USER MOD reduce.3.24.130724 H: found=0, std=0, add=834, rem=0, adj=40 USER MOD reduce.3.24.130724 removed 832 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 70 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 88 LYS NZ :NH3+ -126:sc= -0.0268 (180deg=-0.368) USER MOD Set 2.1: A 80 SER OG : rot -57:sc= 0.0207! USER MOD Set 2.2: A 82 ASN : amide:sc= -10.4! C(o=-10!,f=-10!) USER MOD Set 3.1: A 55 THR OG1 : rot -174:sc= -6.11! USER MOD Set 3.2: A 57 GLN : amide:sc= -2.61! C(o=-8.7!,f=-14!) USER MOD Set 4.1: A 11 ASN : amide:sc= 0.422 K(o=0.93,f=-2.8) USER MOD Set 4.2: A 32 ASN : amide:sc= 0.51 K(o=0.93,f=-2.4!) USER MOD Set 5.1: A 5 SER OG : rot 180:sc= -0.461 USER MOD Set 5.2: A 14 HIS : no HD1:sc= -12.9! C(o=-13!,f=-15!) USER MOD Single : A 1 VAL N :NH3+ 155:sc= -0.273 (180deg=-1.59!) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 8 SER OG : rot 180:sc= 0.144 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 15 ASN : amide:sc= -1.33 K(o=-1.3,f=-8.6!) USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 TYR OH : rot 40:sc= -0.763 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 108:sc= 0.248 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0.21 USER MOD Single : A 29 TYR OH : rot 180:sc= -1.75! USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot 51:sc= -5.13! USER MOD Single : A 40 ASN : amide:sc= -0.116 K(o=-0.12,f=-0.8) USER MOD Single : A 41 SER OG : rot 180:sc= -0.205 USER MOD Single : A 46 SER OG : rot 12:sc= 0.455 USER MOD Single : A 51 SER OG : rot 180:sc= -0.0131 USER MOD Single : A 60 LYS NZ :NH3+ 153:sc= -0.0979 (180deg=-0.859) USER MOD Single : A 63 HIS : no HE2:sc= -3.94! C(o=-3.9!,f=-2.9!) USER MOD Single : A 65 THR OG1 : rot 180:sc= -0.0154 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 68 ASN : amide:sc= -0.0414 K(o=-0.041,f=-1.4!) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 79 TYR OH : rot 165:sc= -3.59! USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 84 ASN : amide:sc= -2.37! C(o=-2.4!,f=-2.6!) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 SER OG : rot -58:sc= 0.284 USER MOD Single : A 98 SER OG : rot 49:sc= -1.48 USER MOD Single : A 99 SER OG : rot 180:sc= 0.101 USER MOD Single : A 100 SER OG : rot 180:sc= -2.19! USER MOD Single : A 101 SER OG : rot -131:sc= 0.946 USER MOD Single : A 102 THR OG1 : rot 180:sc= 0 USER MOD Single : A 104 SER OG : rot 180:sc= -1.45! USER MOD Single : A 107 ASN : amide:sc= -8.74! C(o=-8.7!,f=-17!) USER MOD Single : A 108 THR OG1 : rot 180:sc= -1.28! USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 -20.444 4.789 5.600 1.00 0.00 N ATOM 2 CA VAL A 1 -19.392 4.062 6.372 1.00 0.00 C ATOM 3 C VAL A 1 -18.493 5.060 7.105 1.00 0.00 C ATOM 4 O VAL A 1 -17.918 5.947 6.507 1.00 0.00 O ATOM 5 CB VAL A 1 -18.589 3.288 5.326 1.00 0.00 C ATOM 6 CG1 VAL A 1 -18.047 4.259 4.275 1.00 0.00 C ATOM 7 CG2 VAL A 1 -17.420 2.576 6.010 1.00 0.00 C ATOM 0 H1 VAL A 1 -20.764 4.197 4.807 1.00 0.00 H new ATOM 0 H2 VAL A 1 -21.250 4.998 6.223 1.00 0.00 H new ATOM 0 H3 VAL A 1 -20.052 5.679 5.232 1.00 0.00 H new ATOM 0 HA VAL A 1 -19.819 3.401 7.126 1.00 0.00 H new ATOM 0 HB VAL A 1 -19.234 2.554 4.843 1.00 0.00 H new ATOM 0 HG11 VAL A 1 -17.475 3.706 3.530 1.00 0.00 H new ATOM 0 HG12 VAL A 1 -18.878 4.770 3.789 1.00 0.00 H new ATOM 0 HG13 VAL A 1 -17.402 4.993 4.757 1.00 0.00 H new ATOM 0 HG21 VAL A 1 -16.846 2.023 5.267 1.00 0.00 H new ATOM 0 HG22 VAL A 1 -16.777 3.313 6.491 1.00 0.00 H new ATOM 0 HG23 VAL A 1 -17.804 1.884 6.760 1.00 0.00 H new ATOM 19 N LYS A 2 -18.366 4.922 8.396 1.00 0.00 N ATOM 20 CA LYS A 2 -17.502 5.863 9.165 1.00 0.00 C ATOM 21 C LYS A 2 -16.627 5.093 10.154 1.00 0.00 C ATOM 22 O LYS A 2 -17.078 4.645 11.190 1.00 0.00 O ATOM 23 CB LYS A 2 -18.473 6.781 9.909 1.00 0.00 C ATOM 24 CG LYS A 2 -17.692 7.902 10.598 1.00 0.00 C ATOM 25 CD LYS A 2 -18.623 9.090 10.847 1.00 0.00 C ATOM 26 CE LYS A 2 -18.557 10.048 9.656 1.00 0.00 C ATOM 27 NZ LYS A 2 -19.222 11.294 10.128 1.00 0.00 N ATOM 0 H LYS A 2 -18.823 4.199 8.952 1.00 0.00 H new ATOM 0 HA LYS A 2 -16.829 6.424 8.517 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -19.197 7.203 9.212 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -19.037 6.210 10.647 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -17.279 7.546 11.542 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -16.850 8.209 9.977 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -19.646 8.741 10.990 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -18.332 9.608 11.761 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -17.526 10.239 9.359 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -19.067 9.633 8.787 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -19.216 12.001 9.365 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -20.204 11.083 10.397 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -18.711 11.670 10.952 1.00 0.00 H new ATOM 41 N CYS A 3 -15.377 4.943 9.833 1.00 0.00 N ATOM 42 CA CYS A 3 -14.440 4.214 10.727 1.00 0.00 C ATOM 43 C CYS A 3 -14.188 5.013 12.002 1.00 0.00 C ATOM 44 O CYS A 3 -14.330 6.219 12.032 1.00 0.00 O ATOM 45 CB CYS A 3 -13.162 4.105 9.905 1.00 0.00 C ATOM 46 SG CYS A 3 -11.865 3.377 10.918 1.00 0.00 S ATOM 0 H CYS A 3 -14.957 5.300 8.975 1.00 0.00 H new ATOM 0 HA CYS A 3 -14.825 3.244 11.041 1.00 0.00 H new ATOM 0 HB2 CYS A 3 -13.336 3.492 9.020 1.00 0.00 H new ATOM 0 HB3 CYS A 3 -12.856 5.091 9.555 1.00 0.00 H new ATOM 51 N GLN A 4 -13.810 4.349 13.056 1.00 0.00 N ATOM 52 CA GLN A 4 -13.540 5.063 14.333 1.00 0.00 C ATOM 53 C GLN A 4 -12.313 4.461 15.007 1.00 0.00 C ATOM 54 O GLN A 4 -11.670 3.577 14.476 1.00 0.00 O ATOM 55 CB GLN A 4 -14.787 4.847 15.189 1.00 0.00 C ATOM 56 CG GLN A 4 -15.880 5.825 14.750 1.00 0.00 C ATOM 57 CD GLN A 4 -17.113 5.647 15.636 1.00 0.00 C ATOM 58 OE1 GLN A 4 -17.746 4.611 15.617 1.00 0.00 O ATOM 59 NE2 GLN A 4 -17.485 6.623 16.420 1.00 0.00 N ATOM 0 H GLN A 4 -13.676 3.338 13.088 1.00 0.00 H new ATOM 0 HA GLN A 4 -13.339 6.124 14.182 1.00 0.00 H new ATOM 0 HB2 GLN A 4 -15.139 3.821 15.086 1.00 0.00 H new ATOM 0 HB3 GLN A 4 -14.550 4.998 16.242 1.00 0.00 H new ATOM 0 HG2 GLN A 4 -15.515 6.850 14.819 1.00 0.00 H new ATOM 0 HG3 GLN A 4 -16.141 5.650 13.706 1.00 0.00 H new ATOM 0 HE21 GLN A 4 -16.954 7.494 16.437 1.00 0.00 H new ATOM 0 HE22 GLN A 4 -18.306 6.514 17.015 1.00 0.00 H new ATOM 68 N SER A 5 -11.981 4.940 16.166 1.00 0.00 N ATOM 69 CA SER A 5 -10.788 4.403 16.878 1.00 0.00 C ATOM 70 C SER A 5 -10.743 2.876 16.754 1.00 0.00 C ATOM 71 O SER A 5 -11.737 2.206 16.949 1.00 0.00 O ATOM 72 CB SER A 5 -10.972 4.822 18.335 1.00 0.00 C ATOM 73 OG SER A 5 -9.864 5.617 18.739 1.00 0.00 O ATOM 0 H SER A 5 -12.482 5.681 16.655 1.00 0.00 H new ATOM 0 HA SER A 5 -9.853 4.782 16.464 1.00 0.00 H new ATOM 0 HB2 SER A 5 -11.899 5.384 18.449 1.00 0.00 H new ATOM 0 HB3 SER A 5 -11.053 3.941 18.971 1.00 0.00 H new ATOM 0 HG SER A 5 -9.980 5.889 19.673 1.00 0.00 H new ATOM 79 N PRO A 6 -9.582 2.383 16.419 1.00 0.00 N ATOM 80 CA PRO A 6 -9.388 0.919 16.247 1.00 0.00 C ATOM 81 C PRO A 6 -9.454 0.192 17.593 1.00 0.00 C ATOM 82 O PRO A 6 -9.226 0.778 18.628 1.00 0.00 O ATOM 83 CB PRO A 6 -7.984 0.820 15.660 1.00 0.00 C ATOM 84 CG PRO A 6 -7.291 2.059 16.116 1.00 0.00 C ATOM 85 CD PRO A 6 -8.345 3.132 16.169 1.00 0.00 C ATOM 0 HA PRO A 6 -10.155 0.462 15.621 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -7.470 -0.074 16.014 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -8.014 0.761 14.572 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -6.835 1.912 17.095 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -6.490 2.333 15.429 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -8.145 3.853 16.962 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -8.396 3.691 15.235 1.00 0.00 H new ATOM 93 N PRO A 7 -9.755 -1.076 17.524 1.00 0.00 N ATOM 94 CA PRO A 7 -9.837 -1.907 18.748 1.00 0.00 C ATOM 95 C PRO A 7 -8.429 -2.233 19.259 1.00 0.00 C ATOM 96 O PRO A 7 -7.443 -1.953 18.607 1.00 0.00 O ATOM 97 CB PRO A 7 -10.548 -3.171 18.274 1.00 0.00 C ATOM 98 CG PRO A 7 -10.266 -3.252 16.806 1.00 0.00 C ATOM 99 CD PRO A 7 -10.047 -1.845 16.310 1.00 0.00 C ATOM 0 HA PRO A 7 -10.357 -1.415 19.570 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -10.175 -4.052 18.796 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -11.619 -3.116 18.467 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -9.386 -3.867 16.618 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -11.099 -3.719 16.280 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -9.221 -1.797 15.600 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -10.930 -1.461 15.798 1.00 0.00 H new ATOM 107 N SER A 8 -8.328 -2.827 20.416 1.00 0.00 N ATOM 108 CA SER A 8 -6.981 -3.174 20.960 1.00 0.00 C ATOM 109 C SER A 8 -6.367 -4.313 20.145 1.00 0.00 C ATOM 110 O SER A 8 -6.996 -4.868 19.265 1.00 0.00 O ATOM 111 CB SER A 8 -7.237 -3.623 22.399 1.00 0.00 C ATOM 112 OG SER A 8 -8.538 -4.188 22.491 1.00 0.00 O ATOM 0 H SER A 8 -9.117 -3.087 21.008 1.00 0.00 H new ATOM 0 HA SER A 8 -6.286 -2.335 20.914 1.00 0.00 H new ATOM 0 HB2 SER A 8 -6.488 -4.355 22.702 1.00 0.00 H new ATOM 0 HB3 SER A 8 -7.148 -2.775 23.078 1.00 0.00 H new ATOM 0 HG SER A 8 -8.704 -4.478 23.412 1.00 0.00 H new ATOM 118 N ILE A 9 -5.147 -4.673 20.433 1.00 0.00 N ATOM 119 CA ILE A 9 -4.505 -5.786 19.671 1.00 0.00 C ATOM 120 C ILE A 9 -3.697 -6.684 20.581 1.00 0.00 C ATOM 121 O ILE A 9 -3.754 -6.600 21.792 1.00 0.00 O ATOM 122 CB ILE A 9 -3.573 -5.158 18.634 1.00 0.00 C ATOM 123 CG1 ILE A 9 -2.984 -3.835 19.139 1.00 0.00 C ATOM 124 CG2 ILE A 9 -4.350 -4.929 17.351 1.00 0.00 C ATOM 125 CD1 ILE A 9 -1.459 -3.890 19.007 1.00 0.00 C ATOM 0 H ILE A 9 -4.568 -4.249 21.158 1.00 0.00 H new ATOM 0 HA ILE A 9 -5.278 -6.394 19.202 1.00 0.00 H new ATOM 0 HB ILE A 9 -2.741 -5.838 18.451 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -3.383 -3.000 18.563 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -3.267 -3.669 20.178 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -3.695 -4.481 16.604 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -4.727 -5.882 16.979 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -5.187 -4.259 17.547 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -1.029 -2.954 19.363 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -1.072 -4.717 19.602 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -1.189 -4.038 17.961 1.00 0.00 H new ATOM 137 N SER A 10 -2.951 -7.557 19.984 1.00 0.00 N ATOM 138 CA SER A 10 -2.128 -8.495 20.772 1.00 0.00 C ATOM 139 C SER A 10 -1.401 -7.754 21.899 1.00 0.00 C ATOM 140 O SER A 10 -0.358 -7.166 21.696 1.00 0.00 O ATOM 141 CB SER A 10 -1.130 -9.085 19.778 1.00 0.00 C ATOM 142 OG SER A 10 -1.810 -9.973 18.900 1.00 0.00 O ATOM 0 H SER A 10 -2.876 -7.661 18.972 1.00 0.00 H new ATOM 0 HA SER A 10 -2.731 -9.269 21.247 1.00 0.00 H new ATOM 0 HB2 SER A 10 -0.652 -8.288 19.209 1.00 0.00 H new ATOM 0 HB3 SER A 10 -0.340 -9.615 20.310 1.00 0.00 H new ATOM 0 HG SER A 10 -1.172 -10.352 18.260 1.00 0.00 H new ATOM 148 N ASN A 11 -1.944 -7.781 23.085 1.00 0.00 N ATOM 149 CA ASN A 11 -1.283 -7.081 24.226 1.00 0.00 C ATOM 150 C ASN A 11 -0.775 -5.704 23.789 1.00 0.00 C ATOM 151 O ASN A 11 0.349 -5.332 24.065 1.00 0.00 O ATOM 152 CB ASN A 11 -0.109 -7.981 24.613 1.00 0.00 C ATOM 153 CG ASN A 11 -0.424 -8.702 25.925 1.00 0.00 C ATOM 154 OD1 ASN A 11 -0.886 -8.094 26.871 1.00 0.00 O ATOM 155 ND2 ASN A 11 -0.190 -9.982 26.023 1.00 0.00 N ATOM 0 H ASN A 11 -2.816 -8.257 23.315 1.00 0.00 H new ATOM 0 HA ASN A 11 -1.968 -6.916 25.057 1.00 0.00 H new ATOM 0 HB2 ASN A 11 0.080 -8.708 23.823 1.00 0.00 H new ATOM 0 HB3 ASN A 11 0.798 -7.386 24.722 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -0.395 -10.473 26.893 1.00 0.00 H new ATOM 0 HD22 ASN A 11 0.198 -10.492 25.229 1.00 0.00 H new ATOM 162 N GLY A 12 -1.591 -4.943 23.112 1.00 0.00 N ATOM 163 CA GLY A 12 -1.146 -3.591 22.664 1.00 0.00 C ATOM 164 C GLY A 12 -2.358 -2.665 22.535 1.00 0.00 C ATOM 165 O GLY A 12 -3.474 -3.108 22.347 1.00 0.00 O ATOM 0 H GLY A 12 -2.544 -5.197 22.850 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -0.434 -3.177 23.378 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -0.630 -3.666 21.707 1.00 0.00 H new ATOM 169 N ARG A 13 -2.145 -1.381 22.635 1.00 0.00 N ATOM 170 CA ARG A 13 -3.279 -0.418 22.520 1.00 0.00 C ATOM 171 C ARG A 13 -3.260 0.274 21.166 1.00 0.00 C ATOM 172 O ARG A 13 -2.576 -0.129 20.245 1.00 0.00 O ATOM 173 CB ARG A 13 -3.051 0.606 23.630 1.00 0.00 C ATOM 174 CG ARG A 13 -4.255 0.616 24.574 1.00 0.00 C ATOM 175 CD ARG A 13 -4.303 -0.695 25.362 1.00 0.00 C ATOM 176 NE ARG A 13 -5.700 -0.787 25.870 1.00 0.00 N ATOM 177 CZ ARG A 13 -5.926 -1.158 27.101 1.00 0.00 C ATOM 178 NH1 ARG A 13 -5.404 -0.487 28.091 1.00 0.00 N ATOM 179 NH2 ARG A 13 -6.671 -2.202 27.343 1.00 0.00 N ATOM 0 H ARG A 13 -1.231 -0.955 22.792 1.00 0.00 H new ATOM 0 HA ARG A 13 -4.242 -0.920 22.610 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -2.144 0.362 24.183 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -2.905 1.597 23.200 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -4.185 1.461 25.259 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -5.175 0.743 24.004 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -4.057 -1.546 24.727 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -3.584 -0.690 26.182 1.00 0.00 H new ATOM 0 HE ARG A 13 -6.481 -0.560 25.255 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -4.819 0.327 27.903 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -5.581 -0.777 29.053 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -7.077 -2.729 26.570 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -6.847 -2.491 28.305 1.00 0.00 H new ATOM 193 N HIS A 14 -4.019 1.315 21.052 1.00 0.00 N ATOM 194 CA HIS A 14 -4.083 2.068 19.768 1.00 0.00 C ATOM 195 C HIS A 14 -4.424 3.539 20.036 1.00 0.00 C ATOM 196 O HIS A 14 -5.442 3.853 20.621 1.00 0.00 O ATOM 197 CB HIS A 14 -5.192 1.381 18.975 1.00 0.00 C ATOM 198 CG HIS A 14 -6.533 1.817 19.492 1.00 0.00 C ATOM 199 ND1 HIS A 14 -7.211 2.885 18.940 1.00 0.00 N ATOM 200 CD2 HIS A 14 -7.343 1.325 20.483 1.00 0.00 C ATOM 201 CE1 HIS A 14 -8.383 2.999 19.581 1.00 0.00 C ATOM 202 NE2 HIS A 14 -8.517 2.075 20.538 1.00 0.00 N ATOM 0 H HIS A 14 -4.607 1.686 21.798 1.00 0.00 H new ATOM 0 HA HIS A 14 -3.136 2.064 19.228 1.00 0.00 H new ATOM 0 HB2 HIS A 14 -5.102 1.628 17.917 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -5.094 0.299 19.059 1.00 0.00 H new ATOM 0 HD2 HIS A 14 -7.108 0.487 21.122 1.00 0.00 H new ATOM 0 HE1 HIS A 14 -9.128 3.746 19.352 1.00 0.00 H new ATOM 0 HE2 HIS A 14 -9.307 1.947 21.171 1.00 0.00 H new ATOM 210 N ASN A 15 -3.579 4.441 19.618 1.00 0.00 N ATOM 211 CA ASN A 15 -3.856 5.887 19.854 1.00 0.00 C ATOM 212 C ASN A 15 -3.961 6.633 18.521 1.00 0.00 C ATOM 213 O ASN A 15 -3.051 6.617 17.716 1.00 0.00 O ATOM 214 CB ASN A 15 -2.659 6.389 20.661 1.00 0.00 C ATOM 215 CG ASN A 15 -2.694 5.771 22.060 1.00 0.00 C ATOM 216 OD1 ASN A 15 -3.105 4.640 22.227 1.00 0.00 O ATOM 217 ND2 ASN A 15 -2.275 6.468 23.081 1.00 0.00 N ATOM 0 H ASN A 15 -2.710 4.240 19.124 1.00 0.00 H new ATOM 0 HA ASN A 15 -4.798 6.048 20.378 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -1.730 6.123 20.157 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -2.684 7.476 20.731 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -2.293 6.063 24.017 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -1.930 7.418 22.943 1.00 0.00 H new ATOM 224 N GLY A 16 -5.064 7.287 18.284 1.00 0.00 N ATOM 225 CA GLY A 16 -5.227 8.033 17.006 1.00 0.00 C ATOM 226 C GLY A 16 -5.593 9.488 17.305 1.00 0.00 C ATOM 227 O GLY A 16 -5.681 10.311 16.416 1.00 0.00 O ATOM 0 H GLY A 16 -5.859 7.337 18.920 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -4.304 7.991 16.428 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -6.004 7.569 16.399 1.00 0.00 H new ATOM 231 N TYR A 17 -5.808 9.812 18.552 1.00 0.00 N ATOM 232 CA TYR A 17 -6.171 11.214 18.905 1.00 0.00 C ATOM 233 C TYR A 17 -7.406 11.652 18.114 1.00 0.00 C ATOM 234 O TYR A 17 -7.388 12.644 17.413 1.00 0.00 O ATOM 235 CB TYR A 17 -4.953 12.052 18.512 1.00 0.00 C ATOM 236 CG TYR A 17 -4.268 12.561 19.760 1.00 0.00 C ATOM 237 CD1 TYR A 17 -3.581 11.672 20.595 1.00 0.00 C ATOM 238 CD2 TYR A 17 -4.323 13.922 20.083 1.00 0.00 C ATOM 239 CE1 TYR A 17 -2.948 12.144 21.752 1.00 0.00 C ATOM 240 CE2 TYR A 17 -3.691 14.394 21.240 1.00 0.00 C ATOM 241 CZ TYR A 17 -3.004 13.505 22.075 1.00 0.00 C ATOM 242 OH TYR A 17 -2.383 13.970 23.216 1.00 0.00 O ATOM 0 H TYR A 17 -5.748 9.167 19.340 1.00 0.00 H new ATOM 0 HA TYR A 17 -6.414 11.325 19.962 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -4.260 11.452 17.923 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -5.261 12.889 17.886 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -3.539 10.622 20.347 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -4.853 14.608 19.439 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -2.417 11.458 22.395 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -3.734 15.444 21.488 1.00 0.00 H new ATOM 0 HH TYR A 17 -2.518 14.938 23.291 1.00 0.00 H new ATOM 252 N GLU A 18 -8.480 10.918 18.223 1.00 0.00 N ATOM 253 CA GLU A 18 -9.718 11.289 17.478 1.00 0.00 C ATOM 254 C GLU A 18 -10.842 10.301 17.795 1.00 0.00 C ATOM 255 O GLU A 18 -10.784 9.568 18.763 1.00 0.00 O ATOM 256 CB GLU A 18 -9.336 11.200 16.001 1.00 0.00 C ATOM 257 CG GLU A 18 -8.804 9.798 15.695 1.00 0.00 C ATOM 258 CD GLU A 18 -9.978 8.833 15.523 1.00 0.00 C ATOM 259 OE1 GLU A 18 -10.943 9.213 14.878 1.00 0.00 O ATOM 260 OE2 GLU A 18 -9.894 7.730 16.038 1.00 0.00 O ATOM 0 H GLU A 18 -8.554 10.077 18.796 1.00 0.00 H new ATOM 0 HA GLU A 18 -10.078 12.282 17.749 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -10.203 11.416 15.377 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -8.579 11.948 15.765 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -8.199 9.817 14.788 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -8.156 9.459 16.503 1.00 0.00 H new ATOM 267 N ASP A 19 -11.861 10.272 16.982 1.00 0.00 N ATOM 268 CA ASP A 19 -12.987 9.326 17.230 1.00 0.00 C ATOM 269 C ASP A 19 -13.407 8.664 15.918 1.00 0.00 C ATOM 270 O ASP A 19 -13.652 7.476 15.860 1.00 0.00 O ATOM 271 CB ASP A 19 -14.122 10.188 17.783 1.00 0.00 C ATOM 272 CG ASP A 19 -14.804 9.450 18.937 1.00 0.00 C ATOM 273 OD1 ASP A 19 -14.100 8.816 19.706 1.00 0.00 O ATOM 274 OD2 ASP A 19 -16.017 9.530 19.032 1.00 0.00 O ATOM 0 H ASP A 19 -11.964 10.862 16.156 1.00 0.00 H new ATOM 0 HA ASP A 19 -12.714 8.529 17.921 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -13.731 11.145 18.129 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -14.845 10.404 16.997 1.00 0.00 H new ATOM 279 N PHE A 20 -13.486 9.425 14.862 1.00 0.00 N ATOM 280 CA PHE A 20 -13.883 8.840 13.552 1.00 0.00 C ATOM 281 C PHE A 20 -12.692 8.860 12.592 1.00 0.00 C ATOM 282 O PHE A 20 -11.925 9.802 12.558 1.00 0.00 O ATOM 283 CB PHE A 20 -15.015 9.733 13.037 1.00 0.00 C ATOM 284 CG PHE A 20 -14.445 11.036 12.533 1.00 0.00 C ATOM 285 CD1 PHE A 20 -13.942 11.120 11.229 1.00 0.00 C ATOM 286 CD2 PHE A 20 -14.418 12.158 13.369 1.00 0.00 C ATOM 287 CE1 PHE A 20 -13.412 12.328 10.761 1.00 0.00 C ATOM 288 CE2 PHE A 20 -13.887 13.366 12.901 1.00 0.00 C ATOM 289 CZ PHE A 20 -13.384 13.451 11.597 1.00 0.00 C ATOM 0 H PHE A 20 -13.293 10.426 14.850 1.00 0.00 H new ATOM 0 HA PHE A 20 -14.204 7.802 13.640 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -15.555 9.227 12.236 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -15.733 9.923 13.835 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -13.963 10.253 10.585 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -14.807 12.092 14.375 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -13.025 12.394 9.755 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -13.865 14.232 13.546 1.00 0.00 H new ATOM 0 HZ PHE A 20 -12.974 14.383 11.236 1.00 0.00 H new ATOM 299 N TYR A 21 -12.528 7.826 11.817 1.00 0.00 N ATOM 300 CA TYR A 21 -11.387 7.784 10.865 1.00 0.00 C ATOM 301 C TYR A 21 -11.892 7.597 9.435 1.00 0.00 C ATOM 302 O TYR A 21 -11.159 7.758 8.480 1.00 0.00 O ATOM 303 CB TYR A 21 -10.551 6.594 11.304 1.00 0.00 C ATOM 304 CG TYR A 21 -9.370 7.107 12.096 1.00 0.00 C ATOM 305 CD1 TYR A 21 -8.635 8.203 11.623 1.00 0.00 C ATOM 306 CD2 TYR A 21 -9.014 6.498 13.303 1.00 0.00 C ATOM 307 CE1 TYR A 21 -7.546 8.685 12.355 1.00 0.00 C ATOM 308 CE2 TYR A 21 -7.924 6.981 14.036 1.00 0.00 C ATOM 309 CZ TYR A 21 -7.189 8.073 13.562 1.00 0.00 C ATOM 310 OH TYR A 21 -6.114 8.546 14.286 1.00 0.00 O ATOM 0 H TYR A 21 -13.136 7.007 11.802 1.00 0.00 H new ATOM 0 HA TYR A 21 -10.810 8.709 10.872 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -11.148 5.914 11.911 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -10.209 6.030 10.436 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -8.910 8.676 10.692 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -9.580 5.655 13.670 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -6.980 9.529 11.989 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -7.650 6.510 14.969 1.00 0.00 H new ATOM 0 HH TYR A 21 -6.108 9.526 14.260 1.00 0.00 H new ATOM 320 N THR A 22 -13.141 7.267 9.284 1.00 0.00 N ATOM 321 CA THR A 22 -13.706 7.080 7.920 1.00 0.00 C ATOM 322 C THR A 22 -12.858 6.104 7.099 1.00 0.00 C ATOM 323 O THR A 22 -12.986 4.902 7.221 1.00 0.00 O ATOM 324 CB THR A 22 -13.697 8.475 7.295 1.00 0.00 C ATOM 325 OG1 THR A 22 -14.545 9.332 8.046 1.00 0.00 O ATOM 326 CG2 THR A 22 -14.197 8.393 5.853 1.00 0.00 C ATOM 0 H THR A 22 -13.799 7.118 10.049 1.00 0.00 H new ATOM 0 HA THR A 22 -14.708 6.652 7.950 1.00 0.00 H new ATOM 0 HB THR A 22 -12.682 8.871 7.301 1.00 0.00 H new ATOM 0 HG1 THR A 22 -14.540 10.228 7.648 1.00 0.00 H new ATOM 0 HG21 THR A 22 -14.190 9.388 5.408 1.00 0.00 H new ATOM 0 HG22 THR A 22 -13.545 7.735 5.279 1.00 0.00 H new ATOM 0 HG23 THR A 22 -15.213 7.998 5.842 1.00 0.00 H new ATOM 334 N ASP A 23 -12.007 6.609 6.253 1.00 0.00 N ATOM 335 CA ASP A 23 -11.164 5.712 5.412 1.00 0.00 C ATOM 336 C ASP A 23 -9.845 6.407 5.065 1.00 0.00 C ATOM 337 O ASP A 23 -9.743 7.616 5.099 1.00 0.00 O ATOM 338 CB ASP A 23 -12.000 5.467 4.154 1.00 0.00 C ATOM 339 CG ASP A 23 -11.101 4.950 3.028 1.00 0.00 C ATOM 340 OD1 ASP A 23 -10.283 5.719 2.549 1.00 0.00 O ATOM 341 OD2 ASP A 23 -11.247 3.795 2.663 1.00 0.00 O ATOM 0 H ASP A 23 -11.857 7.607 6.106 1.00 0.00 H new ATOM 0 HA ASP A 23 -10.904 4.781 5.916 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -12.788 4.743 4.365 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -12.490 6.391 3.846 1.00 0.00 H new ATOM 346 N GLY A 24 -8.832 5.652 4.741 1.00 0.00 N ATOM 347 CA GLY A 24 -7.522 6.275 4.403 1.00 0.00 C ATOM 348 C GLY A 24 -6.858 6.763 5.690 1.00 0.00 C ATOM 349 O GLY A 24 -5.934 7.552 5.668 1.00 0.00 O ATOM 0 H GLY A 24 -8.854 4.633 4.696 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -6.880 5.553 3.898 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -7.667 7.108 3.715 1.00 0.00 H new ATOM 353 N SER A 25 -7.328 6.297 6.814 1.00 0.00 N ATOM 354 CA SER A 25 -6.735 6.728 8.111 1.00 0.00 C ATOM 355 C SER A 25 -5.761 5.675 8.623 1.00 0.00 C ATOM 356 O SER A 25 -5.635 4.606 8.061 1.00 0.00 O ATOM 357 CB SER A 25 -7.919 6.849 9.061 1.00 0.00 C ATOM 358 OG SER A 25 -8.670 8.010 8.734 1.00 0.00 O ATOM 0 H SER A 25 -8.100 5.634 6.890 1.00 0.00 H new ATOM 0 HA SER A 25 -6.180 7.661 8.018 1.00 0.00 H new ATOM 0 HB2 SER A 25 -8.549 5.963 8.989 1.00 0.00 H new ATOM 0 HB3 SER A 25 -7.568 6.908 10.091 1.00 0.00 H new ATOM 0 HG SER A 25 -9.514 7.746 8.312 1.00 0.00 H new ATOM 364 N VAL A 26 -5.074 5.968 9.689 1.00 0.00 N ATOM 365 CA VAL A 26 -4.110 4.980 10.239 1.00 0.00 C ATOM 366 C VAL A 26 -3.959 5.169 11.741 1.00 0.00 C ATOM 367 O VAL A 26 -4.188 6.238 12.272 1.00 0.00 O ATOM 368 CB VAL A 26 -2.791 5.270 9.522 1.00 0.00 C ATOM 369 CG1 VAL A 26 -1.641 4.586 10.261 1.00 0.00 C ATOM 370 CG2 VAL A 26 -2.862 4.738 8.092 1.00 0.00 C ATOM 0 H VAL A 26 -5.138 6.847 10.202 1.00 0.00 H new ATOM 0 HA VAL A 26 -4.439 3.952 10.083 1.00 0.00 H new ATOM 0 HB VAL A 26 -2.620 6.346 9.504 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -0.703 4.795 9.747 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -1.588 4.965 11.282 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -1.811 3.510 10.282 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -1.922 4.944 7.580 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -3.036 3.662 8.112 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -3.679 5.227 7.562 1.00 0.00 H new ATOM 380 N VAL A 27 -3.584 4.133 12.433 1.00 0.00 N ATOM 381 CA VAL A 27 -3.433 4.257 13.907 1.00 0.00 C ATOM 382 C VAL A 27 -2.168 3.578 14.394 1.00 0.00 C ATOM 383 O VAL A 27 -2.040 2.372 14.346 1.00 0.00 O ATOM 384 CB VAL A 27 -4.657 3.562 14.482 1.00 0.00 C ATOM 385 CG1 VAL A 27 -4.429 3.222 15.958 1.00 0.00 C ATOM 386 CG2 VAL A 27 -5.830 4.503 14.358 1.00 0.00 C ATOM 0 H VAL A 27 -3.377 3.212 12.046 1.00 0.00 H new ATOM 0 HA VAL A 27 -3.357 5.300 14.215 1.00 0.00 H new ATOM 0 HB VAL A 27 -4.847 2.636 13.939 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -5.313 2.725 16.358 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -3.568 2.560 16.050 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -4.244 4.139 16.518 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -6.723 4.027 14.764 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -5.622 5.418 14.912 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -5.994 4.744 13.308 1.00 0.00 H new ATOM 396 N THR A 28 -1.243 4.330 14.901 1.00 0.00 N ATOM 397 CA THR A 28 -0.023 3.687 15.419 1.00 0.00 C ATOM 398 C THR A 28 -0.403 2.912 16.674 1.00 0.00 C ATOM 399 O THR A 28 -0.641 3.479 17.722 1.00 0.00 O ATOM 400 CB THR A 28 0.956 4.818 15.733 1.00 0.00 C ATOM 401 OG1 THR A 28 0.357 6.068 15.421 1.00 0.00 O ATOM 402 CG2 THR A 28 2.221 4.632 14.898 1.00 0.00 C ATOM 0 H THR A 28 -1.279 5.346 14.978 1.00 0.00 H new ATOM 0 HA THR A 28 0.432 2.992 14.713 1.00 0.00 H new ATOM 0 HB THR A 28 1.211 4.798 16.793 1.00 0.00 H new ATOM 0 HG1 THR A 28 0.986 6.792 15.625 1.00 0.00 H new ATOM 0 HG21 THR A 28 2.923 5.436 15.118 1.00 0.00 H new ATOM 0 HG22 THR A 28 2.679 3.673 15.141 1.00 0.00 H new ATOM 0 HG23 THR A 28 1.964 4.654 13.839 1.00 0.00 H new ATOM 410 N TYR A 29 -0.496 1.620 16.566 1.00 0.00 N ATOM 411 CA TYR A 29 -0.902 0.806 17.741 1.00 0.00 C ATOM 412 C TYR A 29 0.190 0.839 18.812 1.00 0.00 C ATOM 413 O TYR A 29 1.367 0.859 18.512 1.00 0.00 O ATOM 414 CB TYR A 29 -1.046 -0.619 17.202 1.00 0.00 C ATOM 415 CG TYR A 29 -2.455 -0.890 16.716 1.00 0.00 C ATOM 416 CD1 TYR A 29 -3.458 0.089 16.805 1.00 0.00 C ATOM 417 CD2 TYR A 29 -2.755 -2.145 16.172 1.00 0.00 C ATOM 418 CE1 TYR A 29 -4.750 -0.194 16.352 1.00 0.00 C ATOM 419 CE2 TYR A 29 -4.046 -2.424 15.718 1.00 0.00 C ATOM 420 CZ TYR A 29 -5.045 -1.450 15.809 1.00 0.00 C ATOM 421 OH TYR A 29 -6.322 -1.727 15.363 1.00 0.00 O ATOM 0 H TYR A 29 -0.308 1.091 15.714 1.00 0.00 H new ATOM 0 HA TYR A 29 -1.820 1.178 18.196 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -0.342 -0.772 16.384 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -0.786 -1.333 17.984 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -3.232 1.059 17.223 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -1.985 -2.900 16.103 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -5.522 0.558 16.421 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -4.273 -3.392 15.297 1.00 0.00 H new ATOM 0 HH TYR A 29 -6.356 -2.642 15.015 1.00 0.00 H new ATOM 431 N SER A 30 -0.193 0.828 20.058 1.00 0.00 N ATOM 432 CA SER A 30 0.822 0.841 21.147 1.00 0.00 C ATOM 433 C SER A 30 1.011 -0.577 21.689 1.00 0.00 C ATOM 434 O SER A 30 0.120 -1.400 21.620 1.00 0.00 O ATOM 435 CB SER A 30 0.242 1.754 22.225 1.00 0.00 C ATOM 436 OG SER A 30 -0.644 2.688 21.623 1.00 0.00 O ATOM 0 H SER A 30 -1.164 0.811 20.369 1.00 0.00 H new ATOM 0 HA SER A 30 1.796 1.192 20.806 1.00 0.00 H new ATOM 0 HB2 SER A 30 -0.287 1.163 22.972 1.00 0.00 H new ATOM 0 HB3 SER A 30 1.044 2.279 22.744 1.00 0.00 H new ATOM 0 HG SER A 30 -1.019 3.274 22.313 1.00 0.00 H new ATOM 442 N CYS A 31 2.162 -0.873 22.223 1.00 0.00 N ATOM 443 CA CYS A 31 2.396 -2.243 22.762 1.00 0.00 C ATOM 444 C CYS A 31 2.844 -2.175 24.222 1.00 0.00 C ATOM 445 O CYS A 31 3.308 -1.156 24.694 1.00 0.00 O ATOM 446 CB CYS A 31 3.506 -2.832 21.892 1.00 0.00 C ATOM 447 SG CYS A 31 3.032 -2.724 20.149 1.00 0.00 S ATOM 0 H CYS A 31 2.949 -0.229 22.310 1.00 0.00 H new ATOM 0 HA CYS A 31 1.491 -2.850 22.737 1.00 0.00 H new ATOM 0 HB2 CYS A 31 4.438 -2.293 22.060 1.00 0.00 H new ATOM 0 HB3 CYS A 31 3.685 -3.871 22.167 1.00 0.00 H new ATOM 452 N ASN A 32 2.712 -3.257 24.937 1.00 0.00 N ATOM 453 CA ASN A 32 3.133 -3.264 26.367 1.00 0.00 C ATOM 454 C ASN A 32 4.547 -2.693 26.502 1.00 0.00 C ATOM 455 O ASN A 32 5.315 -2.685 25.561 1.00 0.00 O ATOM 456 CB ASN A 32 3.107 -4.735 26.780 1.00 0.00 C ATOM 457 CG ASN A 32 1.657 -5.200 26.924 1.00 0.00 C ATOM 458 OD1 ASN A 32 0.738 -4.457 26.641 1.00 0.00 O ATOM 459 ND2 ASN A 32 1.411 -6.408 27.353 1.00 0.00 N ATOM 0 H ASN A 32 2.330 -4.138 24.593 1.00 0.00 H new ATOM 0 HA ASN A 32 2.482 -2.654 26.993 1.00 0.00 H new ATOM 0 HB2 ASN A 32 3.622 -5.342 26.035 1.00 0.00 H new ATOM 0 HB3 ASN A 32 3.638 -4.868 27.723 1.00 0.00 H new ATOM 0 HD21 ASN A 32 0.447 -6.728 27.451 1.00 0.00 H new ATOM 0 HD22 ASN A 32 2.182 -7.032 27.591 1.00 0.00 H new ATOM 466 N SER A 33 4.897 -2.215 27.665 1.00 0.00 N ATOM 467 CA SER A 33 6.261 -1.644 27.856 1.00 0.00 C ATOM 468 C SER A 33 7.317 -2.747 27.750 1.00 0.00 C ATOM 469 O SER A 33 7.556 -3.483 28.687 1.00 0.00 O ATOM 470 CB SER A 33 6.249 -1.049 29.263 1.00 0.00 C ATOM 471 OG SER A 33 6.541 0.340 29.187 1.00 0.00 O ATOM 0 H SER A 33 4.298 -2.195 28.491 1.00 0.00 H new ATOM 0 HA SER A 33 6.504 -0.898 27.100 1.00 0.00 H new ATOM 0 HB2 SER A 33 5.275 -1.203 29.727 1.00 0.00 H new ATOM 0 HB3 SER A 33 6.984 -1.553 29.890 1.00 0.00 H new ATOM 0 HG SER A 33 6.533 0.726 30.088 1.00 0.00 H new ATOM 477 N GLY A 34 7.955 -2.867 26.617 1.00 0.00 N ATOM 478 CA GLY A 34 8.996 -3.922 26.458 1.00 0.00 C ATOM 479 C GLY A 34 8.644 -4.818 25.270 1.00 0.00 C ATOM 480 O GLY A 34 9.244 -5.854 25.064 1.00 0.00 O ATOM 0 H GLY A 34 7.801 -2.281 25.796 1.00 0.00 H new ATOM 0 HA2 GLY A 34 9.972 -3.463 26.303 1.00 0.00 H new ATOM 0 HA3 GLY A 34 9.065 -4.518 27.368 1.00 0.00 H new ATOM 484 N TYR A 35 7.676 -4.429 24.486 1.00 0.00 N ATOM 485 CA TYR A 35 7.291 -5.261 23.312 1.00 0.00 C ATOM 486 C TYR A 35 7.739 -4.586 22.013 1.00 0.00 C ATOM 487 O TYR A 35 8.104 -3.427 21.997 1.00 0.00 O ATOM 488 CB TYR A 35 5.766 -5.355 23.374 1.00 0.00 C ATOM 489 CG TYR A 35 5.364 -6.677 23.990 1.00 0.00 C ATOM 490 CD1 TYR A 35 6.246 -7.354 24.841 1.00 0.00 C ATOM 491 CD2 TYR A 35 4.105 -7.223 23.710 1.00 0.00 C ATOM 492 CE1 TYR A 35 5.871 -8.577 25.410 1.00 0.00 C ATOM 493 CE2 TYR A 35 3.730 -8.446 24.279 1.00 0.00 C ATOM 494 CZ TYR A 35 4.613 -9.122 25.130 1.00 0.00 C ATOM 495 OH TYR A 35 4.243 -10.327 25.691 1.00 0.00 O ATOM 0 H TYR A 35 7.136 -3.572 24.608 1.00 0.00 H new ATOM 0 HA TYR A 35 7.759 -6.245 23.333 1.00 0.00 H new ATOM 0 HB2 TYR A 35 5.364 -4.531 23.963 1.00 0.00 H new ATOM 0 HB3 TYR A 35 5.345 -5.266 22.373 1.00 0.00 H new ATOM 0 HD1 TYR A 35 7.216 -6.932 25.059 1.00 0.00 H new ATOM 0 HD2 TYR A 35 3.423 -6.701 23.055 1.00 0.00 H new ATOM 0 HE1 TYR A 35 6.552 -9.100 26.065 1.00 0.00 H new ATOM 0 HE2 TYR A 35 2.760 -8.868 24.062 1.00 0.00 H new ATOM 0 HH TYR A 35 3.339 -10.562 25.395 1.00 0.00 H new ATOM 505 N SER A 36 7.721 -5.308 20.928 1.00 0.00 N ATOM 506 CA SER A 36 8.152 -4.723 19.628 1.00 0.00 C ATOM 507 C SER A 36 6.949 -4.504 18.710 1.00 0.00 C ATOM 508 O SER A 36 6.117 -5.374 18.545 1.00 0.00 O ATOM 509 CB SER A 36 9.085 -5.772 19.030 1.00 0.00 C ATOM 510 OG SER A 36 8.526 -7.064 19.228 1.00 0.00 O ATOM 0 H SER A 36 7.425 -6.283 20.886 1.00 0.00 H new ATOM 0 HA SER A 36 8.633 -3.753 19.752 1.00 0.00 H new ATOM 0 HB2 SER A 36 9.228 -5.584 17.966 1.00 0.00 H new ATOM 0 HB3 SER A 36 10.067 -5.712 19.499 1.00 0.00 H new ATOM 0 HG SER A 36 7.597 -7.070 18.916 1.00 0.00 H new ATOM 516 N LEU A 37 6.856 -3.355 18.097 1.00 0.00 N ATOM 517 CA LEU A 37 5.712 -3.101 17.178 1.00 0.00 C ATOM 518 C LEU A 37 6.125 -3.418 15.742 1.00 0.00 C ATOM 519 O LEU A 37 6.912 -2.714 15.140 1.00 0.00 O ATOM 520 CB LEU A 37 5.379 -1.614 17.319 1.00 0.00 C ATOM 521 CG LEU A 37 4.161 -1.292 16.445 1.00 0.00 C ATOM 522 CD1 LEU A 37 2.982 -0.887 17.330 1.00 0.00 C ATOM 523 CD2 LEU A 37 4.498 -0.142 15.494 1.00 0.00 C ATOM 0 H LEU A 37 7.519 -2.586 18.192 1.00 0.00 H new ATOM 0 HA LEU A 37 4.851 -3.724 17.420 1.00 0.00 H new ATOM 0 HB2 LEU A 37 5.170 -1.372 18.361 1.00 0.00 H new ATOM 0 HB3 LEU A 37 6.232 -1.006 17.016 1.00 0.00 H new ATOM 0 HG LEU A 37 3.894 -2.177 15.867 1.00 0.00 H new ATOM 0 HD11 LEU A 37 2.119 -0.659 16.704 1.00 0.00 H new ATOM 0 HD12 LEU A 37 2.735 -1.707 18.005 1.00 0.00 H new ATOM 0 HD13 LEU A 37 3.250 -0.006 17.913 1.00 0.00 H new ATOM 0 HD21 LEU A 37 3.630 0.084 14.874 1.00 0.00 H new ATOM 0 HD22 LEU A 37 4.771 0.741 16.073 1.00 0.00 H new ATOM 0 HD23 LEU A 37 5.334 -0.430 14.856 1.00 0.00 H new ATOM 535 N ILE A 38 5.596 -4.469 15.185 1.00 0.00 N ATOM 536 CA ILE A 38 5.952 -4.826 13.780 1.00 0.00 C ATOM 537 C ILE A 38 4.787 -4.467 12.868 1.00 0.00 C ATOM 538 O ILE A 38 3.646 -4.662 13.216 1.00 0.00 O ATOM 539 CB ILE A 38 6.196 -6.344 13.740 1.00 0.00 C ATOM 540 CG1 ILE A 38 6.383 -6.920 15.146 1.00 0.00 C ATOM 541 CG2 ILE A 38 7.463 -6.619 12.937 1.00 0.00 C ATOM 542 CD1 ILE A 38 7.591 -6.259 15.805 1.00 0.00 C ATOM 0 H ILE A 38 4.933 -5.097 15.639 1.00 0.00 H new ATOM 0 HA ILE A 38 6.840 -4.288 13.448 1.00 0.00 H new ATOM 0 HB ILE A 38 5.326 -6.815 13.282 1.00 0.00 H new ATOM 0 HG12 ILE A 38 5.488 -6.748 15.744 1.00 0.00 H new ATOM 0 HG13 ILE A 38 6.528 -7.999 15.093 1.00 0.00 H new ATOM 0 HG21 ILE A 38 7.646 -7.693 12.902 1.00 0.00 H new ATOM 0 HG22 ILE A 38 7.341 -6.239 11.923 1.00 0.00 H new ATOM 0 HG23 ILE A 38 8.309 -6.122 13.411 1.00 0.00 H new ATOM 0 HD11 ILE A 38 7.727 -6.667 16.807 1.00 0.00 H new ATOM 0 HD12 ILE A 38 8.483 -6.454 15.209 1.00 0.00 H new ATOM 0 HD13 ILE A 38 7.427 -5.183 15.870 1.00 0.00 H new ATOM 554 N GLY A 39 5.059 -3.945 11.709 1.00 0.00 N ATOM 555 CA GLY A 39 3.948 -3.573 10.788 1.00 0.00 C ATOM 556 C GLY A 39 4.263 -2.233 10.123 1.00 0.00 C ATOM 557 O GLY A 39 5.406 -1.832 10.027 1.00 0.00 O ATOM 0 H GLY A 39 5.998 -3.759 11.358 1.00 0.00 H new ATOM 0 HA2 GLY A 39 3.816 -4.345 10.030 1.00 0.00 H new ATOM 0 HA3 GLY A 39 3.011 -3.505 11.340 1.00 0.00 H new ATOM 561 N ASN A 40 3.259 -1.533 9.667 1.00 0.00 N ATOM 562 CA ASN A 40 3.514 -0.216 9.016 1.00 0.00 C ATOM 563 C ASN A 40 3.249 0.912 10.008 1.00 0.00 C ATOM 564 O ASN A 40 2.537 1.855 9.724 1.00 0.00 O ATOM 565 CB ASN A 40 2.544 -0.149 7.835 1.00 0.00 C ATOM 566 CG ASN A 40 3.294 -0.465 6.539 1.00 0.00 C ATOM 567 OD1 ASN A 40 4.389 0.014 6.324 1.00 0.00 O ATOM 568 ND2 ASN A 40 2.745 -1.259 5.660 1.00 0.00 N ATOM 0 H ASN A 40 2.280 -1.814 9.717 1.00 0.00 H new ATOM 0 HA ASN A 40 4.547 -0.111 8.684 1.00 0.00 H new ATOM 0 HB2 ASN A 40 1.730 -0.859 7.979 1.00 0.00 H new ATOM 0 HB3 ASN A 40 2.095 0.842 7.775 1.00 0.00 H new ATOM 0 HD21 ASN A 40 3.236 -1.477 4.793 1.00 0.00 H new ATOM 0 HD22 ASN A 40 1.825 -1.661 5.840 1.00 0.00 H new ATOM 575 N SER A 41 3.842 0.804 11.163 1.00 0.00 N ATOM 576 CA SER A 41 3.683 1.840 12.233 1.00 0.00 C ATOM 577 C SER A 41 2.345 2.580 12.115 1.00 0.00 C ATOM 578 O SER A 41 2.310 3.789 12.000 1.00 0.00 O ATOM 579 CB SER A 41 4.845 2.808 12.013 1.00 0.00 C ATOM 580 OG SER A 41 4.800 3.299 10.680 1.00 0.00 O ATOM 0 H SER A 41 4.446 0.023 11.421 1.00 0.00 H new ATOM 0 HA SER A 41 3.689 1.390 13.226 1.00 0.00 H new ATOM 0 HB2 SER A 41 4.783 3.635 12.720 1.00 0.00 H new ATOM 0 HB3 SER A 41 5.794 2.303 12.195 1.00 0.00 H new ATOM 0 HG SER A 41 5.543 3.922 10.535 1.00 0.00 H new ATOM 586 N GLY A 42 1.244 1.878 12.148 1.00 0.00 N ATOM 587 CA GLY A 42 -0.068 2.579 12.044 1.00 0.00 C ATOM 588 C GLY A 42 -1.068 1.740 11.250 1.00 0.00 C ATOM 589 O GLY A 42 -0.906 1.524 10.065 1.00 0.00 O ATOM 0 H GLY A 42 1.195 0.863 12.241 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -0.461 2.775 13.042 1.00 0.00 H new ATOM 0 HA3 GLY A 42 0.068 3.546 11.560 1.00 0.00 H new ATOM 593 N VAL A 43 -2.122 1.289 11.881 1.00 0.00 N ATOM 594 CA VAL A 43 -3.134 0.495 11.117 1.00 0.00 C ATOM 595 C VAL A 43 -3.577 1.335 9.928 1.00 0.00 C ATOM 596 O VAL A 43 -3.104 2.437 9.739 1.00 0.00 O ATOM 597 CB VAL A 43 -4.359 0.241 12.013 1.00 0.00 C ATOM 598 CG1 VAL A 43 -4.917 -1.150 11.708 1.00 0.00 C ATOM 599 CG2 VAL A 43 -4.013 0.313 13.496 1.00 0.00 C ATOM 0 H VAL A 43 -2.325 1.431 12.871 1.00 0.00 H new ATOM 0 HA VAL A 43 -2.709 -0.455 10.794 1.00 0.00 H new ATOM 0 HB VAL A 43 -5.093 1.018 11.800 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -5.786 -1.340 12.338 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -5.211 -1.202 10.660 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -4.153 -1.901 11.908 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -4.909 0.127 14.088 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -3.260 -0.440 13.731 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -3.622 1.303 13.731 1.00 0.00 H new ATOM 609 N LEU A 44 -4.498 0.851 9.146 1.00 0.00 N ATOM 610 CA LEU A 44 -4.979 1.657 7.992 1.00 0.00 C ATOM 611 C LEU A 44 -6.465 1.397 7.753 1.00 0.00 C ATOM 612 O LEU A 44 -6.838 0.483 7.044 1.00 0.00 O ATOM 613 CB LEU A 44 -4.153 1.196 6.790 1.00 0.00 C ATOM 614 CG LEU A 44 -4.739 1.796 5.507 1.00 0.00 C ATOM 615 CD1 LEU A 44 -4.089 3.150 5.225 1.00 0.00 C ATOM 616 CD2 LEU A 44 -4.474 0.849 4.336 1.00 0.00 C ATOM 0 H LEU A 44 -4.937 -0.063 9.255 1.00 0.00 H new ATOM 0 HA LEU A 44 -4.863 2.727 8.168 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -3.115 1.506 6.908 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -4.155 0.108 6.729 1.00 0.00 H new ATOM 0 HG LEU A 44 -5.813 1.933 5.631 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -4.509 3.572 4.312 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -4.280 3.826 6.059 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -3.014 3.019 5.103 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -4.890 1.274 3.423 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -3.399 0.711 4.215 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -4.943 -0.115 4.534 1.00 0.00 H new ATOM 628 N CYS A 45 -7.318 2.197 8.326 1.00 0.00 N ATOM 629 CA CYS A 45 -8.775 1.990 8.110 1.00 0.00 C ATOM 630 C CYS A 45 -9.151 2.449 6.702 1.00 0.00 C ATOM 631 O CYS A 45 -8.984 3.600 6.351 1.00 0.00 O ATOM 632 CB CYS A 45 -9.470 2.857 9.153 1.00 0.00 C ATOM 633 SG CYS A 45 -10.987 2.034 9.695 1.00 0.00 S ATOM 0 H CYS A 45 -7.072 2.980 8.931 1.00 0.00 H new ATOM 0 HA CYS A 45 -9.063 0.943 8.205 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -8.809 3.024 10.003 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -9.703 3.836 8.733 1.00 0.00 H new ATOM 638 N SER A 46 -9.646 1.563 5.888 1.00 0.00 N ATOM 639 CA SER A 46 -10.013 1.968 4.503 1.00 0.00 C ATOM 640 C SER A 46 -11.435 1.513 4.162 1.00 0.00 C ATOM 641 O SER A 46 -11.632 0.558 3.437 1.00 0.00 O ATOM 642 CB SER A 46 -8.997 1.263 3.607 1.00 0.00 C ATOM 643 OG SER A 46 -9.248 1.610 2.251 1.00 0.00 O ATOM 0 H SER A 46 -9.812 0.583 6.117 1.00 0.00 H new ATOM 0 HA SER A 46 -9.995 3.050 4.376 1.00 0.00 H new ATOM 0 HB2 SER A 46 -7.984 1.553 3.887 1.00 0.00 H new ATOM 0 HB3 SER A 46 -9.067 0.183 3.737 1.00 0.00 H new ATOM 0 HG SER A 46 -9.882 2.357 2.216 1.00 0.00 H new ATOM 649 N GLY A 47 -12.429 2.191 4.670 1.00 0.00 N ATOM 650 CA GLY A 47 -13.834 1.798 4.363 1.00 0.00 C ATOM 651 C GLY A 47 -14.472 1.139 5.589 1.00 0.00 C ATOM 652 O GLY A 47 -15.000 0.047 5.513 1.00 0.00 O ATOM 0 H GLY A 47 -12.329 2.999 5.284 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -14.410 2.676 4.070 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -13.852 1.109 3.519 1.00 0.00 H new ATOM 656 N GLY A 48 -14.434 1.794 6.717 1.00 0.00 N ATOM 657 CA GLY A 48 -15.046 1.204 7.942 1.00 0.00 C ATOM 658 C GLY A 48 -14.399 -0.148 8.242 1.00 0.00 C ATOM 659 O GLY A 48 -14.995 -1.010 8.858 1.00 0.00 O ATOM 0 H GLY A 48 -14.006 2.711 6.844 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -14.911 1.878 8.788 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -16.120 1.081 7.800 1.00 0.00 H new ATOM 663 N GLU A 49 -13.182 -0.342 7.815 1.00 0.00 N ATOM 664 CA GLU A 49 -12.498 -1.640 8.079 1.00 0.00 C ATOM 665 C GLU A 49 -11.002 -1.406 8.296 1.00 0.00 C ATOM 666 O GLU A 49 -10.308 -0.912 7.430 1.00 0.00 O ATOM 667 CB GLU A 49 -12.737 -2.479 6.824 1.00 0.00 C ATOM 668 CG GLU A 49 -13.701 -3.621 7.151 1.00 0.00 C ATOM 669 CD GLU A 49 -13.114 -4.480 8.273 1.00 0.00 C ATOM 670 OE1 GLU A 49 -12.142 -5.170 8.017 1.00 0.00 O ATOM 671 OE2 GLU A 49 -13.647 -4.432 9.370 1.00 0.00 O ATOM 0 H GLU A 49 -12.631 0.341 7.295 1.00 0.00 H new ATOM 0 HA GLU A 49 -12.877 -2.136 8.973 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -13.150 -1.856 6.030 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -11.793 -2.880 6.456 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -14.668 -3.219 7.454 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -13.873 -4.231 6.264 1.00 0.00 H new ATOM 678 N TRP A 50 -10.502 -1.751 9.450 1.00 0.00 N ATOM 679 CA TRP A 50 -9.053 -1.542 9.726 1.00 0.00 C ATOM 680 C TRP A 50 -8.227 -2.681 9.125 1.00 0.00 C ATOM 681 O TRP A 50 -8.554 -3.842 9.272 1.00 0.00 O ATOM 682 CB TRP A 50 -8.946 -1.535 11.253 1.00 0.00 C ATOM 683 CG TRP A 50 -9.487 -0.243 11.771 1.00 0.00 C ATOM 684 CD1 TRP A 50 -10.728 -0.067 12.279 1.00 0.00 C ATOM 685 CD2 TRP A 50 -8.831 1.055 11.831 1.00 0.00 C ATOM 686 NE1 TRP A 50 -10.877 1.260 12.641 1.00 0.00 N ATOM 687 CE2 TRP A 50 -9.735 1.991 12.386 1.00 0.00 C ATOM 688 CE3 TRP A 50 -7.554 1.505 11.459 1.00 0.00 C ATOM 689 CZ2 TRP A 50 -9.386 3.330 12.564 1.00 0.00 C ATOM 690 CZ3 TRP A 50 -7.194 2.849 11.638 1.00 0.00 C ATOM 691 CH2 TRP A 50 -8.108 3.761 12.187 1.00 0.00 C ATOM 0 H TRP A 50 -11.034 -2.168 10.214 1.00 0.00 H new ATOM 0 HA TRP A 50 -8.673 -0.620 9.287 1.00 0.00 H new ATOM 0 HB2 TRP A 50 -9.503 -2.372 11.674 1.00 0.00 H new ATOM 0 HB3 TRP A 50 -7.907 -1.658 11.558 1.00 0.00 H new ATOM 0 HD1 TRP A 50 -11.479 -0.836 12.385 1.00 0.00 H new ATOM 0 HE1 TRP A 50 -11.727 1.650 13.047 1.00 0.00 H new ATOM 0 HE3 TRP A 50 -6.844 0.812 11.032 1.00 0.00 H new ATOM 0 HZ2 TRP A 50 -10.094 4.027 12.988 1.00 0.00 H new ATOM 0 HZ3 TRP A 50 -6.208 3.184 11.352 1.00 0.00 H new ATOM 0 HH2 TRP A 50 -7.826 4.795 12.319 1.00 0.00 H new ATOM 702 N SER A 51 -7.162 -2.360 8.443 1.00 0.00 N ATOM 703 CA SER A 51 -6.324 -3.428 7.830 1.00 0.00 C ATOM 704 C SER A 51 -4.836 -3.144 8.053 1.00 0.00 C ATOM 705 O SER A 51 -4.443 -2.051 8.410 1.00 0.00 O ATOM 706 CB SER A 51 -6.655 -3.388 6.339 1.00 0.00 C ATOM 707 OG SER A 51 -7.975 -2.892 6.163 1.00 0.00 O ATOM 0 H SER A 51 -6.837 -1.406 8.284 1.00 0.00 H new ATOM 0 HA SER A 51 -6.526 -4.404 8.270 1.00 0.00 H new ATOM 0 HB2 SER A 51 -5.942 -2.752 5.814 1.00 0.00 H new ATOM 0 HB3 SER A 51 -6.569 -4.386 5.909 1.00 0.00 H new ATOM 0 HG SER A 51 -8.189 -2.864 5.207 1.00 0.00 H new ATOM 713 N ASP A 52 -4.010 -4.128 7.835 1.00 0.00 N ATOM 714 CA ASP A 52 -2.542 -3.944 8.020 1.00 0.00 C ATOM 715 C ASP A 52 -2.227 -3.431 9.425 1.00 0.00 C ATOM 716 O ASP A 52 -1.719 -2.341 9.597 1.00 0.00 O ATOM 717 CB ASP A 52 -2.132 -2.918 6.964 1.00 0.00 C ATOM 718 CG ASP A 52 -0.786 -3.318 6.357 1.00 0.00 C ATOM 719 OD1 ASP A 52 0.153 -3.497 7.114 1.00 0.00 O ATOM 720 OD2 ASP A 52 -0.717 -3.437 5.144 1.00 0.00 O ATOM 0 H ASP A 52 -4.291 -5.061 7.534 1.00 0.00 H new ATOM 0 HA ASP A 52 -2.000 -4.883 7.909 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -2.891 -2.860 6.184 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -2.060 -1.927 7.413 1.00 0.00 H new ATOM 725 N PRO A 53 -2.530 -4.258 10.381 1.00 0.00 N ATOM 726 CA PRO A 53 -2.277 -3.937 11.795 1.00 0.00 C ATOM 727 C PRO A 53 -0.898 -4.460 12.198 1.00 0.00 C ATOM 728 O PRO A 53 -0.538 -5.569 11.855 1.00 0.00 O ATOM 729 CB PRO A 53 -3.370 -4.713 12.519 1.00 0.00 C ATOM 730 CG PRO A 53 -3.734 -5.853 11.602 1.00 0.00 C ATOM 731 CD PRO A 53 -3.143 -5.571 10.236 1.00 0.00 C ATOM 0 HA PRO A 53 -2.290 -2.870 12.016 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -3.016 -5.082 13.482 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -4.234 -4.079 12.718 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -3.350 -6.794 11.995 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -4.817 -5.955 11.534 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -2.408 -6.326 9.956 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -3.910 -5.570 9.462 1.00 0.00 H new ATOM 739 N PRO A 54 -0.165 -3.653 12.910 1.00 0.00 N ATOM 740 CA PRO A 54 1.182 -4.068 13.345 1.00 0.00 C ATOM 741 C PRO A 54 1.085 -5.076 14.492 1.00 0.00 C ATOM 742 O PRO A 54 0.012 -5.391 14.967 1.00 0.00 O ATOM 743 CB PRO A 54 1.839 -2.765 13.787 1.00 0.00 C ATOM 744 CG PRO A 54 0.708 -1.854 14.148 1.00 0.00 C ATOM 745 CD PRO A 54 -0.509 -2.304 13.371 1.00 0.00 C ATOM 0 HA PRO A 54 1.754 -4.568 12.564 1.00 0.00 H new ATOM 0 HB2 PRO A 54 2.500 -2.927 14.638 1.00 0.00 H new ATOM 0 HB3 PRO A 54 2.446 -2.340 12.988 1.00 0.00 H new ATOM 0 HG2 PRO A 54 0.513 -1.892 15.220 1.00 0.00 H new ATOM 0 HG3 PRO A 54 0.956 -0.821 13.905 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -1.401 -2.313 13.998 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -0.715 -1.638 12.533 1.00 0.00 H new ATOM 753 N THR A 55 2.197 -5.606 14.919 1.00 0.00 N ATOM 754 CA THR A 55 2.165 -6.621 16.010 1.00 0.00 C ATOM 755 C THR A 55 3.006 -6.186 17.210 1.00 0.00 C ATOM 756 O THR A 55 4.046 -5.577 17.068 1.00 0.00 O ATOM 757 CB THR A 55 2.779 -7.870 15.379 1.00 0.00 C ATOM 758 OG1 THR A 55 3.908 -7.495 14.606 1.00 0.00 O ATOM 759 CG2 THR A 55 1.751 -8.544 14.475 1.00 0.00 C ATOM 0 H THR A 55 3.125 -5.381 14.561 1.00 0.00 H new ATOM 0 HA THR A 55 1.153 -6.775 16.384 1.00 0.00 H new ATOM 0 HB THR A 55 3.082 -8.563 16.164 1.00 0.00 H new ATOM 0 HG1 THR A 55 4.249 -8.277 14.124 1.00 0.00 H new ATOM 0 HG21 THR A 55 2.190 -9.435 14.026 1.00 0.00 H new ATOM 0 HG22 THR A 55 0.879 -8.827 15.064 1.00 0.00 H new ATOM 0 HG23 THR A 55 1.449 -7.852 13.689 1.00 0.00 H new ATOM 767 N CYS A 56 2.572 -6.529 18.390 1.00 0.00 N ATOM 768 CA CYS A 56 3.352 -6.175 19.606 1.00 0.00 C ATOM 769 C CYS A 56 4.026 -7.431 20.138 1.00 0.00 C ATOM 770 O CYS A 56 3.528 -8.099 21.022 1.00 0.00 O ATOM 771 CB CYS A 56 2.327 -5.633 20.604 1.00 0.00 C ATOM 772 SG CYS A 56 1.585 -4.119 19.944 1.00 0.00 S ATOM 0 H CYS A 56 1.707 -7.041 18.564 1.00 0.00 H new ATOM 0 HA CYS A 56 4.132 -5.438 19.414 1.00 0.00 H new ATOM 0 HB2 CYS A 56 1.554 -6.379 20.789 1.00 0.00 H new ATOM 0 HB3 CYS A 56 2.808 -5.428 21.561 1.00 0.00 H new ATOM 777 N GLN A 57 5.149 -7.766 19.579 1.00 0.00 N ATOM 778 CA GLN A 57 5.866 -8.993 20.012 1.00 0.00 C ATOM 779 C GLN A 57 7.153 -8.620 20.749 1.00 0.00 C ATOM 780 O GLN A 57 7.212 -7.631 21.448 1.00 0.00 O ATOM 781 CB GLN A 57 6.191 -9.767 18.720 1.00 0.00 C ATOM 782 CG GLN A 57 5.451 -9.179 17.510 1.00 0.00 C ATOM 783 CD GLN A 57 5.418 -10.210 16.381 1.00 0.00 C ATOM 784 OE1 GLN A 57 5.731 -9.900 15.249 1.00 0.00 O ATOM 785 NE2 GLN A 57 5.048 -11.433 16.642 1.00 0.00 N ATOM 0 H GLN A 57 5.606 -7.239 18.835 1.00 0.00 H new ATOM 0 HA GLN A 57 5.265 -9.592 20.696 1.00 0.00 H new ATOM 0 HB2 GLN A 57 7.266 -9.740 18.539 1.00 0.00 H new ATOM 0 HB3 GLN A 57 5.915 -10.814 18.843 1.00 0.00 H new ATOM 0 HG2 GLN A 57 4.436 -8.900 17.792 1.00 0.00 H new ATOM 0 HG3 GLN A 57 5.949 -8.270 17.172 1.00 0.00 H new ATOM 0 HE21 GLN A 57 4.785 -11.694 17.592 1.00 0.00 H new ATOM 0 HE22 GLN A 57 5.022 -12.128 15.896 1.00 0.00 H new ATOM 794 N ILE A 58 8.182 -9.403 20.602 1.00 0.00 N ATOM 795 CA ILE A 58 9.465 -9.086 21.291 1.00 0.00 C ATOM 796 C ILE A 58 10.622 -9.320 20.317 1.00 0.00 C ATOM 797 O ILE A 58 11.031 -10.440 20.083 1.00 0.00 O ATOM 798 CB ILE A 58 9.564 -10.044 22.489 1.00 0.00 C ATOM 799 CG1 ILE A 58 8.180 -10.582 22.876 1.00 0.00 C ATOM 800 CG2 ILE A 58 10.151 -9.290 23.679 1.00 0.00 C ATOM 801 CD1 ILE A 58 7.829 -11.774 21.983 1.00 0.00 C ATOM 0 H ILE A 58 8.192 -10.250 20.034 1.00 0.00 H new ATOM 0 HA ILE A 58 9.507 -8.050 21.626 1.00 0.00 H new ATOM 0 HB ILE A 58 10.201 -10.884 22.212 1.00 0.00 H new ATOM 0 HG12 ILE A 58 8.175 -10.884 23.923 1.00 0.00 H new ATOM 0 HG13 ILE A 58 7.430 -9.799 22.767 1.00 0.00 H new ATOM 0 HG21 ILE A 58 10.225 -9.961 24.534 1.00 0.00 H new ATOM 0 HG22 ILE A 58 11.143 -8.919 23.421 1.00 0.00 H new ATOM 0 HG23 ILE A 58 9.504 -8.450 23.932 1.00 0.00 H new ATOM 0 HD11 ILE A 58 6.846 -12.157 22.257 1.00 0.00 H new ATOM 0 HD12 ILE A 58 7.817 -11.456 20.940 1.00 0.00 H new ATOM 0 HD13 ILE A 58 8.574 -12.559 22.115 1.00 0.00 H new ATOM 813 N VAL A 59 11.133 -8.275 19.725 1.00 0.00 N ATOM 814 CA VAL A 59 12.242 -8.445 18.740 1.00 0.00 C ATOM 815 C VAL A 59 13.593 -8.095 19.332 1.00 0.00 C ATOM 816 O VAL A 59 14.245 -7.180 18.874 1.00 0.00 O ATOM 817 CB VAL A 59 11.964 -7.444 17.640 1.00 0.00 C ATOM 818 CG1 VAL A 59 10.603 -7.704 16.993 1.00 0.00 C ATOM 819 CG2 VAL A 59 11.999 -6.050 18.257 1.00 0.00 C ATOM 0 H VAL A 59 10.832 -7.313 19.879 1.00 0.00 H new ATOM 0 HA VAL A 59 12.278 -9.482 18.407 1.00 0.00 H new ATOM 0 HB VAL A 59 12.718 -7.535 16.858 1.00 0.00 H new ATOM 0 HG11 VAL A 59 10.428 -6.971 16.206 1.00 0.00 H new ATOM 0 HG12 VAL A 59 10.589 -8.706 16.565 1.00 0.00 H new ATOM 0 HG13 VAL A 59 9.820 -7.621 17.747 1.00 0.00 H new ATOM 0 HG21 VAL A 59 11.801 -5.306 17.486 1.00 0.00 H new ATOM 0 HG22 VAL A 59 11.239 -5.977 19.035 1.00 0.00 H new ATOM 0 HG23 VAL A 59 12.982 -5.869 18.692 1.00 0.00 H new ATOM 829 N LYS A 60 14.054 -8.805 20.300 1.00 0.00 N ATOM 830 CA LYS A 60 15.396 -8.459 20.825 1.00 0.00 C ATOM 831 C LYS A 60 16.406 -8.767 19.726 1.00 0.00 C ATOM 832 O LYS A 60 16.037 -9.230 18.669 1.00 0.00 O ATOM 833 CB LYS A 60 15.605 -9.332 22.063 1.00 0.00 C ATOM 834 CG LYS A 60 15.235 -8.532 23.314 1.00 0.00 C ATOM 835 CD LYS A 60 14.028 -9.178 23.998 1.00 0.00 C ATOM 836 CE LYS A 60 13.658 -8.377 25.250 1.00 0.00 C ATOM 837 NZ LYS A 60 13.161 -7.069 24.740 1.00 0.00 N ATOM 0 H LYS A 60 13.582 -9.591 20.746 1.00 0.00 H new ATOM 0 HA LYS A 60 15.507 -7.411 21.102 1.00 0.00 H new ATOM 0 HB2 LYS A 60 14.991 -10.230 21.997 1.00 0.00 H new ATOM 0 HB3 LYS A 60 16.643 -9.659 22.120 1.00 0.00 H new ATOM 0 HG2 LYS A 60 16.081 -8.500 24.001 1.00 0.00 H new ATOM 0 HG3 LYS A 60 15.004 -7.501 23.044 1.00 0.00 H new ATOM 0 HD2 LYS A 60 13.182 -9.210 23.311 1.00 0.00 H new ATOM 0 HD3 LYS A 60 14.259 -10.209 24.268 1.00 0.00 H new ATOM 0 HE2 LYS A 60 12.893 -8.889 25.834 1.00 0.00 H new ATOM 0 HE3 LYS A 60 14.521 -8.244 25.902 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 12.492 -6.661 25.424 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 13.963 -6.419 24.611 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 12.681 -7.212 23.829 1.00 0.00 H new ATOM 851 N CYS A 61 17.658 -8.483 19.919 1.00 0.00 N ATOM 852 CA CYS A 61 18.616 -8.743 18.803 1.00 0.00 C ATOM 853 C CYS A 61 19.862 -9.521 19.225 1.00 0.00 C ATOM 854 O CYS A 61 20.158 -9.671 20.394 1.00 0.00 O ATOM 855 CB CYS A 61 19.004 -7.361 18.310 1.00 0.00 C ATOM 856 SG CYS A 61 18.038 -6.985 16.836 1.00 0.00 S ATOM 0 H CYS A 61 18.057 -8.093 20.773 1.00 0.00 H new ATOM 0 HA CYS A 61 18.149 -9.369 18.043 1.00 0.00 H new ATOM 0 HB2 CYS A 61 18.818 -6.617 19.084 1.00 0.00 H new ATOM 0 HB3 CYS A 61 20.070 -7.325 18.083 1.00 0.00 H new ATOM 861 N PRO A 62 20.551 -9.983 18.209 1.00 0.00 N ATOM 862 CA PRO A 62 21.794 -10.758 18.385 1.00 0.00 C ATOM 863 C PRO A 62 23.008 -9.829 18.442 1.00 0.00 C ATOM 864 O PRO A 62 23.567 -9.575 19.489 1.00 0.00 O ATOM 865 CB PRO A 62 21.852 -11.606 17.115 1.00 0.00 C ATOM 866 CG PRO A 62 21.052 -10.862 16.083 1.00 0.00 C ATOM 867 CD PRO A 62 20.217 -9.822 16.791 1.00 0.00 C ATOM 0 HA PRO A 62 21.805 -11.341 19.306 1.00 0.00 H new ATOM 0 HB2 PRO A 62 22.882 -11.745 16.785 1.00 0.00 H new ATOM 0 HB3 PRO A 62 21.437 -12.599 17.289 1.00 0.00 H new ATOM 0 HG2 PRO A 62 21.714 -10.388 15.358 1.00 0.00 H new ATOM 0 HG3 PRO A 62 20.413 -11.550 15.529 1.00 0.00 H new ATOM 0 HD2 PRO A 62 20.453 -8.818 16.440 1.00 0.00 H new ATOM 0 HD3 PRO A 62 19.153 -9.980 16.614 1.00 0.00 H new ATOM 875 N HIS A 63 23.420 -9.339 17.306 1.00 0.00 N ATOM 876 CA HIS A 63 24.603 -8.437 17.245 1.00 0.00 C ATOM 877 C HIS A 63 25.001 -8.226 15.784 1.00 0.00 C ATOM 878 O HIS A 63 25.250 -9.179 15.073 1.00 0.00 O ATOM 879 CB HIS A 63 25.709 -9.195 17.973 1.00 0.00 C ATOM 880 CG HIS A 63 26.018 -8.526 19.285 1.00 0.00 C ATOM 881 ND1 HIS A 63 27.263 -8.619 19.889 1.00 0.00 N ATOM 882 CD2 HIS A 63 25.254 -7.755 20.123 1.00 0.00 C ATOM 883 CE1 HIS A 63 27.210 -7.920 21.038 1.00 0.00 C ATOM 884 NE2 HIS A 63 26.008 -7.373 21.229 1.00 0.00 N ATOM 0 H HIS A 63 22.981 -9.528 16.405 1.00 0.00 H new ATOM 0 HA HIS A 63 24.410 -7.460 17.688 1.00 0.00 H new ATOM 0 HB2 HIS A 63 25.401 -10.226 18.146 1.00 0.00 H new ATOM 0 HB3 HIS A 63 26.605 -9.230 17.354 1.00 0.00 H new ATOM 0 HD1 HIS A 63 28.072 -9.125 19.528 1.00 0.00 H new ATOM 0 HD2 HIS A 63 24.223 -7.485 19.951 1.00 0.00 H new ATOM 0 HE1 HIS A 63 28.039 -7.815 21.722 1.00 0.00 H new ATOM 892 N PRO A 64 25.055 -6.990 15.377 1.00 0.00 N ATOM 893 CA PRO A 64 25.435 -6.687 13.983 1.00 0.00 C ATOM 894 C PRO A 64 26.944 -6.853 13.814 1.00 0.00 C ATOM 895 O PRO A 64 27.674 -5.893 13.668 1.00 0.00 O ATOM 896 CB PRO A 64 25.028 -5.233 13.806 1.00 0.00 C ATOM 897 CG PRO A 64 25.039 -4.651 15.185 1.00 0.00 C ATOM 898 CD PRO A 64 24.777 -5.778 16.155 1.00 0.00 C ATOM 0 HA PRO A 64 24.963 -7.343 13.251 1.00 0.00 H new ATOM 0 HB2 PRO A 64 25.722 -4.707 13.151 1.00 0.00 H new ATOM 0 HB3 PRO A 64 24.040 -5.153 13.353 1.00 0.00 H new ATOM 0 HG2 PRO A 64 25.999 -4.180 15.395 1.00 0.00 H new ATOM 0 HG3 PRO A 64 24.277 -3.878 15.281 1.00 0.00 H new ATOM 0 HD2 PRO A 64 25.423 -5.709 17.030 1.00 0.00 H new ATOM 0 HD3 PRO A 64 23.749 -5.763 16.516 1.00 0.00 H new ATOM 906 N THR A 65 27.416 -8.066 13.841 1.00 0.00 N ATOM 907 CA THR A 65 28.882 -8.298 13.691 1.00 0.00 C ATOM 908 C THR A 65 29.231 -8.457 12.220 1.00 0.00 C ATOM 909 O THR A 65 28.395 -8.309 11.352 1.00 0.00 O ATOM 910 CB THR A 65 29.189 -9.607 14.430 1.00 0.00 C ATOM 911 OG1 THR A 65 29.068 -10.695 13.524 1.00 0.00 O ATOM 912 CG2 THR A 65 28.214 -9.804 15.587 1.00 0.00 C ATOM 0 H THR A 65 26.853 -8.908 13.960 1.00 0.00 H new ATOM 0 HA THR A 65 29.457 -7.463 14.092 1.00 0.00 H new ATOM 0 HB THR A 65 30.203 -9.561 14.826 1.00 0.00 H new ATOM 0 HG1 THR A 65 29.265 -11.533 13.992 1.00 0.00 H new ATOM 0 HG21 THR A 65 28.444 -10.737 16.102 1.00 0.00 H new ATOM 0 HG22 THR A 65 28.305 -8.972 16.285 1.00 0.00 H new ATOM 0 HG23 THR A 65 27.195 -9.844 15.201 1.00 0.00 H new ATOM 920 N ILE A 66 30.458 -8.773 11.930 1.00 0.00 N ATOM 921 CA ILE A 66 30.844 -8.956 10.511 1.00 0.00 C ATOM 922 C ILE A 66 32.329 -9.324 10.410 1.00 0.00 C ATOM 923 O ILE A 66 33.073 -9.224 11.365 1.00 0.00 O ATOM 924 CB ILE A 66 30.536 -7.612 9.815 1.00 0.00 C ATOM 925 CG1 ILE A 66 31.509 -7.374 8.657 1.00 0.00 C ATOM 926 CG2 ILE A 66 30.655 -6.455 10.804 1.00 0.00 C ATOM 927 CD1 ILE A 66 31.126 -6.081 7.939 1.00 0.00 C ATOM 0 H ILE A 66 31.205 -8.912 12.610 1.00 0.00 H new ATOM 0 HA ILE A 66 30.295 -9.769 10.035 1.00 0.00 H new ATOM 0 HB ILE A 66 29.516 -7.660 9.433 1.00 0.00 H new ATOM 0 HG12 ILE A 66 32.530 -7.307 9.032 1.00 0.00 H new ATOM 0 HG13 ILE A 66 31.479 -8.213 7.962 1.00 0.00 H new ATOM 0 HG21 ILE A 66 30.434 -5.517 10.295 1.00 0.00 H new ATOM 0 HG22 ILE A 66 29.947 -6.600 11.620 1.00 0.00 H new ATOM 0 HG23 ILE A 66 31.668 -6.421 11.204 1.00 0.00 H new ATOM 0 HD11 ILE A 66 31.815 -5.906 7.113 1.00 0.00 H new ATOM 0 HD12 ILE A 66 30.110 -6.167 7.552 1.00 0.00 H new ATOM 0 HD13 ILE A 66 31.179 -5.247 8.639 1.00 0.00 H new ATOM 939 N SER A 67 32.754 -9.758 9.256 1.00 0.00 N ATOM 940 CA SER A 67 34.182 -10.149 9.078 1.00 0.00 C ATOM 941 C SER A 67 35.087 -8.913 9.060 1.00 0.00 C ATOM 942 O SER A 67 35.281 -8.288 8.036 1.00 0.00 O ATOM 943 CB SER A 67 34.225 -10.864 7.729 1.00 0.00 C ATOM 944 OG SER A 67 35.534 -11.374 7.509 1.00 0.00 O ATOM 0 H SER A 67 32.172 -9.859 8.425 1.00 0.00 H new ATOM 0 HA SER A 67 34.538 -10.780 9.892 1.00 0.00 H new ATOM 0 HB2 SER A 67 33.498 -11.676 7.712 1.00 0.00 H new ATOM 0 HB3 SER A 67 33.952 -10.175 6.930 1.00 0.00 H new ATOM 0 HG SER A 67 35.565 -11.835 6.645 1.00 0.00 H new ATOM 950 N ASN A 68 35.652 -8.567 10.184 1.00 0.00 N ATOM 951 CA ASN A 68 36.559 -7.382 10.239 1.00 0.00 C ATOM 952 C ASN A 68 35.936 -6.184 9.519 1.00 0.00 C ATOM 953 O ASN A 68 36.596 -5.480 8.780 1.00 0.00 O ATOM 954 CB ASN A 68 37.831 -7.834 9.524 1.00 0.00 C ATOM 955 CG ASN A 68 38.641 -8.738 10.457 1.00 0.00 C ATOM 956 OD1 ASN A 68 38.634 -8.552 11.657 1.00 0.00 O ATOM 957 ND2 ASN A 68 39.341 -9.717 9.953 1.00 0.00 N ATOM 0 H ASN A 68 35.525 -9.055 11.071 1.00 0.00 H new ATOM 0 HA ASN A 68 36.750 -7.060 11.263 1.00 0.00 H new ATOM 0 HB2 ASN A 68 37.577 -8.370 8.609 1.00 0.00 H new ATOM 0 HB3 ASN A 68 38.425 -6.968 9.232 1.00 0.00 H new ATOM 0 HD21 ASN A 68 39.882 -10.326 10.567 1.00 0.00 H new ATOM 0 HD22 ASN A 68 39.347 -9.873 8.945 1.00 0.00 H new ATOM 964 N GLY A 69 34.674 -5.941 9.733 1.00 0.00 N ATOM 965 CA GLY A 69 34.014 -4.784 9.066 1.00 0.00 C ATOM 966 C GLY A 69 32.863 -4.289 9.942 1.00 0.00 C ATOM 967 O GLY A 69 31.847 -3.835 9.453 1.00 0.00 O ATOM 0 H GLY A 69 34.070 -6.494 10.341 1.00 0.00 H new ATOM 0 HA2 GLY A 69 34.735 -3.982 8.904 1.00 0.00 H new ATOM 0 HA3 GLY A 69 33.640 -5.079 8.086 1.00 0.00 H new ATOM 971 N TYR A 70 33.016 -4.398 11.235 1.00 0.00 N ATOM 972 CA TYR A 70 31.944 -3.957 12.176 1.00 0.00 C ATOM 973 C TYR A 70 31.362 -2.610 11.802 1.00 0.00 C ATOM 974 O TYR A 70 31.690 -2.011 10.804 1.00 0.00 O ATOM 975 CB TYR A 70 32.608 -3.843 13.547 1.00 0.00 C ATOM 976 CG TYR A 70 33.505 -2.621 13.592 1.00 0.00 C ATOM 977 CD1 TYR A 70 34.563 -2.481 12.681 1.00 0.00 C ATOM 978 CD2 TYR A 70 33.275 -1.624 14.549 1.00 0.00 C ATOM 979 CE1 TYR A 70 35.385 -1.348 12.731 1.00 0.00 C ATOM 980 CE2 TYR A 70 34.098 -0.493 14.597 1.00 0.00 C ATOM 981 CZ TYR A 70 35.153 -0.356 13.689 1.00 0.00 C ATOM 982 OH TYR A 70 35.964 0.759 13.737 1.00 0.00 O ATOM 0 H TYR A 70 33.849 -4.779 11.685 1.00 0.00 H new ATOM 0 HA TYR A 70 31.122 -4.673 12.154 1.00 0.00 H new ATOM 0 HB2 TYR A 70 31.846 -3.773 14.324 1.00 0.00 H new ATOM 0 HB3 TYR A 70 33.192 -4.740 13.753 1.00 0.00 H new ATOM 0 HD1 TYR A 70 34.744 -3.247 11.941 1.00 0.00 H new ATOM 0 HD2 TYR A 70 32.461 -1.728 15.251 1.00 0.00 H new ATOM 0 HE1 TYR A 70 36.199 -1.240 12.029 1.00 0.00 H new ATOM 0 HE2 TYR A 70 33.918 0.274 15.335 1.00 0.00 H new ATOM 0 HH TYR A 70 35.665 1.350 14.460 1.00 0.00 H new ATOM 992 N LEU A 71 30.501 -2.136 12.642 1.00 0.00 N ATOM 993 CA LEU A 71 29.861 -0.812 12.402 1.00 0.00 C ATOM 994 C LEU A 71 30.409 0.233 13.381 1.00 0.00 C ATOM 995 O LEU A 71 31.094 -0.088 14.331 1.00 0.00 O ATOM 996 CB LEU A 71 28.340 -1.028 12.577 1.00 0.00 C ATOM 997 CG LEU A 71 27.990 -1.802 13.863 1.00 0.00 C ATOM 998 CD1 LEU A 71 28.088 -3.302 13.600 1.00 0.00 C ATOM 999 CD2 LEU A 71 28.917 -1.414 15.020 1.00 0.00 C ATOM 0 H LEU A 71 30.205 -2.609 13.496 1.00 0.00 H new ATOM 0 HA LEU A 71 30.076 -0.433 11.403 1.00 0.00 H new ATOM 0 HB2 LEU A 71 27.840 -0.060 12.594 1.00 0.00 H new ATOM 0 HB3 LEU A 71 27.953 -1.571 11.715 1.00 0.00 H new ATOM 0 HG LEU A 71 26.971 -1.543 14.149 1.00 0.00 H new ATOM 0 HD11 LEU A 71 27.840 -3.848 14.510 1.00 0.00 H new ATOM 0 HD12 LEU A 71 27.391 -3.579 12.809 1.00 0.00 H new ATOM 0 HD13 LEU A 71 29.103 -3.552 13.292 1.00 0.00 H new ATOM 0 HD21 LEU A 71 28.642 -1.978 15.911 1.00 0.00 H new ATOM 0 HD22 LEU A 71 29.949 -1.640 14.751 1.00 0.00 H new ATOM 0 HD23 LEU A 71 28.820 -0.347 15.222 1.00 0.00 H new ATOM 1011 N SER A 72 30.128 1.484 13.150 1.00 0.00 N ATOM 1012 CA SER A 72 30.647 2.537 14.067 1.00 0.00 C ATOM 1013 C SER A 72 29.677 3.723 14.106 1.00 0.00 C ATOM 1014 O SER A 72 30.013 4.799 14.561 1.00 0.00 O ATOM 1015 CB SER A 72 31.988 2.960 13.468 1.00 0.00 C ATOM 1016 OG SER A 72 32.862 3.367 14.514 1.00 0.00 O ATOM 0 H SER A 72 29.564 1.823 12.370 1.00 0.00 H new ATOM 0 HA SER A 72 30.755 2.179 15.091 1.00 0.00 H new ATOM 0 HB2 SER A 72 32.428 2.132 12.912 1.00 0.00 H new ATOM 0 HB3 SER A 72 31.842 3.777 12.761 1.00 0.00 H new ATOM 0 HG SER A 72 33.724 3.638 14.134 1.00 0.00 H new ATOM 1022 N SER A 73 28.477 3.534 13.625 1.00 0.00 N ATOM 1023 CA SER A 73 27.485 4.648 13.626 1.00 0.00 C ATOM 1024 C SER A 73 26.586 4.566 14.862 1.00 0.00 C ATOM 1025 O SER A 73 26.475 5.506 15.625 1.00 0.00 O ATOM 1026 CB SER A 73 26.665 4.448 12.352 1.00 0.00 C ATOM 1027 OG SER A 73 26.898 5.536 11.466 1.00 0.00 O ATOM 0 H SER A 73 28.141 2.655 13.231 1.00 0.00 H new ATOM 0 HA SER A 73 27.967 5.625 13.654 1.00 0.00 H new ATOM 0 HB2 SER A 73 26.940 3.509 11.873 1.00 0.00 H new ATOM 0 HB3 SER A 73 25.604 4.383 12.595 1.00 0.00 H new ATOM 0 HG SER A 73 26.374 5.409 10.647 1.00 0.00 H new ATOM 1033 N GLY A 74 25.942 3.453 15.062 1.00 0.00 N ATOM 1034 CA GLY A 74 25.048 3.310 16.245 1.00 0.00 C ATOM 1035 C GLY A 74 24.949 1.837 16.645 1.00 0.00 C ATOM 1036 O GLY A 74 24.077 1.118 16.198 1.00 0.00 O ATOM 0 H GLY A 74 25.995 2.634 14.457 1.00 0.00 H new ATOM 0 HA2 GLY A 74 25.435 3.897 17.078 1.00 0.00 H new ATOM 0 HA3 GLY A 74 24.057 3.701 16.013 1.00 0.00 H new ATOM 1040 N PHE A 75 25.834 1.384 17.486 1.00 0.00 N ATOM 1041 CA PHE A 75 25.794 -0.041 17.922 1.00 0.00 C ATOM 1042 C PHE A 75 25.354 -0.121 19.386 1.00 0.00 C ATOM 1043 O PHE A 75 25.389 0.856 20.107 1.00 0.00 O ATOM 1044 CB PHE A 75 27.230 -0.538 17.740 1.00 0.00 C ATOM 1045 CG PHE A 75 27.471 -1.779 18.572 1.00 0.00 C ATOM 1046 CD1 PHE A 75 27.585 -1.683 19.966 1.00 0.00 C ATOM 1047 CD2 PHE A 75 27.590 -3.026 17.946 1.00 0.00 C ATOM 1048 CE1 PHE A 75 27.814 -2.833 20.731 1.00 0.00 C ATOM 1049 CE2 PHE A 75 27.819 -4.176 18.712 1.00 0.00 C ATOM 1050 CZ PHE A 75 27.931 -4.080 20.104 1.00 0.00 C ATOM 0 H PHE A 75 26.586 1.940 17.892 1.00 0.00 H new ATOM 0 HA PHE A 75 25.087 -0.645 17.353 1.00 0.00 H new ATOM 0 HB2 PHE A 75 27.415 -0.757 16.688 1.00 0.00 H new ATOM 0 HB3 PHE A 75 27.931 0.244 18.031 1.00 0.00 H new ATOM 0 HD1 PHE A 75 27.496 -0.722 20.450 1.00 0.00 H new ATOM 0 HD2 PHE A 75 27.505 -3.101 16.872 1.00 0.00 H new ATOM 0 HE1 PHE A 75 27.900 -2.759 21.805 1.00 0.00 H new ATOM 0 HE2 PHE A 75 27.909 -5.137 18.228 1.00 0.00 H new ATOM 0 HZ PHE A 75 28.108 -4.967 20.694 1.00 0.00 H new ATOM 1060 N LYS A 76 24.936 -1.272 19.831 1.00 0.00 N ATOM 1061 CA LYS A 76 24.490 -1.401 21.248 1.00 0.00 C ATOM 1062 C LYS A 76 24.532 -2.866 21.691 1.00 0.00 C ATOM 1063 O LYS A 76 24.453 -3.773 20.886 1.00 0.00 O ATOM 1064 CB LYS A 76 23.051 -0.884 21.253 1.00 0.00 C ATOM 1065 CG LYS A 76 22.815 -0.039 22.506 1.00 0.00 C ATOM 1066 CD LYS A 76 21.468 -0.414 23.127 1.00 0.00 C ATOM 1067 CE LYS A 76 21.296 0.320 24.459 1.00 0.00 C ATOM 1068 NZ LYS A 76 20.825 -0.722 25.411 1.00 0.00 N ATOM 0 H LYS A 76 24.883 -2.127 19.278 1.00 0.00 H new ATOM 0 HA LYS A 76 25.131 -0.846 21.934 1.00 0.00 H new ATOM 0 HB2 LYS A 76 22.865 -0.288 20.360 1.00 0.00 H new ATOM 0 HB3 LYS A 76 22.353 -1.721 21.229 1.00 0.00 H new ATOM 0 HG2 LYS A 76 23.618 -0.203 23.225 1.00 0.00 H new ATOM 0 HG3 LYS A 76 22.828 1.021 22.251 1.00 0.00 H new ATOM 0 HD2 LYS A 76 20.657 -0.151 22.448 1.00 0.00 H new ATOM 0 HD3 LYS A 76 21.416 -1.491 23.284 1.00 0.00 H new ATOM 0 HE2 LYS A 76 22.235 0.763 24.791 1.00 0.00 H new ATOM 0 HE3 LYS A 76 20.574 1.132 24.373 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 20.683 -0.296 26.349 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 19.926 -1.121 25.072 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 21.536 -1.478 25.478 1.00 0.00 H new ATOM 1082 N ARG A 77 24.654 -3.104 22.969 1.00 0.00 N ATOM 1083 CA ARG A 77 24.698 -4.509 23.468 1.00 0.00 C ATOM 1084 C ARG A 77 23.448 -5.264 23.017 1.00 0.00 C ATOM 1085 O ARG A 77 23.506 -6.419 22.641 1.00 0.00 O ATOM 1086 CB ARG A 77 24.727 -4.387 24.992 1.00 0.00 C ATOM 1087 CG ARG A 77 26.080 -3.830 25.437 1.00 0.00 C ATOM 1088 CD ARG A 77 26.026 -3.490 26.928 1.00 0.00 C ATOM 1089 NE ARG A 77 26.518 -4.714 27.618 1.00 0.00 N ATOM 1090 CZ ARG A 77 27.559 -4.648 28.402 1.00 0.00 C ATOM 1091 NH1 ARG A 77 28.760 -4.746 27.901 1.00 0.00 N ATOM 1092 NH2 ARG A 77 27.400 -4.484 29.687 1.00 0.00 N ATOM 0 H ARG A 77 24.725 -2.386 23.690 1.00 0.00 H new ATOM 0 HA ARG A 77 25.559 -5.058 23.086 1.00 0.00 H new ATOM 0 HB2 ARG A 77 23.924 -3.732 25.330 1.00 0.00 H new ATOM 0 HB3 ARG A 77 24.556 -5.362 25.448 1.00 0.00 H new ATOM 0 HG2 ARG A 77 26.866 -4.561 25.248 1.00 0.00 H new ATOM 0 HG3 ARG A 77 26.327 -2.940 24.859 1.00 0.00 H new ATOM 0 HD2 ARG A 77 26.651 -2.628 27.159 1.00 0.00 H new ATOM 0 HD3 ARG A 77 25.012 -3.241 27.240 1.00 0.00 H new ATOM 0 HE ARG A 77 26.041 -5.605 27.478 1.00 0.00 H new ATOM 0 HH11 ARG A 77 28.885 -4.874 26.897 1.00 0.00 H new ATOM 0 HH12 ARG A 77 29.574 -4.694 28.514 1.00 0.00 H new ATOM 0 HH21 ARG A 77 26.461 -4.407 30.079 1.00 0.00 H new ATOM 0 HH22 ARG A 77 28.214 -4.433 30.299 1.00 0.00 H new ATOM 1106 N SER A 78 22.318 -4.618 23.054 1.00 0.00 N ATOM 1107 CA SER A 78 21.055 -5.287 22.630 1.00 0.00 C ATOM 1108 C SER A 78 20.220 -4.337 21.768 1.00 0.00 C ATOM 1109 O SER A 78 19.943 -3.218 22.153 1.00 0.00 O ATOM 1110 CB SER A 78 20.326 -5.613 23.935 1.00 0.00 C ATOM 1111 OG SER A 78 18.930 -5.708 23.684 1.00 0.00 O ATOM 0 H SER A 78 22.213 -3.651 23.361 1.00 0.00 H new ATOM 0 HA SER A 78 21.237 -6.180 22.031 1.00 0.00 H new ATOM 0 HB2 SER A 78 20.697 -6.551 24.347 1.00 0.00 H new ATOM 0 HB3 SER A 78 20.522 -4.839 24.677 1.00 0.00 H new ATOM 0 HG SER A 78 18.461 -5.918 24.518 1.00 0.00 H new ATOM 1117 N TYR A 79 19.816 -4.770 20.604 1.00 0.00 N ATOM 1118 CA TYR A 79 19.000 -3.884 19.724 1.00 0.00 C ATOM 1119 C TYR A 79 17.527 -4.285 19.791 1.00 0.00 C ATOM 1120 O TYR A 79 17.038 -4.729 20.811 1.00 0.00 O ATOM 1121 CB TYR A 79 19.542 -4.105 18.310 1.00 0.00 C ATOM 1122 CG TYR A 79 21.049 -4.047 18.325 1.00 0.00 C ATOM 1123 CD1 TYR A 79 21.790 -5.175 18.696 1.00 0.00 C ATOM 1124 CD2 TYR A 79 21.705 -2.865 17.965 1.00 0.00 C ATOM 1125 CE1 TYR A 79 23.188 -5.120 18.706 1.00 0.00 C ATOM 1126 CE2 TYR A 79 23.103 -2.811 17.975 1.00 0.00 C ATOM 1127 CZ TYR A 79 23.843 -3.938 18.346 1.00 0.00 C ATOM 1128 OH TYR A 79 25.221 -3.886 18.358 1.00 0.00 O ATOM 0 H TYR A 79 20.015 -5.696 20.225 1.00 0.00 H new ATOM 0 HA TYR A 79 19.066 -2.839 20.027 1.00 0.00 H new ATOM 0 HB2 TYR A 79 19.210 -5.071 17.930 1.00 0.00 H new ATOM 0 HB3 TYR A 79 19.146 -3.345 17.636 1.00 0.00 H new ATOM 0 HD1 TYR A 79 21.283 -6.087 18.974 1.00 0.00 H new ATOM 0 HD2 TYR A 79 21.133 -1.995 17.680 1.00 0.00 H new ATOM 0 HE1 TYR A 79 23.761 -5.990 18.992 1.00 0.00 H new ATOM 0 HE2 TYR A 79 23.610 -1.899 17.696 1.00 0.00 H new ATOM 0 HH TYR A 79 25.523 -3.094 17.867 1.00 0.00 H new ATOM 1138 N SER A 80 16.817 -4.132 18.709 1.00 0.00 N ATOM 1139 CA SER A 80 15.376 -4.503 18.703 1.00 0.00 C ATOM 1140 C SER A 80 14.897 -4.710 17.253 1.00 0.00 C ATOM 1141 O SER A 80 15.404 -5.558 16.547 1.00 0.00 O ATOM 1142 CB SER A 80 14.669 -3.315 19.356 1.00 0.00 C ATOM 1143 OG SER A 80 14.993 -2.127 18.644 1.00 0.00 O ATOM 0 H SER A 80 17.174 -3.765 17.827 1.00 0.00 H new ATOM 0 HA SER A 80 15.173 -5.433 19.234 1.00 0.00 H new ATOM 0 HB2 SER A 80 13.590 -3.472 19.353 1.00 0.00 H new ATOM 0 HB3 SER A 80 14.975 -3.223 20.398 1.00 0.00 H new ATOM 0 HG SER A 80 15.966 -2.012 18.625 1.00 0.00 H new ATOM 1149 N TYR A 81 13.925 -3.949 16.800 1.00 0.00 N ATOM 1150 CA TYR A 81 13.430 -4.124 15.399 1.00 0.00 C ATOM 1151 C TYR A 81 13.854 -2.930 14.523 1.00 0.00 C ATOM 1152 O TYR A 81 13.138 -2.514 13.633 1.00 0.00 O ATOM 1153 CB TYR A 81 11.901 -4.233 15.526 1.00 0.00 C ATOM 1154 CG TYR A 81 11.237 -2.897 15.302 1.00 0.00 C ATOM 1155 CD1 TYR A 81 11.588 -1.800 16.094 1.00 0.00 C ATOM 1156 CD2 TYR A 81 10.268 -2.762 14.303 1.00 0.00 C ATOM 1157 CE1 TYR A 81 10.969 -0.562 15.886 1.00 0.00 C ATOM 1158 CE2 TYR A 81 9.648 -1.526 14.093 1.00 0.00 C ATOM 1159 CZ TYR A 81 9.998 -0.425 14.885 1.00 0.00 C ATOM 1160 OH TYR A 81 9.385 0.795 14.678 1.00 0.00 O ATOM 0 H TYR A 81 13.457 -3.219 17.338 1.00 0.00 H new ATOM 0 HA TYR A 81 13.847 -5.007 14.915 1.00 0.00 H new ATOM 0 HB2 TYR A 81 11.524 -4.955 14.802 1.00 0.00 H new ATOM 0 HB3 TYR A 81 11.642 -4.609 16.516 1.00 0.00 H new ATOM 0 HD1 TYR A 81 12.336 -1.908 16.866 1.00 0.00 H new ATOM 0 HD2 TYR A 81 9.998 -3.612 13.694 1.00 0.00 H new ATOM 0 HE1 TYR A 81 11.239 0.287 16.496 1.00 0.00 H new ATOM 0 HE2 TYR A 81 8.900 -1.421 13.321 1.00 0.00 H new ATOM 0 HH TYR A 81 8.738 0.716 13.946 1.00 0.00 H new ATOM 1170 N ASN A 82 15.019 -2.389 14.762 1.00 0.00 N ATOM 1171 CA ASN A 82 15.494 -1.237 13.940 1.00 0.00 C ATOM 1172 C ASN A 82 16.970 -0.946 14.235 1.00 0.00 C ATOM 1173 O ASN A 82 17.837 -1.713 13.866 1.00 0.00 O ATOM 1174 CB ASN A 82 14.596 -0.055 14.332 1.00 0.00 C ATOM 1175 CG ASN A 82 14.315 -0.073 15.841 1.00 0.00 C ATOM 1176 OD1 ASN A 82 13.325 0.471 16.288 1.00 0.00 O ATOM 1177 ND2 ASN A 82 15.145 -0.674 16.650 1.00 0.00 N ATOM 0 H ASN A 82 15.663 -2.695 15.491 1.00 0.00 H new ATOM 0 HA ASN A 82 15.430 -1.438 12.871 1.00 0.00 H new ATOM 0 HB2 ASN A 82 15.078 0.883 14.057 1.00 0.00 H new ATOM 0 HB3 ASN A 82 13.657 -0.105 13.780 1.00 0.00 H new ATOM 0 HD21 ASN A 82 14.961 -0.686 17.653 1.00 0.00 H new ATOM 0 HD22 ASN A 82 15.977 -1.132 16.279 1.00 0.00 H new ATOM 1184 N ASP A 83 17.271 0.145 14.886 1.00 0.00 N ATOM 1185 CA ASP A 83 18.697 0.458 15.181 1.00 0.00 C ATOM 1186 C ASP A 83 19.555 0.168 13.950 1.00 0.00 C ATOM 1187 O ASP A 83 20.256 -0.823 13.887 1.00 0.00 O ATOM 1188 CB ASP A 83 19.082 -0.467 16.337 1.00 0.00 C ATOM 1189 CG ASP A 83 17.967 -0.478 17.384 1.00 0.00 C ATOM 1190 OD1 ASP A 83 17.771 0.543 18.024 1.00 0.00 O ATOM 1191 OD2 ASP A 83 17.328 -1.507 17.531 1.00 0.00 O ATOM 0 H ASP A 83 16.595 0.829 15.224 1.00 0.00 H new ATOM 0 HA ASP A 83 18.848 1.506 15.440 1.00 0.00 H new ATOM 0 HB2 ASP A 83 19.254 -1.477 15.965 1.00 0.00 H new ATOM 0 HB3 ASP A 83 20.015 -0.130 16.789 1.00 0.00 H new ATOM 1196 N ASN A 84 19.498 1.020 12.965 1.00 0.00 N ATOM 1197 CA ASN A 84 20.303 0.785 11.736 1.00 0.00 C ATOM 1198 C ASN A 84 21.794 0.968 12.037 1.00 0.00 C ATOM 1199 O ASN A 84 22.222 2.028 12.450 1.00 0.00 O ATOM 1200 CB ASN A 84 19.830 1.847 10.743 1.00 0.00 C ATOM 1201 CG ASN A 84 19.980 3.234 11.370 1.00 0.00 C ATOM 1202 OD1 ASN A 84 21.058 3.795 11.382 1.00 0.00 O ATOM 1203 ND2 ASN A 84 18.938 3.815 11.898 1.00 0.00 N ATOM 0 H ASN A 84 18.930 1.867 12.958 1.00 0.00 H new ATOM 0 HA ASN A 84 20.175 -0.226 11.348 1.00 0.00 H new ATOM 0 HB2 ASN A 84 20.413 1.787 9.824 1.00 0.00 H new ATOM 0 HB3 ASN A 84 18.789 1.669 10.472 1.00 0.00 H new ATOM 0 HD21 ASN A 84 19.029 4.739 12.320 1.00 0.00 H new ATOM 0 HD22 ASN A 84 18.033 3.345 11.889 1.00 0.00 H new ATOM 1210 N VAL A 85 22.595 -0.046 11.835 1.00 0.00 N ATOM 1211 CA VAL A 85 24.053 0.104 12.116 1.00 0.00 C ATOM 1212 C VAL A 85 24.861 0.153 10.816 1.00 0.00 C ATOM 1213 O VAL A 85 24.891 -0.792 10.054 1.00 0.00 O ATOM 1214 CB VAL A 85 24.456 -1.118 12.933 1.00 0.00 C ATOM 1215 CG1 VAL A 85 23.659 -1.148 14.237 1.00 0.00 C ATOM 1216 CG2 VAL A 85 24.178 -2.394 12.142 1.00 0.00 C ATOM 0 H VAL A 85 22.306 -0.962 11.491 1.00 0.00 H new ATOM 0 HA VAL A 85 24.250 1.033 12.651 1.00 0.00 H new ATOM 0 HB VAL A 85 25.522 -1.059 13.154 1.00 0.00 H new ATOM 0 HG11 VAL A 85 23.948 -2.022 14.820 1.00 0.00 H new ATOM 0 HG12 VAL A 85 23.866 -0.245 14.811 1.00 0.00 H new ATOM 0 HG13 VAL A 85 22.594 -1.199 14.011 1.00 0.00 H new ATOM 0 HG21 VAL A 85 24.470 -3.261 12.735 1.00 0.00 H new ATOM 0 HG22 VAL A 85 23.115 -2.454 11.910 1.00 0.00 H new ATOM 0 HG23 VAL A 85 24.751 -2.379 11.215 1.00 0.00 H new ATOM 1226 N ASP A 86 25.541 1.240 10.576 1.00 0.00 N ATOM 1227 CA ASP A 86 26.376 1.342 9.342 1.00 0.00 C ATOM 1228 C ASP A 86 27.651 0.537 9.565 1.00 0.00 C ATOM 1229 O ASP A 86 28.256 0.606 10.615 1.00 0.00 O ATOM 1230 CB ASP A 86 26.692 2.829 9.186 1.00 0.00 C ATOM 1231 CG ASP A 86 27.558 3.041 7.942 1.00 0.00 C ATOM 1232 OD1 ASP A 86 28.544 2.335 7.802 1.00 0.00 O ATOM 1233 OD2 ASP A 86 27.221 3.905 7.149 1.00 0.00 O ATOM 0 H ASP A 86 25.556 2.062 11.179 1.00 0.00 H new ATOM 0 HA ASP A 86 25.880 0.956 8.451 1.00 0.00 H new ATOM 0 HB2 ASP A 86 25.768 3.401 9.100 1.00 0.00 H new ATOM 0 HB3 ASP A 86 27.212 3.196 10.071 1.00 0.00 H new ATOM 1238 N PHE A 87 28.048 -0.254 8.615 1.00 0.00 N ATOM 1239 CA PHE A 87 29.260 -1.087 8.825 1.00 0.00 C ATOM 1240 C PHE A 87 30.525 -0.418 8.295 1.00 0.00 C ATOM 1241 O PHE A 87 30.608 0.003 7.158 1.00 0.00 O ATOM 1242 CB PHE A 87 28.956 -2.387 8.098 1.00 0.00 C ATOM 1243 CG PHE A 87 28.012 -3.164 8.972 1.00 0.00 C ATOM 1244 CD1 PHE A 87 26.651 -2.842 8.985 1.00 0.00 C ATOM 1245 CD2 PHE A 87 28.503 -4.173 9.803 1.00 0.00 C ATOM 1246 CE1 PHE A 87 25.781 -3.533 9.832 1.00 0.00 C ATOM 1247 CE2 PHE A 87 27.632 -4.869 10.644 1.00 0.00 C ATOM 1248 CZ PHE A 87 26.273 -4.547 10.660 1.00 0.00 C ATOM 0 H PHE A 87 27.592 -0.361 7.709 1.00 0.00 H new ATOM 0 HA PHE A 87 29.465 -1.245 9.884 1.00 0.00 H new ATOM 0 HB2 PHE A 87 28.507 -2.189 7.125 1.00 0.00 H new ATOM 0 HB3 PHE A 87 29.870 -2.952 7.919 1.00 0.00 H new ATOM 0 HD1 PHE A 87 26.273 -2.061 8.342 1.00 0.00 H new ATOM 0 HD2 PHE A 87 29.556 -4.415 9.795 1.00 0.00 H new ATOM 0 HE1 PHE A 87 24.730 -3.284 9.847 1.00 0.00 H new ATOM 0 HE2 PHE A 87 28.009 -5.655 11.281 1.00 0.00 H new ATOM 0 HZ PHE A 87 25.600 -5.083 11.314 1.00 0.00 H new ATOM 1258 N LYS A 88 31.509 -0.330 9.142 1.00 0.00 N ATOM 1259 CA LYS A 88 32.802 0.294 8.766 1.00 0.00 C ATOM 1260 C LYS A 88 33.849 -0.788 8.497 1.00 0.00 C ATOM 1261 O LYS A 88 34.303 -1.459 9.402 1.00 0.00 O ATOM 1262 CB LYS A 88 33.189 1.096 10.004 1.00 0.00 C ATOM 1263 CG LYS A 88 33.936 2.363 9.585 1.00 0.00 C ATOM 1264 CD LYS A 88 35.433 2.176 9.835 1.00 0.00 C ATOM 1265 CE LYS A 88 36.088 3.542 10.052 1.00 0.00 C ATOM 1266 NZ LYS A 88 35.726 3.926 11.444 1.00 0.00 N ATOM 0 H LYS A 88 31.468 -0.673 10.102 1.00 0.00 H new ATOM 0 HA LYS A 88 32.734 0.904 7.865 1.00 0.00 H new ATOM 0 HB2 LYS A 88 32.297 1.359 10.572 1.00 0.00 H new ATOM 0 HB3 LYS A 88 33.817 0.492 10.659 1.00 0.00 H new ATOM 0 HG2 LYS A 88 33.756 2.573 8.531 1.00 0.00 H new ATOM 0 HG3 LYS A 88 33.566 3.220 10.148 1.00 0.00 H new ATOM 0 HD2 LYS A 88 35.591 1.542 10.708 1.00 0.00 H new ATOM 0 HD3 LYS A 88 35.894 1.670 8.987 1.00 0.00 H new ATOM 0 HE2 LYS A 88 37.169 3.486 9.927 1.00 0.00 H new ATOM 0 HE3 LYS A 88 35.721 4.274 9.333 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 35.279 4.865 11.440 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 35.062 3.228 11.835 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 36.584 3.954 12.031 1.00 0.00 H new ATOM 1280 N CYS A 89 34.243 -0.964 7.269 1.00 0.00 N ATOM 1281 CA CYS A 89 35.264 -2.005 6.972 1.00 0.00 C ATOM 1282 C CYS A 89 36.524 -1.748 7.800 1.00 0.00 C ATOM 1283 O CYS A 89 37.016 -0.639 7.868 1.00 0.00 O ATOM 1284 CB CYS A 89 35.562 -1.862 5.482 1.00 0.00 C ATOM 1285 SG CYS A 89 35.582 -3.502 4.723 1.00 0.00 S ATOM 0 H CYS A 89 33.906 -0.437 6.463 1.00 0.00 H new ATOM 0 HA CYS A 89 34.916 -3.008 7.218 1.00 0.00 H new ATOM 0 HB2 CYS A 89 34.807 -1.236 5.006 1.00 0.00 H new ATOM 0 HB3 CYS A 89 36.523 -1.368 5.336 1.00 0.00 H new ATOM 1290 N LYS A 90 37.043 -2.764 8.434 1.00 0.00 N ATOM 1291 CA LYS A 90 38.270 -2.585 9.264 1.00 0.00 C ATOM 1292 C LYS A 90 39.253 -1.642 8.564 1.00 0.00 C ATOM 1293 O LYS A 90 39.471 -0.525 8.991 1.00 0.00 O ATOM 1294 CB LYS A 90 38.868 -3.987 9.388 1.00 0.00 C ATOM 1295 CG LYS A 90 38.453 -4.602 10.725 1.00 0.00 C ATOM 1296 CD LYS A 90 39.381 -4.093 11.829 1.00 0.00 C ATOM 1297 CE LYS A 90 40.422 -5.166 12.155 1.00 0.00 C ATOM 1298 NZ LYS A 90 41.699 -4.420 12.330 1.00 0.00 N ATOM 0 H LYS A 90 36.670 -3.713 8.413 1.00 0.00 H new ATOM 0 HA LYS A 90 38.050 -2.146 10.237 1.00 0.00 H new ATOM 0 HB2 LYS A 90 38.525 -4.614 8.565 1.00 0.00 H new ATOM 0 HB3 LYS A 90 39.955 -3.938 9.320 1.00 0.00 H new ATOM 0 HG2 LYS A 90 37.420 -4.339 10.953 1.00 0.00 H new ATOM 0 HG3 LYS A 90 38.500 -5.689 10.668 1.00 0.00 H new ATOM 0 HD2 LYS A 90 39.876 -3.176 11.509 1.00 0.00 H new ATOM 0 HD3 LYS A 90 38.803 -3.849 12.721 1.00 0.00 H new ATOM 0 HE2 LYS A 90 40.156 -5.712 13.060 1.00 0.00 H new ATOM 0 HE3 LYS A 90 40.499 -5.899 11.352 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 42.463 -5.088 12.556 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 41.930 -3.915 11.450 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 41.597 -3.735 13.106 1.00 0.00 H new ATOM 1312 N TYR A 91 39.844 -2.084 7.490 1.00 0.00 N ATOM 1313 CA TYR A 91 40.812 -1.216 6.755 1.00 0.00 C ATOM 1314 C TYR A 91 41.213 -1.872 5.429 1.00 0.00 C ATOM 1315 O TYR A 91 41.467 -3.059 5.365 1.00 0.00 O ATOM 1316 CB TYR A 91 42.022 -1.099 7.682 1.00 0.00 C ATOM 1317 CG TYR A 91 42.428 0.351 7.803 1.00 0.00 C ATOM 1318 CD1 TYR A 91 43.222 0.941 6.812 1.00 0.00 C ATOM 1319 CD2 TYR A 91 42.013 1.106 8.908 1.00 0.00 C ATOM 1320 CE1 TYR A 91 43.600 2.284 6.925 1.00 0.00 C ATOM 1321 CE2 TYR A 91 42.392 2.449 9.021 1.00 0.00 C ATOM 1322 CZ TYR A 91 43.185 3.038 8.029 1.00 0.00 C ATOM 1323 OH TYR A 91 43.559 4.361 8.140 1.00 0.00 O ATOM 0 H TYR A 91 39.700 -3.010 7.087 1.00 0.00 H new ATOM 0 HA TYR A 91 40.389 -0.242 6.511 1.00 0.00 H new ATOM 0 HB2 TYR A 91 41.780 -1.503 8.665 1.00 0.00 H new ATOM 0 HB3 TYR A 91 42.851 -1.688 7.290 1.00 0.00 H new ATOM 0 HD1 TYR A 91 43.543 0.360 5.960 1.00 0.00 H new ATOM 0 HD2 TYR A 91 41.401 0.652 9.673 1.00 0.00 H new ATOM 0 HE1 TYR A 91 44.212 2.739 6.160 1.00 0.00 H new ATOM 0 HE2 TYR A 91 42.073 3.030 9.873 1.00 0.00 H new ATOM 0 HH TYR A 91 43.186 4.738 8.964 1.00 0.00 H new ATOM 1333 N GLY A 92 41.271 -1.109 4.371 1.00 0.00 N ATOM 1334 CA GLY A 92 41.654 -1.689 3.051 1.00 0.00 C ATOM 1335 C GLY A 92 40.799 -2.926 2.781 1.00 0.00 C ATOM 1336 O GLY A 92 41.304 -4.016 2.608 1.00 0.00 O ATOM 0 H GLY A 92 41.070 -0.109 4.363 1.00 0.00 H new ATOM 0 HA2 GLY A 92 41.510 -0.952 2.261 1.00 0.00 H new ATOM 0 HA3 GLY A 92 42.711 -1.955 3.050 1.00 0.00 H new ATOM 1340 N TYR A 93 39.505 -2.764 2.755 1.00 0.00 N ATOM 1341 CA TYR A 93 38.607 -3.928 2.512 1.00 0.00 C ATOM 1342 C TYR A 93 37.227 -3.444 2.055 1.00 0.00 C ATOM 1343 O TYR A 93 36.796 -2.357 2.387 1.00 0.00 O ATOM 1344 CB TYR A 93 38.507 -4.624 3.867 1.00 0.00 C ATOM 1345 CG TYR A 93 39.740 -5.466 4.113 1.00 0.00 C ATOM 1346 CD1 TYR A 93 40.244 -6.292 3.100 1.00 0.00 C ATOM 1347 CD2 TYR A 93 40.373 -5.426 5.361 1.00 0.00 C ATOM 1348 CE1 TYR A 93 41.381 -7.077 3.338 1.00 0.00 C ATOM 1349 CE2 TYR A 93 41.510 -6.209 5.597 1.00 0.00 C ATOM 1350 CZ TYR A 93 42.013 -7.035 4.586 1.00 0.00 C ATOM 1351 OH TYR A 93 43.133 -7.808 4.819 1.00 0.00 O ATOM 0 H TYR A 93 39.029 -1.872 2.892 1.00 0.00 H new ATOM 0 HA TYR A 93 38.983 -4.592 1.733 1.00 0.00 H new ATOM 0 HB2 TYR A 93 38.400 -3.882 4.658 1.00 0.00 H new ATOM 0 HB3 TYR A 93 37.617 -5.252 3.897 1.00 0.00 H new ATOM 0 HD1 TYR A 93 39.757 -6.324 2.137 1.00 0.00 H new ATOM 0 HD2 TYR A 93 39.984 -4.791 6.143 1.00 0.00 H new ATOM 0 HE1 TYR A 93 41.769 -7.715 2.558 1.00 0.00 H new ATOM 0 HE2 TYR A 93 41.999 -6.175 6.560 1.00 0.00 H new ATOM 0 HH TYR A 93 43.448 -7.660 5.735 1.00 0.00 H new ATOM 1361 N LYS A 94 36.531 -4.248 1.301 1.00 0.00 N ATOM 1362 CA LYS A 94 35.177 -3.848 0.824 1.00 0.00 C ATOM 1363 C LYS A 94 34.111 -4.620 1.601 1.00 0.00 C ATOM 1364 O LYS A 94 34.283 -5.778 1.919 1.00 0.00 O ATOM 1365 CB LYS A 94 35.147 -4.235 -0.656 1.00 0.00 C ATOM 1366 CG LYS A 94 34.800 -3.007 -1.498 1.00 0.00 C ATOM 1367 CD LYS A 94 33.740 -3.381 -2.535 1.00 0.00 C ATOM 1368 CE LYS A 94 34.368 -3.382 -3.930 1.00 0.00 C ATOM 1369 NZ LYS A 94 34.258 -1.973 -4.398 1.00 0.00 N ATOM 0 H LYS A 94 36.843 -5.169 0.993 1.00 0.00 H new ATOM 0 HA LYS A 94 34.979 -2.786 0.968 1.00 0.00 H new ATOM 0 HB2 LYS A 94 36.115 -4.634 -0.958 1.00 0.00 H new ATOM 0 HB3 LYS A 94 34.412 -5.022 -0.822 1.00 0.00 H new ATOM 0 HG2 LYS A 94 34.430 -2.206 -0.857 1.00 0.00 H new ATOM 0 HG3 LYS A 94 35.694 -2.630 -1.996 1.00 0.00 H new ATOM 0 HD2 LYS A 94 33.327 -4.364 -2.310 1.00 0.00 H new ATOM 0 HD3 LYS A 94 32.913 -2.672 -2.497 1.00 0.00 H new ATOM 0 HE2 LYS A 94 35.408 -3.707 -3.895 1.00 0.00 H new ATOM 0 HE3 LYS A 94 33.843 -4.063 -4.600 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 34.668 -1.891 -5.350 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 33.257 -1.694 -4.427 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 34.773 -1.349 -3.744 1.00 0.00 H new ATOM 1383 N LEU A 95 33.014 -3.993 1.914 1.00 0.00 N ATOM 1384 CA LEU A 95 31.949 -4.705 2.677 1.00 0.00 C ATOM 1385 C LEU A 95 31.059 -5.508 1.728 1.00 0.00 C ATOM 1386 O LEU A 95 30.098 -5.001 1.184 1.00 0.00 O ATOM 1387 CB LEU A 95 31.144 -3.598 3.357 1.00 0.00 C ATOM 1388 CG LEU A 95 31.879 -3.129 4.612 1.00 0.00 C ATOM 1389 CD1 LEU A 95 32.034 -1.608 4.574 1.00 0.00 C ATOM 1390 CD2 LEU A 95 31.078 -3.528 5.853 1.00 0.00 C ATOM 0 H LEU A 95 32.807 -3.023 1.677 1.00 0.00 H new ATOM 0 HA LEU A 95 32.362 -5.413 3.396 1.00 0.00 H new ATOM 0 HB2 LEU A 95 31.004 -2.762 2.671 1.00 0.00 H new ATOM 0 HB3 LEU A 95 30.152 -3.965 3.620 1.00 0.00 H new ATOM 0 HG LEU A 95 32.864 -3.594 4.650 1.00 0.00 H new ATOM 0 HD11 LEU A 95 32.558 -1.273 5.469 1.00 0.00 H new ATOM 0 HD12 LEU A 95 32.605 -1.322 3.691 1.00 0.00 H new ATOM 0 HD13 LEU A 95 31.049 -1.143 4.535 1.00 0.00 H new ATOM 0 HD21 LEU A 95 31.603 -3.193 6.748 1.00 0.00 H new ATOM 0 HD22 LEU A 95 30.093 -3.063 5.815 1.00 0.00 H new ATOM 0 HD23 LEU A 95 30.967 -4.612 5.882 1.00 0.00 H new ATOM 1402 N SER A 96 31.365 -6.760 1.532 1.00 0.00 N ATOM 1403 CA SER A 96 30.528 -7.593 0.626 1.00 0.00 C ATOM 1404 C SER A 96 29.169 -7.857 1.278 1.00 0.00 C ATOM 1405 O SER A 96 29.044 -8.683 2.159 1.00 0.00 O ATOM 1406 CB SER A 96 31.308 -8.898 0.450 1.00 0.00 C ATOM 1407 OG SER A 96 30.468 -10.000 0.771 1.00 0.00 O ATOM 0 H SER A 96 32.157 -7.241 1.959 1.00 0.00 H new ATOM 0 HA SER A 96 30.337 -7.108 -0.331 1.00 0.00 H new ATOM 0 HB2 SER A 96 31.664 -8.986 -0.576 1.00 0.00 H new ATOM 0 HB3 SER A 96 32.188 -8.898 1.094 1.00 0.00 H new ATOM 0 HG SER A 96 30.141 -9.905 1.690 1.00 0.00 H new ATOM 1413 N GLY A 97 28.151 -7.158 0.856 1.00 0.00 N ATOM 1414 CA GLY A 97 26.806 -7.372 1.458 1.00 0.00 C ATOM 1415 C GLY A 97 26.091 -6.030 1.626 1.00 0.00 C ATOM 1416 O GLY A 97 25.426 -5.555 0.727 1.00 0.00 O ATOM 0 H GLY A 97 28.193 -6.450 0.123 1.00 0.00 H new ATOM 0 HA2 GLY A 97 26.215 -8.032 0.823 1.00 0.00 H new ATOM 0 HA3 GLY A 97 26.905 -7.865 2.425 1.00 0.00 H new ATOM 1420 N SER A 98 26.213 -5.417 2.773 1.00 0.00 N ATOM 1421 CA SER A 98 25.527 -4.110 2.993 1.00 0.00 C ATOM 1422 C SER A 98 26.288 -3.272 4.025 1.00 0.00 C ATOM 1423 O SER A 98 26.440 -3.661 5.165 1.00 0.00 O ATOM 1424 CB SER A 98 24.145 -4.488 3.519 1.00 0.00 C ATOM 1425 OG SER A 98 23.151 -3.939 2.662 1.00 0.00 O ATOM 0 H SER A 98 26.756 -5.763 3.564 1.00 0.00 H new ATOM 0 HA SER A 98 25.474 -3.509 2.085 1.00 0.00 H new ATOM 0 HB2 SER A 98 24.044 -5.572 3.564 1.00 0.00 H new ATOM 0 HB3 SER A 98 24.014 -4.113 4.534 1.00 0.00 H new ATOM 0 HG SER A 98 23.365 -4.158 1.731 1.00 0.00 H new ATOM 1431 N SER A 99 26.763 -2.119 3.632 1.00 0.00 N ATOM 1432 CA SER A 99 27.521 -1.248 4.584 1.00 0.00 C ATOM 1433 C SER A 99 26.603 -0.652 5.659 1.00 0.00 C ATOM 1434 O SER A 99 27.030 0.147 6.467 1.00 0.00 O ATOM 1435 CB SER A 99 28.113 -0.140 3.715 1.00 0.00 C ATOM 1436 OG SER A 99 28.318 -0.635 2.398 1.00 0.00 O ATOM 0 H SER A 99 26.659 -1.740 2.691 1.00 0.00 H new ATOM 0 HA SER A 99 28.283 -1.813 5.120 1.00 0.00 H new ATOM 0 HB2 SER A 99 27.442 0.718 3.693 1.00 0.00 H new ATOM 0 HB3 SER A 99 29.057 0.204 4.138 1.00 0.00 H new ATOM 0 HG SER A 99 28.696 0.074 1.837 1.00 0.00 H new ATOM 1442 N SER A 100 25.355 -1.029 5.691 1.00 0.00 N ATOM 1443 CA SER A 100 24.443 -0.478 6.731 1.00 0.00 C ATOM 1444 C SER A 100 23.207 -1.365 6.861 1.00 0.00 C ATOM 1445 O SER A 100 22.465 -1.560 5.918 1.00 0.00 O ATOM 1446 CB SER A 100 24.062 0.917 6.239 1.00 0.00 C ATOM 1447 OG SER A 100 24.728 1.896 7.023 1.00 0.00 O ATOM 0 H SER A 100 24.929 -1.693 5.044 1.00 0.00 H new ATOM 0 HA SER A 100 24.912 -0.438 7.714 1.00 0.00 H new ATOM 0 HB2 SER A 100 24.334 1.030 5.189 1.00 0.00 H new ATOM 0 HB3 SER A 100 22.983 1.055 6.306 1.00 0.00 H new ATOM 0 HG SER A 100 24.484 2.791 6.706 1.00 0.00 H new ATOM 1453 N SER A 101 22.987 -1.912 8.022 1.00 0.00 N ATOM 1454 CA SER A 101 21.807 -2.798 8.217 1.00 0.00 C ATOM 1455 C SER A 101 21.020 -2.374 9.451 1.00 0.00 C ATOM 1456 O SER A 101 21.473 -1.579 10.250 1.00 0.00 O ATOM 1457 CB SER A 101 22.391 -4.194 8.416 1.00 0.00 C ATOM 1458 OG SER A 101 22.596 -4.805 7.148 1.00 0.00 O ATOM 0 H SER A 101 23.574 -1.784 8.846 1.00 0.00 H new ATOM 0 HA SER A 101 21.119 -2.755 7.372 1.00 0.00 H new ATOM 0 HB2 SER A 101 23.334 -4.132 8.959 1.00 0.00 H new ATOM 0 HB3 SER A 101 21.715 -4.800 9.019 1.00 0.00 H new ATOM 0 HG SER A 101 22.211 -5.706 7.153 1.00 0.00 H new ATOM 1464 N THR A 102 19.842 -2.903 9.612 1.00 0.00 N ATOM 1465 CA THR A 102 19.026 -2.537 10.795 1.00 0.00 C ATOM 1466 C THR A 102 18.498 -3.794 11.484 1.00 0.00 C ATOM 1467 O THR A 102 18.117 -4.758 10.847 1.00 0.00 O ATOM 1468 CB THR A 102 17.881 -1.690 10.248 1.00 0.00 C ATOM 1469 OG1 THR A 102 18.271 -1.112 9.009 1.00 0.00 O ATOM 1470 CG2 THR A 102 17.555 -0.584 11.250 1.00 0.00 C ATOM 0 H THR A 102 19.411 -3.573 8.975 1.00 0.00 H new ATOM 0 HA THR A 102 19.604 -1.992 11.542 1.00 0.00 H new ATOM 0 HB THR A 102 17.001 -2.314 10.093 1.00 0.00 H new ATOM 0 HG1 THR A 102 17.536 -0.569 8.656 1.00 0.00 H new ATOM 0 HG21 THR A 102 16.737 0.026 10.866 1.00 0.00 H new ATOM 0 HG22 THR A 102 17.260 -1.029 12.200 1.00 0.00 H new ATOM 0 HG23 THR A 102 18.435 0.042 11.400 1.00 0.00 H new ATOM 1478 N CYS A 103 18.487 -3.785 12.783 1.00 0.00 N ATOM 1479 CA CYS A 103 18.001 -4.966 13.544 1.00 0.00 C ATOM 1480 C CYS A 103 16.479 -5.086 13.436 1.00 0.00 C ATOM 1481 O CYS A 103 15.752 -4.624 14.287 1.00 0.00 O ATOM 1482 CB CYS A 103 18.415 -4.674 14.980 1.00 0.00 C ATOM 1483 SG CYS A 103 19.355 -6.070 15.621 1.00 0.00 S ATOM 0 H CYS A 103 18.797 -3.002 13.358 1.00 0.00 H new ATOM 0 HA CYS A 103 18.410 -5.905 13.171 1.00 0.00 H new ATOM 0 HB2 CYS A 103 19.017 -3.766 15.020 1.00 0.00 H new ATOM 0 HB3 CYS A 103 17.533 -4.500 15.597 1.00 0.00 H new ATOM 1488 N SER A 104 15.996 -5.704 12.397 1.00 0.00 N ATOM 1489 CA SER A 104 14.520 -5.851 12.225 1.00 0.00 C ATOM 1490 C SER A 104 13.914 -6.675 13.352 1.00 0.00 C ATOM 1491 O SER A 104 14.615 -7.199 14.195 1.00 0.00 O ATOM 1492 CB SER A 104 14.349 -6.566 10.886 1.00 0.00 C ATOM 1493 OG SER A 104 13.498 -5.796 10.046 1.00 0.00 O ATOM 0 H SER A 104 16.560 -6.117 11.654 1.00 0.00 H new ATOM 0 HA SER A 104 14.013 -4.886 12.247 1.00 0.00 H new ATOM 0 HB2 SER A 104 15.319 -6.706 10.409 1.00 0.00 H new ATOM 0 HB3 SER A 104 13.924 -7.558 11.042 1.00 0.00 H new ATOM 0 HG SER A 104 13.388 -6.252 9.186 1.00 0.00 H new ATOM 1499 N PRO A 105 12.613 -6.742 13.327 1.00 0.00 N ATOM 1500 CA PRO A 105 11.874 -7.486 14.361 1.00 0.00 C ATOM 1501 C PRO A 105 12.044 -8.990 14.166 1.00 0.00 C ATOM 1502 O PRO A 105 11.798 -9.527 13.105 1.00 0.00 O ATOM 1503 CB PRO A 105 10.431 -7.046 14.166 1.00 0.00 C ATOM 1504 CG PRO A 105 10.344 -6.591 12.746 1.00 0.00 C ATOM 1505 CD PRO A 105 11.721 -6.136 12.333 1.00 0.00 C ATOM 0 HA PRO A 105 12.228 -7.284 15.372 1.00 0.00 H new ATOM 0 HB2 PRO A 105 9.740 -7.867 14.359 1.00 0.00 H new ATOM 0 HB3 PRO A 105 10.169 -6.241 14.853 1.00 0.00 H new ATOM 0 HG2 PRO A 105 9.999 -7.401 12.104 1.00 0.00 H new ATOM 0 HG3 PRO A 105 9.625 -5.778 12.647 1.00 0.00 H new ATOM 0 HD2 PRO A 105 11.964 -6.469 11.324 1.00 0.00 H new ATOM 0 HD3 PRO A 105 11.799 -5.049 12.338 1.00 0.00 H new ATOM 1513 N GLY A 106 12.485 -9.666 15.187 1.00 0.00 N ATOM 1514 CA GLY A 106 12.702 -11.132 15.081 1.00 0.00 C ATOM 1515 C GLY A 106 14.107 -11.455 15.595 1.00 0.00 C ATOM 1516 O GLY A 106 14.451 -12.600 15.806 1.00 0.00 O ATOM 0 H GLY A 106 12.706 -9.262 16.097 1.00 0.00 H new ATOM 0 HA2 GLY A 106 11.953 -11.669 15.664 1.00 0.00 H new ATOM 0 HA3 GLY A 106 12.594 -11.457 14.046 1.00 0.00 H new ATOM 1520 N ASN A 107 14.916 -10.435 15.794 1.00 0.00 N ATOM 1521 CA ASN A 107 16.315 -10.624 16.298 1.00 0.00 C ATOM 1522 C ASN A 107 17.250 -10.985 15.147 1.00 0.00 C ATOM 1523 O ASN A 107 17.446 -12.141 14.825 1.00 0.00 O ATOM 1524 CB ASN A 107 16.271 -11.753 17.339 1.00 0.00 C ATOM 1525 CG ASN A 107 15.037 -11.601 18.234 1.00 0.00 C ATOM 1526 OD1 ASN A 107 14.289 -10.651 18.108 1.00 0.00 O ATOM 1527 ND2 ASN A 107 14.792 -12.504 19.144 1.00 0.00 N ATOM 0 H ASN A 107 14.658 -9.463 15.624 1.00 0.00 H new ATOM 0 HA ASN A 107 16.694 -9.706 16.746 1.00 0.00 H new ATOM 0 HB2 ASN A 107 16.248 -12.720 16.836 1.00 0.00 H new ATOM 0 HB3 ASN A 107 17.175 -11.732 17.947 1.00 0.00 H new ATOM 0 HD21 ASN A 107 13.975 -12.412 19.747 1.00 0.00 H new ATOM 0 HD22 ASN A 107 15.418 -13.302 19.252 1.00 0.00 H new ATOM 1534 N THR A 108 17.833 -9.996 14.526 1.00 0.00 N ATOM 1535 CA THR A 108 18.763 -10.267 13.396 1.00 0.00 C ATOM 1536 C THR A 108 19.318 -8.959 12.838 1.00 0.00 C ATOM 1537 O THR A 108 19.203 -7.911 13.443 1.00 0.00 O ATOM 1538 CB THR A 108 17.923 -10.978 12.338 1.00 0.00 C ATOM 1539 OG1 THR A 108 16.546 -10.900 12.684 1.00 0.00 O ATOM 1540 CG2 THR A 108 18.353 -12.438 12.263 1.00 0.00 C ATOM 0 H THR A 108 17.704 -9.010 14.754 1.00 0.00 H new ATOM 0 HA THR A 108 19.615 -10.869 13.710 1.00 0.00 H new ATOM 0 HB THR A 108 18.071 -10.500 11.370 1.00 0.00 H new ATOM 0 HG1 THR A 108 16.011 -11.356 12.002 1.00 0.00 H new ATOM 0 HG21 THR A 108 17.758 -12.954 11.510 1.00 0.00 H new ATOM 0 HG22 THR A 108 19.408 -12.493 11.993 1.00 0.00 H new ATOM 0 HG23 THR A 108 18.201 -12.912 13.233 1.00 0.00 H new ATOM 1548 N TRP A 109 19.923 -9.016 11.686 1.00 0.00 N ATOM 1549 CA TRP A 109 20.492 -7.783 11.082 1.00 0.00 C ATOM 1550 C TRP A 109 20.278 -7.784 9.569 1.00 0.00 C ATOM 1551 O TRP A 109 21.074 -8.309 8.815 1.00 0.00 O ATOM 1552 CB TRP A 109 21.970 -7.829 11.441 1.00 0.00 C ATOM 1553 CG TRP A 109 22.134 -7.238 12.802 1.00 0.00 C ATOM 1554 CD1 TRP A 109 22.570 -7.896 13.904 1.00 0.00 C ATOM 1555 CD2 TRP A 109 21.855 -5.874 13.223 1.00 0.00 C ATOM 1556 NE1 TRP A 109 22.565 -7.020 14.975 1.00 0.00 N ATOM 1557 CE2 TRP A 109 22.140 -5.757 14.602 1.00 0.00 C ATOM 1558 CE3 TRP A 109 21.388 -4.738 12.541 1.00 0.00 C ATOM 1559 CZ2 TRP A 109 21.967 -4.550 15.282 1.00 0.00 C ATOM 1560 CZ3 TRP A 109 21.215 -3.523 13.219 1.00 0.00 C ATOM 1561 CH2 TRP A 109 21.504 -3.427 14.586 1.00 0.00 C ATOM 0 H TRP A 109 20.048 -9.866 11.136 1.00 0.00 H new ATOM 0 HA TRP A 109 20.018 -6.873 11.450 1.00 0.00 H new ATOM 0 HB2 TRP A 109 22.334 -8.856 11.426 1.00 0.00 H new ATOM 0 HB3 TRP A 109 22.557 -7.272 10.711 1.00 0.00 H new ATOM 0 HD1 TRP A 109 22.871 -8.932 13.940 1.00 0.00 H new ATOM 0 HE1 TRP A 109 22.841 -7.274 15.924 1.00 0.00 H new ATOM 0 HE3 TRP A 109 21.161 -4.801 11.487 1.00 0.00 H new ATOM 0 HZ2 TRP A 109 22.189 -4.483 16.337 1.00 0.00 H new ATOM 0 HZ3 TRP A 109 20.857 -2.656 12.684 1.00 0.00 H new ATOM 0 HH2 TRP A 109 21.370 -2.488 15.102 1.00 0.00 H new ATOM 1572 N LYS A 110 19.201 -7.195 9.124 1.00 0.00 N ATOM 1573 CA LYS A 110 18.920 -7.152 7.662 1.00 0.00 C ATOM 1574 C LYS A 110 19.218 -5.747 7.119 1.00 0.00 C ATOM 1575 O LYS A 110 18.912 -4.766 7.768 1.00 0.00 O ATOM 1576 CB LYS A 110 17.429 -7.470 7.534 1.00 0.00 C ATOM 1577 CG LYS A 110 17.090 -8.691 8.393 1.00 0.00 C ATOM 1578 CD LYS A 110 15.760 -9.290 7.931 1.00 0.00 C ATOM 1579 CE LYS A 110 15.878 -10.815 7.870 1.00 0.00 C ATOM 1580 NZ LYS A 110 15.348 -11.188 6.528 1.00 0.00 N ATOM 0 H LYS A 110 18.502 -6.741 9.712 1.00 0.00 H new ATOM 0 HA LYS A 110 19.533 -7.855 7.098 1.00 0.00 H new ATOM 0 HB2 LYS A 110 16.835 -6.613 7.852 1.00 0.00 H new ATOM 0 HB3 LYS A 110 17.176 -7.664 6.492 1.00 0.00 H new ATOM 0 HG2 LYS A 110 17.883 -9.435 8.314 1.00 0.00 H new ATOM 0 HG3 LYS A 110 17.026 -8.404 9.442 1.00 0.00 H new ATOM 0 HD2 LYS A 110 14.963 -9.004 8.617 1.00 0.00 H new ATOM 0 HD3 LYS A 110 15.493 -8.896 6.950 1.00 0.00 H new ATOM 0 HE2 LYS A 110 16.913 -11.136 7.989 1.00 0.00 H new ATOM 0 HE3 LYS A 110 15.304 -11.288 8.667 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 15.396 -12.220 6.411 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 14.359 -10.876 6.446 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 15.918 -10.729 5.790 1.00 0.00 H new ATOM 1594 N PRO A 111 19.803 -5.682 5.947 1.00 0.00 N ATOM 1595 CA PRO A 111 20.166 -6.903 5.177 1.00 0.00 C ATOM 1596 C PRO A 111 21.347 -7.636 5.824 1.00 0.00 C ATOM 1597 O PRO A 111 22.025 -7.112 6.686 1.00 0.00 O ATOM 1598 CB PRO A 111 20.559 -6.359 3.808 1.00 0.00 C ATOM 1599 CG PRO A 111 20.981 -4.950 4.063 1.00 0.00 C ATOM 1600 CD PRO A 111 20.176 -4.456 5.233 1.00 0.00 C ATOM 0 HA PRO A 111 19.353 -7.628 5.134 1.00 0.00 H new ATOM 0 HB2 PRO A 111 21.369 -6.941 3.369 1.00 0.00 H new ATOM 0 HB3 PRO A 111 19.722 -6.401 3.111 1.00 0.00 H new ATOM 0 HG2 PRO A 111 22.048 -4.900 4.280 1.00 0.00 H new ATOM 0 HG3 PRO A 111 20.805 -4.330 3.184 1.00 0.00 H new ATOM 0 HD2 PRO A 111 20.760 -3.787 5.866 1.00 0.00 H new ATOM 0 HD3 PRO A 111 19.297 -3.900 4.907 1.00 0.00 H new ATOM 1608 N GLU A 112 21.586 -8.850 5.407 1.00 0.00 N ATOM 1609 CA GLU A 112 22.711 -9.648 5.978 1.00 0.00 C ATOM 1610 C GLU A 112 23.934 -8.763 6.239 1.00 0.00 C ATOM 1611 O GLU A 112 24.333 -7.977 5.403 1.00 0.00 O ATOM 1612 CB GLU A 112 23.027 -10.685 4.899 1.00 0.00 C ATOM 1613 CG GLU A 112 23.311 -12.039 5.552 1.00 0.00 C ATOM 1614 CD GLU A 112 23.746 -13.039 4.479 1.00 0.00 C ATOM 1615 OE1 GLU A 112 24.332 -12.609 3.499 1.00 0.00 O ATOM 1616 OE2 GLU A 112 23.484 -14.218 4.655 1.00 0.00 O ATOM 0 H GLU A 112 21.044 -9.329 4.687 1.00 0.00 H new ATOM 0 HA GLU A 112 22.449 -10.101 6.934 1.00 0.00 H new ATOM 0 HB2 GLU A 112 22.188 -10.772 4.208 1.00 0.00 H new ATOM 0 HB3 GLU A 112 23.889 -10.364 4.314 1.00 0.00 H new ATOM 0 HG2 GLU A 112 24.091 -11.935 6.306 1.00 0.00 H new ATOM 0 HG3 GLU A 112 22.420 -12.402 6.064 1.00 0.00 H new ATOM 1623 N LEU A 113 24.540 -8.895 7.390 1.00 0.00 N ATOM 1624 CA LEU A 113 25.744 -8.070 7.696 1.00 0.00 C ATOM 1625 C LEU A 113 26.692 -8.079 6.498 1.00 0.00 C ATOM 1626 O LEU A 113 26.766 -9.047 5.767 1.00 0.00 O ATOM 1627 CB LEU A 113 26.408 -8.738 8.905 1.00 0.00 C ATOM 1628 CG LEU A 113 25.548 -8.572 10.175 1.00 0.00 C ATOM 1629 CD1 LEU A 113 24.714 -7.285 10.111 1.00 0.00 C ATOM 1630 CD2 LEU A 113 24.612 -9.773 10.315 1.00 0.00 C ATOM 0 H LEU A 113 24.254 -9.537 8.129 1.00 0.00 H new ATOM 0 HA LEU A 113 25.487 -7.032 7.905 1.00 0.00 H new ATOM 0 HB2 LEU A 113 26.559 -9.798 8.701 1.00 0.00 H new ATOM 0 HB3 LEU A 113 27.393 -8.301 9.070 1.00 0.00 H new ATOM 0 HG LEU A 113 26.214 -8.511 11.036 1.00 0.00 H new ATOM 0 HD11 LEU A 113 24.117 -7.193 11.018 1.00 0.00 H new ATOM 0 HD12 LEU A 113 25.378 -6.425 10.024 1.00 0.00 H new ATOM 0 HD13 LEU A 113 24.054 -7.322 9.245 1.00 0.00 H new ATOM 0 HD21 LEU A 113 24.004 -9.657 11.212 1.00 0.00 H new ATOM 0 HD22 LEU A 113 23.963 -9.832 9.441 1.00 0.00 H new ATOM 0 HD23 LEU A 113 25.201 -10.687 10.392 1.00 0.00 H new ATOM 1642 N PRO A 114 27.382 -6.990 6.341 1.00 0.00 N ATOM 1643 CA PRO A 114 28.339 -6.849 5.221 1.00 0.00 C ATOM 1644 C PRO A 114 29.605 -7.674 5.478 1.00 0.00 C ATOM 1645 O PRO A 114 29.808 -8.199 6.555 1.00 0.00 O ATOM 1646 CB PRO A 114 28.645 -5.354 5.208 1.00 0.00 C ATOM 1647 CG PRO A 114 28.363 -4.872 6.596 1.00 0.00 C ATOM 1648 CD PRO A 114 27.333 -5.795 7.190 1.00 0.00 C ATOM 0 HA PRO A 114 27.945 -7.208 4.270 1.00 0.00 H new ATOM 0 HB2 PRO A 114 29.683 -5.169 4.933 1.00 0.00 H new ATOM 0 HB3 PRO A 114 28.024 -4.833 4.479 1.00 0.00 H new ATOM 0 HG2 PRO A 114 29.273 -4.875 7.196 1.00 0.00 H new ATOM 0 HG3 PRO A 114 27.995 -3.846 6.579 1.00 0.00 H new ATOM 0 HD2 PRO A 114 27.565 -6.035 8.228 1.00 0.00 H new ATOM 0 HD3 PRO A 114 26.342 -5.342 7.182 1.00 0.00 H new ATOM 1656 N LYS A 115 30.460 -7.792 4.496 1.00 0.00 N ATOM 1657 CA LYS A 115 31.711 -8.582 4.690 1.00 0.00 C ATOM 1658 C LYS A 115 32.933 -7.764 4.259 1.00 0.00 C ATOM 1659 O LYS A 115 33.130 -7.488 3.093 1.00 0.00 O ATOM 1660 CB LYS A 115 31.552 -9.820 3.808 1.00 0.00 C ATOM 1661 CG LYS A 115 32.669 -10.815 4.131 1.00 0.00 C ATOM 1662 CD LYS A 115 32.235 -12.225 3.729 1.00 0.00 C ATOM 1663 CE LYS A 115 33.034 -13.255 4.532 1.00 0.00 C ATOM 1664 NZ LYS A 115 32.813 -14.547 3.825 1.00 0.00 N ATOM 0 H LYS A 115 30.347 -7.377 3.571 1.00 0.00 H new ATOM 0 HA LYS A 115 31.864 -8.850 5.735 1.00 0.00 H new ATOM 0 HB2 LYS A 115 30.579 -10.280 3.978 1.00 0.00 H new ATOM 0 HB3 LYS A 115 31.592 -9.539 2.756 1.00 0.00 H new ATOM 0 HG2 LYS A 115 33.580 -10.539 3.600 1.00 0.00 H new ATOM 0 HG3 LYS A 115 32.900 -10.785 5.196 1.00 0.00 H new ATOM 0 HD2 LYS A 115 31.168 -12.354 3.912 1.00 0.00 H new ATOM 0 HD3 LYS A 115 32.396 -12.376 2.662 1.00 0.00 H new ATOM 0 HE2 LYS A 115 34.093 -12.997 4.562 1.00 0.00 H new ATOM 0 HE3 LYS A 115 32.688 -13.305 5.565 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 33.330 -15.304 4.316 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 31.797 -14.769 3.818 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 33.158 -14.471 2.847 1.00 0.00 H new ATOM 1678 N CYS A 116 33.753 -7.379 5.198 1.00 0.00 N ATOM 1679 CA CYS A 116 34.968 -6.582 4.860 1.00 0.00 C ATOM 1680 C CYS A 116 35.945 -7.441 4.059 1.00 0.00 C ATOM 1681 O CYS A 116 36.892 -7.992 4.584 1.00 0.00 O ATOM 1682 CB CYS A 116 35.555 -6.183 6.216 1.00 0.00 C ATOM 1683 SG CYS A 116 36.541 -4.666 6.073 1.00 0.00 S ATOM 0 H CYS A 116 33.634 -7.583 6.190 1.00 0.00 H new ATOM 0 HA CYS A 116 34.750 -5.709 4.245 1.00 0.00 H new ATOM 0 HB2 CYS A 116 34.750 -6.032 6.935 1.00 0.00 H new ATOM 0 HB3 CYS A 116 36.177 -6.991 6.600 1.00 0.00 H new ATOM 1688 N VAL A 117 35.709 -7.548 2.785 1.00 0.00 N ATOM 1689 CA VAL A 117 36.603 -8.363 1.911 1.00 0.00 C ATOM 1690 C VAL A 117 37.612 -7.485 1.213 1.00 0.00 C ATOM 1691 O VAL A 117 37.764 -6.320 1.513 1.00 0.00 O ATOM 1692 CB VAL A 117 35.703 -9.015 0.864 1.00 0.00 C ATOM 1693 CG1 VAL A 117 35.083 -10.258 1.464 1.00 0.00 C ATOM 1694 CG2 VAL A 117 34.594 -8.053 0.425 1.00 0.00 C ATOM 0 H VAL A 117 34.928 -7.103 2.303 1.00 0.00 H new ATOM 0 HA VAL A 117 37.149 -9.099 2.502 1.00 0.00 H new ATOM 0 HB VAL A 117 36.301 -9.271 -0.011 1.00 0.00 H new ATOM 0 HG11 VAL A 117 34.437 -10.735 0.727 1.00 0.00 H new ATOM 0 HG12 VAL A 117 35.871 -10.952 1.759 1.00 0.00 H new ATOM 0 HG13 VAL A 117 34.494 -9.985 2.340 1.00 0.00 H new ATOM 0 HG21 VAL A 117 33.965 -8.539 -0.321 1.00 0.00 H new ATOM 0 HG22 VAL A 117 33.987 -7.779 1.288 1.00 0.00 H new ATOM 0 HG23 VAL A 117 35.040 -7.156 -0.005 1.00 0.00 H new ATOM 1704 N ARG A 118 38.299 -8.042 0.270 1.00 0.00 N ATOM 1705 CA ARG A 118 39.296 -7.241 -0.467 1.00 0.00 C ATOM 1706 C ARG A 118 39.103 -7.402 -1.977 1.00 0.00 C ATOM 1707 O ARG A 118 38.050 -7.021 -2.463 1.00 0.00 O ATOM 1708 CB ARG A 118 40.657 -7.783 -0.031 1.00 0.00 C ATOM 1709 CG ARG A 118 40.625 -9.313 -0.042 1.00 0.00 C ATOM 1710 CD ARG A 118 41.966 -9.848 -0.550 1.00 0.00 C ATOM 1711 NE ARG A 118 41.614 -11.003 -1.422 1.00 0.00 N ATOM 1712 CZ ARG A 118 42.174 -11.133 -2.594 1.00 0.00 C ATOM 1713 NH1 ARG A 118 41.893 -10.291 -3.550 1.00 0.00 N ATOM 1714 NH2 ARG A 118 43.015 -12.107 -2.810 1.00 0.00 N ATOM 1715 OXT ARG A 118 40.010 -7.901 -2.622 1.00 0.00 O ATOM 0 H ARG A 118 38.214 -9.015 -0.022 1.00 0.00 H new ATOM 0 HA ARG A 118 39.202 -6.176 -0.253 1.00 0.00 H new ATOM 0 HB2 ARG A 118 41.436 -7.420 -0.701 1.00 0.00 H new ATOM 0 HB3 ARG A 118 40.901 -7.421 0.968 1.00 0.00 H new ATOM 0 HG2 ARG A 118 40.427 -9.690 0.961 1.00 0.00 H new ATOM 0 HG3 ARG A 118 39.815 -9.666 -0.681 1.00 0.00 H new ATOM 0 HD2 ARG A 118 42.510 -9.085 -1.106 1.00 0.00 H new ATOM 0 HD3 ARG A 118 42.606 -10.158 0.276 1.00 0.00 H new ATOM 0 HE ARG A 118 40.934 -11.693 -1.103 1.00 0.00 H new ATOM 0 HH11 ARG A 118 41.235 -9.530 -3.382 1.00 0.00 H new ATOM 0 HH12 ARG A 118 42.331 -10.394 -4.465 1.00 0.00 H new ATOM 0 HH21 ARG A 118 43.235 -12.766 -2.063 1.00 0.00 H new ATOM 0 HH22 ARG A 118 43.453 -12.209 -3.726 1.00 0.00 H new