USER MOD reduce.3.24.130724 H: found=0, std=0, add=1089, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 1098 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 10 MET CE :methyl -177:sc= 0 (180deg=-0.0101) USER MOD Set 1.2: A 119 MET CE :methyl -161:sc= 0 (180deg=-0.378) USER MOD Set 1.3: A 126 CYS SG : rot 163:sc= -0.149 USER MOD Set 1.4: A 128 GLN : amide:sc= -0.226 K(o=-0.37,f=-1.5) USER MOD Set 2.1: A 94 GLN : amide:sc= 1 K(o=2.3,f=0.076) USER MOD Set 2.2: A 107 THR OG1 : rot -52:sc= 1.27 USER MOD Set 3.1: A 65 GLN : amide:sc= 0.338 K(o=0.7,f=-1.3) USER MOD Set 3.2: A 68 LYS NZ :NH3+ 180:sc= 0.36 (180deg=0) USER MOD Set 4.1: A 5 ASN : amide:sc= 0.533 K(o=0.98,f=-0.4) USER MOD Set 4.2: A 44 GLN : amide:sc= 0.449 K(o=0.98,f=-3) USER MOD Set 4.3: A 49 MET CE :methyl -163:sc=-0.000624 (180deg=-0.0893) USER MOD Set 5.1: A 40 LYS NZ :NH3+ 178:sc= 0.294 (180deg=-0.237) USER MOD Set 5.2: A 53 THR OG1 : rot 170:sc= 0.448 USER MOD Set 6.1: A 13 ASN : amide:sc= 0.324 X(o=-0.074,f=-0.49) USER MOD Set 6.2: A 34 ASN : amide:sc= -0.398 X(o=-0.074,f=-0.49) USER MOD Single : A 0 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 0 MET N :NH3+ -178:sc= 0 (180deg=-0.00145) USER MOD Single : A 7 TYR OH : rot 27:sc= 1.2 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 15 ASN : amide:sc= 0.591 K(o=0.59,f=-0.65) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 ASN : amide:sc= -0.0123 K(o=-0.012,f=-0.65) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 LYS NZ :NH3+ -158:sc= 0.894 (180deg=0.577) USER MOD Single : A 48 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 55 SER OG : rot -149:sc= 0.088 USER MOD Single : A 56 THR OG1 : rot 6:sc= 1.13 USER MOD Single : A 59 ASN : amide:sc= -0.238 K(o=-0.24,f=-4.4!) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 MET CE :methyl 150:sc=-0.00293 (180deg=-0.106) USER MOD Single : A 75 THR OG1 : rot -6:sc= 1.15 USER MOD Single : A 81 LYS NZ :NH3+ 152:sc= 0 (180deg=-0.758) USER MOD Single : A 82 CYS SG : rot 20:sc= -0.118 USER MOD Single : A 83 MET CE :methyl -173:sc= -0.0742 (180deg=-0.0871) USER MOD Single : A 84 THR OG1 : rot 151:sc= 0.229 USER MOD Single : A 85 THR OG1 : rot 180:sc= -0.0364 USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 CYS SG : rot -164:sc= -2.37! USER MOD Single : A 97 GLN : amide:sc= 0.227 X(o=0.23,f=0) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 LYS NZ :NH3+ -131:sc= 0.143 (180deg=0) USER MOD Single : A 108 GLN : amide:sc= -0.0409 X(o=-0.041,f=0.1) USER MOD Single : A 116 HIS : no HD1:sc= 0 X(o=0,f=-0.0035) USER MOD Single : A 125 THR OG1 : rot 180:sc= -0.0192 USER MOD Single : A 127 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 131 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 132 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 134 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 0 2.648 0.385 2.219 1.00 0.00 N ATOM 2 CA MET A 0 2.495 -0.235 0.878 1.00 0.00 C ATOM 3 C MET A 0 3.765 -1.092 0.542 1.00 0.00 C ATOM 4 O MET A 0 4.717 -0.540 -0.024 1.00 0.00 O ATOM 5 CB MET A 0 2.175 0.845 -0.193 1.00 0.00 C ATOM 6 CG MET A 0 0.813 1.555 -0.052 1.00 0.00 C ATOM 7 SD MET A 0 0.582 2.681 -1.442 1.00 0.00 S ATOM 8 CE MET A 0 -0.998 3.417 -0.988 1.00 0.00 C ATOM 0 H1 MET A 0 1.790 0.924 2.452 1.00 0.00 H new ATOM 0 H2 MET A 0 2.793 -0.359 2.931 1.00 0.00 H new ATOM 0 H3 MET A 0 3.468 1.024 2.214 1.00 0.00 H new ATOM 0 HA MET A 0 1.644 -0.916 0.879 1.00 0.00 H new ATOM 0 HB2 MET A 0 2.961 1.600 -0.165 1.00 0.00 H new ATOM 0 HB3 MET A 0 2.218 0.377 -1.176 1.00 0.00 H new ATOM 0 HG2 MET A 0 0.008 0.821 -0.026 1.00 0.00 H new ATOM 0 HG3 MET A 0 0.772 2.106 0.888 1.00 0.00 H new ATOM 0 HE1 MET A 0 -1.292 4.143 -1.746 1.00 0.00 H new ATOM 0 HE2 MET A 0 -1.756 2.637 -0.919 1.00 0.00 H new ATOM 0 HE3 MET A 0 -0.903 3.917 -0.024 1.00 0.00 H new ATOM 19 N PRO A 1 3.841 -2.426 0.845 1.00 0.00 N ATOM 20 CA PRO A 1 5.048 -3.251 0.554 1.00 0.00 C ATOM 21 C PRO A 1 5.419 -3.439 -0.951 1.00 0.00 C ATOM 22 O PRO A 1 4.657 -4.019 -1.730 1.00 0.00 O ATOM 23 CB PRO A 1 4.725 -4.587 1.249 1.00 0.00 C ATOM 24 CG PRO A 1 3.757 -4.208 2.365 1.00 0.00 C ATOM 25 CD PRO A 1 2.891 -3.115 1.745 1.00 0.00 C ATOM 0 HA PRO A 1 5.946 -2.752 0.919 1.00 0.00 H new ATOM 0 HB2 PRO A 1 4.274 -5.297 0.556 1.00 0.00 H new ATOM 0 HB3 PRO A 1 5.625 -5.057 1.646 1.00 0.00 H new ATOM 0 HG2 PRO A 1 3.157 -5.062 2.681 1.00 0.00 H new ATOM 0 HG3 PRO A 1 4.286 -3.846 3.247 1.00 0.00 H new ATOM 0 HD2 PRO A 1 2.043 -3.530 1.200 1.00 0.00 H new ATOM 0 HD3 PRO A 1 2.486 -2.441 2.500 1.00 0.00 H new ATOM 33 N VAL A 2 6.604 -2.946 -1.337 1.00 0.00 N ATOM 34 CA VAL A 2 7.116 -3.034 -2.743 1.00 0.00 C ATOM 35 C VAL A 2 8.277 -4.084 -2.884 1.00 0.00 C ATOM 36 O VAL A 2 8.702 -4.731 -1.920 1.00 0.00 O ATOM 37 CB VAL A 2 7.425 -1.601 -3.321 1.00 0.00 C ATOM 38 CG1 VAL A 2 6.155 -0.744 -3.514 1.00 0.00 C ATOM 39 CG2 VAL A 2 8.486 -0.782 -2.551 1.00 0.00 C ATOM 0 H VAL A 2 7.244 -2.474 -0.699 1.00 0.00 H new ATOM 0 HA VAL A 2 6.328 -3.432 -3.382 1.00 0.00 H new ATOM 0 HB VAL A 2 7.861 -1.831 -4.293 1.00 0.00 H new ATOM 0 HG11 VAL A 2 6.432 0.231 -3.914 1.00 0.00 H new ATOM 0 HG12 VAL A 2 5.481 -1.244 -4.210 1.00 0.00 H new ATOM 0 HG13 VAL A 2 5.655 -0.614 -2.554 1.00 0.00 H new ATOM 0 HG21 VAL A 2 8.620 0.186 -3.034 1.00 0.00 H new ATOM 0 HG22 VAL A 2 8.154 -0.632 -1.524 1.00 0.00 H new ATOM 0 HG23 VAL A 2 9.433 -1.322 -2.551 1.00 0.00 H new ATOM 49 N ASP A 3 8.770 -4.306 -4.119 1.00 0.00 N ATOM 50 CA ASP A 3 9.732 -5.401 -4.425 1.00 0.00 C ATOM 51 C ASP A 3 11.213 -5.075 -4.024 1.00 0.00 C ATOM 52 O ASP A 3 12.048 -4.770 -4.884 1.00 0.00 O ATOM 53 CB ASP A 3 9.542 -5.740 -5.931 1.00 0.00 C ATOM 54 CG ASP A 3 10.253 -7.007 -6.412 1.00 0.00 C ATOM 55 OD1 ASP A 3 9.661 -8.040 -6.707 1.00 0.00 O ATOM 56 OD2 ASP A 3 11.610 -6.850 -6.474 1.00 0.00 O ATOM 0 H ASP A 3 8.520 -3.741 -4.930 1.00 0.00 H new ATOM 0 HA ASP A 3 9.519 -6.277 -3.812 1.00 0.00 H new ATOM 0 HB2 ASP A 3 8.476 -5.844 -6.131 1.00 0.00 H new ATOM 0 HB3 ASP A 3 9.897 -4.897 -6.524 1.00 0.00 H new ATOM 62 N PHE A 4 11.555 -5.268 -2.740 1.00 0.00 N ATOM 63 CA PHE A 4 12.975 -5.262 -2.265 1.00 0.00 C ATOM 64 C PHE A 4 13.828 -6.530 -2.651 1.00 0.00 C ATOM 65 O PHE A 4 15.052 -6.472 -2.540 1.00 0.00 O ATOM 66 CB PHE A 4 13.008 -4.956 -0.734 1.00 0.00 C ATOM 67 CG PHE A 4 12.713 -3.511 -0.252 1.00 0.00 C ATOM 68 CD1 PHE A 4 11.484 -2.888 -0.504 1.00 0.00 C ATOM 69 CD2 PHE A 4 13.662 -2.834 0.525 1.00 0.00 C ATOM 70 CE1 PHE A 4 11.223 -1.609 -0.022 1.00 0.00 C ATOM 71 CE2 PHE A 4 13.388 -1.563 1.028 1.00 0.00 C ATOM 72 CZ PHE A 4 12.171 -0.952 0.750 1.00 0.00 C ATOM 0 H PHE A 4 10.874 -5.432 -1.998 1.00 0.00 H new ATOM 0 HA PHE A 4 13.478 -4.464 -2.810 1.00 0.00 H new ATOM 0 HB2 PHE A 4 12.290 -5.618 -0.250 1.00 0.00 H new ATOM 0 HB3 PHE A 4 13.995 -5.232 -0.364 1.00 0.00 H new ATOM 0 HD1 PHE A 4 10.731 -3.406 -1.079 1.00 0.00 H new ATOM 0 HD2 PHE A 4 14.613 -3.300 0.736 1.00 0.00 H new ATOM 0 HE1 PHE A 4 10.283 -1.128 -0.249 1.00 0.00 H new ATOM 0 HE2 PHE A 4 14.122 -1.053 1.634 1.00 0.00 H new ATOM 0 HZ PHE A 4 11.963 0.035 1.135 1.00 0.00 H new ATOM 82 N ASN A 5 13.225 -7.630 -3.153 1.00 0.00 N ATOM 83 CA ASN A 5 13.916 -8.788 -3.788 1.00 0.00 C ATOM 84 C ASN A 5 15.027 -8.430 -4.830 1.00 0.00 C ATOM 85 O ASN A 5 14.741 -7.767 -5.834 1.00 0.00 O ATOM 86 CB ASN A 5 12.826 -9.635 -4.518 1.00 0.00 C ATOM 87 CG ASN A 5 11.671 -10.175 -3.670 1.00 0.00 C ATOM 88 OD1 ASN A 5 10.700 -9.485 -3.374 1.00 0.00 O ATOM 89 ND2 ASN A 5 11.772 -11.392 -3.211 1.00 0.00 N ATOM 0 H ASN A 5 12.212 -7.746 -3.130 1.00 0.00 H new ATOM 0 HA ASN A 5 14.429 -9.315 -2.984 1.00 0.00 H new ATOM 0 HB2 ASN A 5 12.402 -9.024 -5.315 1.00 0.00 H new ATOM 0 HB3 ASN A 5 13.320 -10.482 -4.994 1.00 0.00 H new ATOM 0 HD21 ASN A 5 11.044 -11.771 -2.606 1.00 0.00 H new ATOM 0 HD22 ASN A 5 12.579 -11.965 -3.458 1.00 0.00 H new ATOM 96 N GLY A 6 16.273 -8.887 -4.616 1.00 0.00 N ATOM 97 CA GLY A 6 17.353 -8.672 -5.611 1.00 0.00 C ATOM 98 C GLY A 6 18.787 -8.675 -5.059 1.00 0.00 C ATOM 99 O GLY A 6 19.032 -8.699 -3.851 1.00 0.00 O ATOM 0 H GLY A 6 16.560 -9.399 -3.782 1.00 0.00 H new ATOM 0 HA2 GLY A 6 17.277 -9.447 -6.374 1.00 0.00 H new ATOM 0 HA3 GLY A 6 17.178 -7.718 -6.108 1.00 0.00 H new ATOM 103 N TYR A 7 19.740 -8.597 -5.997 1.00 0.00 N ATOM 104 CA TYR A 7 21.164 -8.305 -5.681 1.00 0.00 C ATOM 105 C TYR A 7 21.445 -6.814 -6.055 1.00 0.00 C ATOM 106 O TYR A 7 21.260 -6.395 -7.205 1.00 0.00 O ATOM 107 CB TYR A 7 22.077 -9.318 -6.429 1.00 0.00 C ATOM 108 CG TYR A 7 23.519 -9.425 -5.894 1.00 0.00 C ATOM 109 CD1 TYR A 7 24.475 -8.466 -6.249 1.00 0.00 C ATOM 110 CD2 TYR A 7 23.899 -10.494 -5.078 1.00 0.00 C ATOM 111 CE1 TYR A 7 25.785 -8.576 -5.796 1.00 0.00 C ATOM 112 CE2 TYR A 7 25.208 -10.592 -4.605 1.00 0.00 C ATOM 113 CZ TYR A 7 26.148 -9.627 -4.960 1.00 0.00 C ATOM 114 OH TYR A 7 27.422 -9.697 -4.459 1.00 0.00 O ATOM 0 H TYR A 7 19.559 -8.732 -6.992 1.00 0.00 H new ATOM 0 HA TYR A 7 21.381 -8.426 -4.620 1.00 0.00 H new ATOM 0 HB2 TYR A 7 21.615 -10.304 -6.380 1.00 0.00 H new ATOM 0 HB3 TYR A 7 22.117 -9.037 -7.481 1.00 0.00 H new ATOM 0 HD1 TYR A 7 24.193 -7.635 -6.879 1.00 0.00 H new ATOM 0 HD2 TYR A 7 23.175 -11.249 -4.812 1.00 0.00 H new ATOM 0 HE1 TYR A 7 26.522 -7.844 -6.094 1.00 0.00 H new ATOM 0 HE2 TYR A 7 25.492 -11.414 -3.965 1.00 0.00 H new ATOM 0 HH TYR A 7 27.804 -8.796 -4.410 1.00 0.00 H new ATOM 124 N TRP A 8 21.871 -6.028 -5.060 1.00 0.00 N ATOM 125 CA TRP A 8 21.987 -4.553 -5.168 1.00 0.00 C ATOM 126 C TRP A 8 23.478 -4.163 -4.912 1.00 0.00 C ATOM 127 O TRP A 8 24.031 -4.457 -3.845 1.00 0.00 O ATOM 128 CB TRP A 8 21.038 -3.879 -4.130 1.00 0.00 C ATOM 129 CG TRP A 8 19.538 -4.234 -4.172 1.00 0.00 C ATOM 130 CD1 TRP A 8 18.945 -5.331 -3.504 1.00 0.00 C ATOM 131 CD2 TRP A 8 18.485 -3.555 -4.765 1.00 0.00 C ATOM 132 NE1 TRP A 8 17.555 -5.371 -3.695 1.00 0.00 N ATOM 133 CE2 TRP A 8 17.287 -4.254 -4.461 1.00 0.00 C ATOM 134 CE3 TRP A 8 18.437 -2.344 -5.502 1.00 0.00 C ATOM 135 CZ2 TRP A 8 16.038 -3.744 -4.880 1.00 0.00 C ATOM 136 CZ3 TRP A 8 17.189 -1.857 -5.901 1.00 0.00 C ATOM 137 CH2 TRP A 8 16.009 -2.545 -5.596 1.00 0.00 C ATOM 0 H TRP A 8 22.149 -6.391 -4.148 1.00 0.00 H new ATOM 0 HA TRP A 8 21.693 -4.210 -6.160 1.00 0.00 H new ATOM 0 HB2 TRP A 8 21.409 -4.121 -3.134 1.00 0.00 H new ATOM 0 HB3 TRP A 8 21.128 -2.799 -4.250 1.00 0.00 H new ATOM 0 HD1 TRP A 8 19.496 -6.051 -2.917 1.00 0.00 H new ATOM 0 HE1 TRP A 8 16.894 -6.066 -3.348 1.00 0.00 H new ATOM 0 HE3 TRP A 8 19.343 -1.811 -5.749 1.00 0.00 H new ATOM 0 HZ2 TRP A 8 15.123 -4.271 -4.651 1.00 0.00 H new ATOM 0 HZ3 TRP A 8 17.134 -0.932 -6.455 1.00 0.00 H new ATOM 0 HH2 TRP A 8 15.061 -2.142 -5.920 1.00 0.00 H new ATOM 148 N LYS A 9 24.133 -3.496 -5.875 1.00 0.00 N ATOM 149 CA LYS A 9 25.542 -3.024 -5.723 1.00 0.00 C ATOM 150 C LYS A 9 25.620 -1.594 -5.110 1.00 0.00 C ATOM 151 O LYS A 9 24.862 -0.712 -5.521 1.00 0.00 O ATOM 152 CB LYS A 9 26.293 -3.123 -7.083 1.00 0.00 C ATOM 153 CG LYS A 9 25.883 -2.133 -8.206 1.00 0.00 C ATOM 154 CD LYS A 9 26.779 -2.229 -9.453 1.00 0.00 C ATOM 155 CE LYS A 9 26.279 -1.320 -10.587 1.00 0.00 C ATOM 156 NZ LYS A 9 27.158 -1.464 -11.764 1.00 0.00 N ATOM 0 H LYS A 9 23.717 -3.264 -6.777 1.00 0.00 H new ATOM 0 HA LYS A 9 26.044 -3.681 -5.013 1.00 0.00 H new ATOM 0 HB2 LYS A 9 27.357 -2.989 -6.889 1.00 0.00 H new ATOM 0 HB3 LYS A 9 26.164 -4.136 -7.465 1.00 0.00 H new ATOM 0 HG2 LYS A 9 24.849 -2.327 -8.493 1.00 0.00 H new ATOM 0 HG3 LYS A 9 25.921 -1.116 -7.817 1.00 0.00 H new ATOM 0 HD2 LYS A 9 27.800 -1.953 -9.189 1.00 0.00 H new ATOM 0 HD3 LYS A 9 26.808 -3.262 -9.801 1.00 0.00 H new ATOM 0 HE2 LYS A 9 25.255 -1.582 -10.852 1.00 0.00 H new ATOM 0 HE3 LYS A 9 26.266 -0.282 -10.255 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 26.817 -0.848 -12.529 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 28.129 -1.193 -11.508 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 27.148 -2.453 -12.086 1.00 0.00 H new ATOM 169 N MET A 10 26.547 -1.334 -4.171 1.00 0.00 N ATOM 170 CA MET A 10 26.725 0.030 -3.595 1.00 0.00 C ATOM 171 C MET A 10 27.412 1.016 -4.597 1.00 0.00 C ATOM 172 O MET A 10 28.546 0.814 -5.043 1.00 0.00 O ATOM 173 CB MET A 10 27.486 -0.095 -2.257 1.00 0.00 C ATOM 174 CG MET A 10 27.692 1.222 -1.478 1.00 0.00 C ATOM 175 SD MET A 10 28.782 0.956 -0.073 1.00 0.00 S ATOM 176 CE MET A 10 27.649 0.215 1.109 1.00 0.00 C ATOM 0 H MET A 10 27.183 -2.036 -3.792 1.00 0.00 H new ATOM 0 HA MET A 10 25.747 0.470 -3.402 1.00 0.00 H new ATOM 0 HB2 MET A 10 26.946 -0.793 -1.617 1.00 0.00 H new ATOM 0 HB3 MET A 10 28.463 -0.535 -2.456 1.00 0.00 H new ATOM 0 HG2 MET A 10 28.116 1.979 -2.137 1.00 0.00 H new ATOM 0 HG3 MET A 10 26.730 1.602 -1.133 1.00 0.00 H new ATOM 0 HE1 MET A 10 28.168 0.042 2.052 1.00 0.00 H new ATOM 0 HE2 MET A 10 26.807 0.887 1.276 1.00 0.00 H new ATOM 0 HE3 MET A 10 27.284 -0.734 0.717 1.00 0.00 H new ATOM 186 N LEU A 11 26.707 2.115 -4.890 1.00 0.00 N ATOM 187 CA LEU A 11 27.280 3.295 -5.592 1.00 0.00 C ATOM 188 C LEU A 11 28.066 4.259 -4.637 1.00 0.00 C ATOM 189 O LEU A 11 29.179 4.663 -4.979 1.00 0.00 O ATOM 190 CB LEU A 11 26.141 4.055 -6.338 1.00 0.00 C ATOM 191 CG LEU A 11 25.350 3.318 -7.455 1.00 0.00 C ATOM 192 CD1 LEU A 11 24.283 4.262 -8.037 1.00 0.00 C ATOM 193 CD2 LEU A 11 26.245 2.806 -8.598 1.00 0.00 C ATOM 0 H LEU A 11 25.721 2.222 -4.651 1.00 0.00 H new ATOM 0 HA LEU A 11 28.012 2.927 -6.310 1.00 0.00 H new ATOM 0 HB2 LEU A 11 25.422 4.387 -5.589 1.00 0.00 H new ATOM 0 HB3 LEU A 11 26.577 4.951 -6.780 1.00 0.00 H new ATOM 0 HG LEU A 11 24.891 2.445 -6.990 1.00 0.00 H new ATOM 0 HD11 LEU A 11 23.728 3.745 -8.820 1.00 0.00 H new ATOM 0 HD12 LEU A 11 23.597 4.567 -7.247 1.00 0.00 H new ATOM 0 HD13 LEU A 11 24.767 5.144 -8.457 1.00 0.00 H new ATOM 0 HD21 LEU A 11 25.630 2.302 -9.344 1.00 0.00 H new ATOM 0 HD22 LEU A 11 26.760 3.647 -9.061 1.00 0.00 H new ATOM 0 HD23 LEU A 11 26.979 2.106 -8.199 1.00 0.00 H new ATOM 205 N SER A 12 27.498 4.642 -3.474 1.00 0.00 N ATOM 206 CA SER A 12 28.153 5.554 -2.493 1.00 0.00 C ATOM 207 C SER A 12 27.989 5.074 -1.013 1.00 0.00 C ATOM 208 O SER A 12 26.946 4.537 -0.624 1.00 0.00 O ATOM 209 CB SER A 12 27.592 6.988 -2.685 1.00 0.00 C ATOM 210 OG SER A 12 26.212 7.088 -2.318 1.00 0.00 O ATOM 0 H SER A 12 26.571 4.331 -3.182 1.00 0.00 H new ATOM 0 HA SER A 12 29.225 5.547 -2.688 1.00 0.00 H new ATOM 0 HB2 SER A 12 28.176 7.687 -2.086 1.00 0.00 H new ATOM 0 HB3 SER A 12 27.710 7.285 -3.727 1.00 0.00 H new ATOM 0 HG SER A 12 25.903 8.008 -2.454 1.00 0.00 H new ATOM 216 N ASN A 13 29.013 5.331 -0.175 1.00 0.00 N ATOM 217 CA ASN A 13 28.923 5.182 1.309 1.00 0.00 C ATOM 218 C ASN A 13 29.314 6.520 2.025 1.00 0.00 C ATOM 219 O ASN A 13 30.450 6.710 2.469 1.00 0.00 O ATOM 220 CB ASN A 13 29.659 3.902 1.804 1.00 0.00 C ATOM 221 CG ASN A 13 31.105 3.629 1.356 1.00 0.00 C ATOM 222 OD1 ASN A 13 31.896 4.517 1.063 1.00 0.00 O ATOM 223 ND2 ASN A 13 31.512 2.384 1.304 1.00 0.00 N ATOM 0 H ASN A 13 29.928 5.647 -0.497 1.00 0.00 H new ATOM 0 HA ASN A 13 27.887 5.008 1.598 1.00 0.00 H new ATOM 0 HB2 ASN A 13 29.656 3.926 2.894 1.00 0.00 H new ATOM 0 HB3 ASN A 13 29.058 3.044 1.502 1.00 0.00 H new ATOM 0 HD21 ASN A 13 32.470 2.172 1.024 1.00 0.00 H new ATOM 0 HD22 ASN A 13 30.871 1.628 1.544 1.00 0.00 H new ATOM 230 N GLU A 14 28.361 7.469 2.119 1.00 0.00 N ATOM 231 CA GLU A 14 28.643 8.874 2.526 1.00 0.00 C ATOM 232 C GLU A 14 28.417 9.084 4.053 1.00 0.00 C ATOM 233 O GLU A 14 27.346 8.774 4.582 1.00 0.00 O ATOM 234 CB GLU A 14 27.752 9.799 1.646 1.00 0.00 C ATOM 235 CG GLU A 14 27.908 11.326 1.863 1.00 0.00 C ATOM 236 CD GLU A 14 29.297 11.882 1.548 1.00 0.00 C ATOM 237 OE1 GLU A 14 30.219 11.881 2.360 1.00 0.00 O ATOM 238 OE2 GLU A 14 29.390 12.352 0.269 1.00 0.00 O ATOM 0 H GLU A 14 27.377 7.292 1.918 1.00 0.00 H new ATOM 0 HA GLU A 14 29.692 9.122 2.362 1.00 0.00 H new ATOM 0 HB2 GLU A 14 27.964 9.580 0.599 1.00 0.00 H new ATOM 0 HB3 GLU A 14 26.709 9.535 1.822 1.00 0.00 H new ATOM 0 HG2 GLU A 14 27.176 11.843 1.242 1.00 0.00 H new ATOM 0 HG3 GLU A 14 27.667 11.557 2.900 1.00 0.00 H new ATOM 246 N ASN A 15 29.439 9.601 4.766 1.00 0.00 N ATOM 247 CA ASN A 15 29.453 9.670 6.267 1.00 0.00 C ATOM 248 C ASN A 15 29.328 8.303 7.048 1.00 0.00 C ATOM 249 O ASN A 15 28.956 8.268 8.225 1.00 0.00 O ATOM 250 CB ASN A 15 28.483 10.805 6.718 1.00 0.00 C ATOM 251 CG ASN A 15 28.704 11.353 8.130 1.00 0.00 C ATOM 252 OD1 ASN A 15 29.822 11.593 8.573 1.00 0.00 O ATOM 253 ND2 ASN A 15 27.655 11.603 8.870 1.00 0.00 N ATOM 0 H ASN A 15 30.280 9.984 4.333 1.00 0.00 H new ATOM 0 HA ASN A 15 30.466 9.932 6.574 1.00 0.00 H new ATOM 0 HB2 ASN A 15 28.568 11.631 6.012 1.00 0.00 H new ATOM 0 HB3 ASN A 15 27.461 10.431 6.650 1.00 0.00 H new ATOM 0 HD21 ASN A 15 27.772 11.994 9.805 1.00 0.00 H new ATOM 0 HD22 ASN A 15 26.720 11.407 8.512 1.00 0.00 H new ATOM 260 N PHE A 16 29.729 7.182 6.416 1.00 0.00 N ATOM 261 CA PHE A 16 29.821 5.850 7.074 1.00 0.00 C ATOM 262 C PHE A 16 30.924 5.734 8.182 1.00 0.00 C ATOM 263 O PHE A 16 30.652 5.175 9.245 1.00 0.00 O ATOM 264 CB PHE A 16 29.924 4.799 5.928 1.00 0.00 C ATOM 265 CG PHE A 16 29.737 3.308 6.276 1.00 0.00 C ATOM 266 CD1 PHE A 16 28.743 2.871 7.163 1.00 0.00 C ATOM 267 CD2 PHE A 16 30.512 2.356 5.604 1.00 0.00 C ATOM 268 CE1 PHE A 16 28.561 1.512 7.407 1.00 0.00 C ATOM 269 CE2 PHE A 16 30.305 0.996 5.825 1.00 0.00 C ATOM 270 CZ PHE A 16 29.339 0.576 6.733 1.00 0.00 C ATOM 0 H PHE A 16 30.000 7.168 5.433 1.00 0.00 H new ATOM 0 HA PHE A 16 28.927 5.665 7.669 1.00 0.00 H new ATOM 0 HB2 PHE A 16 29.182 5.058 5.173 1.00 0.00 H new ATOM 0 HB3 PHE A 16 30.904 4.910 5.464 1.00 0.00 H new ATOM 0 HD1 PHE A 16 28.114 3.594 7.661 1.00 0.00 H new ATOM 0 HD2 PHE A 16 31.275 2.677 4.910 1.00 0.00 H new ATOM 0 HE1 PHE A 16 27.817 1.185 8.118 1.00 0.00 H new ATOM 0 HE2 PHE A 16 30.896 0.267 5.290 1.00 0.00 H new ATOM 0 HZ PHE A 16 29.193 -0.478 6.915 1.00 0.00 H new ATOM 280 N GLU A 17 32.123 6.315 7.973 1.00 0.00 N ATOM 281 CA GLU A 17 33.206 6.411 8.999 1.00 0.00 C ATOM 282 C GLU A 17 32.780 7.036 10.374 1.00 0.00 C ATOM 283 O GLU A 17 32.999 6.414 11.418 1.00 0.00 O ATOM 284 CB GLU A 17 34.490 7.133 8.455 1.00 0.00 C ATOM 285 CG GLU A 17 34.841 7.092 6.942 1.00 0.00 C ATOM 286 CD GLU A 17 34.087 8.100 6.054 1.00 0.00 C ATOM 287 OE1 GLU A 17 33.112 8.753 6.423 1.00 0.00 O ATOM 288 OE2 GLU A 17 34.620 8.175 4.800 1.00 0.00 O ATOM 0 H GLU A 17 32.379 6.738 7.081 1.00 0.00 H new ATOM 0 HA GLU A 17 33.440 5.367 9.205 1.00 0.00 H new ATOM 0 HB2 GLU A 17 34.412 8.183 8.738 1.00 0.00 H new ATOM 0 HB3 GLU A 17 35.343 6.720 8.994 1.00 0.00 H new ATOM 0 HG2 GLU A 17 35.911 7.267 6.831 1.00 0.00 H new ATOM 0 HG3 GLU A 17 34.642 6.087 6.569 1.00 0.00 H new ATOM 296 N GLU A 18 32.174 8.243 10.389 1.00 0.00 N ATOM 297 CA GLU A 18 31.678 8.876 11.643 1.00 0.00 C ATOM 298 C GLU A 18 30.400 8.228 12.274 1.00 0.00 C ATOM 299 O GLU A 18 30.348 8.113 13.500 1.00 0.00 O ATOM 300 CB GLU A 18 31.559 10.400 11.385 1.00 0.00 C ATOM 301 CG GLU A 18 31.266 11.280 12.625 1.00 0.00 C ATOM 302 CD GLU A 18 32.325 11.247 13.726 1.00 0.00 C ATOM 303 OE1 GLU A 18 32.181 10.662 14.797 1.00 0.00 O ATOM 304 OE2 GLU A 18 33.453 11.928 13.381 1.00 0.00 O ATOM 0 H GLU A 18 32.014 8.802 9.551 1.00 0.00 H new ATOM 0 HA GLU A 18 32.407 8.688 12.431 1.00 0.00 H new ATOM 0 HB2 GLU A 18 32.488 10.745 10.931 1.00 0.00 H new ATOM 0 HB3 GLU A 18 30.768 10.563 10.654 1.00 0.00 H new ATOM 0 HG2 GLU A 18 31.144 12.312 12.295 1.00 0.00 H new ATOM 0 HG3 GLU A 18 30.314 10.967 13.053 1.00 0.00 H new ATOM 312 N TYR A 19 29.413 7.750 11.486 1.00 0.00 N ATOM 313 CA TYR A 19 28.372 6.786 11.971 1.00 0.00 C ATOM 314 C TYR A 19 28.937 5.525 12.720 1.00 0.00 C ATOM 315 O TYR A 19 28.493 5.214 13.827 1.00 0.00 O ATOM 316 CB TYR A 19 27.474 6.449 10.743 1.00 0.00 C ATOM 317 CG TYR A 19 26.491 5.271 10.901 1.00 0.00 C ATOM 318 CD1 TYR A 19 25.281 5.420 11.581 1.00 0.00 C ATOM 319 CD2 TYR A 19 26.868 4.004 10.436 1.00 0.00 C ATOM 320 CE1 TYR A 19 24.463 4.312 11.803 1.00 0.00 C ATOM 321 CE2 TYR A 19 26.048 2.902 10.656 1.00 0.00 C ATOM 322 CZ TYR A 19 24.846 3.058 11.338 1.00 0.00 C ATOM 323 OH TYR A 19 24.037 1.976 11.558 1.00 0.00 O ATOM 0 H TYR A 19 29.306 8.011 10.506 1.00 0.00 H new ATOM 0 HA TYR A 19 27.780 7.252 12.759 1.00 0.00 H new ATOM 0 HB2 TYR A 19 26.899 7.339 10.489 1.00 0.00 H new ATOM 0 HB3 TYR A 19 28.125 6.237 9.895 1.00 0.00 H new ATOM 0 HD1 TYR A 19 24.978 6.394 11.936 1.00 0.00 H new ATOM 0 HD2 TYR A 19 27.800 3.882 9.904 1.00 0.00 H new ATOM 0 HE1 TYR A 19 23.531 4.428 12.337 1.00 0.00 H new ATOM 0 HE2 TYR A 19 26.344 1.927 10.298 1.00 0.00 H new ATOM 0 HH TYR A 19 24.448 1.176 11.169 1.00 0.00 H new ATOM 333 N LEU A 20 29.920 4.826 12.134 1.00 0.00 N ATOM 334 CA LEU A 20 30.661 3.737 12.820 1.00 0.00 C ATOM 335 C LEU A 20 31.482 4.171 14.086 1.00 0.00 C ATOM 336 O LEU A 20 31.431 3.461 15.095 1.00 0.00 O ATOM 337 CB LEU A 20 31.558 3.047 11.764 1.00 0.00 C ATOM 338 CG LEU A 20 30.888 2.265 10.601 1.00 0.00 C ATOM 339 CD1 LEU A 20 31.943 1.850 9.562 1.00 0.00 C ATOM 340 CD2 LEU A 20 30.132 1.021 11.076 1.00 0.00 C ATOM 0 H LEU A 20 30.229 4.992 11.176 1.00 0.00 H new ATOM 0 HA LEU A 20 29.924 3.048 13.233 1.00 0.00 H new ATOM 0 HB2 LEU A 20 32.194 3.814 11.321 1.00 0.00 H new ATOM 0 HB3 LEU A 20 32.214 2.354 12.291 1.00 0.00 H new ATOM 0 HG LEU A 20 30.160 2.941 10.153 1.00 0.00 H new ATOM 0 HD11 LEU A 20 31.461 1.303 8.752 1.00 0.00 H new ATOM 0 HD12 LEU A 20 32.428 2.740 9.160 1.00 0.00 H new ATOM 0 HD13 LEU A 20 32.690 1.213 10.036 1.00 0.00 H new ATOM 0 HD21 LEU A 20 29.686 0.517 10.219 1.00 0.00 H new ATOM 0 HD22 LEU A 20 30.824 0.343 11.576 1.00 0.00 H new ATOM 0 HD23 LEU A 20 29.347 1.316 11.772 1.00 0.00 H new ATOM 352 N ARG A 21 32.191 5.323 14.083 1.00 0.00 N ATOM 353 CA ARG A 21 32.799 5.893 15.327 1.00 0.00 C ATOM 354 C ARG A 21 31.773 6.285 16.451 1.00 0.00 C ATOM 355 O ARG A 21 31.974 5.912 17.608 1.00 0.00 O ATOM 356 CB ARG A 21 33.721 7.088 14.959 1.00 0.00 C ATOM 357 CG ARG A 21 34.745 7.468 16.060 1.00 0.00 C ATOM 358 CD ARG A 21 35.681 8.634 15.689 1.00 0.00 C ATOM 359 NE ARG A 21 34.998 9.947 15.832 1.00 0.00 N ATOM 360 CZ ARG A 21 35.598 11.131 15.733 1.00 0.00 C ATOM 361 NH1 ARG A 21 36.864 11.301 15.419 1.00 0.00 N ATOM 362 NH2 ARG A 21 34.879 12.197 15.951 1.00 0.00 N ATOM 0 H ARG A 21 32.360 5.879 13.245 1.00 0.00 H new ATOM 0 HA ARG A 21 33.386 5.089 15.771 1.00 0.00 H new ATOM 0 HB2 ARG A 21 34.262 6.846 14.044 1.00 0.00 H new ATOM 0 HB3 ARG A 21 33.100 7.957 14.741 1.00 0.00 H new ATOM 0 HG2 ARG A 21 34.202 7.730 16.968 1.00 0.00 H new ATOM 0 HG3 ARG A 21 35.351 6.592 16.292 1.00 0.00 H new ATOM 0 HD2 ARG A 21 36.564 8.610 16.328 1.00 0.00 H new ATOM 0 HD3 ARG A 21 36.027 8.512 14.662 1.00 0.00 H new ATOM 0 HE ARG A 21 33.995 9.940 16.020 1.00 0.00 H new ATOM 0 HH11 ARG A 21 37.456 10.492 15.232 1.00 0.00 H new ATOM 0 HH12 ARG A 21 37.254 12.242 15.362 1.00 0.00 H new ATOM 0 HH21 ARG A 21 33.891 12.106 16.188 1.00 0.00 H new ATOM 0 HH22 ARG A 21 35.305 13.122 15.884 1.00 0.00 H new ATOM 376 N ALA A 22 30.657 6.959 16.108 1.00 0.00 N ATOM 377 CA ALA A 22 29.447 7.061 16.971 1.00 0.00 C ATOM 378 C ALA A 22 28.854 5.739 17.579 1.00 0.00 C ATOM 379 O ALA A 22 28.288 5.782 18.678 1.00 0.00 O ATOM 380 CB ALA A 22 28.410 7.807 16.102 1.00 0.00 C ATOM 0 H ALA A 22 30.562 7.453 15.221 1.00 0.00 H new ATOM 0 HA ALA A 22 29.734 7.579 17.886 1.00 0.00 H new ATOM 0 HB1 ALA A 22 27.483 7.926 16.663 1.00 0.00 H new ATOM 0 HB2 ALA A 22 28.800 8.789 15.833 1.00 0.00 H new ATOM 0 HB3 ALA A 22 28.214 7.233 15.196 1.00 0.00 H new ATOM 386 N LEU A 23 29.019 4.582 16.904 1.00 0.00 N ATOM 387 CA LEU A 23 28.728 3.242 17.490 1.00 0.00 C ATOM 388 C LEU A 23 29.892 2.563 18.294 1.00 0.00 C ATOM 389 O LEU A 23 29.711 1.441 18.774 1.00 0.00 O ATOM 390 CB LEU A 23 28.280 2.321 16.320 1.00 0.00 C ATOM 391 CG LEU A 23 26.964 2.688 15.591 1.00 0.00 C ATOM 392 CD1 LEU A 23 26.784 1.816 14.340 1.00 0.00 C ATOM 393 CD2 LEU A 23 25.743 2.567 16.506 1.00 0.00 C ATOM 0 H LEU A 23 29.356 4.542 15.942 1.00 0.00 H new ATOM 0 HA LEU A 23 27.955 3.393 18.244 1.00 0.00 H new ATOM 0 HB2 LEU A 23 29.081 2.301 15.581 1.00 0.00 H new ATOM 0 HB3 LEU A 23 28.179 1.307 16.708 1.00 0.00 H new ATOM 0 HG LEU A 23 27.041 3.733 15.291 1.00 0.00 H new ATOM 0 HD11 LEU A 23 25.855 2.086 13.839 1.00 0.00 H new ATOM 0 HD12 LEU A 23 27.622 1.976 13.661 1.00 0.00 H new ATOM 0 HD13 LEU A 23 26.748 0.766 14.630 1.00 0.00 H new ATOM 0 HD21 LEU A 23 24.844 2.834 15.950 1.00 0.00 H new ATOM 0 HD22 LEU A 23 25.657 1.541 16.864 1.00 0.00 H new ATOM 0 HD23 LEU A 23 25.857 3.239 17.356 1.00 0.00 H new ATOM 405 N ASP A 24 31.075 3.198 18.437 1.00 0.00 N ATOM 406 CA ASP A 24 32.317 2.562 18.977 1.00 0.00 C ATOM 407 C ASP A 24 32.880 1.359 18.137 1.00 0.00 C ATOM 408 O ASP A 24 33.406 0.390 18.692 1.00 0.00 O ATOM 409 CB ASP A 24 32.196 2.270 20.505 1.00 0.00 C ATOM 410 CG ASP A 24 32.032 3.489 21.413 1.00 0.00 C ATOM 411 OD1 ASP A 24 30.979 3.780 21.969 1.00 0.00 O ATOM 412 OD2 ASP A 24 33.193 4.198 21.540 1.00 0.00 O ATOM 0 H ASP A 24 31.206 4.177 18.181 1.00 0.00 H new ATOM 0 HA ASP A 24 33.098 3.312 18.858 1.00 0.00 H new ATOM 0 HB2 ASP A 24 31.344 1.609 20.661 1.00 0.00 H new ATOM 0 HB3 ASP A 24 33.085 1.724 20.821 1.00 0.00 H new ATOM 418 N VAL A 25 32.832 1.451 16.794 1.00 0.00 N ATOM 419 CA VAL A 25 33.359 0.388 15.884 1.00 0.00 C ATOM 420 C VAL A 25 34.847 0.725 15.511 1.00 0.00 C ATOM 421 O VAL A 25 35.223 1.880 15.281 1.00 0.00 O ATOM 422 CB VAL A 25 32.401 0.204 14.656 1.00 0.00 C ATOM 423 CG1 VAL A 25 32.903 -0.865 13.660 1.00 0.00 C ATOM 424 CG2 VAL A 25 30.945 -0.181 15.028 1.00 0.00 C ATOM 0 H VAL A 25 32.433 2.251 16.303 1.00 0.00 H new ATOM 0 HA VAL A 25 33.378 -0.583 16.379 1.00 0.00 H new ATOM 0 HB VAL A 25 32.404 1.194 14.201 1.00 0.00 H new ATOM 0 HG11 VAL A 25 32.200 -0.949 12.831 1.00 0.00 H new ATOM 0 HG12 VAL A 25 33.882 -0.575 13.278 1.00 0.00 H new ATOM 0 HG13 VAL A 25 32.982 -1.827 14.167 1.00 0.00 H new ATOM 0 HG21 VAL A 25 30.353 -0.288 14.119 1.00 0.00 H new ATOM 0 HG22 VAL A 25 30.946 -1.125 15.573 1.00 0.00 H new ATOM 0 HG23 VAL A 25 30.511 0.599 15.654 1.00 0.00 H new ATOM 434 N ASN A 26 35.706 -0.307 15.457 1.00 0.00 N ATOM 435 CA ASN A 26 37.178 -0.152 15.315 1.00 0.00 C ATOM 436 C ASN A 26 37.686 0.433 13.953 1.00 0.00 C ATOM 437 O ASN A 26 37.135 0.165 12.880 1.00 0.00 O ATOM 438 CB ASN A 26 37.837 -1.516 15.677 1.00 0.00 C ATOM 439 CG ASN A 26 37.381 -2.763 14.899 1.00 0.00 C ATOM 440 OD1 ASN A 26 36.331 -3.341 15.156 1.00 0.00 O ATOM 441 ND2 ASN A 26 38.129 -3.200 13.925 1.00 0.00 N ATOM 0 H ASN A 26 35.405 -1.280 15.510 1.00 0.00 H new ATOM 0 HA ASN A 26 37.490 0.627 16.010 1.00 0.00 H new ATOM 0 HB2 ASN A 26 38.914 -1.413 15.543 1.00 0.00 H new ATOM 0 HB3 ASN A 26 37.663 -1.701 16.737 1.00 0.00 H new ATOM 0 HD21 ASN A 26 37.839 -4.015 13.385 1.00 0.00 H new ATOM 0 HD22 ASN A 26 39.005 -2.727 13.703 1.00 0.00 H new ATOM 448 N VAL A 27 38.784 1.211 14.015 1.00 0.00 N ATOM 449 CA VAL A 27 39.337 1.980 12.849 1.00 0.00 C ATOM 450 C VAL A 27 39.756 1.117 11.602 1.00 0.00 C ATOM 451 O VAL A 27 39.485 1.528 10.471 1.00 0.00 O ATOM 452 CB VAL A 27 40.446 2.979 13.348 1.00 0.00 C ATOM 453 CG1 VAL A 27 41.076 3.842 12.226 1.00 0.00 C ATOM 454 CG2 VAL A 27 39.946 3.980 14.424 1.00 0.00 C ATOM 0 H VAL A 27 39.325 1.334 14.871 1.00 0.00 H new ATOM 0 HA VAL A 27 38.512 2.562 12.438 1.00 0.00 H new ATOM 0 HB VAL A 27 41.189 2.299 13.765 1.00 0.00 H new ATOM 0 HG11 VAL A 27 41.830 4.502 12.655 1.00 0.00 H new ATOM 0 HG12 VAL A 27 41.542 3.192 11.485 1.00 0.00 H new ATOM 0 HG13 VAL A 27 40.300 4.440 11.748 1.00 0.00 H new ATOM 0 HG21 VAL A 27 40.765 4.636 14.719 1.00 0.00 H new ATOM 0 HG22 VAL A 27 39.132 4.578 14.014 1.00 0.00 H new ATOM 0 HG23 VAL A 27 39.590 3.430 15.295 1.00 0.00 H new ATOM 464 N ALA A 28 40.353 -0.076 11.791 1.00 0.00 N ATOM 465 CA ALA A 28 40.573 -1.053 10.685 1.00 0.00 C ATOM 466 C ALA A 28 39.289 -1.574 9.948 1.00 0.00 C ATOM 467 O ALA A 28 39.296 -1.673 8.720 1.00 0.00 O ATOM 468 CB ALA A 28 41.430 -2.194 11.263 1.00 0.00 C ATOM 0 H ALA A 28 40.695 -0.395 12.698 1.00 0.00 H new ATOM 0 HA ALA A 28 41.084 -0.530 9.876 1.00 0.00 H new ATOM 0 HB1 ALA A 28 41.618 -2.937 10.488 1.00 0.00 H new ATOM 0 HB2 ALA A 28 42.379 -1.792 11.618 1.00 0.00 H new ATOM 0 HB3 ALA A 28 40.901 -2.662 12.093 1.00 0.00 H new ATOM 474 N LEU A 29 38.176 -1.833 10.664 1.00 0.00 N ATOM 475 CA LEU A 29 36.836 -2.019 10.033 1.00 0.00 C ATOM 476 C LEU A 29 36.288 -0.731 9.341 1.00 0.00 C ATOM 477 O LEU A 29 35.923 -0.806 8.166 1.00 0.00 O ATOM 478 CB LEU A 29 35.885 -2.634 11.102 1.00 0.00 C ATOM 479 CG LEU A 29 34.544 -3.257 10.623 1.00 0.00 C ATOM 480 CD1 LEU A 29 33.937 -4.094 11.759 1.00 0.00 C ATOM 481 CD2 LEU A 29 33.510 -2.229 10.125 1.00 0.00 C ATOM 0 H LEU A 29 38.170 -1.920 11.680 1.00 0.00 H new ATOM 0 HA LEU A 29 36.916 -2.715 9.198 1.00 0.00 H new ATOM 0 HB2 LEU A 29 36.439 -3.407 11.635 1.00 0.00 H new ATOM 0 HB3 LEU A 29 35.650 -1.854 11.826 1.00 0.00 H new ATOM 0 HG LEU A 29 34.786 -3.879 9.761 1.00 0.00 H new ATOM 0 HD11 LEU A 29 32.996 -4.532 11.426 1.00 0.00 H new ATOM 0 HD12 LEU A 29 34.630 -4.889 12.035 1.00 0.00 H new ATOM 0 HD13 LEU A 29 33.754 -3.456 12.623 1.00 0.00 H new ATOM 0 HD21 LEU A 29 32.604 -2.747 9.810 1.00 0.00 H new ATOM 0 HD22 LEU A 29 33.269 -1.535 10.931 1.00 0.00 H new ATOM 0 HD23 LEU A 29 33.924 -1.676 9.282 1.00 0.00 H new ATOM 493 N ARG A 30 36.270 0.433 10.024 1.00 0.00 N ATOM 494 CA ARG A 30 35.926 1.753 9.407 1.00 0.00 C ATOM 495 C ARG A 30 36.636 2.091 8.054 1.00 0.00 C ATOM 496 O ARG A 30 35.958 2.428 7.080 1.00 0.00 O ATOM 497 CB ARG A 30 36.176 2.883 10.443 1.00 0.00 C ATOM 498 CG ARG A 30 35.277 2.872 11.703 1.00 0.00 C ATOM 499 CD ARG A 30 35.598 3.939 12.768 1.00 0.00 C ATOM 500 NE ARG A 30 35.478 5.331 12.254 1.00 0.00 N ATOM 501 CZ ARG A 30 36.485 6.158 11.983 1.00 0.00 C ATOM 502 NH1 ARG A 30 37.753 5.826 12.026 1.00 0.00 N ATOM 503 NH2 ARG A 30 36.189 7.381 11.642 1.00 0.00 N ATOM 0 H ARG A 30 36.492 0.495 11.018 1.00 0.00 H new ATOM 0 HA ARG A 30 34.872 1.676 9.139 1.00 0.00 H new ATOM 0 HB2 ARG A 30 37.216 2.828 10.765 1.00 0.00 H new ATOM 0 HB3 ARG A 30 36.048 3.842 9.940 1.00 0.00 H new ATOM 0 HG2 ARG A 30 34.241 3.001 11.388 1.00 0.00 H new ATOM 0 HG3 ARG A 30 35.349 1.889 12.168 1.00 0.00 H new ATOM 0 HD2 ARG A 30 34.925 3.812 13.616 1.00 0.00 H new ATOM 0 HD3 ARG A 30 36.611 3.781 13.139 1.00 0.00 H new ATOM 0 HE ARG A 30 34.535 5.684 12.094 1.00 0.00 H new ATOM 0 HH11 ARG A 30 38.023 4.876 12.281 1.00 0.00 H new ATOM 0 HH12 ARG A 30 38.469 6.518 11.804 1.00 0.00 H new ATOM 0 HH21 ARG A 30 35.213 7.674 11.591 1.00 0.00 H new ATOM 0 HH22 ARG A 30 36.933 8.045 11.427 1.00 0.00 H new ATOM 517 N LYS A 31 37.973 1.959 7.983 1.00 0.00 N ATOM 518 CA LYS A 31 38.737 2.131 6.718 1.00 0.00 C ATOM 519 C LYS A 31 38.543 0.994 5.662 1.00 0.00 C ATOM 520 O LYS A 31 38.490 1.326 4.477 1.00 0.00 O ATOM 521 CB LYS A 31 40.232 2.415 7.047 1.00 0.00 C ATOM 522 CG LYS A 31 40.605 3.898 7.311 1.00 0.00 C ATOM 523 CD LYS A 31 39.844 4.572 8.474 1.00 0.00 C ATOM 524 CE LYS A 31 40.367 5.960 8.883 1.00 0.00 C ATOM 525 NZ LYS A 31 40.005 6.996 7.893 1.00 0.00 N ATOM 0 H LYS A 31 38.556 1.732 8.788 1.00 0.00 H new ATOM 0 HA LYS A 31 38.313 2.998 6.211 1.00 0.00 H new ATOM 0 HB2 LYS A 31 40.507 1.831 7.925 1.00 0.00 H new ATOM 0 HB3 LYS A 31 40.840 2.051 6.219 1.00 0.00 H new ATOM 0 HG2 LYS A 31 41.674 3.956 7.516 1.00 0.00 H new ATOM 0 HG3 LYS A 31 40.424 4.469 6.400 1.00 0.00 H new ATOM 0 HD2 LYS A 31 38.795 4.665 8.195 1.00 0.00 H new ATOM 0 HD3 LYS A 31 39.886 3.915 9.343 1.00 0.00 H new ATOM 0 HE2 LYS A 31 39.959 6.230 9.857 1.00 0.00 H new ATOM 0 HE3 LYS A 31 41.451 5.923 8.991 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 40.375 7.917 8.203 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 40.415 6.752 6.969 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 38.970 7.049 7.809 1.00 0.00 H new ATOM 538 N ILE A 32 38.397 -0.305 6.015 1.00 0.00 N ATOM 539 CA ILE A 32 38.094 -1.369 4.997 1.00 0.00 C ATOM 540 C ILE A 32 36.614 -1.239 4.487 1.00 0.00 C ATOM 541 O ILE A 32 36.416 -1.077 3.282 1.00 0.00 O ATOM 542 CB ILE A 32 38.520 -2.812 5.455 1.00 0.00 C ATOM 543 CG1 ILE A 32 40.032 -2.941 5.824 1.00 0.00 C ATOM 544 CG2 ILE A 32 38.210 -3.883 4.371 1.00 0.00 C ATOM 545 CD1 ILE A 32 40.383 -4.145 6.719 1.00 0.00 C ATOM 0 H ILE A 32 38.480 -0.648 6.972 1.00 0.00 H new ATOM 0 HA ILE A 32 38.729 -1.197 4.128 1.00 0.00 H new ATOM 0 HB ILE A 32 37.926 -2.986 6.352 1.00 0.00 H new ATOM 0 HG12 ILE A 32 40.611 -3.011 4.903 1.00 0.00 H new ATOM 0 HG13 ILE A 32 40.346 -2.028 6.329 1.00 0.00 H new ATOM 0 HG21 ILE A 32 38.521 -4.864 4.730 1.00 0.00 H new ATOM 0 HG22 ILE A 32 37.140 -3.894 4.166 1.00 0.00 H new ATOM 0 HG23 ILE A 32 38.752 -3.643 3.457 1.00 0.00 H new ATOM 0 HD11 ILE A 32 41.454 -4.149 6.920 1.00 0.00 H new ATOM 0 HD12 ILE A 32 39.838 -4.070 7.660 1.00 0.00 H new ATOM 0 HD13 ILE A 32 40.106 -5.069 6.211 1.00 0.00 H new ATOM 557 N ALA A 33 35.588 -1.256 5.362 1.00 0.00 N ATOM 558 CA ALA A 33 34.171 -1.058 4.947 1.00 0.00 C ATOM 559 C ALA A 33 33.754 0.289 4.268 1.00 0.00 C ATOM 560 O ALA A 33 32.778 0.298 3.513 1.00 0.00 O ATOM 561 CB ALA A 33 33.308 -1.387 6.178 1.00 0.00 C ATOM 0 H ALA A 33 35.708 -1.405 6.364 1.00 0.00 H new ATOM 0 HA ALA A 33 34.009 -1.730 4.104 1.00 0.00 H new ATOM 0 HB1 ALA A 33 32.255 -1.258 5.929 1.00 0.00 H new ATOM 0 HB2 ALA A 33 33.485 -2.419 6.481 1.00 0.00 H new ATOM 0 HB3 ALA A 33 33.572 -0.718 6.997 1.00 0.00 H new ATOM 567 N ASN A 34 34.489 1.396 4.475 1.00 0.00 N ATOM 568 CA ASN A 34 34.426 2.584 3.579 1.00 0.00 C ATOM 569 C ASN A 34 35.157 2.430 2.208 1.00 0.00 C ATOM 570 O ASN A 34 34.578 2.798 1.182 1.00 0.00 O ATOM 571 CB ASN A 34 34.905 3.811 4.404 1.00 0.00 C ATOM 572 CG ASN A 34 34.904 5.214 3.778 1.00 0.00 C ATOM 573 OD1 ASN A 34 35.785 6.024 4.049 1.00 0.00 O ATOM 574 ND2 ASN A 34 33.920 5.614 3.008 1.00 0.00 N ATOM 0 H ASN A 34 35.138 1.501 5.255 1.00 0.00 H new ATOM 0 HA ASN A 34 33.393 2.719 3.258 1.00 0.00 H new ATOM 0 HB2 ASN A 34 34.288 3.857 5.301 1.00 0.00 H new ATOM 0 HB3 ASN A 34 35.925 3.603 4.729 1.00 0.00 H new ATOM 0 HD21 ASN A 34 33.905 6.571 2.656 1.00 0.00 H new ATOM 0 HD22 ASN A 34 33.170 4.968 2.762 1.00 0.00 H new ATOM 581 N LEU A 35 36.405 1.936 2.179 1.00 0.00 N ATOM 582 CA LEU A 35 37.203 1.859 0.916 1.00 0.00 C ATOM 583 C LEU A 35 36.804 0.727 -0.088 1.00 0.00 C ATOM 584 O LEU A 35 37.012 0.900 -1.292 1.00 0.00 O ATOM 585 CB LEU A 35 38.721 1.840 1.248 1.00 0.00 C ATOM 586 CG LEU A 35 39.320 3.093 1.950 1.00 0.00 C ATOM 587 CD1 LEU A 35 40.803 2.848 2.275 1.00 0.00 C ATOM 588 CD2 LEU A 35 39.169 4.387 1.130 1.00 0.00 C ATOM 0 H LEU A 35 36.892 1.583 3.002 1.00 0.00 H new ATOM 0 HA LEU A 35 36.953 2.765 0.364 1.00 0.00 H new ATOM 0 HB2 LEU A 35 38.916 0.975 1.882 1.00 0.00 H new ATOM 0 HB3 LEU A 35 39.267 1.683 0.318 1.00 0.00 H new ATOM 0 HG LEU A 35 38.749 3.240 2.867 1.00 0.00 H new ATOM 0 HD11 LEU A 35 41.218 3.728 2.766 1.00 0.00 H new ATOM 0 HD12 LEU A 35 40.893 1.987 2.937 1.00 0.00 H new ATOM 0 HD13 LEU A 35 41.351 2.655 1.352 1.00 0.00 H new ATOM 0 HD21 LEU A 35 39.608 5.219 1.680 1.00 0.00 H new ATOM 0 HD22 LEU A 35 39.680 4.274 0.174 1.00 0.00 H new ATOM 0 HD23 LEU A 35 38.112 4.586 0.955 1.00 0.00 H new ATOM 600 N LEU A 36 36.199 -0.383 0.373 1.00 0.00 N ATOM 601 CA LEU A 36 35.379 -1.268 -0.505 1.00 0.00 C ATOM 602 C LEU A 36 33.863 -0.908 -0.378 1.00 0.00 C ATOM 603 O LEU A 36 33.389 -0.443 0.664 1.00 0.00 O ATOM 604 CB LEU A 36 35.721 -2.781 -0.372 1.00 0.00 C ATOM 605 CG LEU A 36 35.788 -3.437 1.023 1.00 0.00 C ATOM 606 CD1 LEU A 36 34.448 -3.438 1.776 1.00 0.00 C ATOM 607 CD2 LEU A 36 36.318 -4.877 0.923 1.00 0.00 C ATOM 0 H LEU A 36 36.256 -0.696 1.342 1.00 0.00 H new ATOM 0 HA LEU A 36 35.654 -1.065 -1.540 1.00 0.00 H new ATOM 0 HB2 LEU A 36 34.983 -3.333 -0.954 1.00 0.00 H new ATOM 0 HB3 LEU A 36 36.687 -2.938 -0.851 1.00 0.00 H new ATOM 0 HG LEU A 36 36.476 -2.820 1.601 1.00 0.00 H new ATOM 0 HD11 LEU A 36 34.577 -3.916 2.747 1.00 0.00 H new ATOM 0 HD12 LEU A 36 34.110 -2.412 1.919 1.00 0.00 H new ATOM 0 HD13 LEU A 36 33.706 -3.987 1.197 1.00 0.00 H new ATOM 0 HD21 LEU A 36 36.357 -5.320 1.918 1.00 0.00 H new ATOM 0 HD22 LEU A 36 35.655 -5.466 0.289 1.00 0.00 H new ATOM 0 HD23 LEU A 36 37.319 -4.867 0.491 1.00 0.00 H new ATOM 619 N LYS A 37 33.098 -1.118 -1.459 1.00 0.00 N ATOM 620 CA LYS A 37 31.656 -0.754 -1.511 1.00 0.00 C ATOM 621 C LYS A 37 30.788 -2.065 -1.445 1.00 0.00 C ATOM 622 O LYS A 37 30.555 -2.656 -2.506 1.00 0.00 O ATOM 623 CB LYS A 37 31.429 0.136 -2.770 1.00 0.00 C ATOM 624 CG LYS A 37 32.205 1.481 -2.779 1.00 0.00 C ATOM 625 CD LYS A 37 31.683 2.539 -3.770 1.00 0.00 C ATOM 626 CE LYS A 37 31.891 2.178 -5.250 1.00 0.00 C ATOM 627 NZ LYS A 37 31.521 3.326 -6.100 1.00 0.00 N ATOM 0 H LYS A 37 33.448 -1.540 -2.319 1.00 0.00 H new ATOM 0 HA LYS A 37 31.337 -0.160 -0.654 1.00 0.00 H new ATOM 0 HB2 LYS A 37 31.713 -0.435 -3.654 1.00 0.00 H new ATOM 0 HB3 LYS A 37 30.364 0.349 -2.857 1.00 0.00 H new ATOM 0 HG2 LYS A 37 32.177 1.904 -1.775 1.00 0.00 H new ATOM 0 HG3 LYS A 37 33.250 1.276 -3.010 1.00 0.00 H new ATOM 0 HD2 LYS A 37 30.619 2.693 -3.592 1.00 0.00 H new ATOM 0 HD3 LYS A 37 32.180 3.487 -3.566 1.00 0.00 H new ATOM 0 HE2 LYS A 37 32.932 1.905 -5.425 1.00 0.00 H new ATOM 0 HE3 LYS A 37 31.285 1.310 -5.511 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 31.301 2.991 -7.060 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 30.686 3.800 -5.699 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 32.314 3.998 -6.141 1.00 0.00 H new ATOM 640 N PRO A 38 30.315 -2.587 -0.266 1.00 0.00 N ATOM 641 CA PRO A 38 29.667 -3.930 -0.185 1.00 0.00 C ATOM 642 C PRO A 38 28.236 -4.058 -0.798 1.00 0.00 C ATOM 643 O PRO A 38 27.489 -3.086 -0.929 1.00 0.00 O ATOM 644 CB PRO A 38 29.716 -4.222 1.329 1.00 0.00 C ATOM 645 CG PRO A 38 29.735 -2.855 2.008 1.00 0.00 C ATOM 646 CD PRO A 38 30.592 -2.010 1.068 1.00 0.00 C ATOM 0 HA PRO A 38 30.189 -4.658 -0.805 1.00 0.00 H new ATOM 0 HB2 PRO A 38 28.851 -4.805 1.644 1.00 0.00 H new ATOM 0 HB3 PRO A 38 30.602 -4.801 1.588 1.00 0.00 H new ATOM 0 HG2 PRO A 38 28.731 -2.445 2.115 1.00 0.00 H new ATOM 0 HG3 PRO A 38 30.166 -2.908 3.008 1.00 0.00 H new ATOM 0 HD2 PRO A 38 30.318 -0.956 1.114 1.00 0.00 H new ATOM 0 HD3 PRO A 38 31.650 -2.076 1.322 1.00 0.00 H new ATOM 654 N ASP A 39 27.870 -5.290 -1.179 1.00 0.00 N ATOM 655 CA ASP A 39 26.629 -5.567 -1.963 1.00 0.00 C ATOM 656 C ASP A 39 25.478 -6.105 -1.060 1.00 0.00 C ATOM 657 O ASP A 39 25.692 -7.000 -0.240 1.00 0.00 O ATOM 658 CB ASP A 39 26.951 -6.602 -3.071 1.00 0.00 C ATOM 659 CG ASP A 39 27.965 -6.188 -4.143 1.00 0.00 C ATOM 660 OD1 ASP A 39 28.128 -5.039 -4.540 1.00 0.00 O ATOM 661 OD2 ASP A 39 28.659 -7.258 -4.629 1.00 0.00 O ATOM 0 H ASP A 39 28.412 -6.126 -0.961 1.00 0.00 H new ATOM 0 HA ASP A 39 26.289 -4.630 -2.404 1.00 0.00 H new ATOM 0 HB2 ASP A 39 27.319 -7.508 -2.590 1.00 0.00 H new ATOM 0 HB3 ASP A 39 26.018 -6.863 -3.571 1.00 0.00 H new ATOM 667 N LYS A 40 24.244 -5.611 -1.241 1.00 0.00 N ATOM 668 CA LYS A 40 23.057 -6.142 -0.518 1.00 0.00 C ATOM 669 C LYS A 40 22.314 -7.187 -1.400 1.00 0.00 C ATOM 670 O LYS A 40 21.698 -6.836 -2.406 1.00 0.00 O ATOM 671 CB LYS A 40 22.127 -4.984 -0.068 1.00 0.00 C ATOM 672 CG LYS A 40 22.583 -4.281 1.228 1.00 0.00 C ATOM 673 CD LYS A 40 21.602 -3.172 1.658 1.00 0.00 C ATOM 674 CE LYS A 40 22.049 -2.355 2.880 1.00 0.00 C ATOM 675 NZ LYS A 40 22.040 -3.139 4.128 1.00 0.00 N ATOM 0 H LYS A 40 24.032 -4.845 -1.880 1.00 0.00 H new ATOM 0 HA LYS A 40 23.388 -6.654 0.386 1.00 0.00 H new ATOM 0 HB2 LYS A 40 22.069 -4.246 -0.868 1.00 0.00 H new ATOM 0 HB3 LYS A 40 21.120 -5.376 0.078 1.00 0.00 H new ATOM 0 HG2 LYS A 40 22.672 -5.016 2.028 1.00 0.00 H new ATOM 0 HG3 LYS A 40 23.573 -3.851 1.078 1.00 0.00 H new ATOM 0 HD2 LYS A 40 21.453 -2.492 0.819 1.00 0.00 H new ATOM 0 HD3 LYS A 40 20.635 -3.626 1.876 1.00 0.00 H new ATOM 0 HE2 LYS A 40 23.054 -1.970 2.706 1.00 0.00 H new ATOM 0 HE3 LYS A 40 21.393 -1.492 2.994 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 22.382 -2.548 4.912 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 21.071 -3.457 4.331 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 22.661 -3.967 4.022 1.00 0.00 H new ATOM 688 N GLU A 41 22.335 -8.467 -1.000 1.00 0.00 N ATOM 689 CA GLU A 41 21.387 -9.484 -1.531 1.00 0.00 C ATOM 690 C GLU A 41 20.168 -9.587 -0.566 1.00 0.00 C ATOM 691 O GLU A 41 20.284 -10.092 0.555 1.00 0.00 O ATOM 692 CB GLU A 41 22.124 -10.826 -1.754 1.00 0.00 C ATOM 693 CG GLU A 41 21.284 -11.895 -2.500 1.00 0.00 C ATOM 694 CD GLU A 41 21.996 -13.241 -2.620 1.00 0.00 C ATOM 695 OE1 GLU A 41 22.332 -13.925 -1.659 1.00 0.00 O ATOM 696 OE2 GLU A 41 22.215 -13.602 -3.915 1.00 0.00 O ATOM 0 H GLU A 41 22.994 -8.832 -0.312 1.00 0.00 H new ATOM 0 HA GLU A 41 20.999 -9.191 -2.506 1.00 0.00 H new ATOM 0 HB2 GLU A 41 23.036 -10.637 -2.320 1.00 0.00 H new ATOM 0 HB3 GLU A 41 22.426 -11.227 -0.787 1.00 0.00 H new ATOM 0 HG2 GLU A 41 20.339 -12.036 -1.976 1.00 0.00 H new ATOM 0 HG3 GLU A 41 21.043 -11.528 -3.498 1.00 0.00 H new ATOM 704 N ILE A 42 19.005 -9.078 -1.001 1.00 0.00 N ATOM 705 CA ILE A 42 17.780 -9.028 -0.151 1.00 0.00 C ATOM 706 C ILE A 42 16.827 -10.174 -0.615 1.00 0.00 C ATOM 707 O ILE A 42 16.317 -10.163 -1.742 1.00 0.00 O ATOM 708 CB ILE A 42 17.118 -7.604 -0.148 1.00 0.00 C ATOM 709 CG1 ILE A 42 18.085 -6.484 0.342 1.00 0.00 C ATOM 710 CG2 ILE A 42 15.822 -7.592 0.710 1.00 0.00 C ATOM 711 CD1 ILE A 42 17.582 -5.035 0.220 1.00 0.00 C ATOM 0 H ILE A 42 18.876 -8.692 -1.936 1.00 0.00 H new ATOM 0 HA ILE A 42 18.035 -9.196 0.895 1.00 0.00 H new ATOM 0 HB ILE A 42 16.868 -7.387 -1.187 1.00 0.00 H new ATOM 0 HG12 ILE A 42 18.324 -6.674 1.388 1.00 0.00 H new ATOM 0 HG13 ILE A 42 19.016 -6.569 -0.218 1.00 0.00 H new ATOM 0 HG21 ILE A 42 15.385 -6.594 0.694 1.00 0.00 H new ATOM 0 HG22 ILE A 42 15.108 -8.307 0.301 1.00 0.00 H new ATOM 0 HG23 ILE A 42 16.063 -7.867 1.737 1.00 0.00 H new ATOM 0 HD11 ILE A 42 18.345 -4.352 0.594 1.00 0.00 H new ATOM 0 HD12 ILE A 42 17.373 -4.809 -0.826 1.00 0.00 H new ATOM 0 HD13 ILE A 42 16.670 -4.916 0.806 1.00 0.00 H new ATOM 723 N VAL A 43 16.555 -11.130 0.288 1.00 0.00 N ATOM 724 CA VAL A 43 15.558 -12.216 0.048 1.00 0.00 C ATOM 725 C VAL A 43 14.238 -11.812 0.787 1.00 0.00 C ATOM 726 O VAL A 43 14.079 -12.093 1.978 1.00 0.00 O ATOM 727 CB VAL A 43 16.136 -13.610 0.478 1.00 0.00 C ATOM 728 CG1 VAL A 43 15.140 -14.778 0.283 1.00 0.00 C ATOM 729 CG2 VAL A 43 17.437 -14.005 -0.259 1.00 0.00 C ATOM 0 H VAL A 43 17.009 -11.183 1.200 1.00 0.00 H new ATOM 0 HA VAL A 43 15.332 -12.329 -1.012 1.00 0.00 H new ATOM 0 HB VAL A 43 16.343 -13.463 1.538 1.00 0.00 H new ATOM 0 HG11 VAL A 43 15.606 -15.711 0.601 1.00 0.00 H new ATOM 0 HG12 VAL A 43 14.246 -14.597 0.880 1.00 0.00 H new ATOM 0 HG13 VAL A 43 14.865 -14.850 -0.769 1.00 0.00 H new ATOM 0 HG21 VAL A 43 17.773 -14.980 0.093 1.00 0.00 H new ATOM 0 HG22 VAL A 43 17.248 -14.052 -1.331 1.00 0.00 H new ATOM 0 HG23 VAL A 43 18.208 -13.261 -0.059 1.00 0.00 H new ATOM 739 N GLN A 44 13.301 -11.154 0.076 1.00 0.00 N ATOM 740 CA GLN A 44 11.971 -10.777 0.632 1.00 0.00 C ATOM 741 C GLN A 44 10.891 -11.851 0.269 1.00 0.00 C ATOM 742 O GLN A 44 10.277 -11.810 -0.803 1.00 0.00 O ATOM 743 CB GLN A 44 11.631 -9.345 0.130 1.00 0.00 C ATOM 744 CG GLN A 44 10.304 -8.750 0.680 1.00 0.00 C ATOM 745 CD GLN A 44 9.820 -7.475 -0.017 1.00 0.00 C ATOM 746 OE1 GLN A 44 9.949 -6.363 0.482 1.00 0.00 O ATOM 747 NE2 GLN A 44 9.226 -7.576 -1.181 1.00 0.00 N ATOM 0 H GLN A 44 13.436 -10.867 -0.894 1.00 0.00 H new ATOM 0 HA GLN A 44 11.990 -10.756 1.722 1.00 0.00 H new ATOM 0 HB2 GLN A 44 12.450 -8.678 0.401 1.00 0.00 H new ATOM 0 HB3 GLN A 44 11.580 -9.361 -0.959 1.00 0.00 H new ATOM 0 HG2 GLN A 44 9.524 -9.507 0.599 1.00 0.00 H new ATOM 0 HG3 GLN A 44 10.433 -8.538 1.741 1.00 0.00 H new ATOM 0 HE21 GLN A 44 9.108 -8.491 -1.615 1.00 0.00 H new ATOM 0 HE22 GLN A 44 8.882 -6.739 -1.652 1.00 0.00 H new ATOM 756 N ASP A 45 10.614 -12.781 1.195 1.00 0.00 N ATOM 757 CA ASP A 45 9.442 -13.695 1.103 1.00 0.00 C ATOM 758 C ASP A 45 8.202 -13.042 1.807 1.00 0.00 C ATOM 759 O ASP A 45 7.881 -13.343 2.963 1.00 0.00 O ATOM 760 CB ASP A 45 9.914 -15.058 1.680 1.00 0.00 C ATOM 761 CG ASP A 45 8.905 -16.197 1.557 1.00 0.00 C ATOM 762 OD1 ASP A 45 8.311 -16.691 2.509 1.00 0.00 O ATOM 763 OD2 ASP A 45 8.740 -16.605 0.269 1.00 0.00 O ATOM 0 H ASP A 45 11.185 -12.929 2.027 1.00 0.00 H new ATOM 0 HA ASP A 45 9.095 -13.871 0.085 1.00 0.00 H new ATOM 0 HB2 ASP A 45 10.833 -15.351 1.173 1.00 0.00 H new ATOM 0 HB3 ASP A 45 10.160 -14.923 2.733 1.00 0.00 H new ATOM 769 N GLY A 46 7.535 -12.103 1.104 1.00 0.00 N ATOM 770 CA GLY A 46 6.416 -11.299 1.673 1.00 0.00 C ATOM 771 C GLY A 46 6.821 -10.334 2.812 1.00 0.00 C ATOM 772 O GLY A 46 7.421 -9.286 2.564 1.00 0.00 O ATOM 0 H GLY A 46 7.749 -11.877 0.133 1.00 0.00 H new ATOM 0 HA2 GLY A 46 5.960 -10.719 0.871 1.00 0.00 H new ATOM 0 HA3 GLY A 46 5.652 -11.980 2.048 1.00 0.00 H new ATOM 776 N ASP A 47 6.521 -10.727 4.058 1.00 0.00 N ATOM 777 CA ASP A 47 7.107 -10.085 5.273 1.00 0.00 C ATOM 778 C ASP A 47 8.496 -10.635 5.756 1.00 0.00 C ATOM 779 O ASP A 47 9.195 -9.902 6.452 1.00 0.00 O ATOM 780 CB ASP A 47 6.045 -10.042 6.407 1.00 0.00 C ATOM 781 CG ASP A 47 5.641 -11.377 7.039 1.00 0.00 C ATOM 782 OD1 ASP A 47 6.180 -11.853 8.032 1.00 0.00 O ATOM 783 OD2 ASP A 47 4.620 -11.980 6.370 1.00 0.00 O ATOM 0 H ASP A 47 5.875 -11.488 4.265 1.00 0.00 H new ATOM 0 HA ASP A 47 7.365 -9.070 4.971 1.00 0.00 H new ATOM 0 HB2 ASP A 47 6.422 -9.394 7.198 1.00 0.00 H new ATOM 0 HB3 ASP A 47 5.146 -9.570 6.010 1.00 0.00 H new ATOM 789 N HIS A 48 8.913 -11.878 5.439 1.00 0.00 N ATOM 790 CA HIS A 48 10.243 -12.412 5.853 1.00 0.00 C ATOM 791 C HIS A 48 11.379 -11.870 4.931 1.00 0.00 C ATOM 792 O HIS A 48 11.488 -12.253 3.765 1.00 0.00 O ATOM 793 CB HIS A 48 10.170 -13.961 5.909 1.00 0.00 C ATOM 794 CG HIS A 48 11.431 -14.709 6.373 1.00 0.00 C ATOM 795 ND1 HIS A 48 11.704 -16.004 5.959 1.00 0.00 N ATOM 796 CD2 HIS A 48 12.445 -14.249 7.246 1.00 0.00 C ATOM 797 CE1 HIS A 48 12.885 -16.210 6.625 1.00 0.00 C ATOM 798 NE2 HIS A 48 13.408 -15.225 7.418 1.00 0.00 N ATOM 0 H HIS A 48 8.353 -12.537 4.898 1.00 0.00 H new ATOM 0 HA HIS A 48 10.496 -12.060 6.853 1.00 0.00 H new ATOM 0 HB2 HIS A 48 9.351 -14.237 6.573 1.00 0.00 H new ATOM 0 HB3 HIS A 48 9.910 -14.323 4.914 1.00 0.00 H new ATOM 0 HD2 HIS A 48 12.464 -13.275 7.711 1.00 0.00 H new ATOM 0 HE1 HIS A 48 13.404 -17.152 6.523 1.00 0.00 H new ATOM 0 HE2 HIS A 48 14.262 -15.214 7.975 1.00 0.00 H new ATOM 806 N MET A 49 12.216 -10.978 5.473 1.00 0.00 N ATOM 807 CA MET A 49 13.275 -10.282 4.714 1.00 0.00 C ATOM 808 C MET A 49 14.671 -10.654 5.289 1.00 0.00 C ATOM 809 O MET A 49 14.962 -10.414 6.468 1.00 0.00 O ATOM 810 CB MET A 49 12.964 -8.769 4.780 1.00 0.00 C ATOM 811 CG MET A 49 13.730 -7.938 3.735 1.00 0.00 C ATOM 812 SD MET A 49 13.392 -6.183 3.959 1.00 0.00 S ATOM 813 CE MET A 49 11.736 -6.057 3.263 1.00 0.00 C ATOM 0 H MET A 49 12.182 -10.713 6.457 1.00 0.00 H new ATOM 0 HA MET A 49 13.298 -10.585 3.667 1.00 0.00 H new ATOM 0 HB2 MET A 49 11.894 -8.620 4.638 1.00 0.00 H new ATOM 0 HB3 MET A 49 13.208 -8.399 5.776 1.00 0.00 H new ATOM 0 HG2 MET A 49 14.800 -8.123 3.827 1.00 0.00 H new ATOM 0 HG3 MET A 49 13.438 -8.246 2.731 1.00 0.00 H new ATOM 0 HE1 MET A 49 11.509 -5.012 3.051 1.00 0.00 H new ATOM 0 HE2 MET A 49 11.685 -6.634 2.340 1.00 0.00 H new ATOM 0 HE3 MET A 49 11.011 -6.448 3.976 1.00 0.00 H new ATOM 823 N ILE A 50 15.537 -11.228 4.438 1.00 0.00 N ATOM 824 CA ILE A 50 16.956 -11.507 4.806 1.00 0.00 C ATOM 825 C ILE A 50 17.840 -10.479 4.030 1.00 0.00 C ATOM 826 O ILE A 50 18.099 -10.664 2.836 1.00 0.00 O ATOM 827 CB ILE A 50 17.375 -13.005 4.578 1.00 0.00 C ATOM 828 CG1 ILE A 50 16.420 -14.055 5.228 1.00 0.00 C ATOM 829 CG2 ILE A 50 18.824 -13.245 5.082 1.00 0.00 C ATOM 830 CD1 ILE A 50 16.563 -15.488 4.684 1.00 0.00 C ATOM 0 H ILE A 50 15.291 -11.512 3.490 1.00 0.00 H new ATOM 0 HA ILE A 50 17.099 -11.377 5.879 1.00 0.00 H new ATOM 0 HB ILE A 50 17.308 -13.158 3.501 1.00 0.00 H new ATOM 0 HG12 ILE A 50 16.599 -14.071 6.303 1.00 0.00 H new ATOM 0 HG13 ILE A 50 15.391 -13.728 5.081 1.00 0.00 H new ATOM 0 HG21 ILE A 50 19.099 -14.287 4.917 1.00 0.00 H new ATOM 0 HG22 ILE A 50 19.511 -12.598 4.537 1.00 0.00 H new ATOM 0 HG23 ILE A 50 18.881 -13.019 6.147 1.00 0.00 H new ATOM 0 HD11 ILE A 50 15.859 -16.144 5.196 1.00 0.00 H new ATOM 0 HD12 ILE A 50 16.352 -15.494 3.615 1.00 0.00 H new ATOM 0 HD13 ILE A 50 17.579 -15.842 4.855 1.00 0.00 H new ATOM 842 N ILE A 51 18.316 -9.415 4.707 1.00 0.00 N ATOM 843 CA ILE A 51 19.209 -8.388 4.081 1.00 0.00 C ATOM 844 C ILE A 51 20.693 -8.860 4.257 1.00 0.00 C ATOM 845 O ILE A 51 21.285 -8.683 5.328 1.00 0.00 O ATOM 846 CB ILE A 51 18.934 -6.940 4.641 1.00 0.00 C ATOM 847 CG1 ILE A 51 17.462 -6.455 4.448 1.00 0.00 C ATOM 848 CG2 ILE A 51 19.905 -5.894 4.026 1.00 0.00 C ATOM 849 CD1 ILE A 51 17.080 -5.129 5.134 1.00 0.00 C ATOM 0 H ILE A 51 18.104 -9.234 5.688 1.00 0.00 H new ATOM 0 HA ILE A 51 18.997 -8.306 3.015 1.00 0.00 H new ATOM 0 HB ILE A 51 19.110 -7.020 5.714 1.00 0.00 H new ATOM 0 HG12 ILE A 51 17.274 -6.353 3.379 1.00 0.00 H new ATOM 0 HG13 ILE A 51 16.795 -7.234 4.816 1.00 0.00 H new ATOM 0 HG21 ILE A 51 19.685 -4.908 4.436 1.00 0.00 H new ATOM 0 HG22 ILE A 51 20.933 -6.166 4.267 1.00 0.00 H new ATOM 0 HG23 ILE A 51 19.779 -5.873 2.943 1.00 0.00 H new ATOM 0 HD11 ILE A 51 16.035 -4.900 4.926 1.00 0.00 H new ATOM 0 HD12 ILE A 51 17.224 -5.221 6.210 1.00 0.00 H new ATOM 0 HD13 ILE A 51 17.710 -4.326 4.751 1.00 0.00 H new ATOM 861 N ARG A 52 21.295 -9.438 3.202 1.00 0.00 N ATOM 862 CA ARG A 52 22.697 -9.938 3.241 1.00 0.00 C ATOM 863 C ARG A 52 23.673 -8.849 2.704 1.00 0.00 C ATOM 864 O ARG A 52 23.843 -8.709 1.490 1.00 0.00 O ATOM 865 CB ARG A 52 22.829 -11.263 2.435 1.00 0.00 C ATOM 866 CG ARG A 52 21.917 -12.435 2.863 1.00 0.00 C ATOM 867 CD ARG A 52 22.153 -13.708 2.036 1.00 0.00 C ATOM 868 NE ARG A 52 21.188 -14.751 2.475 1.00 0.00 N ATOM 869 CZ ARG A 52 20.454 -15.518 1.671 1.00 0.00 C ATOM 870 NH1 ARG A 52 20.542 -15.526 0.358 1.00 0.00 N ATOM 871 NH2 ARG A 52 19.587 -16.321 2.224 1.00 0.00 N ATOM 0 H ARG A 52 20.835 -9.575 2.302 1.00 0.00 H new ATOM 0 HA ARG A 52 22.965 -10.152 4.276 1.00 0.00 H new ATOM 0 HB2 ARG A 52 22.630 -11.043 1.386 1.00 0.00 H new ATOM 0 HB3 ARG A 52 23.864 -11.598 2.499 1.00 0.00 H new ATOM 0 HG2 ARG A 52 22.087 -12.655 3.917 1.00 0.00 H new ATOM 0 HG3 ARG A 52 20.874 -12.132 2.765 1.00 0.00 H new ATOM 0 HD2 ARG A 52 22.024 -13.498 0.974 1.00 0.00 H new ATOM 0 HD3 ARG A 52 23.176 -14.060 2.169 1.00 0.00 H new ATOM 0 HE ARG A 52 21.079 -14.891 3.479 1.00 0.00 H new ATOM 0 HH11 ARG A 52 21.209 -14.914 -0.112 1.00 0.00 H new ATOM 0 HH12 ARG A 52 19.943 -16.144 -0.190 1.00 0.00 H new ATOM 0 HH21 ARG A 52 19.490 -16.346 3.239 1.00 0.00 H new ATOM 0 HH22 ARG A 52 19.006 -16.924 1.641 1.00 0.00 H new ATOM 885 N THR A 53 24.321 -8.094 3.607 1.00 0.00 N ATOM 886 CA THR A 53 25.328 -7.055 3.227 1.00 0.00 C ATOM 887 C THR A 53 26.732 -7.734 3.116 1.00 0.00 C ATOM 888 O THR A 53 27.333 -8.147 4.115 1.00 0.00 O ATOM 889 CB THR A 53 25.332 -5.854 4.220 1.00 0.00 C ATOM 890 OG1 THR A 53 24.016 -5.386 4.496 1.00 0.00 O ATOM 891 CG2 THR A 53 26.110 -4.629 3.714 1.00 0.00 C ATOM 0 H THR A 53 24.173 -8.175 4.613 1.00 0.00 H new ATOM 0 HA THR A 53 25.060 -6.632 2.259 1.00 0.00 H new ATOM 0 HB THR A 53 25.815 -6.262 5.108 1.00 0.00 H new ATOM 0 HG1 THR A 53 24.045 -4.746 5.238 1.00 0.00 H new ATOM 0 HG21 THR A 53 26.066 -3.836 4.461 1.00 0.00 H new ATOM 0 HG22 THR A 53 27.150 -4.905 3.539 1.00 0.00 H new ATOM 0 HG23 THR A 53 25.667 -4.275 2.783 1.00 0.00 H new ATOM 899 N LEU A 54 27.213 -7.879 1.876 1.00 0.00 N ATOM 900 CA LEU A 54 28.287 -8.839 1.522 1.00 0.00 C ATOM 901 C LEU A 54 29.609 -8.082 1.195 1.00 0.00 C ATOM 902 O LEU A 54 29.668 -7.273 0.261 1.00 0.00 O ATOM 903 CB LEU A 54 27.807 -9.655 0.285 1.00 0.00 C ATOM 904 CG LEU A 54 26.588 -10.599 0.494 1.00 0.00 C ATOM 905 CD1 LEU A 54 25.821 -10.801 -0.823 1.00 0.00 C ATOM 906 CD2 LEU A 54 27.006 -11.961 1.065 1.00 0.00 C ATOM 0 H LEU A 54 26.873 -7.337 1.082 1.00 0.00 H new ATOM 0 HA LEU A 54 28.488 -9.506 2.360 1.00 0.00 H new ATOM 0 HB2 LEU A 54 27.559 -8.952 -0.510 1.00 0.00 H new ATOM 0 HB3 LEU A 54 28.644 -10.256 -0.071 1.00 0.00 H new ATOM 0 HG LEU A 54 25.935 -10.116 1.220 1.00 0.00 H new ATOM 0 HD11 LEU A 54 24.973 -11.464 -0.652 1.00 0.00 H new ATOM 0 HD12 LEU A 54 25.461 -9.838 -1.186 1.00 0.00 H new ATOM 0 HD13 LEU A 54 26.484 -11.244 -1.566 1.00 0.00 H new ATOM 0 HD21 LEU A 54 26.124 -12.588 1.195 1.00 0.00 H new ATOM 0 HD22 LEU A 54 27.698 -12.447 0.377 1.00 0.00 H new ATOM 0 HD23 LEU A 54 27.494 -11.817 2.029 1.00 0.00 H new ATOM 918 N SER A 55 30.673 -8.376 1.959 1.00 0.00 N ATOM 919 CA SER A 55 32.021 -7.782 1.741 1.00 0.00 C ATOM 920 C SER A 55 33.056 -8.890 1.361 1.00 0.00 C ATOM 921 O SER A 55 33.225 -9.206 0.181 1.00 0.00 O ATOM 922 CB SER A 55 32.353 -6.902 2.982 1.00 0.00 C ATOM 923 OG SER A 55 33.671 -6.359 2.895 1.00 0.00 O ATOM 0 H SER A 55 30.634 -9.027 2.743 1.00 0.00 H new ATOM 0 HA SER A 55 32.058 -7.115 0.880 1.00 0.00 H new ATOM 0 HB2 SER A 55 31.628 -6.092 3.061 1.00 0.00 H new ATOM 0 HB3 SER A 55 32.263 -7.500 3.889 1.00 0.00 H new ATOM 0 HG SER A 55 34.039 -6.247 3.796 1.00 0.00 H new ATOM 929 N THR A 56 33.772 -9.437 2.353 1.00 0.00 N ATOM 930 CA THR A 56 34.944 -10.361 2.206 1.00 0.00 C ATOM 931 C THR A 56 35.461 -10.638 3.659 1.00 0.00 C ATOM 932 O THR A 56 35.433 -11.782 4.116 1.00 0.00 O ATOM 933 CB THR A 56 36.082 -9.881 1.235 1.00 0.00 C ATOM 934 OG1 THR A 56 35.603 -9.830 -0.103 1.00 0.00 O ATOM 935 CG2 THR A 56 37.325 -10.787 1.172 1.00 0.00 C ATOM 0 H THR A 56 33.553 -9.249 3.331 1.00 0.00 H new ATOM 0 HA THR A 56 34.611 -11.272 1.708 1.00 0.00 H new ATOM 0 HB THR A 56 36.368 -8.913 1.645 1.00 0.00 H new ATOM 0 HG1 THR A 56 34.642 -10.019 -0.114 1.00 0.00 H new ATOM 0 HG21 THR A 56 38.048 -10.365 0.474 1.00 0.00 H new ATOM 0 HG22 THR A 56 37.775 -10.856 2.162 1.00 0.00 H new ATOM 0 HG23 THR A 56 37.033 -11.782 0.835 1.00 0.00 H new ATOM 943 N PHE A 57 35.917 -9.591 4.382 1.00 0.00 N ATOM 944 CA PHE A 57 36.368 -9.693 5.798 1.00 0.00 C ATOM 945 C PHE A 57 35.233 -9.889 6.869 1.00 0.00 C ATOM 946 O PHE A 57 35.356 -10.766 7.727 1.00 0.00 O ATOM 947 CB PHE A 57 37.351 -8.511 6.075 1.00 0.00 C ATOM 948 CG PHE A 57 36.771 -7.120 6.429 1.00 0.00 C ATOM 949 CD1 PHE A 57 35.938 -6.415 5.548 1.00 0.00 C ATOM 950 CD2 PHE A 57 37.050 -6.572 7.685 1.00 0.00 C ATOM 951 CE1 PHE A 57 35.373 -5.200 5.932 1.00 0.00 C ATOM 952 CE2 PHE A 57 36.500 -5.353 8.059 1.00 0.00 C ATOM 953 CZ PHE A 57 35.661 -4.667 7.184 1.00 0.00 C ATOM 0 H PHE A 57 35.985 -8.646 4.003 1.00 0.00 H new ATOM 0 HA PHE A 57 36.900 -10.636 5.922 1.00 0.00 H new ATOM 0 HB2 PHE A 57 38.006 -8.812 6.893 1.00 0.00 H new ATOM 0 HB3 PHE A 57 37.978 -8.391 5.192 1.00 0.00 H new ATOM 0 HD1 PHE A 57 35.733 -6.816 4.566 1.00 0.00 H new ATOM 0 HD2 PHE A 57 37.698 -7.100 8.369 1.00 0.00 H new ATOM 0 HE1 PHE A 57 34.713 -4.673 5.259 1.00 0.00 H new ATOM 0 HE2 PHE A 57 36.723 -4.936 9.030 1.00 0.00 H new ATOM 0 HZ PHE A 57 35.233 -3.720 7.478 1.00 0.00 H new ATOM 963 N ARG A 58 34.153 -9.079 6.834 1.00 0.00 N ATOM 964 CA ARG A 58 33.018 -9.175 7.792 1.00 0.00 C ATOM 965 C ARG A 58 31.666 -8.979 7.031 1.00 0.00 C ATOM 966 O ARG A 58 31.448 -7.961 6.366 1.00 0.00 O ATOM 967 CB ARG A 58 33.228 -8.130 8.929 1.00 0.00 C ATOM 968 CG ARG A 58 32.264 -8.220 10.143 1.00 0.00 C ATOM 969 CD ARG A 58 32.484 -9.452 11.049 1.00 0.00 C ATOM 970 NE ARG A 58 31.561 -9.451 12.219 1.00 0.00 N ATOM 971 CZ ARG A 58 30.358 -10.026 12.257 1.00 0.00 C ATOM 972 NH1 ARG A 58 29.775 -10.602 11.229 1.00 0.00 N ATOM 973 NH2 ARG A 58 29.712 -10.017 13.390 1.00 0.00 N ATOM 0 H ARG A 58 34.038 -8.338 6.142 1.00 0.00 H new ATOM 0 HA ARG A 58 32.980 -10.162 8.252 1.00 0.00 H new ATOM 0 HB2 ARG A 58 34.249 -8.228 9.297 1.00 0.00 H new ATOM 0 HB3 ARG A 58 33.139 -7.133 8.496 1.00 0.00 H new ATOM 0 HG2 ARG A 58 32.374 -7.318 10.745 1.00 0.00 H new ATOM 0 HG3 ARG A 58 31.238 -8.234 9.775 1.00 0.00 H new ATOM 0 HD2 ARG A 58 32.333 -10.362 10.468 1.00 0.00 H new ATOM 0 HD3 ARG A 58 33.516 -9.465 11.400 1.00 0.00 H new ATOM 0 HE ARG A 58 31.876 -8.970 13.062 1.00 0.00 H new ATOM 0 HH11 ARG A 58 30.246 -10.629 10.325 1.00 0.00 H new ATOM 0 HH12 ARG A 58 28.851 -11.021 11.336 1.00 0.00 H new ATOM 0 HH21 ARG A 58 30.129 -9.579 14.211 1.00 0.00 H new ATOM 0 HH22 ARG A 58 28.790 -10.448 13.455 1.00 0.00 H new ATOM 987 N ASN A 59 30.749 -9.952 7.162 1.00 0.00 N ATOM 988 CA ASN A 59 29.341 -9.818 6.686 1.00 0.00 C ATOM 989 C ASN A 59 28.404 -9.081 7.706 1.00 0.00 C ATOM 990 O ASN A 59 28.792 -8.786 8.840 1.00 0.00 O ATOM 991 CB ASN A 59 28.842 -11.262 6.347 1.00 0.00 C ATOM 992 CG ASN A 59 28.583 -11.490 4.862 1.00 0.00 C ATOM 993 OD1 ASN A 59 27.489 -11.252 4.365 1.00 0.00 O ATOM 994 ND2 ASN A 59 29.564 -11.946 4.119 1.00 0.00 N ATOM 0 H ASN A 59 30.950 -10.853 7.597 1.00 0.00 H new ATOM 0 HA ASN A 59 29.309 -9.181 5.802 1.00 0.00 H new ATOM 0 HB2 ASN A 59 29.583 -11.983 6.692 1.00 0.00 H new ATOM 0 HB3 ASN A 59 27.924 -11.459 6.901 1.00 0.00 H new ATOM 0 HD21 ASN A 59 29.418 -12.104 3.122 1.00 0.00 H new ATOM 0 HD22 ASN A 59 30.473 -12.142 4.539 1.00 0.00 H new ATOM 1001 N TYR A 60 27.149 -8.803 7.300 1.00 0.00 N ATOM 1002 CA TYR A 60 26.096 -8.305 8.244 1.00 0.00 C ATOM 1003 C TYR A 60 24.973 -9.381 8.417 1.00 0.00 C ATOM 1004 O TYR A 60 24.952 -10.067 9.439 1.00 0.00 O ATOM 1005 CB TYR A 60 25.646 -6.871 7.818 1.00 0.00 C ATOM 1006 CG TYR A 60 25.158 -5.890 8.907 1.00 0.00 C ATOM 1007 CD1 TYR A 60 24.246 -6.262 9.905 1.00 0.00 C ATOM 1008 CD2 TYR A 60 25.591 -4.559 8.848 1.00 0.00 C ATOM 1009 CE1 TYR A 60 23.794 -5.324 10.833 1.00 0.00 C ATOM 1010 CE2 TYR A 60 25.132 -3.623 9.770 1.00 0.00 C ATOM 1011 CZ TYR A 60 24.237 -4.006 10.763 1.00 0.00 C ATOM 1012 OH TYR A 60 23.802 -3.084 11.675 1.00 0.00 O ATOM 0 H TYR A 60 26.830 -8.909 6.337 1.00 0.00 H new ATOM 0 HA TYR A 60 26.483 -8.175 9.255 1.00 0.00 H new ATOM 0 HB2 TYR A 60 26.484 -6.402 7.303 1.00 0.00 H new ATOM 0 HB3 TYR A 60 24.844 -6.980 7.088 1.00 0.00 H new ATOM 0 HD1 TYR A 60 23.891 -7.281 9.955 1.00 0.00 H new ATOM 0 HD2 TYR A 60 26.287 -4.256 8.080 1.00 0.00 H new ATOM 0 HE1 TYR A 60 23.100 -5.620 11.606 1.00 0.00 H new ATOM 0 HE2 TYR A 60 25.471 -2.599 9.714 1.00 0.00 H new ATOM 0 HH TYR A 60 24.210 -2.214 11.481 1.00 0.00 H new ATOM 1022 N ILE A 61 24.065 -9.544 7.430 1.00 0.00 N ATOM 1023 CA ILE A 61 23.019 -10.621 7.406 1.00 0.00 C ATOM 1024 C ILE A 61 21.906 -10.374 8.489 1.00 0.00 C ATOM 1025 O ILE A 61 21.956 -10.918 9.595 1.00 0.00 O ATOM 1026 CB ILE A 61 23.588 -12.089 7.272 1.00 0.00 C ATOM 1027 CG1 ILE A 61 24.545 -12.250 6.045 1.00 0.00 C ATOM 1028 CG2 ILE A 61 22.453 -13.148 7.186 1.00 0.00 C ATOM 1029 CD1 ILE A 61 25.294 -13.585 5.907 1.00 0.00 C ATOM 0 H ILE A 61 24.027 -8.932 6.615 1.00 0.00 H new ATOM 0 HA ILE A 61 22.486 -10.537 6.459 1.00 0.00 H new ATOM 0 HB ILE A 61 24.164 -12.264 8.181 1.00 0.00 H new ATOM 0 HG12 ILE A 61 23.960 -12.096 5.138 1.00 0.00 H new ATOM 0 HG13 ILE A 61 25.285 -11.451 6.087 1.00 0.00 H new ATOM 0 HG21 ILE A 61 22.890 -14.143 7.095 1.00 0.00 H new ATOM 0 HG22 ILE A 61 21.842 -13.101 8.088 1.00 0.00 H new ATOM 0 HG23 ILE A 61 21.830 -12.944 6.315 1.00 0.00 H new ATOM 0 HD11 ILE A 61 25.920 -13.560 5.015 1.00 0.00 H new ATOM 0 HD12 ILE A 61 25.919 -13.744 6.786 1.00 0.00 H new ATOM 0 HD13 ILE A 61 24.574 -14.399 5.822 1.00 0.00 H new ATOM 1041 N MET A 62 20.884 -9.567 8.143 1.00 0.00 N ATOM 1042 CA MET A 62 19.736 -9.272 9.044 1.00 0.00 C ATOM 1043 C MET A 62 18.504 -10.121 8.603 1.00 0.00 C ATOM 1044 O MET A 62 17.830 -9.789 7.623 1.00 0.00 O ATOM 1045 CB MET A 62 19.427 -7.750 9.020 1.00 0.00 C ATOM 1046 CG MET A 62 20.448 -6.844 9.735 1.00 0.00 C ATOM 1047 SD MET A 62 19.949 -5.109 9.636 1.00 0.00 S ATOM 1048 CE MET A 62 18.640 -5.039 10.875 1.00 0.00 C ATOM 0 H MET A 62 20.824 -9.100 7.238 1.00 0.00 H new ATOM 0 HA MET A 62 19.983 -9.542 10.071 1.00 0.00 H new ATOM 0 HB2 MET A 62 19.352 -7.431 7.981 1.00 0.00 H new ATOM 0 HB3 MET A 62 18.449 -7.590 9.473 1.00 0.00 H new ATOM 0 HG2 MET A 62 20.536 -7.142 10.780 1.00 0.00 H new ATOM 0 HG3 MET A 62 21.432 -6.970 9.283 1.00 0.00 H new ATOM 0 HE1 MET A 62 18.604 -4.040 11.310 1.00 0.00 H new ATOM 0 HE2 MET A 62 17.683 -5.265 10.406 1.00 0.00 H new ATOM 0 HE3 MET A 62 18.842 -5.769 11.659 1.00 0.00 H new ATOM 1058 N ASP A 63 18.216 -11.210 9.335 1.00 0.00 N ATOM 1059 CA ASP A 63 17.101 -12.143 9.029 1.00 0.00 C ATOM 1060 C ASP A 63 15.841 -11.882 9.915 1.00 0.00 C ATOM 1061 O ASP A 63 15.880 -12.150 11.121 1.00 0.00 O ATOM 1062 CB ASP A 63 17.650 -13.594 9.160 1.00 0.00 C ATOM 1063 CG ASP A 63 18.402 -14.063 10.421 1.00 0.00 C ATOM 1064 OD1 ASP A 63 19.442 -14.711 10.363 1.00 0.00 O ATOM 1065 OD2 ASP A 63 17.793 -13.689 11.587 1.00 0.00 O ATOM 0 H ASP A 63 18.750 -11.476 10.163 1.00 0.00 H new ATOM 0 HA ASP A 63 16.749 -11.980 8.010 1.00 0.00 H new ATOM 0 HB2 ASP A 63 16.802 -14.266 9.030 1.00 0.00 H new ATOM 0 HB3 ASP A 63 18.318 -13.757 8.314 1.00 0.00 H new ATOM 1071 N PHE A 64 14.733 -11.374 9.342 1.00 0.00 N ATOM 1072 CA PHE A 64 13.581 -10.869 10.153 1.00 0.00 C ATOM 1073 C PHE A 64 12.213 -10.899 9.407 1.00 0.00 C ATOM 1074 O PHE A 64 12.130 -10.643 8.205 1.00 0.00 O ATOM 1075 CB PHE A 64 13.882 -9.435 10.695 1.00 0.00 C ATOM 1076 CG PHE A 64 14.163 -8.324 9.660 1.00 0.00 C ATOM 1077 CD1 PHE A 64 15.473 -8.092 9.231 1.00 0.00 C ATOM 1078 CD2 PHE A 64 13.116 -7.603 9.081 1.00 0.00 C ATOM 1079 CE1 PHE A 64 15.730 -7.177 8.215 1.00 0.00 C ATOM 1080 CE2 PHE A 64 13.377 -6.687 8.067 1.00 0.00 C ATOM 1081 CZ PHE A 64 14.681 -6.473 7.635 1.00 0.00 C ATOM 0 H PHE A 64 14.600 -11.298 8.334 1.00 0.00 H new ATOM 0 HA PHE A 64 13.476 -11.563 10.987 1.00 0.00 H new ATOM 0 HB2 PHE A 64 13.034 -9.121 11.303 1.00 0.00 H new ATOM 0 HB3 PHE A 64 14.744 -9.501 11.359 1.00 0.00 H new ATOM 0 HD1 PHE A 64 16.291 -8.626 9.691 1.00 0.00 H new ATOM 0 HD2 PHE A 64 12.103 -7.757 9.421 1.00 0.00 H new ATOM 0 HE1 PHE A 64 16.743 -7.014 7.877 1.00 0.00 H new ATOM 0 HE2 PHE A 64 12.564 -6.140 7.614 1.00 0.00 H new ATOM 0 HZ PHE A 64 14.879 -5.760 6.849 1.00 0.00 H new ATOM 1091 N GLN A 65 11.116 -11.097 10.153 1.00 0.00 N ATOM 1092 CA GLN A 65 9.749 -10.734 9.686 1.00 0.00 C ATOM 1093 C GLN A 65 9.468 -9.215 9.929 1.00 0.00 C ATOM 1094 O GLN A 65 9.576 -8.732 11.062 1.00 0.00 O ATOM 1095 CB GLN A 65 8.710 -11.628 10.414 1.00 0.00 C ATOM 1096 CG GLN A 65 8.567 -13.088 9.899 1.00 0.00 C ATOM 1097 CD GLN A 65 9.611 -14.097 10.404 1.00 0.00 C ATOM 1098 OE1 GLN A 65 10.130 -14.022 11.514 1.00 0.00 O ATOM 1099 NE2 GLN A 65 9.913 -15.114 9.637 1.00 0.00 N ATOM 0 H GLN A 65 11.138 -11.507 11.087 1.00 0.00 H new ATOM 0 HA GLN A 65 9.670 -10.907 8.613 1.00 0.00 H new ATOM 0 HB2 GLN A 65 8.972 -11.664 11.471 1.00 0.00 H new ATOM 0 HB3 GLN A 65 7.736 -11.145 10.344 1.00 0.00 H new ATOM 0 HG2 GLN A 65 7.578 -13.453 10.176 1.00 0.00 H new ATOM 0 HG3 GLN A 65 8.607 -13.071 8.810 1.00 0.00 H new ATOM 0 HE21 GLN A 65 9.494 -15.197 8.711 1.00 0.00 H new ATOM 0 HE22 GLN A 65 10.568 -15.824 9.966 1.00 0.00 H new ATOM 1108 N VAL A 66 9.072 -8.463 8.881 1.00 0.00 N ATOM 1109 CA VAL A 66 8.701 -7.020 9.004 1.00 0.00 C ATOM 1110 C VAL A 66 7.394 -6.868 9.869 1.00 0.00 C ATOM 1111 O VAL A 66 6.366 -7.496 9.591 1.00 0.00 O ATOM 1112 CB VAL A 66 8.552 -6.336 7.600 1.00 0.00 C ATOM 1113 CG1 VAL A 66 8.446 -4.798 7.743 1.00 0.00 C ATOM 1114 CG2 VAL A 66 9.671 -6.583 6.560 1.00 0.00 C ATOM 0 H VAL A 66 8.998 -8.826 7.931 1.00 0.00 H new ATOM 0 HA VAL A 66 9.512 -6.502 9.516 1.00 0.00 H new ATOM 0 HB VAL A 66 7.649 -6.815 7.220 1.00 0.00 H new ATOM 0 HG11 VAL A 66 8.344 -4.347 6.756 1.00 0.00 H new ATOM 0 HG12 VAL A 66 7.575 -4.548 8.348 1.00 0.00 H new ATOM 0 HG13 VAL A 66 9.345 -4.415 8.225 1.00 0.00 H new ATOM 0 HG21 VAL A 66 9.436 -6.050 5.639 1.00 0.00 H new ATOM 0 HG22 VAL A 66 10.621 -6.223 6.955 1.00 0.00 H new ATOM 0 HG23 VAL A 66 9.746 -7.650 6.352 1.00 0.00 H new ATOM 1124 N GLY A 67 7.477 -6.084 10.953 1.00 0.00 N ATOM 1125 CA GLY A 67 6.551 -6.199 12.111 1.00 0.00 C ATOM 1126 C GLY A 67 7.204 -6.624 13.451 1.00 0.00 C ATOM 1127 O GLY A 67 6.858 -6.063 14.492 1.00 0.00 O ATOM 0 H GLY A 67 8.180 -5.353 11.061 1.00 0.00 H new ATOM 0 HA2 GLY A 67 6.058 -5.238 12.256 1.00 0.00 H new ATOM 0 HA3 GLY A 67 5.773 -6.921 11.861 1.00 0.00 H new ATOM 1131 N LYS A 68 8.097 -7.631 13.447 1.00 0.00 N ATOM 1132 CA LYS A 68 8.656 -8.229 14.691 1.00 0.00 C ATOM 1133 C LYS A 68 9.872 -7.444 15.290 1.00 0.00 C ATOM 1134 O LYS A 68 10.728 -6.916 14.571 1.00 0.00 O ATOM 1135 CB LYS A 68 9.072 -9.705 14.424 1.00 0.00 C ATOM 1136 CG LYS A 68 7.946 -10.678 13.996 1.00 0.00 C ATOM 1137 CD LYS A 68 8.370 -12.156 14.121 1.00 0.00 C ATOM 1138 CE LYS A 68 7.289 -13.116 13.598 1.00 0.00 C ATOM 1139 NZ LYS A 68 7.830 -14.485 13.521 1.00 0.00 N ATOM 0 H LYS A 68 8.454 -8.056 12.592 1.00 0.00 H new ATOM 0 HA LYS A 68 7.861 -8.175 15.434 1.00 0.00 H new ATOM 0 HB2 LYS A 68 9.837 -9.708 13.648 1.00 0.00 H new ATOM 0 HB3 LYS A 68 9.535 -10.097 15.330 1.00 0.00 H new ATOM 0 HG2 LYS A 68 7.064 -10.502 14.611 1.00 0.00 H new ATOM 0 HG3 LYS A 68 7.662 -10.470 12.964 1.00 0.00 H new ATOM 0 HD2 LYS A 68 9.294 -12.315 13.566 1.00 0.00 H new ATOM 0 HD3 LYS A 68 8.582 -12.384 15.166 1.00 0.00 H new ATOM 0 HE2 LYS A 68 6.421 -13.095 14.257 1.00 0.00 H new ATOM 0 HE3 LYS A 68 6.949 -12.794 12.614 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 7.095 -15.129 13.167 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 8.645 -14.501 12.875 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 8.133 -14.792 14.467 1.00 0.00 H new ATOM 1152 N GLU A 69 9.973 -7.454 16.633 1.00 0.00 N ATOM 1153 CA GLU A 69 11.192 -7.011 17.363 1.00 0.00 C ATOM 1154 C GLU A 69 12.146 -8.228 17.599 1.00 0.00 C ATOM 1155 O GLU A 69 11.876 -9.079 18.454 1.00 0.00 O ATOM 1156 CB GLU A 69 10.713 -6.318 18.666 1.00 0.00 C ATOM 1157 CG GLU A 69 11.845 -5.658 19.491 1.00 0.00 C ATOM 1158 CD GLU A 69 11.329 -4.751 20.605 1.00 0.00 C ATOM 1159 OE1 GLU A 69 10.966 -3.591 20.430 1.00 0.00 O ATOM 1160 OE2 GLU A 69 11.313 -5.374 21.816 1.00 0.00 O ATOM 0 H GLU A 69 9.220 -7.766 17.246 1.00 0.00 H new ATOM 0 HA GLU A 69 11.782 -6.294 16.793 1.00 0.00 H new ATOM 0 HB2 GLU A 69 9.976 -5.557 18.409 1.00 0.00 H new ATOM 0 HB3 GLU A 69 10.207 -7.054 19.290 1.00 0.00 H new ATOM 0 HG2 GLU A 69 12.470 -6.438 19.927 1.00 0.00 H new ATOM 0 HG3 GLU A 69 12.480 -5.076 18.823 1.00 0.00 H new ATOM 1168 N PHE A 70 13.236 -8.329 16.817 1.00 0.00 N ATOM 1169 CA PHE A 70 14.130 -9.526 16.816 1.00 0.00 C ATOM 1170 C PHE A 70 15.465 -9.316 17.604 1.00 0.00 C ATOM 1171 O PHE A 70 16.057 -8.230 17.602 1.00 0.00 O ATOM 1172 CB PHE A 70 14.311 -10.056 15.360 1.00 0.00 C ATOM 1173 CG PHE A 70 15.320 -9.368 14.415 1.00 0.00 C ATOM 1174 CD1 PHE A 70 15.015 -8.141 13.819 1.00 0.00 C ATOM 1175 CD2 PHE A 70 16.523 -10.005 14.086 1.00 0.00 C ATOM 1176 CE1 PHE A 70 15.905 -7.547 12.927 1.00 0.00 C ATOM 1177 CE2 PHE A 70 17.396 -9.429 13.166 1.00 0.00 C ATOM 1178 CZ PHE A 70 17.089 -8.200 12.591 1.00 0.00 C ATOM 0 H PHE A 70 13.529 -7.597 16.170 1.00 0.00 H new ATOM 0 HA PHE A 70 13.638 -10.315 17.384 1.00 0.00 H new ATOM 0 HB2 PHE A 70 14.593 -11.107 15.429 1.00 0.00 H new ATOM 0 HB3 PHE A 70 13.335 -10.019 14.876 1.00 0.00 H new ATOM 0 HD1 PHE A 70 14.082 -7.650 14.052 1.00 0.00 H new ATOM 0 HD2 PHE A 70 16.775 -10.948 14.548 1.00 0.00 H new ATOM 0 HE1 PHE A 70 15.678 -6.583 12.497 1.00 0.00 H new ATOM 0 HE2 PHE A 70 18.311 -9.937 12.899 1.00 0.00 H new ATOM 0 HZ PHE A 70 17.770 -7.751 11.883 1.00 0.00 H new ATOM 1188 N GLU A 71 15.949 -10.391 18.254 1.00 0.00 N ATOM 1189 CA GLU A 71 17.239 -10.385 18.998 1.00 0.00 C ATOM 1190 C GLU A 71 18.495 -10.517 18.082 1.00 0.00 C ATOM 1191 O GLU A 71 18.646 -11.491 17.337 1.00 0.00 O ATOM 1192 CB GLU A 71 17.227 -11.459 20.128 1.00 0.00 C ATOM 1193 CG GLU A 71 17.050 -12.952 19.733 1.00 0.00 C ATOM 1194 CD GLU A 71 16.945 -13.887 20.939 1.00 0.00 C ATOM 1195 OE1 GLU A 71 15.907 -14.048 21.575 1.00 0.00 O ATOM 1196 OE2 GLU A 71 18.127 -14.512 21.220 1.00 0.00 O ATOM 0 H GLU A 71 15.465 -11.288 18.283 1.00 0.00 H new ATOM 0 HA GLU A 71 17.326 -9.400 19.456 1.00 0.00 H new ATOM 0 HB2 GLU A 71 18.164 -11.371 20.678 1.00 0.00 H new ATOM 0 HB3 GLU A 71 16.425 -11.202 20.820 1.00 0.00 H new ATOM 0 HG2 GLU A 71 16.153 -13.055 19.122 1.00 0.00 H new ATOM 0 HG3 GLU A 71 17.894 -13.260 19.115 1.00 0.00 H new ATOM 1204 N GLU A 72 19.422 -9.555 18.200 1.00 0.00 N ATOM 1205 CA GLU A 72 20.767 -9.645 17.573 1.00 0.00 C ATOM 1206 C GLU A 72 21.854 -9.656 18.692 1.00 0.00 C ATOM 1207 O GLU A 72 22.207 -8.612 19.254 1.00 0.00 O ATOM 1208 CB GLU A 72 20.943 -8.485 16.562 1.00 0.00 C ATOM 1209 CG GLU A 72 20.165 -8.675 15.240 1.00 0.00 C ATOM 1210 CD GLU A 72 20.295 -7.502 14.280 1.00 0.00 C ATOM 1211 OE1 GLU A 72 19.444 -6.627 14.154 1.00 0.00 O ATOM 1212 OE2 GLU A 72 21.459 -7.532 13.574 1.00 0.00 O ATOM 0 H GLU A 72 19.271 -8.695 18.727 1.00 0.00 H new ATOM 0 HA GLU A 72 20.876 -10.573 17.011 1.00 0.00 H new ATOM 0 HB2 GLU A 72 20.619 -7.556 17.031 1.00 0.00 H new ATOM 0 HB3 GLU A 72 22.003 -8.374 16.334 1.00 0.00 H new ATOM 0 HG2 GLU A 72 20.521 -9.579 14.746 1.00 0.00 H new ATOM 0 HG3 GLU A 72 19.111 -8.831 15.468 1.00 0.00 H new ATOM 1220 N ASP A 73 22.380 -10.855 19.010 1.00 0.00 N ATOM 1221 CA ASP A 73 23.515 -11.025 19.956 1.00 0.00 C ATOM 1222 C ASP A 73 24.664 -11.824 19.260 1.00 0.00 C ATOM 1223 O ASP A 73 24.528 -13.028 19.018 1.00 0.00 O ATOM 1224 CB ASP A 73 22.999 -11.704 21.252 1.00 0.00 C ATOM 1225 CG ASP A 73 24.026 -11.722 22.388 1.00 0.00 C ATOM 1226 OD1 ASP A 73 24.791 -10.794 22.636 1.00 0.00 O ATOM 1227 OD2 ASP A 73 23.991 -12.880 23.101 1.00 0.00 O ATOM 0 H ASP A 73 22.036 -11.734 18.623 1.00 0.00 H new ATOM 0 HA ASP A 73 23.932 -10.059 20.241 1.00 0.00 H new ATOM 0 HB2 ASP A 73 22.103 -11.184 21.592 1.00 0.00 H new ATOM 0 HB3 ASP A 73 22.706 -12.728 21.023 1.00 0.00 H new ATOM 1233 N LEU A 74 25.796 -11.162 18.954 1.00 0.00 N ATOM 1234 CA LEU A 74 27.020 -11.845 18.439 1.00 0.00 C ATOM 1235 C LEU A 74 28.287 -11.035 18.891 1.00 0.00 C ATOM 1236 O LEU A 74 28.568 -10.967 20.091 1.00 0.00 O ATOM 1237 CB LEU A 74 26.837 -12.155 16.914 1.00 0.00 C ATOM 1238 CG LEU A 74 27.851 -13.136 16.269 1.00 0.00 C ATOM 1239 CD1 LEU A 74 27.664 -14.579 16.774 1.00 0.00 C ATOM 1240 CD2 LEU A 74 27.702 -13.117 14.738 1.00 0.00 C ATOM 0 H LEU A 74 25.898 -10.152 19.052 1.00 0.00 H new ATOM 0 HA LEU A 74 27.185 -12.832 18.872 1.00 0.00 H new ATOM 0 HB2 LEU A 74 25.835 -12.559 16.768 1.00 0.00 H new ATOM 0 HB3 LEU A 74 26.883 -11.212 16.369 1.00 0.00 H new ATOM 0 HG LEU A 74 28.848 -12.802 16.557 1.00 0.00 H new ATOM 0 HD11 LEU A 74 28.396 -15.230 16.295 1.00 0.00 H new ATOM 0 HD12 LEU A 74 27.805 -14.608 17.854 1.00 0.00 H new ATOM 0 HD13 LEU A 74 26.659 -14.922 16.530 1.00 0.00 H new ATOM 0 HD21 LEU A 74 28.418 -13.809 14.294 1.00 0.00 H new ATOM 0 HD22 LEU A 74 26.690 -13.419 14.467 1.00 0.00 H new ATOM 0 HD23 LEU A 74 27.892 -12.110 14.366 1.00 0.00 H new ATOM 1252 N THR A 75 29.074 -10.427 17.980 1.00 0.00 N ATOM 1253 CA THR A 75 30.209 -9.512 18.323 1.00 0.00 C ATOM 1254 C THR A 75 30.551 -8.697 17.032 1.00 0.00 C ATOM 1255 O THR A 75 31.023 -9.269 16.042 1.00 0.00 O ATOM 1256 CB THR A 75 31.448 -10.275 18.900 1.00 0.00 C ATOM 1257 OG1 THR A 75 31.103 -10.925 20.121 1.00 0.00 O ATOM 1258 CG2 THR A 75 32.658 -9.392 19.246 1.00 0.00 C ATOM 0 H THR A 75 28.948 -10.551 16.975 1.00 0.00 H new ATOM 0 HA THR A 75 29.914 -8.836 19.125 1.00 0.00 H new ATOM 0 HB THR A 75 31.726 -10.958 18.097 1.00 0.00 H new ATOM 0 HG1 THR A 75 30.192 -10.672 20.380 1.00 0.00 H new ATOM 0 HG21 THR A 75 33.463 -10.014 19.638 1.00 0.00 H new ATOM 0 HG22 THR A 75 33.001 -8.877 18.349 1.00 0.00 H new ATOM 0 HG23 THR A 75 32.369 -8.657 19.997 1.00 0.00 H new ATOM 1266 N GLY A 76 30.323 -7.369 17.030 1.00 0.00 N ATOM 1267 CA GLY A 76 30.655 -6.523 15.850 1.00 0.00 C ATOM 1268 C GLY A 76 30.039 -5.112 15.850 1.00 0.00 C ATOM 1269 O GLY A 76 30.715 -4.139 16.189 1.00 0.00 O ATOM 0 H GLY A 76 29.917 -6.859 17.815 1.00 0.00 H new ATOM 0 HA2 GLY A 76 31.739 -6.427 15.788 1.00 0.00 H new ATOM 0 HA3 GLY A 76 30.329 -7.043 14.949 1.00 0.00 H new ATOM 1273 N ILE A 77 28.779 -5.004 15.409 1.00 0.00 N ATOM 1274 CA ILE A 77 28.103 -3.696 15.144 1.00 0.00 C ATOM 1275 C ILE A 77 26.711 -3.698 15.860 1.00 0.00 C ATOM 1276 O ILE A 77 26.633 -3.436 17.068 1.00 0.00 O ATOM 1277 CB ILE A 77 28.189 -3.333 13.606 1.00 0.00 C ATOM 1278 CG1 ILE A 77 27.592 -1.925 13.315 1.00 0.00 C ATOM 1279 CG2 ILE A 77 27.638 -4.406 12.617 1.00 0.00 C ATOM 1280 CD1 ILE A 77 27.812 -1.387 11.893 1.00 0.00 C ATOM 0 H ILE A 77 28.186 -5.813 15.221 1.00 0.00 H new ATOM 0 HA ILE A 77 28.610 -2.841 15.590 1.00 0.00 H new ATOM 0 HB ILE A 77 29.260 -3.316 13.402 1.00 0.00 H new ATOM 0 HG12 ILE A 77 26.520 -1.959 13.509 1.00 0.00 H new ATOM 0 HG13 ILE A 77 28.022 -1.216 14.022 1.00 0.00 H new ATOM 0 HG21 ILE A 77 27.749 -4.048 11.593 1.00 0.00 H new ATOM 0 HG22 ILE A 77 28.196 -5.334 12.740 1.00 0.00 H new ATOM 0 HG23 ILE A 77 26.583 -4.586 12.826 1.00 0.00 H new ATOM 0 HD11 ILE A 77 27.355 -0.401 11.802 1.00 0.00 H new ATOM 0 HD12 ILE A 77 28.881 -1.312 11.694 1.00 0.00 H new ATOM 0 HD13 ILE A 77 27.356 -2.066 11.173 1.00 0.00 H new ATOM 1292 N ASP A 78 25.621 -4.036 15.146 1.00 0.00 N ATOM 1293 CA ASP A 78 24.284 -4.314 15.754 1.00 0.00 C ATOM 1294 C ASP A 78 24.226 -5.762 16.335 1.00 0.00 C ATOM 1295 O ASP A 78 23.611 -6.667 15.771 1.00 0.00 O ATOM 1296 CB ASP A 78 23.198 -3.963 14.700 1.00 0.00 C ATOM 1297 CG ASP A 78 21.740 -4.037 15.167 1.00 0.00 C ATOM 1298 OD1 ASP A 78 21.371 -3.846 16.319 1.00 0.00 O ATOM 1299 OD2 ASP A 78 20.887 -4.330 14.146 1.00 0.00 O ATOM 0 H ASP A 78 25.631 -4.127 14.130 1.00 0.00 H new ATOM 0 HA ASP A 78 24.091 -3.685 16.623 1.00 0.00 H new ATOM 0 HB2 ASP A 78 23.389 -2.953 14.337 1.00 0.00 H new ATOM 0 HB3 ASP A 78 23.318 -4.635 13.850 1.00 0.00 H new ATOM 1305 N ASP A 79 24.949 -5.958 17.450 1.00 0.00 N ATOM 1306 CA ASP A 79 25.298 -7.311 17.979 1.00 0.00 C ATOM 1307 C ASP A 79 25.474 -7.390 19.540 1.00 0.00 C ATOM 1308 O ASP A 79 25.735 -8.483 20.049 1.00 0.00 O ATOM 1309 CB ASP A 79 26.606 -7.804 17.286 1.00 0.00 C ATOM 1310 CG ASP A 79 26.558 -8.065 15.780 1.00 0.00 C ATOM 1311 OD1 ASP A 79 27.193 -7.414 14.957 1.00 0.00 O ATOM 1312 OD2 ASP A 79 25.731 -9.097 15.458 1.00 0.00 O ATOM 0 H ASP A 79 25.313 -5.193 18.018 1.00 0.00 H new ATOM 0 HA ASP A 79 24.447 -7.952 17.748 1.00 0.00 H new ATOM 0 HB2 ASP A 79 27.384 -7.064 17.473 1.00 0.00 H new ATOM 0 HB3 ASP A 79 26.918 -8.726 17.776 1.00 0.00 H new ATOM 1318 N ARG A 80 25.347 -6.290 20.310 1.00 0.00 N ATOM 1319 CA ARG A 80 25.457 -6.306 21.796 1.00 0.00 C ATOM 1320 C ARG A 80 24.038 -6.404 22.449 1.00 0.00 C ATOM 1321 O ARG A 80 23.515 -5.417 22.973 1.00 0.00 O ATOM 1322 CB ARG A 80 26.256 -5.027 22.184 1.00 0.00 C ATOM 1323 CG ARG A 80 26.721 -5.000 23.661 1.00 0.00 C ATOM 1324 CD ARG A 80 27.429 -3.687 24.040 1.00 0.00 C ATOM 1325 NE ARG A 80 27.990 -3.751 25.418 1.00 0.00 N ATOM 1326 CZ ARG A 80 27.346 -3.414 26.535 1.00 0.00 C ATOM 1327 NH1 ARG A 80 26.085 -3.041 26.586 1.00 0.00 N ATOM 1328 NH2 ARG A 80 28.014 -3.461 27.655 1.00 0.00 N ATOM 0 H ARG A 80 25.165 -5.363 19.926 1.00 0.00 H new ATOM 0 HA ARG A 80 25.988 -7.180 22.172 1.00 0.00 H new ATOM 0 HB2 ARG A 80 27.130 -4.946 21.537 1.00 0.00 H new ATOM 0 HB3 ARG A 80 25.636 -4.151 21.993 1.00 0.00 H new ATOM 0 HG2 ARG A 80 25.858 -5.143 24.311 1.00 0.00 H new ATOM 0 HG3 ARG A 80 27.397 -5.836 23.840 1.00 0.00 H new ATOM 0 HD2 ARG A 80 28.230 -3.485 23.328 1.00 0.00 H new ATOM 0 HD3 ARG A 80 26.724 -2.858 23.970 1.00 0.00 H new ATOM 0 HE ARG A 80 28.950 -4.081 25.515 1.00 0.00 H new ATOM 0 HH11 ARG A 80 25.532 -2.995 25.730 1.00 0.00 H new ATOM 0 HH12 ARG A 80 25.661 -2.798 27.481 1.00 0.00 H new ATOM 0 HH21 ARG A 80 28.993 -3.748 27.653 1.00 0.00 H new ATOM 0 HH22 ARG A 80 27.557 -3.211 28.532 1.00 0.00 H new ATOM 1342 N LYS A 81 23.403 -7.594 22.371 1.00 0.00 N ATOM 1343 CA LYS A 81 21.967 -7.807 22.752 1.00 0.00 C ATOM 1344 C LYS A 81 20.949 -6.712 22.268 1.00 0.00 C ATOM 1345 O LYS A 81 20.356 -5.983 23.071 1.00 0.00 O ATOM 1346 CB LYS A 81 21.851 -8.150 24.265 1.00 0.00 C ATOM 1347 CG LYS A 81 22.367 -9.555 24.653 1.00 0.00 C ATOM 1348 CD LYS A 81 22.075 -9.994 26.105 1.00 0.00 C ATOM 1349 CE LYS A 81 22.955 -9.366 27.205 1.00 0.00 C ATOM 1350 NZ LYS A 81 22.562 -7.977 27.527 1.00 0.00 N ATOM 0 H LYS A 81 23.863 -8.443 22.043 1.00 0.00 H new ATOM 0 HA LYS A 81 21.639 -8.673 22.177 1.00 0.00 H new ATOM 0 HB2 LYS A 81 22.405 -7.405 24.836 1.00 0.00 H new ATOM 0 HB3 LYS A 81 20.806 -8.067 24.563 1.00 0.00 H new ATOM 0 HG2 LYS A 81 21.925 -10.285 23.975 1.00 0.00 H new ATOM 0 HG3 LYS A 81 23.445 -9.584 24.493 1.00 0.00 H new ATOM 0 HD2 LYS A 81 21.033 -9.763 26.328 1.00 0.00 H new ATOM 0 HD3 LYS A 81 22.180 -11.077 26.161 1.00 0.00 H new ATOM 0 HE2 LYS A 81 22.892 -9.975 28.107 1.00 0.00 H new ATOM 0 HE3 LYS A 81 23.996 -9.379 26.883 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 22.811 -7.766 28.514 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 23.062 -7.319 26.895 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 21.536 -7.868 27.398 1.00 0.00 H new ATOM 1363 N CYS A 82 20.765 -6.594 20.941 1.00 0.00 N ATOM 1364 CA CYS A 82 19.930 -5.524 20.345 1.00 0.00 C ATOM 1365 C CYS A 82 18.518 -6.045 19.948 1.00 0.00 C ATOM 1366 O CYS A 82 18.371 -7.013 19.193 1.00 0.00 O ATOM 1367 CB CYS A 82 20.701 -4.936 19.153 1.00 0.00 C ATOM 1368 SG CYS A 82 22.269 -4.199 19.726 1.00 0.00 S ATOM 0 H CYS A 82 21.182 -7.225 20.256 1.00 0.00 H new ATOM 0 HA CYS A 82 19.746 -4.738 21.078 1.00 0.00 H new ATOM 0 HB2 CYS A 82 20.903 -5.716 18.419 1.00 0.00 H new ATOM 0 HB3 CYS A 82 20.095 -4.180 18.655 1.00 0.00 H new ATOM 0 HG CYS A 82 22.583 -4.694 20.886 1.00 0.00 H new ATOM 1374 N MET A 83 17.481 -5.360 20.450 1.00 0.00 N ATOM 1375 CA MET A 83 16.064 -5.615 20.084 1.00 0.00 C ATOM 1376 C MET A 83 15.716 -4.744 18.838 1.00 0.00 C ATOM 1377 O MET A 83 15.318 -3.582 18.968 1.00 0.00 O ATOM 1378 CB MET A 83 15.214 -5.251 21.340 1.00 0.00 C ATOM 1379 CG MET A 83 15.074 -6.360 22.400 1.00 0.00 C ATOM 1380 SD MET A 83 13.869 -7.588 21.850 1.00 0.00 S ATOM 1381 CE MET A 83 14.903 -9.048 21.714 1.00 0.00 C ATOM 0 H MET A 83 17.594 -4.606 21.127 1.00 0.00 H new ATOM 0 HA MET A 83 15.864 -6.651 19.812 1.00 0.00 H new ATOM 0 HB2 MET A 83 15.658 -4.375 21.814 1.00 0.00 H new ATOM 0 HB3 MET A 83 14.216 -4.963 21.009 1.00 0.00 H new ATOM 0 HG2 MET A 83 16.040 -6.836 22.570 1.00 0.00 H new ATOM 0 HG3 MET A 83 14.759 -5.929 23.350 1.00 0.00 H new ATOM 0 HE1 MET A 83 14.330 -9.859 21.266 1.00 0.00 H new ATOM 0 HE2 MET A 83 15.767 -8.825 21.088 1.00 0.00 H new ATOM 0 HE3 MET A 83 15.242 -9.348 22.706 1.00 0.00 H new ATOM 1391 N THR A 84 15.917 -5.279 17.620 1.00 0.00 N ATOM 1392 CA THR A 84 15.719 -4.486 16.371 1.00 0.00 C ATOM 1393 C THR A 84 14.266 -4.677 15.834 1.00 0.00 C ATOM 1394 O THR A 84 13.834 -5.797 15.554 1.00 0.00 O ATOM 1395 CB THR A 84 16.838 -4.796 15.335 1.00 0.00 C ATOM 1396 OG1 THR A 84 18.119 -4.498 15.889 1.00 0.00 O ATOM 1397 CG2 THR A 84 16.721 -3.948 14.060 1.00 0.00 C ATOM 0 H THR A 84 16.212 -6.243 17.464 1.00 0.00 H new ATOM 0 HA THR A 84 15.818 -3.422 16.587 1.00 0.00 H new ATOM 0 HB THR A 84 16.725 -5.852 15.089 1.00 0.00 H new ATOM 0 HG1 THR A 84 18.795 -5.080 15.483 1.00 0.00 H new ATOM 0 HG21 THR A 84 17.528 -4.208 13.375 1.00 0.00 H new ATOM 0 HG22 THR A 84 15.761 -4.142 13.581 1.00 0.00 H new ATOM 0 HG23 THR A 84 16.791 -2.891 14.318 1.00 0.00 H new ATOM 1405 N THR A 85 13.527 -3.569 15.686 1.00 0.00 N ATOM 1406 CA THR A 85 12.129 -3.580 15.160 1.00 0.00 C ATOM 1407 C THR A 85 12.135 -2.930 13.748 1.00 0.00 C ATOM 1408 O THR A 85 12.544 -1.772 13.603 1.00 0.00 O ATOM 1409 CB THR A 85 11.175 -2.830 16.137 1.00 0.00 C ATOM 1410 OG1 THR A 85 11.250 -3.391 17.439 1.00 0.00 O ATOM 1411 CG2 THR A 85 9.689 -2.897 15.746 1.00 0.00 C ATOM 0 H THR A 85 13.867 -2.637 15.923 1.00 0.00 H new ATOM 0 HA THR A 85 11.760 -4.602 15.080 1.00 0.00 H new ATOM 0 HB THR A 85 11.514 -1.795 16.097 1.00 0.00 H new ATOM 0 HG1 THR A 85 10.646 -2.906 18.039 1.00 0.00 H new ATOM 0 HG21 THR A 85 9.095 -2.350 16.478 1.00 0.00 H new ATOM 0 HG22 THR A 85 9.551 -2.451 14.761 1.00 0.00 H new ATOM 0 HG23 THR A 85 9.366 -3.938 15.721 1.00 0.00 H new ATOM 1419 N VAL A 86 11.664 -3.663 12.724 1.00 0.00 N ATOM 1420 CA VAL A 86 11.608 -3.157 11.318 1.00 0.00 C ATOM 1421 C VAL A 86 10.111 -3.128 10.869 1.00 0.00 C ATOM 1422 O VAL A 86 9.415 -4.140 10.977 1.00 0.00 O ATOM 1423 CB VAL A 86 12.508 -3.989 10.338 1.00 0.00 C ATOM 1424 CG1 VAL A 86 12.614 -3.305 8.954 1.00 0.00 C ATOM 1425 CG2 VAL A 86 13.956 -4.234 10.823 1.00 0.00 C ATOM 0 H VAL A 86 11.312 -4.614 12.833 1.00 0.00 H new ATOM 0 HA VAL A 86 12.019 -2.148 11.284 1.00 0.00 H new ATOM 0 HB VAL A 86 11.998 -4.951 10.286 1.00 0.00 H new ATOM 0 HG11 VAL A 86 13.244 -3.906 8.298 1.00 0.00 H new ATOM 0 HG12 VAL A 86 11.620 -3.212 8.517 1.00 0.00 H new ATOM 0 HG13 VAL A 86 13.053 -2.314 9.071 1.00 0.00 H new ATOM 0 HG21 VAL A 86 14.496 -4.817 10.077 1.00 0.00 H new ATOM 0 HG22 VAL A 86 14.458 -3.277 10.969 1.00 0.00 H new ATOM 0 HG23 VAL A 86 13.936 -4.781 11.766 1.00 0.00 H new ATOM 1435 N SER A 87 9.623 -1.988 10.349 1.00 0.00 N ATOM 1436 CA SER A 87 8.204 -1.794 9.941 1.00 0.00 C ATOM 1437 C SER A 87 8.051 -1.193 8.506 1.00 0.00 C ATOM 1438 O SER A 87 8.996 -0.678 7.897 1.00 0.00 O ATOM 1439 CB SER A 87 7.497 -0.923 11.012 1.00 0.00 C ATOM 1440 OG SER A 87 8.065 0.388 11.111 1.00 0.00 O ATOM 0 H SER A 87 10.201 -1.162 10.195 1.00 0.00 H new ATOM 0 HA SER A 87 7.726 -2.772 9.885 1.00 0.00 H new ATOM 0 HB2 SER A 87 6.438 -0.840 10.768 1.00 0.00 H new ATOM 0 HB3 SER A 87 7.563 -1.419 11.981 1.00 0.00 H new ATOM 0 HG SER A 87 7.587 0.901 11.796 1.00 0.00 H new ATOM 1446 N TRP A 88 6.819 -1.254 7.973 1.00 0.00 N ATOM 1447 CA TRP A 88 6.476 -0.639 6.657 1.00 0.00 C ATOM 1448 C TRP A 88 5.823 0.770 6.824 1.00 0.00 C ATOM 1449 O TRP A 88 4.841 0.936 7.554 1.00 0.00 O ATOM 1450 CB TRP A 88 5.517 -1.567 5.855 1.00 0.00 C ATOM 1451 CG TRP A 88 6.179 -2.782 5.196 1.00 0.00 C ATOM 1452 CD1 TRP A 88 5.935 -4.134 5.516 1.00 0.00 C ATOM 1453 CD2 TRP A 88 7.067 -2.804 4.134 1.00 0.00 C ATOM 1454 NE1 TRP A 88 6.671 -5.008 4.690 1.00 0.00 N ATOM 1455 CE2 TRP A 88 7.376 -4.160 3.853 1.00 0.00 C ATOM 1456 CE3 TRP A 88 7.603 -1.762 3.329 1.00 0.00 C ATOM 1457 CZ2 TRP A 88 8.235 -4.484 2.780 1.00 0.00 C ATOM 1458 CZ3 TRP A 88 8.434 -2.112 2.267 1.00 0.00 C ATOM 1459 CH2 TRP A 88 8.751 -3.450 1.998 1.00 0.00 C ATOM 0 H TRP A 88 6.034 -1.722 8.427 1.00 0.00 H new ATOM 0 HA TRP A 88 7.409 -0.516 6.107 1.00 0.00 H new ATOM 0 HB2 TRP A 88 4.734 -1.920 6.526 1.00 0.00 H new ATOM 0 HB3 TRP A 88 5.029 -0.975 5.080 1.00 0.00 H new ATOM 0 HD1 TRP A 88 5.266 -4.460 6.299 1.00 0.00 H new ATOM 0 HE1 TRP A 88 6.682 -6.028 4.705 1.00 0.00 H new ATOM 0 HE3 TRP A 88 7.372 -0.727 3.535 1.00 0.00 H new ATOM 0 HZ2 TRP A 88 8.488 -5.513 2.569 1.00 0.00 H new ATOM 0 HZ3 TRP A 88 8.843 -1.335 1.638 1.00 0.00 H new ATOM 0 HH2 TRP A 88 9.406 -3.685 1.172 1.00 0.00 H new ATOM 1470 N ASP A 89 6.345 1.769 6.093 1.00 0.00 N ATOM 1471 CA ASP A 89 5.805 3.155 6.086 1.00 0.00 C ATOM 1472 C ASP A 89 5.518 3.601 4.612 1.00 0.00 C ATOM 1473 O ASP A 89 6.331 4.283 3.980 1.00 0.00 O ATOM 1474 CB ASP A 89 6.848 4.016 6.849 1.00 0.00 C ATOM 1475 CG ASP A 89 6.495 5.490 7.040 1.00 0.00 C ATOM 1476 OD1 ASP A 89 5.354 5.914 7.191 1.00 0.00 O ATOM 1477 OD2 ASP A 89 7.600 6.288 7.035 1.00 0.00 O ATOM 0 H ASP A 89 7.155 1.646 5.486 1.00 0.00 H new ATOM 0 HA ASP A 89 4.843 3.260 6.588 1.00 0.00 H new ATOM 0 HB2 ASP A 89 7.006 3.571 7.832 1.00 0.00 H new ATOM 0 HB3 ASP A 89 7.797 3.957 6.316 1.00 0.00 H new ATOM 1483 N GLY A 90 4.358 3.198 4.058 1.00 0.00 N ATOM 1484 CA GLY A 90 3.886 3.679 2.722 1.00 0.00 C ATOM 1485 C GLY A 90 4.678 3.380 1.419 1.00 0.00 C ATOM 1486 O GLY A 90 4.413 4.055 0.426 1.00 0.00 O ATOM 0 H GLY A 90 3.722 2.540 4.507 1.00 0.00 H new ATOM 0 HA2 GLY A 90 2.882 3.280 2.580 1.00 0.00 H new ATOM 0 HA3 GLY A 90 3.791 4.763 2.792 1.00 0.00 H new ATOM 1490 N ASP A 91 5.599 2.399 1.420 1.00 0.00 N ATOM 1491 CA ASP A 91 6.745 2.218 0.456 1.00 0.00 C ATOM 1492 C ASP A 91 8.110 2.084 1.220 1.00 0.00 C ATOM 1493 O ASP A 91 8.931 1.237 0.856 1.00 0.00 O ATOM 1494 CB ASP A 91 6.933 3.234 -0.712 1.00 0.00 C ATOM 1495 CG ASP A 91 6.143 2.931 -1.984 1.00 0.00 C ATOM 1496 OD1 ASP A 91 6.667 2.508 -3.010 1.00 0.00 O ATOM 1497 OD2 ASP A 91 4.811 3.193 -1.851 1.00 0.00 O ATOM 0 H ASP A 91 5.579 1.661 2.124 1.00 0.00 H new ATOM 0 HA ASP A 91 6.437 1.301 -0.047 1.00 0.00 H new ATOM 0 HB2 ASP A 91 6.649 4.225 -0.357 1.00 0.00 H new ATOM 0 HB3 ASP A 91 7.992 3.277 -0.965 1.00 0.00 H new ATOM 1503 N LYS A 92 8.381 2.942 2.225 1.00 0.00 N ATOM 1504 CA LYS A 92 9.664 2.954 2.975 1.00 0.00 C ATOM 1505 C LYS A 92 9.735 1.803 4.028 1.00 0.00 C ATOM 1506 O LYS A 92 8.756 1.492 4.715 1.00 0.00 O ATOM 1507 CB LYS A 92 9.835 4.326 3.692 1.00 0.00 C ATOM 1508 CG LYS A 92 9.906 5.587 2.798 1.00 0.00 C ATOM 1509 CD LYS A 92 10.164 6.867 3.620 1.00 0.00 C ATOM 1510 CE LYS A 92 10.279 8.152 2.781 1.00 0.00 C ATOM 1511 NZ LYS A 92 11.572 8.251 2.071 1.00 0.00 N ATOM 0 H LYS A 92 7.718 3.649 2.543 1.00 0.00 H new ATOM 0 HA LYS A 92 10.470 2.799 2.258 1.00 0.00 H new ATOM 0 HB2 LYS A 92 9.004 4.450 4.386 1.00 0.00 H new ATOM 0 HB3 LYS A 92 10.746 4.284 4.290 1.00 0.00 H new ATOM 0 HG2 LYS A 92 10.699 5.464 2.061 1.00 0.00 H new ATOM 0 HG3 LYS A 92 8.972 5.693 2.246 1.00 0.00 H new ATOM 0 HD2 LYS A 92 9.356 6.990 4.341 1.00 0.00 H new ATOM 0 HD3 LYS A 92 11.083 6.738 4.191 1.00 0.00 H new ATOM 0 HE2 LYS A 92 9.466 8.182 2.055 1.00 0.00 H new ATOM 0 HE3 LYS A 92 10.158 9.019 3.431 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 11.599 9.133 1.521 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 12.349 8.250 2.763 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 11.679 7.440 1.429 1.00 0.00 H new ATOM 1524 N LEU A 93 10.922 1.208 4.187 1.00 0.00 N ATOM 1525 CA LEU A 93 11.197 0.222 5.258 1.00 0.00 C ATOM 1526 C LEU A 93 11.900 0.958 6.446 1.00 0.00 C ATOM 1527 O LEU A 93 13.079 1.325 6.364 1.00 0.00 O ATOM 1528 CB LEU A 93 12.029 -0.902 4.590 1.00 0.00 C ATOM 1529 CG LEU A 93 12.292 -2.162 5.443 1.00 0.00 C ATOM 1530 CD1 LEU A 93 11.016 -2.999 5.645 1.00 0.00 C ATOM 1531 CD2 LEU A 93 13.369 -3.022 4.764 1.00 0.00 C ATOM 0 H LEU A 93 11.723 1.390 3.582 1.00 0.00 H new ATOM 0 HA LEU A 93 10.309 -0.234 5.696 1.00 0.00 H new ATOM 0 HB2 LEU A 93 11.518 -1.208 3.677 1.00 0.00 H new ATOM 0 HB3 LEU A 93 12.991 -0.484 4.293 1.00 0.00 H new ATOM 0 HG LEU A 93 12.632 -1.835 6.426 1.00 0.00 H new ATOM 0 HD11 LEU A 93 11.248 -3.875 6.250 1.00 0.00 H new ATOM 0 HD12 LEU A 93 10.262 -2.397 6.152 1.00 0.00 H new ATOM 0 HD13 LEU A 93 10.633 -3.319 4.676 1.00 0.00 H new ATOM 0 HD21 LEU A 93 13.556 -3.912 5.365 1.00 0.00 H new ATOM 0 HD22 LEU A 93 13.026 -3.319 3.773 1.00 0.00 H new ATOM 0 HD23 LEU A 93 14.290 -2.446 4.672 1.00 0.00 H new ATOM 1543 N GLN A 94 11.145 1.215 7.525 1.00 0.00 N ATOM 1544 CA GLN A 94 11.649 1.947 8.722 1.00 0.00 C ATOM 1545 C GLN A 94 12.203 0.975 9.804 1.00 0.00 C ATOM 1546 O GLN A 94 11.622 -0.087 10.037 1.00 0.00 O ATOM 1547 CB GLN A 94 10.493 2.788 9.335 1.00 0.00 C ATOM 1548 CG GLN A 94 10.085 4.034 8.530 1.00 0.00 C ATOM 1549 CD GLN A 94 11.140 5.142 8.479 1.00 0.00 C ATOM 1550 OE1 GLN A 94 12.279 5.063 8.932 1.00 0.00 O ATOM 1551 NE2 GLN A 94 10.803 6.201 7.819 1.00 0.00 N ATOM 0 H GLN A 94 10.170 0.927 7.603 1.00 0.00 H new ATOM 0 HA GLN A 94 12.465 2.594 8.400 1.00 0.00 H new ATOM 0 HB2 GLN A 94 9.619 2.146 9.447 1.00 0.00 H new ATOM 0 HB3 GLN A 94 10.787 3.103 10.336 1.00 0.00 H new ATOM 0 HG2 GLN A 94 9.850 3.729 7.510 1.00 0.00 H new ATOM 0 HG3 GLN A 94 9.170 4.443 8.959 1.00 0.00 H new ATOM 0 HE21 GLN A 94 9.862 6.285 7.435 1.00 0.00 H new ATOM 0 HE22 GLN A 94 11.478 6.953 7.682 1.00 0.00 H new ATOM 1560 N CYS A 95 13.288 1.347 10.501 1.00 0.00 N ATOM 1561 CA CYS A 95 13.915 0.486 11.534 1.00 0.00 C ATOM 1562 C CYS A 95 14.370 1.300 12.777 1.00 0.00 C ATOM 1563 O CYS A 95 15.019 2.343 12.645 1.00 0.00 O ATOM 1564 CB CYS A 95 15.106 -0.240 10.877 1.00 0.00 C ATOM 1565 SG CYS A 95 15.855 -1.468 12.000 1.00 0.00 S ATOM 0 H CYS A 95 13.757 2.243 10.371 1.00 0.00 H new ATOM 0 HA CYS A 95 13.184 -0.234 11.901 1.00 0.00 H new ATOM 0 HB2 CYS A 95 14.771 -0.737 9.966 1.00 0.00 H new ATOM 0 HB3 CYS A 95 15.860 0.491 10.583 1.00 0.00 H new ATOM 0 HG CYS A 95 17.031 -1.801 11.557 1.00 0.00 H new ATOM 1571 N VAL A 96 14.108 0.762 13.982 1.00 0.00 N ATOM 1572 CA VAL A 96 14.783 1.205 15.241 1.00 0.00 C ATOM 1573 C VAL A 96 15.658 0.032 15.807 1.00 0.00 C ATOM 1574 O VAL A 96 15.188 -1.100 15.967 1.00 0.00 O ATOM 1575 CB VAL A 96 13.760 1.812 16.265 1.00 0.00 C ATOM 1576 CG1 VAL A 96 12.675 0.840 16.782 1.00 0.00 C ATOM 1577 CG2 VAL A 96 14.447 2.464 17.488 1.00 0.00 C ATOM 0 H VAL A 96 13.430 0.013 14.123 1.00 0.00 H new ATOM 0 HA VAL A 96 15.466 2.027 15.027 1.00 0.00 H new ATOM 0 HB VAL A 96 13.258 2.569 15.663 1.00 0.00 H new ATOM 0 HG11 VAL A 96 12.023 1.362 17.482 1.00 0.00 H new ATOM 0 HG12 VAL A 96 12.085 0.473 15.942 1.00 0.00 H new ATOM 0 HG13 VAL A 96 13.151 -0.001 17.287 1.00 0.00 H new ATOM 0 HG21 VAL A 96 13.689 2.866 18.160 1.00 0.00 H new ATOM 0 HG22 VAL A 96 15.039 1.715 18.015 1.00 0.00 H new ATOM 0 HG23 VAL A 96 15.098 3.271 17.152 1.00 0.00 H new ATOM 1587 N GLN A 97 16.936 0.315 16.113 1.00 0.00 N ATOM 1588 CA GLN A 97 17.894 -0.687 16.669 1.00 0.00 C ATOM 1589 C GLN A 97 18.129 -0.404 18.192 1.00 0.00 C ATOM 1590 O GLN A 97 19.161 0.144 18.591 1.00 0.00 O ATOM 1591 CB GLN A 97 19.203 -0.609 15.828 1.00 0.00 C ATOM 1592 CG GLN A 97 19.129 -1.083 14.355 1.00 0.00 C ATOM 1593 CD GLN A 97 20.307 -0.639 13.481 1.00 0.00 C ATOM 1594 OE1 GLN A 97 20.582 0.544 13.310 1.00 0.00 O ATOM 1595 NE2 GLN A 97 21.012 -1.549 12.855 1.00 0.00 N ATOM 0 H GLN A 97 17.345 1.241 15.986 1.00 0.00 H new ATOM 0 HA GLN A 97 17.501 -1.702 16.602 1.00 0.00 H new ATOM 0 HB2 GLN A 97 19.546 0.426 15.833 1.00 0.00 H new ATOM 0 HB3 GLN A 97 19.966 -1.200 16.335 1.00 0.00 H new ATOM 0 HG2 GLN A 97 19.073 -2.171 14.340 1.00 0.00 H new ATOM 0 HG3 GLN A 97 18.205 -0.710 13.913 1.00 0.00 H new ATOM 0 HE21 GLN A 97 20.798 -2.538 12.985 1.00 0.00 H new ATOM 0 HE22 GLN A 97 21.774 -1.268 12.238 1.00 0.00 H new ATOM 1604 N LYS A 98 17.160 -0.752 19.061 1.00 0.00 N ATOM 1605 CA LYS A 98 17.216 -0.395 20.511 1.00 0.00 C ATOM 1606 C LYS A 98 17.996 -1.440 21.379 1.00 0.00 C ATOM 1607 O LYS A 98 17.916 -2.653 21.163 1.00 0.00 O ATOM 1608 CB LYS A 98 15.797 -0.056 21.045 1.00 0.00 C ATOM 1609 CG LYS A 98 14.764 -1.207 21.035 1.00 0.00 C ATOM 1610 CD LYS A 98 13.410 -0.894 21.692 1.00 0.00 C ATOM 1611 CE LYS A 98 13.457 -0.816 23.227 1.00 0.00 C ATOM 1612 NZ LYS A 98 12.111 -0.544 23.765 1.00 0.00 N ATOM 0 H LYS A 98 16.328 -1.278 18.795 1.00 0.00 H new ATOM 0 HA LYS A 98 17.813 0.512 20.607 1.00 0.00 H new ATOM 0 HB2 LYS A 98 15.895 0.306 22.068 1.00 0.00 H new ATOM 0 HB3 LYS A 98 15.397 0.767 20.453 1.00 0.00 H new ATOM 0 HG2 LYS A 98 14.586 -1.501 20.001 1.00 0.00 H new ATOM 0 HG3 LYS A 98 15.202 -2.068 21.540 1.00 0.00 H new ATOM 0 HD2 LYS A 98 13.040 0.055 21.302 1.00 0.00 H new ATOM 0 HD3 LYS A 98 12.692 -1.660 21.400 1.00 0.00 H new ATOM 0 HE2 LYS A 98 13.837 -1.753 23.634 1.00 0.00 H new ATOM 0 HE3 LYS A 98 14.146 -0.031 23.538 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 12.156 -0.494 24.803 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 11.763 0.361 23.389 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 11.464 -1.308 23.483 1.00 0.00 H new ATOM 1625 N GLY A 99 18.772 -0.947 22.356 1.00 0.00 N ATOM 1626 CA GLY A 99 19.719 -1.790 23.140 1.00 0.00 C ATOM 1627 C GLY A 99 21.106 -1.149 23.344 1.00 0.00 C ATOM 1628 O GLY A 99 21.475 -0.828 24.474 1.00 0.00 O ATOM 0 H GLY A 99 18.770 0.035 22.631 1.00 0.00 H new ATOM 0 HA2 GLY A 99 19.280 -2.001 24.115 1.00 0.00 H new ATOM 0 HA3 GLY A 99 19.843 -2.747 22.633 1.00 0.00 H new ATOM 1632 N GLU A 100 21.876 -0.984 22.256 1.00 0.00 N ATOM 1633 CA GLU A 100 23.274 -0.463 22.325 1.00 0.00 C ATOM 1634 C GLU A 100 23.404 1.095 22.471 1.00 0.00 C ATOM 1635 O GLU A 100 24.129 1.543 23.361 1.00 0.00 O ATOM 1636 CB GLU A 100 24.035 -1.022 21.088 1.00 0.00 C ATOM 1637 CG GLU A 100 25.584 -0.968 21.152 1.00 0.00 C ATOM 1638 CD GLU A 100 26.263 -1.333 19.827 1.00 0.00 C ATOM 1639 OE1 GLU A 100 26.811 -0.510 19.098 1.00 0.00 O ATOM 1640 OE2 GLU A 100 26.171 -2.665 19.535 1.00 0.00 O ATOM 0 H GLU A 100 21.563 -1.201 21.310 1.00 0.00 H new ATOM 0 HA GLU A 100 23.726 -0.815 23.252 1.00 0.00 H new ATOM 0 HB2 GLU A 100 23.735 -2.060 20.942 1.00 0.00 H new ATOM 0 HB3 GLU A 100 23.709 -0.469 20.207 1.00 0.00 H new ATOM 0 HG2 GLU A 100 25.893 0.035 21.445 1.00 0.00 H new ATOM 0 HG3 GLU A 100 25.932 -1.649 21.929 1.00 0.00 H new ATOM 1648 N LYS A 101 22.779 1.910 21.589 1.00 0.00 N ATOM 1649 CA LYS A 101 23.073 3.374 21.481 1.00 0.00 C ATOM 1650 C LYS A 101 21.802 4.284 21.430 1.00 0.00 C ATOM 1651 O LYS A 101 20.695 3.858 21.082 1.00 0.00 O ATOM 1652 CB LYS A 101 23.976 3.632 20.233 1.00 0.00 C ATOM 1653 CG LYS A 101 25.428 3.111 20.294 1.00 0.00 C ATOM 1654 CD LYS A 101 26.266 3.692 21.449 1.00 0.00 C ATOM 1655 CE LYS A 101 27.781 3.468 21.323 1.00 0.00 C ATOM 1656 NZ LYS A 101 28.167 2.048 21.456 1.00 0.00 N ATOM 0 H LYS A 101 22.065 1.585 20.937 1.00 0.00 H new ATOM 0 HA LYS A 101 23.593 3.653 22.398 1.00 0.00 H new ATOM 0 HB2 LYS A 101 23.492 3.182 19.366 1.00 0.00 H new ATOM 0 HB3 LYS A 101 24.010 4.707 20.057 1.00 0.00 H new ATOM 0 HG2 LYS A 101 25.408 2.025 20.387 1.00 0.00 H new ATOM 0 HG3 LYS A 101 25.923 3.341 19.351 1.00 0.00 H new ATOM 0 HD2 LYS A 101 26.076 4.763 21.514 1.00 0.00 H new ATOM 0 HD3 LYS A 101 25.924 3.250 22.385 1.00 0.00 H new ATOM 0 HE2 LYS A 101 28.119 3.842 20.356 1.00 0.00 H new ATOM 0 HE3 LYS A 101 28.294 4.052 22.088 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 28.949 1.963 22.136 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 27.352 1.497 21.794 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 28.472 1.683 20.531 1.00 0.00 H new ATOM 1669 N GLU A 102 21.999 5.584 21.740 1.00 0.00 N ATOM 1670 CA GLU A 102 20.929 6.617 21.658 1.00 0.00 C ATOM 1671 C GLU A 102 20.648 7.070 20.187 1.00 0.00 C ATOM 1672 O GLU A 102 21.580 7.246 19.395 1.00 0.00 O ATOM 1673 CB GLU A 102 21.301 7.800 22.601 1.00 0.00 C ATOM 1674 CG GLU A 102 22.518 8.674 22.187 1.00 0.00 C ATOM 1675 CD GLU A 102 22.952 9.741 23.194 1.00 0.00 C ATOM 1676 OE1 GLU A 102 22.169 10.355 23.914 1.00 0.00 O ATOM 1677 OE2 GLU A 102 24.305 9.947 23.179 1.00 0.00 O ATOM 0 H GLU A 102 22.898 5.951 22.053 1.00 0.00 H new ATOM 0 HA GLU A 102 19.987 6.186 21.997 1.00 0.00 H new ATOM 0 HB2 GLU A 102 20.431 8.450 22.689 1.00 0.00 H new ATOM 0 HB3 GLU A 102 21.497 7.394 23.593 1.00 0.00 H new ATOM 0 HG2 GLU A 102 23.366 8.015 21.998 1.00 0.00 H new ATOM 0 HG3 GLU A 102 22.282 9.167 21.244 1.00 0.00 H new ATOM 1685 N GLY A 103 19.368 7.235 19.812 1.00 0.00 N ATOM 1686 CA GLY A 103 18.989 7.589 18.409 1.00 0.00 C ATOM 1687 C GLY A 103 19.354 6.608 17.268 1.00 0.00 C ATOM 1688 O GLY A 103 19.694 7.062 16.174 1.00 0.00 O ATOM 0 H GLY A 103 18.575 7.133 20.446 1.00 0.00 H new ATOM 0 HA2 GLY A 103 17.909 7.735 18.386 1.00 0.00 H new ATOM 0 HA3 GLY A 103 19.446 8.551 18.176 1.00 0.00 H new ATOM 1692 N ARG A 104 19.298 5.289 17.523 1.00 0.00 N ATOM 1693 CA ARG A 104 19.826 4.272 16.585 1.00 0.00 C ATOM 1694 C ARG A 104 18.715 3.664 15.672 1.00 0.00 C ATOM 1695 O ARG A 104 17.730 3.091 16.152 1.00 0.00 O ATOM 1696 CB ARG A 104 20.580 3.189 17.400 1.00 0.00 C ATOM 1697 CG ARG A 104 21.581 2.394 16.531 1.00 0.00 C ATOM 1698 CD ARG A 104 22.113 1.138 17.228 1.00 0.00 C ATOM 1699 NE ARG A 104 23.088 0.475 16.334 1.00 0.00 N ATOM 1700 CZ ARG A 104 23.809 -0.580 16.676 1.00 0.00 C ATOM 1701 NH1 ARG A 104 23.541 -1.344 17.704 1.00 0.00 N ATOM 1702 NH2 ARG A 104 24.847 -0.869 15.953 1.00 0.00 N ATOM 0 H ARG A 104 18.892 4.897 18.373 1.00 0.00 H new ATOM 0 HA ARG A 104 20.523 4.752 15.898 1.00 0.00 H new ATOM 0 HB2 ARG A 104 21.114 3.663 18.224 1.00 0.00 H new ATOM 0 HB3 ARG A 104 19.859 2.501 17.841 1.00 0.00 H new ATOM 0 HG2 ARG A 104 21.096 2.107 15.598 1.00 0.00 H new ATOM 0 HG3 ARG A 104 22.419 3.040 16.269 1.00 0.00 H new ATOM 0 HD2 ARG A 104 22.587 1.403 18.173 1.00 0.00 H new ATOM 0 HD3 ARG A 104 21.293 0.459 17.462 1.00 0.00 H new ATOM 0 HE ARG A 104 23.212 0.855 15.396 1.00 0.00 H new ATOM 0 HH11 ARG A 104 22.735 -1.139 18.295 1.00 0.00 H new ATOM 0 HH12 ARG A 104 24.138 -2.144 17.914 1.00 0.00 H new ATOM 0 HH21 ARG A 104 25.085 -0.289 15.148 1.00 0.00 H new ATOM 0 HH22 ARG A 104 25.424 -1.676 16.189 1.00 0.00 H new ATOM 1716 N GLY A 105 18.910 3.750 14.350 1.00 0.00 N ATOM 1717 CA GLY A 105 17.971 3.150 13.372 1.00 0.00 C ATOM 1718 C GLY A 105 18.358 3.352 11.896 1.00 0.00 C ATOM 1719 O GLY A 105 19.462 3.790 11.561 1.00 0.00 O ATOM 0 H GLY A 105 19.706 4.227 13.926 1.00 0.00 H new ATOM 0 HA2 GLY A 105 17.897 2.081 13.570 1.00 0.00 H new ATOM 0 HA3 GLY A 105 16.980 3.574 13.534 1.00 0.00 H new ATOM 1723 N TRP A 106 17.423 3.023 10.993 1.00 0.00 N ATOM 1724 CA TRP A 106 17.605 3.259 9.532 1.00 0.00 C ATOM 1725 C TRP A 106 16.267 3.398 8.739 1.00 0.00 C ATOM 1726 O TRP A 106 15.216 2.887 9.130 1.00 0.00 O ATOM 1727 CB TRP A 106 18.622 2.268 8.875 1.00 0.00 C ATOM 1728 CG TRP A 106 18.403 0.756 8.995 1.00 0.00 C ATOM 1729 CD1 TRP A 106 19.125 -0.084 9.868 1.00 0.00 C ATOM 1730 CD2 TRP A 106 17.535 -0.076 8.312 1.00 0.00 C ATOM 1731 NE1 TRP A 106 18.727 -1.429 9.751 1.00 0.00 N ATOM 1732 CE2 TRP A 106 17.731 -1.399 8.788 1.00 0.00 C ATOM 1733 CE3 TRP A 106 16.519 0.201 7.365 1.00 0.00 C ATOM 1734 CZ2 TRP A 106 16.901 -2.449 8.329 1.00 0.00 C ATOM 1735 CZ3 TRP A 106 15.702 -0.845 6.939 1.00 0.00 C ATOM 1736 CH2 TRP A 106 15.894 -2.152 7.406 1.00 0.00 C ATOM 0 H TRP A 106 16.531 2.593 11.237 1.00 0.00 H new ATOM 0 HA TRP A 106 18.066 4.244 9.459 1.00 0.00 H new ATOM 0 HB2 TRP A 106 18.667 2.506 7.812 1.00 0.00 H new ATOM 0 HB3 TRP A 106 19.605 2.488 9.292 1.00 0.00 H new ATOM 0 HD1 TRP A 106 19.891 0.263 10.545 1.00 0.00 H new ATOM 0 HE1 TRP A 106 19.088 -2.238 10.257 1.00 0.00 H new ATOM 0 HE3 TRP A 106 16.380 1.201 6.981 1.00 0.00 H new ATOM 0 HZ2 TRP A 106 17.043 -3.459 8.684 1.00 0.00 H new ATOM 0 HZ3 TRP A 106 14.907 -0.644 6.236 1.00 0.00 H new ATOM 0 HH2 TRP A 106 15.253 -2.944 7.047 1.00 0.00 H new ATOM 1747 N THR A 107 16.336 4.078 7.582 1.00 0.00 N ATOM 1748 CA THR A 107 15.201 4.195 6.622 1.00 0.00 C ATOM 1749 C THR A 107 15.700 3.706 5.223 1.00 0.00 C ATOM 1750 O THR A 107 16.624 4.295 4.651 1.00 0.00 O ATOM 1751 CB THR A 107 14.685 5.668 6.584 1.00 0.00 C ATOM 1752 OG1 THR A 107 14.335 6.138 7.886 1.00 0.00 O ATOM 1753 CG2 THR A 107 13.447 5.868 5.699 1.00 0.00 C ATOM 0 H THR A 107 17.178 4.567 7.276 1.00 0.00 H new ATOM 0 HA THR A 107 14.359 3.575 6.931 1.00 0.00 H new ATOM 0 HB THR A 107 15.521 6.229 6.167 1.00 0.00 H new ATOM 0 HG1 THR A 107 13.722 5.501 8.310 1.00 0.00 H new ATOM 0 HG21 THR A 107 13.148 6.916 5.723 1.00 0.00 H new ATOM 0 HG22 THR A 107 13.682 5.581 4.674 1.00 0.00 H new ATOM 0 HG23 THR A 107 12.630 5.249 6.070 1.00 0.00 H new ATOM 1761 N GLN A 108 15.085 2.642 4.675 1.00 0.00 N ATOM 1762 CA GLN A 108 15.474 2.058 3.357 1.00 0.00 C ATOM 1763 C GLN A 108 14.294 2.140 2.336 1.00 0.00 C ATOM 1764 O GLN A 108 13.169 1.742 2.648 1.00 0.00 O ATOM 1765 CB GLN A 108 15.935 0.599 3.612 1.00 0.00 C ATOM 1766 CG GLN A 108 16.747 -0.043 2.465 1.00 0.00 C ATOM 1767 CD GLN A 108 17.067 -1.527 2.700 1.00 0.00 C ATOM 1768 OE1 GLN A 108 16.201 -2.393 2.708 1.00 0.00 O ATOM 1769 NE2 GLN A 108 18.312 -1.886 2.887 1.00 0.00 N ATOM 0 H GLN A 108 14.307 2.157 5.123 1.00 0.00 H new ATOM 0 HA GLN A 108 16.291 2.623 2.909 1.00 0.00 H new ATOM 0 HB2 GLN A 108 16.539 0.579 4.519 1.00 0.00 H new ATOM 0 HB3 GLN A 108 15.055 -0.016 3.801 1.00 0.00 H new ATOM 0 HG2 GLN A 108 16.189 0.058 1.534 1.00 0.00 H new ATOM 0 HG3 GLN A 108 17.680 0.507 2.338 1.00 0.00 H new ATOM 0 HE21 GLN A 108 19.051 -1.183 2.885 1.00 0.00 H new ATOM 0 HE22 GLN A 108 18.543 -2.868 3.035 1.00 0.00 H new ATOM 1778 N TRP A 109 14.528 2.655 1.114 1.00 0.00 N ATOM 1779 CA TRP A 109 13.440 2.874 0.109 1.00 0.00 C ATOM 1780 C TRP A 109 13.931 2.760 -1.374 1.00 0.00 C ATOM 1781 O TRP A 109 15.112 2.963 -1.665 1.00 0.00 O ATOM 1782 CB TRP A 109 12.695 4.204 0.440 1.00 0.00 C ATOM 1783 CG TRP A 109 13.394 5.521 0.073 1.00 0.00 C ATOM 1784 CD1 TRP A 109 13.222 6.193 -1.150 1.00 0.00 C ATOM 1785 CD2 TRP A 109 14.336 6.258 0.771 1.00 0.00 C ATOM 1786 NE1 TRP A 109 14.048 7.326 -1.252 1.00 0.00 N ATOM 1787 CE2 TRP A 109 14.717 7.357 -0.042 1.00 0.00 C ATOM 1788 CE3 TRP A 109 14.955 6.050 2.030 1.00 0.00 C ATOM 1789 CZ2 TRP A 109 15.714 8.254 0.399 1.00 0.00 C ATOM 1790 CZ3 TRP A 109 15.934 6.953 2.447 1.00 0.00 C ATOM 1791 CH2 TRP A 109 16.305 8.040 1.645 1.00 0.00 C ATOM 0 H TRP A 109 15.454 2.930 0.788 1.00 0.00 H new ATOM 0 HA TRP A 109 12.718 2.061 0.190 1.00 0.00 H new ATOM 0 HB2 TRP A 109 11.730 4.183 -0.066 1.00 0.00 H new ATOM 0 HB3 TRP A 109 12.493 4.218 1.511 1.00 0.00 H new ATOM 0 HD1 TRP A 109 12.535 5.876 -1.921 1.00 0.00 H new ATOM 0 HE1 TRP A 109 14.134 7.974 -2.035 1.00 0.00 H new ATOM 0 HE3 TRP A 109 14.675 5.212 2.652 1.00 0.00 H new ATOM 0 HZ2 TRP A 109 16.014 9.090 -0.216 1.00 0.00 H new ATOM 0 HZ3 TRP A 109 16.414 6.811 3.404 1.00 0.00 H new ATOM 0 HH2 TRP A 109 17.062 8.725 1.997 1.00 0.00 H new ATOM 1802 N ILE A 110 13.023 2.462 -2.327 1.00 0.00 N ATOM 1803 CA ILE A 110 13.395 2.261 -3.769 1.00 0.00 C ATOM 1804 C ILE A 110 13.059 3.529 -4.627 1.00 0.00 C ATOM 1805 O ILE A 110 12.053 4.222 -4.430 1.00 0.00 O ATOM 1806 CB ILE A 110 12.793 0.917 -4.334 1.00 0.00 C ATOM 1807 CG1 ILE A 110 13.270 -0.342 -3.546 1.00 0.00 C ATOM 1808 CG2 ILE A 110 13.097 0.685 -5.844 1.00 0.00 C ATOM 1809 CD1 ILE A 110 12.478 -1.626 -3.833 1.00 0.00 C ATOM 0 H ILE A 110 12.027 2.353 -2.138 1.00 0.00 H new ATOM 0 HA ILE A 110 14.477 2.145 -3.838 1.00 0.00 H new ATOM 0 HB ILE A 110 11.718 1.044 -4.205 1.00 0.00 H new ATOM 0 HG12 ILE A 110 14.320 -0.521 -3.778 1.00 0.00 H new ATOM 0 HG13 ILE A 110 13.212 -0.128 -2.479 1.00 0.00 H new ATOM 0 HG21 ILE A 110 12.653 -0.258 -6.164 1.00 0.00 H new ATOM 0 HG22 ILE A 110 12.676 1.502 -6.430 1.00 0.00 H new ATOM 0 HG23 ILE A 110 14.176 0.648 -5.996 1.00 0.00 H new ATOM 0 HD11 ILE A 110 12.884 -2.445 -3.239 1.00 0.00 H new ATOM 0 HD12 ILE A 110 11.431 -1.473 -3.572 1.00 0.00 H new ATOM 0 HD13 ILE A 110 12.556 -1.873 -4.892 1.00 0.00 H new ATOM 1821 N GLU A 111 13.951 3.839 -5.586 1.00 0.00 N ATOM 1822 CA GLU A 111 13.841 5.032 -6.472 1.00 0.00 C ATOM 1823 C GLU A 111 14.259 4.633 -7.920 1.00 0.00 C ATOM 1824 O GLU A 111 15.431 4.709 -8.308 1.00 0.00 O ATOM 1825 CB GLU A 111 14.682 6.196 -5.875 1.00 0.00 C ATOM 1826 CG GLU A 111 14.198 6.728 -4.512 1.00 0.00 C ATOM 1827 CD GLU A 111 12.919 7.561 -4.543 1.00 0.00 C ATOM 1828 OE1 GLU A 111 12.920 8.787 -4.601 1.00 0.00 O ATOM 1829 OE2 GLU A 111 11.789 6.788 -4.479 1.00 0.00 O ATOM 0 H GLU A 111 14.776 3.271 -5.776 1.00 0.00 H new ATOM 0 HA GLU A 111 12.813 5.391 -6.530 1.00 0.00 H new ATOM 0 HB2 GLU A 111 15.713 5.860 -5.770 1.00 0.00 H new ATOM 0 HB3 GLU A 111 14.687 7.021 -6.587 1.00 0.00 H new ATOM 0 HG2 GLU A 111 14.041 5.879 -3.846 1.00 0.00 H new ATOM 0 HG3 GLU A 111 14.993 7.333 -4.076 1.00 0.00 H new ATOM 1837 N GLY A 112 13.275 4.156 -8.705 1.00 0.00 N ATOM 1838 CA GLY A 112 13.522 3.588 -10.060 1.00 0.00 C ATOM 1839 C GLY A 112 14.207 2.203 -10.039 1.00 0.00 C ATOM 1840 O GLY A 112 13.627 1.229 -9.556 1.00 0.00 O ATOM 0 H GLY A 112 12.293 4.149 -8.429 1.00 0.00 H new ATOM 0 HA2 GLY A 112 12.572 3.505 -10.588 1.00 0.00 H new ATOM 0 HA3 GLY A 112 14.143 4.282 -10.627 1.00 0.00 H new ATOM 1844 N ASP A 113 15.459 2.138 -10.515 1.00 0.00 N ATOM 1845 CA ASP A 113 16.364 0.976 -10.247 1.00 0.00 C ATOM 1846 C ASP A 113 17.306 1.086 -8.992 1.00 0.00 C ATOM 1847 O ASP A 113 18.163 0.216 -8.814 1.00 0.00 O ATOM 1848 CB ASP A 113 17.140 0.641 -11.553 1.00 0.00 C ATOM 1849 CG ASP A 113 18.160 1.655 -12.091 1.00 0.00 C ATOM 1850 OD1 ASP A 113 18.468 2.705 -11.533 1.00 0.00 O ATOM 1851 OD2 ASP A 113 18.693 1.250 -13.276 1.00 0.00 O ATOM 0 H ASP A 113 15.881 2.868 -11.088 1.00 0.00 H new ATOM 0 HA ASP A 113 15.717 0.148 -9.957 1.00 0.00 H new ATOM 0 HB2 ASP A 113 17.665 -0.301 -11.392 1.00 0.00 H new ATOM 0 HB3 ASP A 113 16.404 0.466 -12.338 1.00 0.00 H new ATOM 1857 N GLU A 114 17.179 2.113 -8.129 1.00 0.00 N ATOM 1858 CA GLU A 114 18.103 2.337 -6.986 1.00 0.00 C ATOM 1859 C GLU A 114 17.442 2.015 -5.612 1.00 0.00 C ATOM 1860 O GLU A 114 16.250 2.244 -5.406 1.00 0.00 O ATOM 1861 CB GLU A 114 18.615 3.801 -7.032 1.00 0.00 C ATOM 1862 CG GLU A 114 19.575 4.123 -8.207 1.00 0.00 C ATOM 1863 CD GLU A 114 20.020 5.580 -8.239 1.00 0.00 C ATOM 1864 OE1 GLU A 114 21.137 5.957 -7.900 1.00 0.00 O ATOM 1865 OE2 GLU A 114 19.022 6.405 -8.675 1.00 0.00 O ATOM 0 H GLU A 114 16.438 2.811 -8.199 1.00 0.00 H new ATOM 0 HA GLU A 114 18.943 1.649 -7.084 1.00 0.00 H new ATOM 0 HB2 GLU A 114 17.756 4.469 -7.091 1.00 0.00 H new ATOM 0 HB3 GLU A 114 19.126 4.021 -6.095 1.00 0.00 H new ATOM 0 HG2 GLU A 114 20.454 3.483 -8.134 1.00 0.00 H new ATOM 0 HG3 GLU A 114 19.081 3.880 -9.148 1.00 0.00 H new ATOM 1873 N LEU A 115 18.248 1.519 -4.663 1.00 0.00 N ATOM 1874 CA LEU A 115 17.848 1.376 -3.234 1.00 0.00 C ATOM 1875 C LEU A 115 18.611 2.449 -2.395 1.00 0.00 C ATOM 1876 O LEU A 115 19.845 2.477 -2.347 1.00 0.00 O ATOM 1877 CB LEU A 115 18.137 -0.090 -2.819 1.00 0.00 C ATOM 1878 CG LEU A 115 17.848 -0.514 -1.357 1.00 0.00 C ATOM 1879 CD1 LEU A 115 16.353 -0.816 -1.150 1.00 0.00 C ATOM 1880 CD2 LEU A 115 18.678 -1.760 -1.009 1.00 0.00 C ATOM 0 H LEU A 115 19.199 1.202 -4.853 1.00 0.00 H new ATOM 0 HA LEU A 115 16.787 1.558 -3.061 1.00 0.00 H new ATOM 0 HB2 LEU A 115 17.557 -0.741 -3.474 1.00 0.00 H new ATOM 0 HB3 LEU A 115 19.189 -0.291 -3.021 1.00 0.00 H new ATOM 0 HG LEU A 115 18.124 0.312 -0.701 1.00 0.00 H new ATOM 0 HD11 LEU A 115 16.181 -1.111 -0.115 1.00 0.00 H new ATOM 0 HD12 LEU A 115 15.767 0.075 -1.376 1.00 0.00 H new ATOM 0 HD13 LEU A 115 16.050 -1.627 -1.813 1.00 0.00 H new ATOM 0 HD21 LEU A 115 18.474 -2.057 0.020 1.00 0.00 H new ATOM 0 HD22 LEU A 115 18.411 -2.575 -1.682 1.00 0.00 H new ATOM 0 HD23 LEU A 115 19.739 -1.533 -1.117 1.00 0.00 H new ATOM 1892 N HIS A 116 17.864 3.345 -1.743 1.00 0.00 N ATOM 1893 CA HIS A 116 18.427 4.483 -0.972 1.00 0.00 C ATOM 1894 C HIS A 116 18.278 4.193 0.553 1.00 0.00 C ATOM 1895 O HIS A 116 17.176 3.933 1.049 1.00 0.00 O ATOM 1896 CB HIS A 116 17.689 5.782 -1.398 1.00 0.00 C ATOM 1897 CG HIS A 116 18.131 6.402 -2.730 1.00 0.00 C ATOM 1898 ND1 HIS A 116 17.939 5.816 -3.976 1.00 0.00 N ATOM 1899 CD2 HIS A 116 18.756 7.653 -2.866 1.00 0.00 C ATOM 1900 CE1 HIS A 116 18.497 6.787 -4.766 1.00 0.00 C ATOM 1901 NE2 HIS A 116 19.009 7.922 -4.199 1.00 0.00 N ATOM 0 H HIS A 116 16.845 3.310 -1.729 1.00 0.00 H new ATOM 0 HA HIS A 116 19.489 4.613 -1.179 1.00 0.00 H new ATOM 0 HB2 HIS A 116 16.622 5.567 -1.457 1.00 0.00 H new ATOM 0 HB3 HIS A 116 17.822 6.526 -0.612 1.00 0.00 H new ATOM 0 HD2 HIS A 116 19.004 8.311 -2.046 1.00 0.00 H new ATOM 0 HE1 HIS A 116 18.533 6.656 -5.837 1.00 0.00 H new ATOM 0 HE2 HIS A 116 19.450 8.733 -4.634 1.00 0.00 H new ATOM 1909 N LEU A 117 19.401 4.231 1.285 1.00 0.00 N ATOM 1910 CA LEU A 117 19.453 3.915 2.735 1.00 0.00 C ATOM 1911 C LEU A 117 19.986 5.151 3.525 1.00 0.00 C ATOM 1912 O LEU A 117 21.059 5.682 3.216 1.00 0.00 O ATOM 1913 CB LEU A 117 20.382 2.677 2.893 1.00 0.00 C ATOM 1914 CG LEU A 117 20.563 2.130 4.335 1.00 0.00 C ATOM 1915 CD1 LEU A 117 19.344 1.331 4.814 1.00 0.00 C ATOM 1916 CD2 LEU A 117 21.834 1.274 4.426 1.00 0.00 C ATOM 0 H LEU A 117 20.308 4.482 0.893 1.00 0.00 H new ATOM 0 HA LEU A 117 18.466 3.687 3.138 1.00 0.00 H new ATOM 0 HB2 LEU A 117 19.990 1.874 2.269 1.00 0.00 H new ATOM 0 HB3 LEU A 117 21.365 2.935 2.499 1.00 0.00 H new ATOM 0 HG LEU A 117 20.662 2.991 4.996 1.00 0.00 H new ATOM 0 HD11 LEU A 117 19.521 0.970 5.827 1.00 0.00 H new ATOM 0 HD12 LEU A 117 18.463 1.972 4.805 1.00 0.00 H new ATOM 0 HD13 LEU A 117 19.182 0.482 4.150 1.00 0.00 H new ATOM 0 HD21 LEU A 117 21.947 0.898 5.443 1.00 0.00 H new ATOM 0 HD22 LEU A 117 21.758 0.435 3.735 1.00 0.00 H new ATOM 0 HD23 LEU A 117 22.701 1.881 4.165 1.00 0.00 H new ATOM 1928 N GLU A 118 19.284 5.556 4.595 1.00 0.00 N ATOM 1929 CA GLU A 118 19.828 6.525 5.591 1.00 0.00 C ATOM 1930 C GLU A 118 19.922 5.840 6.986 1.00 0.00 C ATOM 1931 O GLU A 118 18.893 5.491 7.570 1.00 0.00 O ATOM 1932 CB GLU A 118 18.962 7.811 5.646 1.00 0.00 C ATOM 1933 CG GLU A 118 19.047 8.701 4.385 1.00 0.00 C ATOM 1934 CD GLU A 118 18.273 10.008 4.520 1.00 0.00 C ATOM 1935 OE1 GLU A 118 17.098 10.146 4.196 1.00 0.00 O ATOM 1936 OE2 GLU A 118 19.032 11.007 5.050 1.00 0.00 O ATOM 0 H GLU A 118 18.339 5.235 4.803 1.00 0.00 H new ATOM 0 HA GLU A 118 20.829 6.827 5.284 1.00 0.00 H new ATOM 0 HB2 GLU A 118 17.922 7.526 5.803 1.00 0.00 H new ATOM 0 HB3 GLU A 118 19.265 8.400 6.511 1.00 0.00 H new ATOM 0 HG2 GLU A 118 20.093 8.925 4.176 1.00 0.00 H new ATOM 0 HG3 GLU A 118 18.663 8.145 3.529 1.00 0.00 H new ATOM 1944 N MET A 119 21.145 5.650 7.516 1.00 0.00 N ATOM 1945 CA MET A 119 21.376 4.972 8.826 1.00 0.00 C ATOM 1946 C MET A 119 21.785 6.001 9.920 1.00 0.00 C ATOM 1947 O MET A 119 22.759 6.737 9.752 1.00 0.00 O ATOM 1948 CB MET A 119 22.462 3.869 8.717 1.00 0.00 C ATOM 1949 CG MET A 119 22.267 2.773 7.653 1.00 0.00 C ATOM 1950 SD MET A 119 23.548 1.511 7.800 1.00 0.00 S ATOM 1951 CE MET A 119 24.951 2.379 7.077 1.00 0.00 C ATOM 0 H MET A 119 22.003 5.957 7.058 1.00 0.00 H new ATOM 0 HA MET A 119 20.435 4.501 9.111 1.00 0.00 H new ATOM 0 HB2 MET A 119 23.417 4.357 8.524 1.00 0.00 H new ATOM 0 HB3 MET A 119 22.544 3.382 9.689 1.00 0.00 H new ATOM 0 HG2 MET A 119 21.284 2.316 7.769 1.00 0.00 H new ATOM 0 HG3 MET A 119 22.297 3.216 6.657 1.00 0.00 H new ATOM 0 HE1 MET A 119 25.713 1.657 6.782 1.00 0.00 H new ATOM 0 HE2 MET A 119 24.621 2.937 6.201 1.00 0.00 H new ATOM 0 HE3 MET A 119 25.369 3.069 7.810 1.00 0.00 H new ATOM 1961 N ARG A 120 21.060 6.039 11.045 1.00 0.00 N ATOM 1962 CA ARG A 120 21.291 7.028 12.137 1.00 0.00 C ATOM 1963 C ARG A 120 21.846 6.360 13.433 1.00 0.00 C ATOM 1964 O ARG A 120 21.396 5.279 13.826 1.00 0.00 O ATOM 1965 CB ARG A 120 19.946 7.735 12.449 1.00 0.00 C ATOM 1966 CG ARG A 120 19.458 8.737 11.374 1.00 0.00 C ATOM 1967 CD ARG A 120 18.106 9.418 11.681 1.00 0.00 C ATOM 1968 NE ARG A 120 18.080 10.174 12.967 1.00 0.00 N ATOM 1969 CZ ARG A 120 18.587 11.389 13.166 1.00 0.00 C ATOM 1970 NH1 ARG A 120 19.199 12.102 12.246 1.00 0.00 N ATOM 1971 NH2 ARG A 120 18.468 11.905 14.358 1.00 0.00 N ATOM 0 H ARG A 120 20.295 5.392 11.236 1.00 0.00 H new ATOM 0 HA ARG A 120 22.041 7.743 11.800 1.00 0.00 H new ATOM 0 HB2 ARG A 120 19.178 6.974 12.587 1.00 0.00 H new ATOM 0 HB3 ARG A 120 20.044 8.264 13.397 1.00 0.00 H new ATOM 0 HG2 ARG A 120 20.216 9.510 11.248 1.00 0.00 H new ATOM 0 HG3 ARG A 120 19.376 8.213 10.422 1.00 0.00 H new ATOM 0 HD2 ARG A 120 17.862 10.100 10.867 1.00 0.00 H new ATOM 0 HD3 ARG A 120 17.326 8.657 11.704 1.00 0.00 H new ATOM 0 HE ARG A 120 17.634 9.720 13.764 1.00 0.00 H new ATOM 0 HH11 ARG A 120 19.311 11.730 11.303 1.00 0.00 H new ATOM 0 HH12 ARG A 120 19.562 13.027 12.475 1.00 0.00 H new ATOM 0 HH21 ARG A 120 18.000 11.380 15.097 1.00 0.00 H new ATOM 0 HH22 ARG A 120 18.843 12.834 14.552 1.00 0.00 H new ATOM 1985 N ALA A 121 22.790 7.032 14.118 1.00 0.00 N ATOM 1986 CA ALA A 121 23.219 6.663 15.498 1.00 0.00 C ATOM 1987 C ALA A 121 23.903 7.853 16.230 1.00 0.00 C ATOM 1988 O ALA A 121 24.733 8.557 15.648 1.00 0.00 O ATOM 1989 CB ALA A 121 24.165 5.456 15.470 1.00 0.00 C ATOM 0 H ALA A 121 23.280 7.843 13.741 1.00 0.00 H new ATOM 0 HA ALA A 121 22.318 6.399 16.052 1.00 0.00 H new ATOM 0 HB1 ALA A 121 24.465 5.205 16.487 1.00 0.00 H new ATOM 0 HB2 ALA A 121 23.654 4.604 15.021 1.00 0.00 H new ATOM 0 HB3 ALA A 121 25.049 5.700 14.881 1.00 0.00 H new ATOM 1995 N GLU A 122 23.552 8.103 17.509 1.00 0.00 N ATOM 1996 CA GLU A 122 23.973 9.335 18.266 1.00 0.00 C ATOM 1997 C GLU A 122 23.500 10.720 17.656 1.00 0.00 C ATOM 1998 O GLU A 122 24.121 11.756 17.907 1.00 0.00 O ATOM 1999 CB GLU A 122 25.508 9.338 18.571 1.00 0.00 C ATOM 2000 CG GLU A 122 26.172 8.063 19.156 1.00 0.00 C ATOM 2001 CD GLU A 122 26.299 7.917 20.665 1.00 0.00 C ATOM 2002 OE1 GLU A 122 25.668 8.579 21.488 1.00 0.00 O ATOM 2003 OE2 GLU A 122 27.214 6.954 20.987 1.00 0.00 O ATOM 0 H GLU A 122 22.971 7.469 18.058 1.00 0.00 H new ATOM 0 HA GLU A 122 23.426 9.257 19.206 1.00 0.00 H new ATOM 0 HB2 GLU A 122 26.025 9.579 17.642 1.00 0.00 H new ATOM 0 HB3 GLU A 122 25.702 10.155 19.265 1.00 0.00 H new ATOM 0 HG2 GLU A 122 25.611 7.203 18.790 1.00 0.00 H new ATOM 0 HG3 GLU A 122 27.175 7.992 18.734 1.00 0.00 H new ATOM 2011 N GLY A 123 22.439 10.746 16.822 1.00 0.00 N ATOM 2012 CA GLY A 123 22.204 11.865 15.860 1.00 0.00 C ATOM 2013 C GLY A 123 22.944 11.859 14.487 1.00 0.00 C ATOM 2014 O GLY A 123 22.593 12.661 13.620 1.00 0.00 O ATOM 0 H GLY A 123 21.730 10.013 16.788 1.00 0.00 H new ATOM 0 HA2 GLY A 123 21.134 11.902 15.655 1.00 0.00 H new ATOM 0 HA3 GLY A 123 22.464 12.794 16.368 1.00 0.00 H new ATOM 2018 N VAL A 124 23.961 11.006 14.275 1.00 0.00 N ATOM 2019 CA VAL A 124 24.845 11.039 13.072 1.00 0.00 C ATOM 2020 C VAL A 124 24.233 10.152 11.940 1.00 0.00 C ATOM 2021 O VAL A 124 24.026 8.951 12.132 1.00 0.00 O ATOM 2022 CB VAL A 124 26.292 10.568 13.456 1.00 0.00 C ATOM 2023 CG1 VAL A 124 27.254 10.529 12.250 1.00 0.00 C ATOM 2024 CG2 VAL A 124 26.977 11.420 14.553 1.00 0.00 C ATOM 0 H VAL A 124 24.204 10.265 14.932 1.00 0.00 H new ATOM 0 HA VAL A 124 24.916 12.060 12.698 1.00 0.00 H new ATOM 0 HB VAL A 124 26.117 9.564 13.843 1.00 0.00 H new ATOM 0 HG11 VAL A 124 28.238 10.196 12.580 1.00 0.00 H new ATOM 0 HG12 VAL A 124 26.869 9.838 11.500 1.00 0.00 H new ATOM 0 HG13 VAL A 124 27.335 11.526 11.817 1.00 0.00 H new ATOM 0 HG21 VAL A 124 27.972 11.022 14.754 1.00 0.00 H new ATOM 0 HG22 VAL A 124 27.061 12.452 14.213 1.00 0.00 H new ATOM 0 HG23 VAL A 124 26.381 11.386 15.465 1.00 0.00 H new ATOM 2034 N THR A 125 24.001 10.742 10.754 1.00 0.00 N ATOM 2035 CA THR A 125 23.384 10.025 9.597 1.00 0.00 C ATOM 2036 C THR A 125 24.453 9.585 8.538 1.00 0.00 C ATOM 2037 O THR A 125 25.129 10.424 7.934 1.00 0.00 O ATOM 2038 CB THR A 125 22.261 10.906 8.966 1.00 0.00 C ATOM 2039 OG1 THR A 125 21.355 11.364 9.966 1.00 0.00 O ATOM 2040 CG2 THR A 125 21.390 10.157 7.943 1.00 0.00 C ATOM 0 H THR A 125 24.229 11.717 10.560 1.00 0.00 H new ATOM 0 HA THR A 125 22.932 9.104 9.966 1.00 0.00 H new ATOM 0 HB THR A 125 22.798 11.718 8.475 1.00 0.00 H new ATOM 0 HG1 THR A 125 20.660 11.916 9.550 1.00 0.00 H new ATOM 0 HG21 THR A 125 20.632 10.832 7.547 1.00 0.00 H new ATOM 0 HG22 THR A 125 22.016 9.796 7.127 1.00 0.00 H new ATOM 0 HG23 THR A 125 20.904 9.311 8.429 1.00 0.00 H new ATOM 2048 N CYS A 126 24.547 8.271 8.271 1.00 0.00 N ATOM 2049 CA CYS A 126 25.222 7.723 7.064 1.00 0.00 C ATOM 2050 C CYS A 126 24.227 7.554 5.875 1.00 0.00 C ATOM 2051 O CYS A 126 23.193 6.891 5.999 1.00 0.00 O ATOM 2052 CB CYS A 126 25.856 6.374 7.454 1.00 0.00 C ATOM 2053 SG CYS A 126 26.450 5.446 5.997 1.00 0.00 S ATOM 0 H CYS A 126 24.159 7.552 8.882 1.00 0.00 H new ATOM 0 HA CYS A 126 25.990 8.418 6.723 1.00 0.00 H new ATOM 0 HB2 CYS A 126 26.688 6.549 8.136 1.00 0.00 H new ATOM 0 HB3 CYS A 126 25.124 5.772 7.993 1.00 0.00 H new ATOM 0 HG CYS A 126 27.275 4.517 6.381 1.00 0.00 H new ATOM 2059 N LYS A 127 24.558 8.140 4.716 1.00 0.00 N ATOM 2060 CA LYS A 127 23.682 8.120 3.510 1.00 0.00 C ATOM 2061 C LYS A 127 24.310 7.164 2.450 1.00 0.00 C ATOM 2062 O LYS A 127 25.402 7.422 1.932 1.00 0.00 O ATOM 2063 CB LYS A 127 23.513 9.570 2.974 1.00 0.00 C ATOM 2064 CG LYS A 127 22.852 10.577 3.950 1.00 0.00 C ATOM 2065 CD LYS A 127 22.708 11.986 3.348 1.00 0.00 C ATOM 2066 CE LYS A 127 22.147 12.989 4.368 1.00 0.00 C ATOM 2067 NZ LYS A 127 22.087 14.337 3.770 1.00 0.00 N ATOM 0 H LYS A 127 25.435 8.642 4.576 1.00 0.00 H new ATOM 0 HA LYS A 127 22.688 7.745 3.753 1.00 0.00 H new ATOM 0 HB2 LYS A 127 24.496 9.952 2.698 1.00 0.00 H new ATOM 0 HB3 LYS A 127 22.918 9.533 2.062 1.00 0.00 H new ATOM 0 HG2 LYS A 127 21.867 10.206 4.235 1.00 0.00 H new ATOM 0 HG3 LYS A 127 23.447 10.636 4.862 1.00 0.00 H new ATOM 0 HD2 LYS A 127 23.680 12.331 2.996 1.00 0.00 H new ATOM 0 HD3 LYS A 127 22.050 11.945 2.480 1.00 0.00 H new ATOM 0 HE2 LYS A 127 21.152 12.679 4.686 1.00 0.00 H new ATOM 0 HE3 LYS A 127 22.776 13.005 5.258 1.00 0.00 H new ATOM 0 HZ1 LYS A 127 21.707 15.009 4.466 1.00 0.00 H new ATOM 0 HZ2 LYS A 127 23.043 14.635 3.488 1.00 0.00 H new ATOM 0 HZ3 LYS A 127 21.469 14.319 2.933 1.00 0.00 H new ATOM 2080 N GLN A 128 23.641 6.039 2.150 1.00 0.00 N ATOM 2081 CA GLN A 128 24.187 4.991 1.243 1.00 0.00 C ATOM 2082 C GLN A 128 23.239 4.757 0.032 1.00 0.00 C ATOM 2083 O GLN A 128 22.041 4.499 0.197 1.00 0.00 O ATOM 2084 CB GLN A 128 24.459 3.676 2.020 1.00 0.00 C ATOM 2085 CG GLN A 128 25.516 3.790 3.150 1.00 0.00 C ATOM 2086 CD GLN A 128 26.270 2.525 3.577 1.00 0.00 C ATOM 2087 OE1 GLN A 128 27.488 2.521 3.705 1.00 0.00 O ATOM 2088 NE2 GLN A 128 25.610 1.421 3.836 1.00 0.00 N ATOM 0 H GLN A 128 22.715 5.822 2.520 1.00 0.00 H new ATOM 0 HA GLN A 128 25.141 5.342 0.848 1.00 0.00 H new ATOM 0 HB2 GLN A 128 23.522 3.327 2.453 1.00 0.00 H new ATOM 0 HB3 GLN A 128 24.786 2.914 1.312 1.00 0.00 H new ATOM 0 HG2 GLN A 128 26.256 4.528 2.839 1.00 0.00 H new ATOM 0 HG3 GLN A 128 25.017 4.192 4.032 1.00 0.00 H new ATOM 0 HE21 GLN A 128 24.595 1.398 3.737 1.00 0.00 H new ATOM 0 HE22 GLN A 128 26.112 0.585 4.136 1.00 0.00 H new ATOM 2097 N VAL A 129 23.791 4.838 -1.189 1.00 0.00 N ATOM 2098 CA VAL A 129 23.004 4.657 -2.449 1.00 0.00 C ATOM 2099 C VAL A 129 23.450 3.317 -3.114 1.00 0.00 C ATOM 2100 O VAL A 129 24.643 3.042 -3.277 1.00 0.00 O ATOM 2101 CB VAL A 129 23.131 5.889 -3.414 1.00 0.00 C ATOM 2102 CG1 VAL A 129 22.308 5.723 -4.716 1.00 0.00 C ATOM 2103 CG2 VAL A 129 22.670 7.225 -2.782 1.00 0.00 C ATOM 0 H VAL A 129 24.781 5.028 -1.345 1.00 0.00 H new ATOM 0 HA VAL A 129 21.941 4.601 -2.212 1.00 0.00 H new ATOM 0 HB VAL A 129 24.199 5.923 -3.628 1.00 0.00 H new ATOM 0 HG11 VAL A 129 22.436 6.606 -5.342 1.00 0.00 H new ATOM 0 HG12 VAL A 129 22.655 4.842 -5.256 1.00 0.00 H new ATOM 0 HG13 VAL A 129 21.253 5.604 -4.467 1.00 0.00 H new ATOM 0 HG21 VAL A 129 22.787 8.030 -3.507 1.00 0.00 H new ATOM 0 HG22 VAL A 129 21.622 7.148 -2.491 1.00 0.00 H new ATOM 0 HG23 VAL A 129 23.276 7.439 -1.902 1.00 0.00 H new ATOM 2113 N PHE A 130 22.466 2.508 -3.524 1.00 0.00 N ATOM 2114 CA PHE A 130 22.682 1.193 -4.181 1.00 0.00 C ATOM 2115 C PHE A 130 21.943 1.130 -5.557 1.00 0.00 C ATOM 2116 O PHE A 130 20.898 1.758 -5.734 1.00 0.00 O ATOM 2117 CB PHE A 130 22.128 0.088 -3.238 1.00 0.00 C ATOM 2118 CG PHE A 130 22.970 -0.296 -2.016 1.00 0.00 C ATOM 2119 CD1 PHE A 130 22.961 0.490 -0.859 1.00 0.00 C ATOM 2120 CD2 PHE A 130 23.696 -1.488 -2.030 1.00 0.00 C ATOM 2121 CE1 PHE A 130 23.687 0.095 0.261 1.00 0.00 C ATOM 2122 CE2 PHE A 130 24.417 -1.885 -0.910 1.00 0.00 C ATOM 2123 CZ PHE A 130 24.416 -1.093 0.234 1.00 0.00 C ATOM 0 H PHE A 130 21.480 2.743 -3.412 1.00 0.00 H new ATOM 0 HA PHE A 130 23.746 1.047 -4.365 1.00 0.00 H new ATOM 0 HB2 PHE A 130 21.149 0.411 -2.883 1.00 0.00 H new ATOM 0 HB3 PHE A 130 21.971 -0.812 -3.833 1.00 0.00 H new ATOM 0 HD1 PHE A 130 22.389 1.406 -0.835 1.00 0.00 H new ATOM 0 HD2 PHE A 130 23.698 -2.105 -2.916 1.00 0.00 H new ATOM 0 HE1 PHE A 130 23.686 0.708 1.150 1.00 0.00 H new ATOM 0 HE2 PHE A 130 24.978 -2.808 -0.928 1.00 0.00 H new ATOM 0 HZ PHE A 130 24.981 -1.399 1.102 1.00 0.00 H new ATOM 2133 N LYS A 131 22.440 0.318 -6.509 1.00 0.00 N ATOM 2134 CA LYS A 131 21.762 0.071 -7.817 1.00 0.00 C ATOM 2135 C LYS A 131 21.423 -1.443 -8.022 1.00 0.00 C ATOM 2136 O LYS A 131 22.235 -2.326 -7.723 1.00 0.00 O ATOM 2137 CB LYS A 131 22.667 0.639 -8.941 1.00 0.00 C ATOM 2138 CG LYS A 131 21.936 0.846 -10.286 1.00 0.00 C ATOM 2139 CD LYS A 131 22.830 1.488 -11.362 1.00 0.00 C ATOM 2140 CE LYS A 131 22.035 1.770 -12.646 1.00 0.00 C ATOM 2141 NZ LYS A 131 22.912 2.349 -13.678 1.00 0.00 N ATOM 0 H LYS A 131 23.319 -0.188 -6.404 1.00 0.00 H new ATOM 0 HA LYS A 131 20.800 0.582 -7.840 1.00 0.00 H new ATOM 0 HB2 LYS A 131 23.082 1.592 -8.613 1.00 0.00 H new ATOM 0 HB3 LYS A 131 23.507 -0.038 -9.095 1.00 0.00 H new ATOM 0 HG2 LYS A 131 21.574 -0.116 -10.649 1.00 0.00 H new ATOM 0 HG3 LYS A 131 21.061 1.476 -10.125 1.00 0.00 H new ATOM 0 HD2 LYS A 131 23.253 2.418 -10.981 1.00 0.00 H new ATOM 0 HD3 LYS A 131 23.666 0.826 -11.587 1.00 0.00 H new ATOM 0 HE2 LYS A 131 21.589 0.846 -13.015 1.00 0.00 H new ATOM 0 HE3 LYS A 131 21.215 2.455 -12.430 1.00 0.00 H new ATOM 0 HZ1 LYS A 131 22.359 2.534 -14.539 1.00 0.00 H new ATOM 0 HZ2 LYS A 131 23.317 3.241 -13.329 1.00 0.00 H new ATOM 0 HZ3 LYS A 131 23.680 1.682 -13.896 1.00 0.00 H new ATOM 2154 N LYS A 132 20.230 -1.742 -8.571 1.00 0.00 N ATOM 2155 CA LYS A 132 19.774 -3.136 -8.828 1.00 0.00 C ATOM 2156 C LYS A 132 20.513 -3.802 -10.031 1.00 0.00 C ATOM 2157 O LYS A 132 20.429 -3.326 -11.167 1.00 0.00 O ATOM 2158 CB LYS A 132 18.240 -3.113 -9.077 1.00 0.00 C ATOM 2159 CG LYS A 132 17.528 -4.459 -8.811 1.00 0.00 C ATOM 2160 CD LYS A 132 16.005 -4.358 -9.017 1.00 0.00 C ATOM 2161 CE LYS A 132 15.277 -5.650 -8.620 1.00 0.00 C ATOM 2162 NZ LYS A 132 13.824 -5.490 -8.818 1.00 0.00 N ATOM 0 H LYS A 132 19.552 -1.033 -8.850 1.00 0.00 H new ATOM 0 HA LYS A 132 20.013 -3.741 -7.953 1.00 0.00 H new ATOM 0 HB2 LYS A 132 17.793 -2.348 -8.442 1.00 0.00 H new ATOM 0 HB3 LYS A 132 18.057 -2.817 -10.110 1.00 0.00 H new ATOM 0 HG2 LYS A 132 17.934 -5.221 -9.476 1.00 0.00 H new ATOM 0 HG3 LYS A 132 17.735 -4.783 -7.791 1.00 0.00 H new ATOM 0 HD2 LYS A 132 15.615 -3.528 -8.428 1.00 0.00 H new ATOM 0 HD3 LYS A 132 15.796 -4.132 -10.063 1.00 0.00 H new ATOM 0 HE2 LYS A 132 15.645 -6.483 -9.219 1.00 0.00 H new ATOM 0 HE3 LYS A 132 15.486 -5.890 -7.578 1.00 0.00 H new ATOM 0 HZ1 LYS A 132 13.338 -6.369 -8.547 1.00 0.00 H new ATOM 0 HZ2 LYS A 132 13.477 -4.707 -8.228 1.00 0.00 H new ATOM 0 HZ3 LYS A 132 13.631 -5.282 -9.818 1.00 0.00 H new ATOM 2175 N VAL A 133 21.204 -4.921 -9.771 1.00 0.00 N ATOM 2176 CA VAL A 133 21.852 -5.750 -10.840 1.00 0.00 C ATOM 2177 C VAL A 133 21.091 -7.088 -11.135 1.00 0.00 C ATOM 2178 O VAL A 133 20.958 -7.449 -12.307 1.00 0.00 O ATOM 2179 CB VAL A 133 23.396 -5.913 -10.628 1.00 0.00 C ATOM 2180 CG1 VAL A 133 24.143 -4.560 -10.662 1.00 0.00 C ATOM 2181 CG2 VAL A 133 23.822 -6.660 -9.349 1.00 0.00 C ATOM 0 H VAL A 133 21.338 -5.288 -8.829 1.00 0.00 H new ATOM 0 HA VAL A 133 21.757 -5.182 -11.765 1.00 0.00 H new ATOM 0 HB VAL A 133 23.680 -6.536 -11.476 1.00 0.00 H new ATOM 0 HG11 VAL A 133 25.209 -4.729 -10.510 1.00 0.00 H new ATOM 0 HG12 VAL A 133 23.985 -4.082 -11.629 1.00 0.00 H new ATOM 0 HG13 VAL A 133 23.762 -3.914 -9.871 1.00 0.00 H new ATOM 0 HG21 VAL A 133 24.910 -6.714 -9.305 1.00 0.00 H new ATOM 0 HG22 VAL A 133 23.449 -6.126 -8.475 1.00 0.00 H new ATOM 0 HG23 VAL A 133 23.408 -7.668 -9.362 1.00 0.00 H new ATOM 2191 N HIS A 134 20.570 -7.807 -10.117 1.00 0.00 N ATOM 2192 CA HIS A 134 19.585 -8.901 -10.322 1.00 0.00 C ATOM 2193 C HIS A 134 18.182 -8.368 -9.934 1.00 0.00 C ATOM 2194 O HIS A 134 17.326 -8.228 -10.835 1.00 0.00 O ATOM 2195 CB HIS A 134 20.046 -10.140 -9.512 1.00 0.00 C ATOM 2196 CG HIS A 134 19.223 -11.406 -9.735 1.00 0.00 C ATOM 2197 ND1 HIS A 134 19.511 -12.355 -10.692 1.00 0.00 N ATOM 2198 CD2 HIS A 134 18.079 -11.788 -9.012 1.00 0.00 C ATOM 2199 CE1 HIS A 134 18.493 -13.243 -10.462 1.00 0.00 C ATOM 2200 NE2 HIS A 134 17.575 -12.995 -9.473 1.00 0.00 N ATOM 2201 OXT HIS A 134 17.932 -8.093 -8.738 1.00 0.00 O ATOM 0 H HIS A 134 20.814 -7.651 -9.139 1.00 0.00 H new ATOM 0 HA HIS A 134 19.522 -9.222 -11.362 1.00 0.00 H new ATOM 0 HB2 HIS A 134 21.085 -10.352 -9.764 1.00 0.00 H new ATOM 0 HB3 HIS A 134 20.019 -9.891 -8.451 1.00 0.00 H new ATOM 0 HD2 HIS A 134 17.649 -11.216 -8.203 1.00 0.00 H new ATOM 0 HE1 HIS A 134 18.413 -14.139 -11.060 1.00 0.00 H new ATOM 0 HE2 HIS A 134 16.765 -13.536 -9.168 1.00 0.00 H new TER 2209 HIS A 134