 20.992 -9.503 1.00 0.00 N ATOM 1030 CA ARG A 65 13.201 22.142 -9.112 1.00 0.00 C ATOM 1031 C ARG A 65 13.972 23.046 -8.155 1.00 0.00 C ATOM 1032 O ARG A 65 15.182 22.898 -7.987 1.00 0.00 O ATOM 1033 CB ARG A 65 11.899 21.680 -8.456 1.00 0.00 C ATOM 1034 CG ARG A 65 11.254 20.492 -9.151 1.00 0.00 C ATOM 1035 CD ARG A 65 10.103 20.927 -10.044 1.00 0.00 C ATOM 1036 NE ARG A 65 10.346 20.604 -11.447 1.00 0.00 N ATOM 1037 CZ ARG A 65 9.474 20.845 -12.419 1.00 0.00 C ATOM 1038 NH1 ARG A 65 8.306 21.409 -12.142 1.00 0.00 N ATOM 1039 NH2 ARG A 65 9.768 20.522 -13.672 1.00 0.00 N ATOM 0 H ARG A 65 14.412 20.476 -8.722 1.00 0.00 H new ATOM 0 HA ARG A 65 12.965 22.711 -10.011 1.00 0.00 H new ATOM 0 HB2 ARG A 65 12.099 21.418 -7.417 1.00 0.00 H new ATOM 0 HB3 ARG A 65 11.193 22.511 -8.445 1.00 0.00 H new ATOM 0 HG2 ARG A 65 12.001 19.968 -9.748 1.00 0.00 H new ATOM 0 HG3 ARG A 65 10.890 19.786 -8.405 1.00 0.00 H new ATOM 0 HD2 ARG A 65 9.185 20.441 -9.714 1.00 0.00 H new ATOM 0 HD3 ARG A 65 9.950 22.001 -9.941 1.00 0.00 H new ATOM 0 HE ARG A 65 11.235 20.169 -11.694 1.00 0.00 H new ATOM 0 HH11 ARG A 65 8.076 21.659 -11.180 1.00 0.00 H new ATOM 0 HH12 ARG A 65 7.638 21.593 -12.891 1.00 0.00 H new ATOM 0 HH21 ARG A 65 10.665 20.088 -13.890 1.00 0.00 H new ATOM 0 HH22 ARG A 65 9.097 20.708 -14.417 1.00 0.00 H new ATOM 1053 N GLN A 66 13.263 23.982 -7.532 1.00 0.00 N ATOM 1054 CA GLN A 66 13.882 24.911 -6.594 1.00 0.00 C ATOM 1055 C GLN A 66 13.539 24.540 -5.155 1.00 0.00 C ATOM 1056 O GLN A 66 14.401 24.562 -4.276 1.00 0.00 O ATOM 1057 CB GLN A 66 13.428 26.342 -6.886 1.00 0.00 C ATOM 1058 CG GLN A 66 11.978 26.442 -7.330 1.00 0.00 C ATOM 1059 CD GLN A 66 11.464 27.868 -7.331 1.00 0.00 C ATOM 1060 OE1 GLN A 66 10.599 28.230 -6.533 1.00 0.00 O ATOM 1061 NE2 GLN A 66 11.996 28.688 -8.230 1.00 0.00 N ATOM 0 H GLN A 66 12.260 24.117 -7.660 1.00 0.00 H new ATOM 0 HA GLN A 66 14.963 24.848 -6.719 1.00 0.00 H new ATOM 0 HB2 GLN A 66 13.568 26.948 -5.991 1.00 0.00 H new ATOM 0 HB3 GLN A 66 14.067 26.766 -7.661 1.00 0.00 H new ATOM 0 HG2 GLN A 66 11.879 26.024 -8.332 1.00 0.00 H new ATOM 0 HG3 GLN A 66 11.357 25.837 -6.669 1.00 0.00 H new ATOM 0 HE21 GLN A 66 12.711 28.346 -8.872 1.00 0.00 H new ATOM 0 HE22 GLN A 66 11.690 29.660 -8.278 1.00 0.00 H new ATOM 1070 N SER A 67 12.276 24.199 -4.921 1.00 0.00 N ATOM 1071 CA SER A 67 11.818 23.827 -3.588 1.00 0.00 C ATOM 1072 C SER A 67 10.559 22.970 -3.665 1.00 0.00 C ATOM 1073 O SER A 67 9.833 23.001 -4.659 1.00 0.00 O ATOM 1074 CB SER A 67 11.546 25.078 -2.751 1.00 0.00 C ATOM 1075 OG SER A 67 11.271 26.195 -3.579 1.00 0.00 O ATOM 0 H SER A 67 11.551 24.173 -5.638 1.00 0.00 H new ATOM 0 HA SER A 67 12.605 23.243 -3.111 1.00 0.00 H new ATOM 0 HB2 SER A 67 10.702 24.898 -2.086 1.00 0.00 H new ATOM 0 HB3 SER A 67 12.409 25.292 -2.120 1.00 0.00 H new ATOM 0 HG SER A 67 11.099 26.982 -3.021 1.00 0.00 H new ATOM 1081 N PHE A 68 10.306 22.204 -2.609 1.00 0.00 N ATOM 1082 CA PHE A 68 9.135 21.336 -2.556 1.00 0.00 C ATOM 1083 C PHE A 68 8.588 21.246 -1.134 1.00 0.00 C ATOM 1084 O PHE A 68 9.343 21.303 -0.163 1.00 0.00 O ATOM 1085 CB PHE A 68 9.486 19.938 -3.069 1.00 0.00 C ATOM 1086 CG PHE A 68 10.607 19.286 -2.312 1.00 0.00 C ATOM 1087 CD1 PHE A 68 10.416 18.839 -1.014 1.00 0.00 C ATOM 1088 CD2 PHE A 68 11.852 19.120 -2.897 1.00 0.00 C ATOM 1089 CE1 PHE A 68 11.445 18.238 -0.314 1.00 0.00 C ATOM 1090 CE2 PHE A 68 12.885 18.519 -2.202 1.00 0.00 C ATOM 1091 CZ PHE A 68 12.682 18.079 -0.909 1.00 0.00 C ATOM 0 H PHE A 68 10.896 22.167 -1.778 1.00 0.00 H new ATOM 0 HA PHE A 68 8.365 21.767 -3.196 1.00 0.00 H new ATOM 0 HB2 PHE A 68 8.601 19.305 -3.009 1.00 0.00 H new ATOM 0 HB3 PHE A 68 9.759 20.004 -4.122 1.00 0.00 H new ATOM 0 HD1 PHE A 68 9.451 18.962 -0.544 1.00 0.00 H new ATOM 0 HD2 PHE A 68 12.017 19.464 -3.907 1.00 0.00 H new ATOM 0 HE1 PHE A 68 11.283 17.893 0.696 1.00 0.00 H new ATOM 0 HE2 PHE A 68 13.850 18.394 -2.670 1.00 0.00 H new ATOM 0 HZ PHE A 68 13.489 17.611 -0.364 1.00 0.00 H new ATOM 1101 N SER A 69 7.271 21.106 -1.021 1.00 0.00 N ATOM 1102 CA SER A 69 6.622 21.013 0.282 1.00 0.00 C ATOM 1103 C SER A 69 6.713 19.593 0.833 1.00 0.00 C ATOM 1104 O SER A 69 6.495 18.619 0.113 1.00 0.00 O ATOM 1105 CB SER A 69 5.157 21.438 0.176 1.00 0.00 C ATOM 1106 OG SER A 69 4.699 21.364 -1.163 1.00 0.00 O ATOM 0 H SER A 69 6.633 21.055 -1.815 1.00 0.00 H new ATOM 0 HA SER A 69 7.139 21.684 0.968 1.00 0.00 H new ATOM 0 HB2 SER A 69 4.543 20.798 0.809 1.00 0.00 H new ATOM 0 HB3 SER A 69 5.043 22.457 0.547 1.00 0.00 H new ATOM 0 HG SER A 69 3.759 21.639 -1.203 1.00 0.00 H new ATOM 1112 N VAL A 70 7.037 19.484 2.118 1.00 0.00 N ATOM 1113 CA VAL A 70 7.157 18.185 2.768 1.00 0.00 C ATOM 1114 C VAL A 70 5.785 17.605 3.094 1.00 0.00 C ATOM 1115 O VAL A 70 5.548 16.408 2.926 1.00 0.00 O ATOM 1116 CB VAL A 70 7.982 18.280 4.065 1.00 0.00 C ATOM 1117 CG1 VAL A 70 8.920 19.477 4.015 1.00 0.00 C ATOM 1118 CG2 VAL A 70 7.065 18.361 5.276 1.00 0.00 C ATOM 0 H VAL A 70 7.221 20.280 2.729 1.00 0.00 H new ATOM 0 HA VAL A 70 7.670 17.527 2.067 1.00 0.00 H new ATOM 0 HB VAL A 70 8.587 17.378 4.156 1.00 0.00 H new ATOM 0 HG11 VAL A 70 9.495 19.528 4.940 1.00 0.00 H new ATOM 0 HG12 VAL A 70 9.601 19.371 3.170 1.00 0.00 H new ATOM 0 HG13 VAL A 70 8.338 20.391 3.899 1.00 0.00 H new ATOM 0 HG21 VAL A 70 7.665 18.428 6.183 1.00 0.00 H new ATOM 0 HG22 VAL A 70 6.432 19.244 5.194 1.00 0.00 H new ATOM 0 HG23 VAL A 70 6.440 17.469 5.319 1.00 0.00 H new ATOM 1128 N LYS A 71 4.882 18.461 3.560 1.00 0.00 N ATOM 1129 CA LYS A 71 3.532 18.036 3.908 1.00 0.00 C ATOM 1130 C LYS A 71 2.741 17.661 2.659 1.00 0.00 C ATOM 1131 O LYS A 71 1.637 17.122 2.751 1.00 0.00 O ATOM 1132 CB LYS A 71 2.806 19.147 4.670 1.00 0.00 C ATOM 1133 CG LYS A 71 2.039 18.652 5.884 1.00 0.00 C ATOM 1134 CD LYS A 71 1.428 19.802 6.666 1.00 0.00 C ATOM 1135 CE LYS A 71 2.411 20.373 7.677 1.00 0.00 C ATOM 1136 NZ LYS A 71 1.753 21.329 8.611 1.00 0.00 N ATOM 0 H LYS A 71 5.061 19.455 3.705 1.00 0.00 H new ATOM 0 HA LYS A 71 3.608 17.156 4.546 1.00 0.00 H new ATOM 0 HB2 LYS A 71 3.534 19.892 4.990 1.00 0.00 H new ATOM 0 HB3 LYS A 71 2.114 19.648 3.993 1.00 0.00 H new ATOM 0 HG2 LYS A 71 1.251 17.970 5.564 1.00 0.00 H new ATOM 0 HG3 LYS A 71 2.708 18.086 6.532 1.00 0.00 H new ATOM 0 HD2 LYS A 71 1.116 20.587 5.977 1.00 0.00 H new ATOM 0 HD3 LYS A 71 0.532 19.457 7.183 1.00 0.00 H new ATOM 0 HE2 LYS A 71 2.860 19.559 8.247 1.00 0.00 H new ATOM 0 HE3 LYS A 71 3.221 20.878 7.151 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 2.477 21.810 9.183 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 1.218 22.034 8.066 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 1.105 20.811 9.238 1.00 0.00 H new ATOM 1150 N ASP A 72 3.312 17.948 1.495 1.00 0.00 N ATOM 1151 CA ASP A 72 2.661 17.638 0.227 1.00 0.00 C ATOM 1152 C ASP A 72 3.528 16.708 -0.616 1.00 0.00 C ATOM 1153 O ASP A 72 4.377 17.145 -1.393 1.00 0.00 O ATOM 1154 CB ASP A 72 2.367 18.923 -0.548 1.00 0.00 C ATOM 1155 CG ASP A 72 1.421 19.845 0.197 1.00 0.00 C ATOM 1156 OD1 ASP A 72 0.338 19.378 0.606 1.00 0.00 O ATOM 1157 OD2 ASP A 72 1.764 21.033 0.370 1.00 0.00 O ATOM 0 H ASP A 72 4.224 18.395 1.403 1.00 0.00 H new ATOM 0 HA ASP A 72 1.721 17.131 0.444 1.00 0.00 H new ATOM 0 HB2 ASP A 72 3.302 19.448 -0.744 1.00 0.00 H new ATOM 0 HB3 ASP A 72 1.935 18.669 -1.516 1.00 0.00 H new ATOM 1162 N PRO A 73 3.311 15.393 -0.460 1.00 0.00 N ATOM 1163 CA PRO A 73 4.063 14.374 -1.198 1.00 0.00 C ATOM 1164 C PRO A 73 3.712 14.356 -2.682 1.00 0.00 C ATOM 1165 O PRO A 73 3.219 13.354 -3.201 1.00 0.00 O ATOM 1166 CB PRO A 73 3.635 13.065 -0.531 1.00 0.00 C ATOM 1167 CG PRO A 73 2.290 13.353 0.041 1.00 0.00 C ATOM 1168 CD PRO A 73 2.315 14.801 0.448 1.00 0.00 C ATOM 0 HA PRO A 73 5.137 14.555 -1.163 1.00 0.00 H new ATOM 0 HB2 PRO A 73 3.592 12.249 -1.252 1.00 0.00 H new ATOM 0 HB3 PRO A 73 4.340 12.767 0.245 1.00 0.00 H new ATOM 0 HG2 PRO A 73 1.506 13.167 -0.693 1.00 0.00 H new ATOM 0 HG3 PRO A 73 2.084 12.710 0.897 1.00 0.00 H new ATOM 0 HD2 PRO A 73 1.337 15.268 0.331 1.00 0.00 H new ATOM 0 HD3 PRO A 73 2.603 14.920 1.493 1.00 0.00 H new ATOM 1176 N SER A 74 3.970 15.470 -3.360 1.00 0.00 N ATOM 1177 CA SER A 74 3.678 15.582 -4.785 1.00 0.00 C ATOM 1178 C SER A 74 4.923 15.299 -5.619 1.00 0.00 C ATOM 1179 O SER A 74 5.029 14.275 -6.294 1.00 0.00 O ATOM 1180 CB SER A 74 3.140 16.978 -5.108 1.00 0.00 C ATOM 1181 OG SER A 74 1.726 16.972 -5.195 1.00 0.00 O ATOM 0 H SER A 74 4.380 16.307 -2.946 1.00 0.00 H new ATOM 0 HA SER A 74 2.919 14.841 -5.035 1.00 0.00 H new ATOM 0 HB2 SER A 74 3.457 17.681 -4.337 1.00 0.00 H new ATOM 0 HB3 SER A 74 3.564 17.326 -6.050 1.00 0.00 H new ATOM 0 HG SER A 74 1.407 17.876 -5.400 1.00 0.00 H new ATOM 1187 N PRO A 75 5.890 16.227 -5.572 1.00 0.00 N ATOM 1188 CA PRO A 75 7.146 16.101 -6.316 1.00 0.00 C ATOM 1189 C PRO A 75 8.042 15.000 -5.759 1.00 0.00 C ATOM 1190 O PRO A 75 8.851 14.418 -6.482 1.00 0.00 O ATOM 1191 CB PRO A 75 7.806 17.470 -6.134 1.00 0.00 C ATOM 1192 CG PRO A 75 7.237 17.998 -4.862 1.00 0.00 C ATOM 1193 CD PRO A 75 5.831 17.473 -4.788 1.00 0.00 C ATOM 0 HA PRO A 75 6.976 15.830 -7.358 1.00 0.00 H new ATOM 0 HB2 PRO A 75 8.891 17.382 -6.076 1.00 0.00 H new ATOM 0 HB3 PRO A 75 7.584 18.131 -6.972 1.00 0.00 H new ATOM 0 HG2 PRO A 75 7.823 17.666 -4.005 1.00 0.00 H new ATOM 0 HG3 PRO A 75 7.248 19.088 -4.853 1.00 0.00 H new ATOM 0 HD2 PRO A 75 5.526 17.286 -3.759 1.00 0.00 H new ATOM 0 HD3 PRO A 75 5.116 18.179 -5.209 1.00 0.00 H new ATOM 1201 N LEU A 76 7.891 14.717 -4.470 1.00 0.00 N ATOM 1202 CA LEU A 76 8.687 13.684 -3.815 1.00 0.00 C ATOM 1203 C LEU A 76 8.490 12.333 -4.495 1.00 0.00 C ATOM 1204 O LEU A 76 9.457 11.658 -4.848 1.00 0.00 O ATOM 1205 CB LEU A 76 8.310 13.584 -2.336 1.00 0.00 C ATOM 1206 CG LEU A 76 9.205 12.692 -1.474 1.00 0.00 C ATOM 1207 CD1 LEU A 76 10.392 13.481 -0.943 1.00 0.00 C ATOM 1208 CD2 LEU A 76 8.408 12.086 -0.327 1.00 0.00 C ATOM 0 H LEU A 76 7.225 15.188 -3.857 1.00 0.00 H new ATOM 0 HA LEU A 76 9.738 13.962 -3.897 1.00 0.00 H new ATOM 0 HB2 LEU A 76 8.315 14.588 -1.912 1.00 0.00 H new ATOM 0 HB3 LEU A 76 7.287 13.214 -2.267 1.00 0.00 H new ATOM 0 HG LEU A 76 9.583 11.880 -2.095 1.00 0.00 H new ATOM 0 HD11 LEU A 76 11.017 12.830 -0.332 1.00 0.00 H new ATOM 0 HD12 LEU A 76 10.976 13.866 -1.779 1.00 0.00 H new ATOM 0 HD13 LEU A 76 10.034 14.313 -0.337 1.00 0.00 H new ATOM 0 HD21 LEU A 76 9.061 11.454 0.276 1.00 0.00 H new ATOM 0 HD22 LEU A 76 8.000 12.884 0.294 1.00 0.00 H new ATOM 0 HD23 LEU A 76 7.592 11.486 -0.728 1.00 0.00 H new ATOM 1220 N TYR A 77 7.233 11.945 -4.676 1.00 0.00 N ATOM 1221 CA TYR A 77 6.909 10.675 -5.314 1.00 0.00 C ATOM 1222 C TYR A 77 7.276 10.699 -6.794 1.00 0.00 C ATOM 1223 O TYR A 77 7.838 9.739 -7.322 1.00 0.00 O ATOM 1224 CB TYR A 77 5.421 10.363 -5.150 1.00 0.00 C ATOM 1225 CG TYR A 77 5.082 9.699 -3.835 1.00 0.00 C ATOM 1226 CD1 TYR A 77 5.354 8.353 -3.623 1.00 0.00 C ATOM 1227 CD2 TYR A 77 4.489 10.418 -2.804 1.00 0.00 C ATOM 1228 CE1 TYR A 77 5.045 7.742 -2.423 1.00 0.00 C ATOM 1229 CE2 TYR A 77 4.178 9.816 -1.600 1.00 0.00 C ATOM 1230 CZ TYR A 77 4.458 8.478 -1.414 1.00 0.00 C ATOM 1231 OH TYR A 77 4.150 7.874 -0.217 1.00 0.00 O ATOM 0 H TYR A 77 6.421 12.492 -4.390 1.00 0.00 H new ATOM 0 HA TYR A 77 7.493 9.894 -4.827 1.00 0.00 H new ATOM 0 HB2 TYR A 77 4.853 11.289 -5.237 1.00 0.00 H new ATOM 0 HB3 TYR A 77 5.102 9.716 -5.967 1.00 0.00 H new ATOM 0 HD1 TYR A 77 5.815 7.774 -4.410 1.00 0.00 H new ATOM 0 HD2 TYR A 77 4.267 11.465 -2.946 1.00 0.00 H new ATOM 0 HE1 TYR A 77 5.262 6.694 -2.275 1.00 0.00 H new ATOM 0 HE2 TYR A 77 3.718 10.390 -0.809 1.00 0.00 H new ATOM 0 HH TYR A 77 3.743 8.531 0.386 1.00 0.00 H new ATOM 1241 N ASP A 78 6.955 11.803 -7.458 1.00 0.00 N ATOM 1242 CA ASP A 78 7.251 11.956 -8.878 1.00 0.00 C ATOM 1243 C ASP A 78 8.721 11.661 -9.161 1.00 0.00 C ATOM 1244 O ASP A 78 9.053 10.987 -10.135 1.00 0.00 O ATOM 1245 CB ASP A 78 6.902 13.369 -9.345 1.00 0.00 C ATOM 1246 CG ASP A 78 6.128 13.374 -10.649 1.00 0.00 C ATOM 1247 OD1 ASP A 78 4.969 12.909 -10.652 1.00 0.00 O ATOM 1248 OD2 ASP A 78 6.681 13.843 -11.665 1.00 0.00 O ATOM 0 H ASP A 78 6.489 12.606 -7.036 1.00 0.00 H new ATOM 0 HA ASP A 78 6.642 11.240 -9.430 1.00 0.00 H new ATOM 0 HB2 ASP A 78 6.314 13.868 -8.575 1.00 0.00 H new ATOM 0 HB3 ASP A 78 7.819 13.945 -9.468 1.00 0.00 H new ATOM 1253 N MET A 79 9.597 12.173 -8.303 1.00 0.00 N ATOM 1254 CA MET A 79 11.032 11.965 -8.461 1.00 0.00 C ATOM 1255 C MET A 79 11.418 10.536 -8.091 1.00 0.00 C ATOM 1256 O MET A 79 12.116 9.857 -8.845 1.00 0.00 O ATOM 1257 CB MET A 79 11.811 12.956 -7.594 1.00 0.00 C ATOM 1258 CG MET A 79 12.969 12.324 -6.839 1.00 0.00 C ATOM 1259 SD MET A 79 13.841 13.504 -5.791 1.00 0.00 S ATOM 1260 CE MET A 79 13.132 13.124 -4.191 1.00 0.00 C ATOM 0 H MET A 79 9.339 12.735 -7.492 1.00 0.00 H new ATOM 0 HA MET A 79 11.285 12.132 -9.508 1.00 0.00 H new ATOM 0 HB2 MET A 79 12.194 13.756 -8.227 1.00 0.00 H new ATOM 0 HB3 MET A 79 11.129 13.415 -6.878 1.00 0.00 H new ATOM 0 HG2 MET A 79 12.594 11.506 -6.224 1.00 0.00 H new ATOM 0 HG3 MET A 79 13.670 11.891 -7.553 1.00 0.00 H new ATOM 0 HE1 MET A 79 13.572 13.774 -3.434 1.00 0.00 H new ATOM 0 HE2 MET A 79 12.054 13.283 -4.223 1.00 0.00 H new ATOM 0 HE3 MET A 79 13.337 12.083 -3.940 1.00 0.00 H new ATOM 1270 N LEU A 80 10.960 10.086 -6.928 1.00 0.00 N ATOM 1271 CA LEU A 80 11.257 8.738 -6.459 1.00 0.00 C ATOM 1272 C LEU A 80 10.883 7.700 -7.512 1.00 0.00 C ATOM 1273 O LEU A 80 11.528 6.657 -7.627 1.00 0.00 O ATOM 1274 CB LEU A 80 10.508 8.453 -5.156 1.00 0.00 C ATOM 1275 CG LEU A 80 10.984 9.226 -3.925 1.00 0.00 C ATOM 1276 CD1 LEU A 80 10.014 9.037 -2.769 1.00 0.00 C ATOM 1277 CD2 LEU A 80 12.385 8.784 -3.527 1.00 0.00 C ATOM 0 H LEU A 80 10.381 10.635 -6.293 1.00 0.00 H new ATOM 0 HA LEU A 80 12.329 8.672 -6.276 1.00 0.00 H new ATOM 0 HB2 LEU A 80 9.452 8.672 -5.312 1.00 0.00 H new ATOM 0 HB3 LEU A 80 10.584 7.387 -4.942 1.00 0.00 H new ATOM 0 HG LEU A 80 11.017 10.286 -4.175 1.00 0.00 H new ATOM 0 HD11 LEU A 80 10.369 9.594 -1.902 1.00 0.00 H new ATOM 0 HD12 LEU A 80 9.029 9.403 -3.057 1.00 0.00 H new ATOM 0 HD13 LEU A 80 9.949 7.978 -2.518 1.00 0.00 H new ATOM 0 HD21 LEU A 80 12.708 9.344 -2.649 1.00 0.00 H new ATOM 0 HD22 LEU A 80 12.378 7.719 -3.295 1.00 0.00 H new ATOM 0 HD23 LEU A 80 13.074 8.972 -4.351 1.00 0.00 H new ATOM 1289 N ARG A 81 9.837 7.992 -8.278 1.00 0.00 N ATOM 1290 CA ARG A 81 9.377 7.085 -9.322 1.00 0.00 C ATOM 1291 C ARG A 81 10.557 6.390 -9.997 1.00 0.00 C ATOM 1292 O ARG A 81 10.622 5.162 -10.047 1.00 0.00 O ATOM 1293 CB ARG A 81 8.556 7.846 -10.364 1.00 0.00 C ATOM 1294 CG ARG A 81 7.466 7.008 -11.012 1.00 0.00 C ATOM 1295 CD ARG A 81 7.316 7.334 -12.489 1.00 0.00 C ATOM 1296 NE ARG A 81 7.151 6.131 -13.301 1.00 0.00 N ATOM 1297 CZ ARG A 81 6.984 6.151 -14.619 1.00 0.00 C ATOM 1298 NH1 ARG A 81 6.961 7.306 -15.270 1.00 0.00 N ATOM 1299 NH2 ARG A 81 6.840 5.014 -15.288 1.00 0.00 N ATOM 0 H ARG A 81 9.292 8.850 -8.195 1.00 0.00 H new ATOM 0 HA ARG A 81 8.747 6.326 -8.857 1.00 0.00 H new ATOM 0 HB2 ARG A 81 8.101 8.716 -9.891 1.00 0.00 H new ATOM 0 HB3 ARG A 81 9.225 8.219 -11.139 1.00 0.00 H new ATOM 0 HG2 ARG A 81 7.700 5.950 -10.894 1.00 0.00 H new ATOM 0 HG3 ARG A 81 6.519 7.184 -10.502 1.00 0.00 H new ATOM 0 HD2 ARG A 81 6.455 7.988 -12.630 1.00 0.00 H new ATOM 0 HD3 ARG A 81 8.193 7.884 -12.830 1.00 0.00 H new ATOM 0 HE ARG A 81 7.165 5.226 -12.830 1.00 0.00 H new ATOM 0 HH11 ARG A 81 7.072 8.182 -14.759 1.00 0.00 H new ATOM 0 HH12 ARG A 81 6.833 7.319 -16.282 1.00 0.00 H new ATOM 0 HH21 ARG A 81 6.857 4.124 -14.790 1.00 0.00 H new ATOM 0 HH22 ARG A 81 6.712 5.030 -16.300 1.00 0.00 H new ATOM 1313 N LYS A 82 11.487 7.185 -10.516 1.00 0.00 N ATOM 1314 CA LYS A 82 12.665 6.649 -11.187 1.00 0.00 C ATOM 1315 C LYS A 82 13.909 6.819 -10.322 1.00 0.00 C ATOM 1316 O LYS A 82 15.002 6.399 -10.701 1.00 0.00 O ATOM 1317 CB LYS A 82 12.869 7.343 -12.536 1.00 0.00 C ATOM 1318 CG LYS A 82 13.881 8.475 -12.490 1.00 0.00 C ATOM 1319 CD LYS A 82 13.405 9.613 -11.602 1.00 0.00 C ATOM 1320 CE LYS A 82 12.100 10.207 -12.110 1.00 0.00 C ATOM 1321 NZ LYS A 82 11.941 11.629 -11.697 1.00 0.00 N ATOM 0 H LYS A 82 11.447 8.204 -10.485 1.00 0.00 H new ATOM 0 HA LYS A 82 12.504 5.584 -11.354 1.00 0.00 H new ATOM 0 HB2 LYS A 82 13.195 6.605 -13.269 1.00 0.00 H new ATOM 0 HB3 LYS A 82 11.913 7.735 -12.882 1.00 0.00 H new ATOM 0 HG2 LYS A 82 14.834 8.097 -12.120 1.00 0.00 H new ATOM 0 HG3 LYS A 82 14.057 8.848 -13.499 1.00 0.00 H new ATOM 0 HD2 LYS A 82 13.268 9.249 -10.584 1.00 0.00 H new ATOM 0 HD3 LYS A 82 14.169 10.390 -11.563 1.00 0.00 H new ATOM 0 HE2 LYS A 82 12.069 10.139 -13.197 1.00 0.00 H new ATOM 0 HE3 LYS A 82 11.262 9.622 -11.730 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 10.956 11.799 -11.410 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 12.574 11.831 -10.897 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 12.182 12.251 -12.495 1.00 0.00 H new ATOM 1335 N ASN A 83 13.735 7.436 -9.158 1.00 0.00 N ATOM 1336 CA ASN A 83 14.845 7.661 -8.239 1.00 0.00 C ATOM 1337 C ASN A 83 14.957 6.519 -7.233 1.00 0.00 C ATOM 1338 O ASN A 83 16.013 5.899 -7.097 1.00 0.00 O ATOM 1339 CB ASN A 83 14.662 8.989 -7.501 1.00 0.00 C ATOM 1340 CG ASN A 83 15.148 8.925 -6.066 1.00 0.00 C ATOM 1341 OD1 ASN A 83 16.155 8.282 -5.768 1.00 0.00 O ATOM 1342 ND2 ASN A 83 14.432 9.592 -5.168 1.00 0.00 N ATOM 0 H ASN A 83 12.836 7.789 -8.829 1.00 0.00 H new ATOM 0 HA ASN A 83 15.765 7.701 -8.822 1.00 0.00 H new ATOM 0 HB2 ASN A 83 15.203 9.773 -8.030 1.00 0.00 H new ATOM 0 HB3 ASN A 83 13.608 9.266 -7.513 1.00 0.00 H new ATOM 0 HD21 ASN A 83 14.710 9.585 -4.187 1.00 0.00 H new ATOM 0 HD22 ASN A 83 13.604 10.112 -5.460 1.00 0.00 H new ATOM 1349 N LEU A 84 13.863 6.246 -6.531 1.00 0.00 N ATOM 1350 CA LEU A 84 13.838 5.178 -5.538 1.00 0.00 C ATOM 1351 C LEU A 84 13.725 3.813 -6.209 1.00 0.00 C ATOM 1352 O LEU A 84 12.629 3.360 -6.537 1.00 0.00 O ATOM 1353 CB LEU A 84 12.671 5.381 -4.570 1.00 0.00 C ATOM 1354 CG LEU A 84 13.014 5.315 -3.082 1.00 0.00 C ATOM 1355 CD1 LEU A 84 14.176 6.241 -2.760 1.00 0.00 C ATOM 1356 CD2 LEU A 84 11.798 5.670 -2.238 1.00 0.00 C ATOM 0 H LEU A 84 12.982 6.749 -6.631 1.00 0.00 H new ATOM 0 HA LEU A 84 14.774 5.212 -4.981 1.00 0.00 H new ATOM 0 HB2 LEU A 84 12.219 6.351 -4.775 1.00 0.00 H new ATOM 0 HB3 LEU A 84 11.914 4.626 -4.782 1.00 0.00 H new ATOM 0 HG LEU A 84 13.313 4.294 -2.843 1.00 0.00 H new ATOM 0 HD11 LEU A 84 14.406 6.180 -1.696 1.00 0.00 H new ATOM 0 HD12 LEU A 84 15.051 5.942 -3.338 1.00 0.00 H new ATOM 0 HD13 LEU A 84 13.906 7.266 -3.015 1.00 0.00 H new ATOM 0 HD21 LEU A 84 12.061 5.618 -1.181 1.00 0.00 H new ATOM 0 HD22 LEU A 84 11.469 6.680 -2.481 1.00 0.00 H new ATOM 0 HD23 LEU A 84 10.992 4.966 -2.447 1.00 0.00 H new ATOM 1368 N VAL A 85 14.867 3.161 -6.408 1.00 0.00 N ATOM 1369 CA VAL A 85 14.896 1.846 -7.037 1.00 0.00 C ATOM 1370 C VAL A 85 14.112 0.827 -6.217 1.00 0.00 C ATOM 1371 O VAL A 85 14.613 0.290 -5.229 1.00 0.00 O ATOM 1372 CB VAL A 85 16.340 1.342 -7.216 1.00 0.00 C ATOM 1373 CG1 VAL A 85 16.360 -0.169 -7.398 1.00 0.00 C ATOM 1374 CG2 VAL A 85 17.004 2.038 -8.395 1.00 0.00 C ATOM 0 H VAL A 85 15.783 3.522 -6.143 1.00 0.00 H new ATOM 0 HA VAL A 85 14.432 1.954 -8.017 1.00 0.00 H new ATOM 0 HB VAL A 85 16.905 1.583 -6.315 1.00 0.00 H new ATOM 0 HG11 VAL A 85 17.389 -0.507 -7.523 1.00 0.00 H new ATOM 0 HG12 VAL A 85 15.925 -0.647 -6.520 1.00 0.00 H new ATOM 0 HG13 VAL A 85 15.780 -0.437 -8.281 1.00 0.00 H new ATOM 0 HG21 VAL A 85 18.024 1.670 -8.507 1.00 0.00 H new ATOM 0 HG22 VAL A 85 16.441 1.830 -9.305 1.00 0.00 H new ATOM 0 HG23 VAL A 85 17.024 3.113 -8.219 1.00 0.00 H new ATOM 1499 N PHE B 119 10.900 18.756 11.862 1.00 0.00 N ATOM 1500 CA PHE B 119 10.583 18.027 10.639 1.00 0.00 C ATOM 1501 C PHE B 119 9.725 16.802 10.943 1.00 0.00 C ATOM 1502 O PHE B 119 8.755 16.520 10.240 1.00 0.00 O ATOM 1503 CB PHE B 119 11.868 17.600 9.927 1.00 0.00 C ATOM 1504 CG PHE B 119 11.770 17.655 8.430 1.00 0.00 C ATOM 1505 CD1 PHE B 119 10.534 17.694 7.804 1.00 0.00 C ATOM 1506 CD2 PHE B 119 12.913 17.667 7.647 1.00 0.00 C ATOM 1507 CE1 PHE B 119 10.440 17.745 6.426 1.00 0.00 C ATOM 1508 CE2 PHE B 119 12.826 17.718 6.269 1.00 0.00 C ATOM 1509 CZ PHE B 119 11.588 17.756 5.657 1.00 0.00 C ATOM 0 HA PHE B 119 10.018 18.692 9.986 1.00 0.00 H new ATOM 0 HB2 PHE B 119 12.686 18.243 10.253 1.00 0.00 H new ATOM 0 HB3 PHE B 119 12.121 16.584 10.229 1.00 0.00 H new ATOM 0 HD1 PHE B 119 9.634 17.684 8.400 1.00 0.00 H new ATOM 0 HD2 PHE B 119 13.884 17.636 8.119 1.00 0.00 H new ATOM 0 HE1 PHE B 119 9.471 17.776 5.951 1.00 0.00 H new ATOM 0 HE2 PHE B 119 13.725 17.728 5.671 1.00 0.00 H new ATOM 0 HZ PHE B 119 11.518 17.794 4.580 1.00 0.00 H new ATOM 1519 N SER B 120 10.091 16.077 11.995 1.00 0.00 N ATOM 1520 CA SER B 120 9.358 14.880 12.390 1.00 0.00 C ATOM 1521 C SER B 120 7.859 15.156 12.456 1.00 0.00 C ATOM 1522 O SER B 120 7.047 14.350 12.002 1.00 0.00 O ATOM 1523 CB SER B 120 9.855 14.376 13.747 1.00 0.00 C ATOM 1524 OG SER B 120 10.151 12.991 13.700 1.00 0.00 O ATOM 0 H SER B 120 10.890 16.297 12.589 1.00 0.00 H new ATOM 0 HA SER B 120 9.535 14.112 11.637 1.00 0.00 H new ATOM 0 HB2 SER B 120 10.746 14.932 14.041 1.00 0.00 H new ATOM 0 HB3 SER B 120 9.097 14.563 14.508 1.00 0.00 H new ATOM 0 HG SER B 120 10.468 12.694 14.579 1.00 0.00 H new ATOM 1530 N ASP B 121 7.500 16.302 13.024 1.00 0.00 N ATOM 1531 CA ASP B 121 6.100 16.688 13.149 1.00 0.00 C ATOM 1532 C ASP B 121 5.376 16.548 11.814 1.00 0.00 C ATOM 1533 O ASP B 121 4.475 15.721 11.667 1.00 0.00 O ATOM 1534 CB ASP B 121 5.988 18.127 13.656 1.00 0.00 C ATOM 1535 CG ASP B 121 4.649 18.408 14.309 1.00 0.00 C ATOM 1536 OD1 ASP B 121 3.624 17.909 13.800 1.00 0.00 O ATOM 1537 OD2 ASP B 121 4.625 19.128 15.329 1.00 0.00 O ATOM 0 H ASP B 121 8.160 16.980 13.405 1.00 0.00 H new ATOM 0 HA ASP B 121 5.628 16.020 13.869 1.00 0.00 H new ATOM 0 HB2 ASP B 121 6.786 18.320 14.373 1.00 0.00 H new ATOM 0 HB3 ASP B 121 6.134 18.815 12.823 1.00 0.00 H new ATOM 1542 N LEU B 122 5.775 17.363 10.843 1.00 0.00 N ATOM 1543 CA LEU B 122 5.164 17.331 9.519 1.00 0.00 C ATOM 1544 C LEU B 122 5.669 16.138 8.714 1.00 0.00 C ATOM 1545 O LEU B 122 4.881 15.326 8.229 1.00 0.00 O ATOM 1546 CB LEU B 122 5.461 18.630 8.767 1.00 0.00 C ATOM 1547 CG LEU B 122 5.549 19.895 9.622 1.00 0.00 C ATOM 1548 CD1 LEU B 122 5.771 21.117 8.745 1.00 0.00 C ATOM 1549 CD2 LEU B 122 4.290 20.060 10.461 1.00 0.00 C ATOM 0 H LEU B 122 6.518 18.053 10.948 1.00 0.00 H new ATOM 0 HA LEU B 122 4.086 17.230 9.646 1.00 0.00 H new ATOM 0 HB2 LEU B 122 6.404 18.510 8.233 1.00 0.00 H new ATOM 0 HB3 LEU B 122 4.685 18.777 8.015 1.00 0.00 H new ATOM 0 HG LEU B 122 6.400 19.797 10.296 1.00 0.00 H new ATOM 0 HD11 LEU B 122 5.831 22.008 9.370 1.00 0.00 H new ATOM 0 HD12 LEU B 122 6.701 21.001 8.188 1.00 0.00 H new ATOM 0 HD13 LEU B 122 4.940 21.219 8.047 1.00 0.00 H new ATOM 0 HD21 LEU B 122 4.370 20.965 11.063 1.00 0.00 H new ATOM 0 HD22 LEU B 122 3.423 20.136 9.805 1.00 0.00 H new ATOM 0 HD23 LEU B 122 4.174 19.197 11.117 1.00 0.00 H new ATOM 1561 N TRP B 123 6.987 16.037 8.579 1.00 0.00 N ATOM 1562 CA TRP B 123 7.597 14.941 7.835 1.00 0.00 C ATOM 1563 C TRP B 123 6.790 13.658 7.996 1.00 0.00 C ATOM 1564 O TRP B 123 6.342 13.067 7.013 1.00 0.00 O ATOM 1565 CB TRP B 123 9.035 14.716 8.307 1.00 0.00 C ATOM 1566 CG TRP B 123 9.843 13.874 7.367 1.00 0.00 C ATOM 1567 CD1 TRP B 123 10.486 12.705 7.660 1.00 0.00 C ATOM 1568 CD2 TRP B 123 10.096 14.137 5.982 1.00 0.00 C ATOM 1569 NE1 TRP B 123 11.123 12.226 6.541 1.00 0.00 N ATOM 1570 CE2 TRP B 123 10.899 13.085 5.499 1.00 0.00 C ATOM 1571 CE3 TRP B 123 9.722 15.157 5.104 1.00 0.00 C ATOM 1572 CZ2 TRP B 123 11.333 13.028 4.177 1.00 0.00 C ATOM 1573 CZ3 TRP B 123 10.153 15.099 3.793 1.00 0.00 C ATOM 1574 CH2 TRP B 123 10.951 14.040 3.339 1.00 0.00 C ATOM 0 H TRP B 123 7.653 16.700 8.975 1.00 0.00 H new ATOM 0 HA TRP B 123 7.606 15.212 6.779 1.00 0.00 H new ATOM 0 HB2 TRP B 123 9.525 15.682 8.431 1.00 0.00 H new ATOM 0 HB3 TRP B 123 9.018 14.239 9.287 1.00 0.00 H new ATOM 0 HD1 TRP B 123 10.493 12.228 8.629 1.00 0.00 H new ATOM 0 HE1 TRP B 123 11.674 11.369 6.494 1.00 0.00 H new ATOM 0 HE3 TRP B 123 9.107 15.977 5.444 1.00 0.00 H new ATOM 0 HZ2 TRP B 123 11.949 12.214 3.826 1.00 0.00 H new ATOM 0 HZ3 TRP B 123 9.870 15.883 3.106 1.00 0.00 H new ATOM 0 HH2 TRP B 123 11.271 14.022 2.308 1.00 0.00 H new ATOM 1585 N LYS B 124 6.606 13.232 9.241 1.00 0.00 N ATOM 1586 CA LYS B 124 5.850 12.019 9.531 1.00 0.00 C ATOM 1587 C LYS B 124 4.599 11.937 8.663 1.00 0.00 C ATOM 1588 O LYS B 124 4.278 10.880 8.116 1.00 0.00 O ATOM 1589 CB LYS B 124 5.461 11.977 11.010 1.00 0.00 C ATOM 1590 CG LYS B 124 4.964 10.618 11.471 1.00 0.00 C ATOM 1591 CD LYS B 124 5.458 10.288 12.869 1.00 0.00 C ATOM 1592 CE LYS B 124 6.851 9.677 12.839 1.00 0.00 C ATOM 1593 NZ LYS B 124 7.190 9.006 14.125 1.00 0.00 N ATOM 0 H LYS B 124 6.970 13.709 10.066 1.00 0.00 H new ATOM 0 HA LYS B 124 6.485 11.162 9.304 1.00 0.00 H new ATOM 0 HB2 LYS B 124 6.324 12.262 11.612 1.00 0.00 H new ATOM 0 HB3 LYS B 124 4.685 12.720 11.194 1.00 0.00 H new ATOM 0 HG2 LYS B 124 3.874 10.604 11.457 1.00 0.00 H new ATOM 0 HG3 LYS B 124 5.302 9.851 10.774 1.00 0.00 H new ATOM 0 HD2 LYS B 124 5.470 11.194 13.475 1.00 0.00 H new ATOM 0 HD3 LYS B 124 4.766 9.594 13.346 1.00 0.00 H new ATOM 0 HE2 LYS B 124 6.913 8.955 12.025 1.00 0.00 H new ATOM 0 HE3 LYS B 124 7.585 10.456 12.631 1.00 0.00 H new ATOM 0 HZ1 LYS B 124 8.147 8.603 14.064 1.00 0.00 H new ATOM 0 HZ2 LYS B 124 7.155 9.700 14.899 1.00 0.00 H new ATOM 0 HZ3 LYS B 124 6.505 8.246 14.311 1.00 0.00 H new ATOM 1607 N LEU B 125 3.896 13.057 8.538 1.00 0.00 N ATOM 1608 CA LEU B 125 2.680 13.112 7.734 1.00 0.00 C ATOM 1609 C LEU B 125 2.858 12.352 6.424 1.00 0.00 C ATOM 1610 O LEU B 125 2.006 11.551 6.037 1.00 0.00 O ATOM 1611 CB LEU B 125 2.300 14.566 7.447 1.00 0.00 C ATOM 1612 CG LEU B 125 0.845 14.813 7.050 1.00 0.00 C ATOM 1613 CD1 LEU B 125 0.390 16.187 7.518 1.00 0.00 C ATOM 1614 CD2 LEU B 125 0.672 14.677 5.544 1.00 0.00 C ATOM 0 H LEU B 125 4.147 13.940 8.983 1.00 0.00 H new ATOM 0 HA LEU B 125 1.878 12.639 8.300 1.00 0.00 H new ATOM 0 HB2 LEU B 125 2.519 15.160 8.334 1.00 0.00 H new ATOM 0 HB3 LEU B 125 2.942 14.937 6.648 1.00 0.00 H new ATOM 0 HG LEU B 125 0.223 14.061 7.536 1.00 0.00 H new ATOM 0 HD11 LEU B 125 -0.648 16.345 7.226 1.00 0.00 H new ATOM 0 HD12 LEU B 125 0.476 16.249 8.603 1.00 0.00 H new ATOM 0 HD13 LEU B 125 1.016 16.953 7.060 1.00 0.00 H new ATOM 0 HD21 LEU B 125 -0.370 14.856 5.280 1.00 0.00 H new ATOM 0 HD22 LEU B 125 1.305 15.406 5.038 1.00 0.00 H new ATOM 0 HD23 LEU B 125 0.957 13.672 5.234 1.00 0.00 H new ATOM 1626 N LEU B 126 3.972 12.607 5.745 1.00 0.00 N ATOM 1627 CA LEU B 126 4.264 11.945 4.479 1.00 0.00 C ATOM 1628 C LEU B 126 3.922 10.461 4.548 1.00 0.00 C ATOM 1629 O LEU B 126 4.658 9.655 5.118 1.00 0.00 O ATOM 1630 CB LEU B 126 5.739 12.124 4.116 1.00 0.00 C ATOM 1631 CG LEU B 126 6.087 13.382 3.320 1.00 0.00 C ATOM 1632 CD1 LEU B 126 6.795 14.396 4.206 1.00 0.00 C ATOM 1633 CD2 LEU B 126 6.948 13.030 2.115 1.00 0.00 C ATOM 0 H LEU B 126 4.687 13.267 6.050 1.00 0.00 H new ATOM 0 HA LEU B 126 3.647 12.405 3.707 1.00 0.00 H new ATOM 0 HB2 LEU B 126 6.321 12.129 5.038 1.00 0.00 H new ATOM 0 HB3 LEU B 126 6.059 11.255 3.541 1.00 0.00 H new ATOM 0 HG LEU B 126 5.160 13.829 2.961 1.00 0.00 H new ATOM 0 HD11 LEU B 126 7.035 15.285 3.622 1.00 0.00 H new ATOM 0 HD12 LEU B 126 6.144 14.672 5.036 1.00 0.00 H new ATOM 0 HD13 LEU B 126 7.714 13.959 4.596 1.00 0.00 H new ATOM 0 HD21 LEU B 126 7.186 13.938 1.560 1.00 0.00 H new ATOM 0 HD22 LEU B 126 7.871 12.559 2.453 1.00 0.00 H new ATOM 0 HD23 LEU B 126 6.404 12.341 1.468 1.00 0.00 H new