USER MOD reduce.3.24.130724 H: found=0, std=0, add=745, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 749 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 43 SER OG : rot 53:sc= 2.19 USER MOD Set 1.2: A 111 TYR OH : rot 70:sc= -1.05 USER MOD Set 2.1: A 109 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.1: A 92 ASN : amide:sc= -0.059 K(o=-0.059,f=-0.98) USER MOD Set 3.2: A 93 ASN : amide:sc= 0 X(o=-0.059,f=-0.45) USER MOD Set 4.1: A 59 MET CE :methyl -111:sc= -11.5! (180deg=-5.6!) USER MOD Set 4.2: A 88 MET CE :methyl -157:sc= -12.2! (180deg=-8.59!) USER MOD Set 4.3: B 72 THR OG1 : rot 79:sc= -4.93! USER MOD Set 5.1: A 51 THR OG1 : rot -89:sc= -0.658 USER MOD Set 5.2: A 97 MET CE :methyl 160:sc= -6.06 (180deg=-7.54!) USER MOD Set 6.1: A 28 THR OG1 : rot -149:sc= -5.72! USER MOD Set 6.2: A 39 THR OG1 : rot 180:sc= -1.32 USER MOD Set 7.1: A 13 SER OG : rot 17:sc= 1.33 USER MOD Set 7.2: A 32 THR OG1 : rot -171:sc= 1.45 USER MOD Single : A 3 HIS : no HD1:sc= -3.75! K(o=-3.8!,f=-1.9) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 ASN : amide:sc= 0.163 K(o=0.16,f=-11!) USER MOD Single : A 23 SER OG : rot 180:sc= -0.839 USER MOD Single : A 31 SER OG : rot -31:sc= -1.71! USER MOD Single : A 36 LYS NZ :NH3+ -137:sc= -0.348 (180deg=-1.36) USER MOD Single : A 38 HIS : no HD1:sc= -0.0368 X(o=-0.037,f=0) USER MOD Single : A 44 THR OG1 : rot 38:sc= 0.421 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -3.43 K(o=-3.4,f=-11!) USER MOD Single : A 54 SER OG : rot 180:sc= -1.18 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ -153:sc= 2.15 (180deg=1.18) USER MOD Single : A 58 MET CE :methyl -132:sc= -7.83! (180deg=-16.9!) USER MOD Single : A 87 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 90 SER OG : rot 10:sc= 0.29 USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 99 ASN : amide:sc= -0.0715 X(o=-0.071,f=-0.56) USER MOD Single : A 101 LYS NZ :NH3+ 172:sc= 0.05 (180deg=-0.0476) USER MOD Single : A 102 MET CE :methyl 152:sc= -0.0519 (180deg=-0.819) USER MOD Single : A 103 THR OG1 : rot 180:sc= 0 USER MOD Single : A 105 GLN : amide:sc= -3.04! C(o=-3!,f=-4.9!) USER MOD Single : A 106 GLN : amide:sc= 0 X(o=0,f=-0.44) USER MOD ----------------------------------------------------------------- ATOM 28 N HIS A 3 0.510 -14.017 3.320 1.00 0.00 N ATOM 29 CA HIS A 3 1.159 -13.286 2.236 1.00 0.00 C ATOM 30 C HIS A 3 0.274 -13.244 1.002 1.00 0.00 C ATOM 31 O HIS A 3 0.209 -12.231 0.305 1.00 0.00 O ATOM 32 CB HIS A 3 2.508 -13.923 1.882 1.00 0.00 C ATOM 33 CG HIS A 3 3.377 -14.215 3.067 1.00 0.00 C ATOM 34 ND1 HIS A 3 3.186 -15.303 3.895 1.00 0.00 N ATOM 35 CD2 HIS A 3 4.456 -13.559 3.557 1.00 0.00 C ATOM 36 CE1 HIS A 3 4.107 -15.300 4.842 1.00 0.00 C ATOM 37 NE2 HIS A 3 4.890 -14.253 4.659 1.00 0.00 N ATOM 0 HA HIS A 3 1.328 -12.266 2.581 1.00 0.00 H new ATOM 0 HB2 HIS A 3 2.328 -14.851 1.340 1.00 0.00 H new ATOM 0 HB3 HIS A 3 3.045 -13.258 1.206 1.00 0.00 H new ATOM 0 HD2 HIS A 3 4.894 -12.657 3.155 1.00 0.00 H new ATOM 0 HE1 HIS A 3 4.203 -16.030 5.632 1.00 0.00 H new ATOM 0 HE2 HIS A 3 5.688 -14.001 5.242 1.00 0.00 H new ATOM 46 N SER A 4 -0.408 -14.344 0.740 1.00 0.00 N ATOM 47 CA SER A 4 -1.294 -14.422 -0.411 1.00 0.00 C ATOM 48 C SER A 4 -2.739 -14.194 0.002 1.00 0.00 C ATOM 49 O SER A 4 -3.233 -14.789 0.960 1.00 0.00 O ATOM 50 CB SER A 4 -1.167 -15.764 -1.127 1.00 0.00 C ATOM 51 OG SER A 4 0.188 -16.167 -1.225 1.00 0.00 O ATOM 0 H SER A 4 -0.367 -15.193 1.304 1.00 0.00 H new ATOM 0 HA SER A 4 -0.993 -13.635 -1.103 1.00 0.00 H new ATOM 0 HB2 SER A 4 -1.736 -16.522 -0.588 1.00 0.00 H new ATOM 0 HB3 SER A 4 -1.600 -15.689 -2.125 1.00 0.00 H new ATOM 0 HG SER A 4 0.240 -17.030 -1.686 1.00 0.00 H new ATOM 57 N GLY A 5 -3.403 -13.327 -0.739 1.00 0.00 N ATOM 58 CA GLY A 5 -4.786 -13.007 -0.474 1.00 0.00 C ATOM 59 C GLY A 5 -5.440 -12.418 -1.698 1.00 0.00 C ATOM 60 O GLY A 5 -4.797 -12.286 -2.736 1.00 0.00 O ATOM 0 H GLY A 5 -3.000 -12.831 -1.534 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -5.320 -13.906 -0.167 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -4.849 -12.301 0.354 1.00 0.00 H new ATOM 64 N ALA A 6 -6.709 -12.062 -1.596 1.00 0.00 N ATOM 65 CA ALA A 6 -7.406 -11.483 -2.731 1.00 0.00 C ATOM 66 C ALA A 6 -7.575 -9.983 -2.560 1.00 0.00 C ATOM 67 O ALA A 6 -7.866 -9.499 -1.469 1.00 0.00 O ATOM 68 CB ALA A 6 -8.750 -12.154 -2.942 1.00 0.00 C ATOM 0 H ALA A 6 -7.271 -12.162 -0.751 1.00 0.00 H new ATOM 0 HA ALA A 6 -6.798 -11.655 -3.619 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -9.252 -11.702 -3.798 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -8.600 -13.217 -3.129 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -9.365 -12.025 -2.051 1.00 0.00 H new ATOM 74 N ALA A 7 -7.386 -9.258 -3.651 1.00 0.00 N ATOM 75 CA ALA A 7 -7.510 -7.807 -3.646 1.00 0.00 C ATOM 76 C ALA A 7 -8.022 -7.316 -4.989 1.00 0.00 C ATOM 77 O ALA A 7 -7.946 -8.033 -5.986 1.00 0.00 O ATOM 78 CB ALA A 7 -6.171 -7.163 -3.318 1.00 0.00 C ATOM 0 H ALA A 7 -7.144 -9.654 -4.559 1.00 0.00 H new ATOM 0 HA ALA A 7 -8.228 -7.521 -2.877 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -6.279 -6.078 -3.318 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -5.839 -7.495 -2.334 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -5.434 -7.454 -4.067 1.00 0.00 H new ATOM 84 N ILE A 8 -8.546 -6.098 -5.022 1.00 0.00 N ATOM 85 CA ILE A 8 -9.063 -5.547 -6.263 1.00 0.00 C ATOM 86 C ILE A 8 -8.523 -4.148 -6.532 1.00 0.00 C ATOM 87 O ILE A 8 -8.327 -3.352 -5.614 1.00 0.00 O ATOM 88 CB ILE A 8 -10.600 -5.507 -6.261 1.00 0.00 C ATOM 89 CG1 ILE A 8 -11.163 -6.920 -6.143 1.00 0.00 C ATOM 90 CG2 ILE A 8 -11.109 -4.842 -7.530 1.00 0.00 C ATOM 91 CD1 ILE A 8 -12.419 -7.000 -5.305 1.00 0.00 C ATOM 0 H ILE A 8 -8.623 -5.481 -4.214 1.00 0.00 H new ATOM 0 HA ILE A 8 -8.724 -6.210 -7.059 1.00 0.00 H new ATOM 0 HB ILE A 8 -10.935 -4.924 -5.403 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -11.377 -7.302 -7.141 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -10.404 -7.570 -5.709 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -12.199 -4.820 -7.517 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -10.726 -3.823 -7.586 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -10.768 -5.406 -8.398 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -12.764 -8.033 -5.264 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -12.206 -6.648 -4.296 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -13.194 -6.376 -5.750 1.00 0.00 H new ATOM 103 N PHE A 9 -8.296 -3.863 -7.808 1.00 0.00 N ATOM 104 CA PHE A 9 -7.789 -2.566 -8.232 1.00 0.00 C ATOM 105 C PHE A 9 -8.376 -2.188 -9.590 1.00 0.00 C ATOM 106 O PHE A 9 -8.590 -3.049 -10.443 1.00 0.00 O ATOM 107 CB PHE A 9 -6.262 -2.588 -8.300 1.00 0.00 C ATOM 108 CG PHE A 9 -5.657 -1.230 -8.497 1.00 0.00 C ATOM 109 CD1 PHE A 9 -5.834 -0.552 -9.688 1.00 0.00 C ATOM 110 CD2 PHE A 9 -4.914 -0.633 -7.491 1.00 0.00 C ATOM 111 CE1 PHE A 9 -5.281 0.701 -9.878 1.00 0.00 C ATOM 112 CE2 PHE A 9 -4.358 0.619 -7.673 1.00 0.00 C ATOM 113 CZ PHE A 9 -4.542 1.287 -8.868 1.00 0.00 C ATOM 0 H PHE A 9 -8.457 -4.519 -8.572 1.00 0.00 H new ATOM 0 HA PHE A 9 -8.092 -1.817 -7.500 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -5.871 -3.022 -7.380 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -5.951 -3.239 -9.117 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -6.411 -1.006 -10.480 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -4.768 -1.152 -6.555 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -5.426 1.221 -10.814 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -3.781 1.074 -6.882 1.00 0.00 H new ATOM 0 HZ PHE A 9 -4.109 2.266 -9.013 1.00 0.00 H new ATOM 123 N GLU A 10 -8.647 -0.899 -9.780 1.00 0.00 N ATOM 124 CA GLU A 10 -9.225 -0.411 -11.031 1.00 0.00 C ATOM 125 C GLU A 10 -10.447 -1.231 -11.420 1.00 0.00 C ATOM 126 O GLU A 10 -10.684 -1.496 -12.599 1.00 0.00 O ATOM 127 CB GLU A 10 -8.193 -0.441 -12.159 1.00 0.00 C ATOM 128 CG GLU A 10 -7.550 0.910 -12.411 1.00 0.00 C ATOM 129 CD GLU A 10 -6.294 0.812 -13.254 1.00 0.00 C ATOM 130 OE1 GLU A 10 -5.325 0.164 -12.804 1.00 0.00 O ATOM 131 OE2 GLU A 10 -6.278 1.383 -14.365 1.00 0.00 O ATOM 0 H GLU A 10 -8.476 -0.173 -9.084 1.00 0.00 H new ATOM 0 HA GLU A 10 -9.535 0.622 -10.872 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -7.417 -1.167 -11.915 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -8.674 -0.785 -13.075 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -8.267 1.562 -12.910 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -7.306 1.376 -11.456 1.00 0.00 H new ATOM 138 N LYS A 11 -11.223 -1.626 -10.420 1.00 0.00 N ATOM 139 CA LYS A 11 -12.427 -2.412 -10.653 1.00 0.00 C ATOM 140 C LYS A 11 -12.085 -3.782 -11.236 1.00 0.00 C ATOM 141 O LYS A 11 -12.955 -4.469 -11.771 1.00 0.00 O ATOM 142 CB LYS A 11 -13.381 -1.669 -11.597 1.00 0.00 C ATOM 143 CG LYS A 11 -13.205 -0.155 -11.591 1.00 0.00 C ATOM 144 CD LYS A 11 -14.447 0.552 -12.108 1.00 0.00 C ATOM 145 CE LYS A 11 -14.721 1.832 -11.335 1.00 0.00 C ATOM 146 NZ LYS A 11 -16.038 2.426 -11.693 1.00 0.00 N ATOM 0 H LYS A 11 -11.040 -1.415 -9.439 1.00 0.00 H new ATOM 0 HA LYS A 11 -12.919 -2.558 -9.692 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -13.232 -2.038 -12.612 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -14.408 -1.906 -11.319 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -12.988 0.183 -10.578 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -12.348 0.115 -12.208 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -14.321 0.784 -13.166 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -15.306 -0.114 -12.028 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -14.696 1.623 -10.266 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -13.930 2.554 -11.537 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -16.187 3.297 -11.144 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -16.053 2.650 -12.709 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -16.795 1.747 -11.477 1.00 0.00 H new ATOM 160 N VAL A 12 -10.819 -4.183 -11.124 1.00 0.00 N ATOM 161 CA VAL A 12 -10.387 -5.478 -11.636 1.00 0.00 C ATOM 162 C VAL A 12 -9.882 -6.355 -10.500 1.00 0.00 C ATOM 163 O VAL A 12 -8.976 -5.967 -9.762 1.00 0.00 O ATOM 164 CB VAL A 12 -9.278 -5.335 -12.696 1.00 0.00 C ATOM 165 CG1 VAL A 12 -9.115 -6.635 -13.469 1.00 0.00 C ATOM 166 CG2 VAL A 12 -9.580 -4.180 -13.639 1.00 0.00 C ATOM 0 H VAL A 12 -10.081 -3.632 -10.686 1.00 0.00 H new ATOM 0 HA VAL A 12 -11.254 -5.942 -12.106 1.00 0.00 H new ATOM 0 HB VAL A 12 -8.339 -5.117 -12.187 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -8.328 -6.519 -14.214 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -8.847 -7.437 -12.781 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -10.053 -6.882 -13.967 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -8.784 -4.097 -14.379 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -10.528 -4.362 -14.145 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -9.644 -3.253 -13.070 1.00 0.00 H new ATOM 176 N SER A 13 -10.483 -7.529 -10.347 1.00 0.00 N ATOM 177 CA SER A 13 -10.097 -8.437 -9.277 1.00 0.00 C ATOM 178 C SER A 13 -8.895 -9.291 -9.655 1.00 0.00 C ATOM 179 O SER A 13 -8.609 -9.516 -10.831 1.00 0.00 O ATOM 180 CB SER A 13 -11.268 -9.333 -8.878 1.00 0.00 C ATOM 181 OG SER A 13 -11.727 -10.097 -9.979 1.00 0.00 O ATOM 0 H SER A 13 -11.234 -7.872 -10.946 1.00 0.00 H new ATOM 0 HA SER A 13 -9.811 -7.819 -8.425 1.00 0.00 H new ATOM 0 HB2 SER A 13 -10.961 -10.000 -8.072 1.00 0.00 H new ATOM 0 HB3 SER A 13 -12.083 -8.721 -8.492 1.00 0.00 H new ATOM 0 HG SER A 13 -11.044 -10.100 -10.682 1.00 0.00 H new ATOM 187 N GLY A 14 -8.193 -9.743 -8.625 1.00 0.00 N ATOM 188 CA GLY A 14 -7.007 -10.555 -8.801 1.00 0.00 C ATOM 189 C GLY A 14 -6.505 -11.079 -7.473 1.00 0.00 C ATOM 190 O GLY A 14 -7.115 -10.822 -6.435 1.00 0.00 O ATOM 0 H GLY A 14 -8.431 -9.556 -7.651 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -7.229 -11.390 -9.465 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -6.226 -9.965 -9.282 1.00 0.00 H new ATOM 194 N ILE A 15 -5.397 -11.806 -7.488 1.00 0.00 N ATOM 195 CA ILE A 15 -4.841 -12.342 -6.254 1.00 0.00 C ATOM 196 C ILE A 15 -3.579 -11.585 -5.881 1.00 0.00 C ATOM 197 O ILE A 15 -2.735 -11.296 -6.729 1.00 0.00 O ATOM 198 CB ILE A 15 -4.513 -13.847 -6.360 1.00 0.00 C ATOM 199 CG1 ILE A 15 -5.595 -14.578 -7.157 1.00 0.00 C ATOM 200 CG2 ILE A 15 -4.370 -14.456 -4.968 1.00 0.00 C ATOM 201 CD1 ILE A 15 -5.287 -14.688 -8.634 1.00 0.00 C ATOM 0 H ILE A 15 -4.870 -12.036 -8.331 1.00 0.00 H new ATOM 0 HA ILE A 15 -5.602 -12.218 -5.483 1.00 0.00 H new ATOM 0 HB ILE A 15 -3.566 -13.959 -6.887 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -5.724 -15.579 -6.745 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -6.544 -14.056 -7.030 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -4.139 -15.517 -5.057 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -3.565 -13.953 -4.432 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -5.304 -14.333 -4.419 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -6.097 -15.217 -9.136 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -5.187 -13.690 -9.060 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -4.355 -15.236 -8.771 1.00 0.00 H new ATOM 213 N ILE A 16 -3.477 -11.247 -4.606 1.00 0.00 N ATOM 214 CA ILE A 16 -2.346 -10.495 -4.095 1.00 0.00 C ATOM 215 C ILE A 16 -1.412 -11.405 -3.298 1.00 0.00 C ATOM 216 O ILE A 16 -1.868 -12.216 -2.495 1.00 0.00 O ATOM 217 CB ILE A 16 -2.843 -9.341 -3.202 1.00 0.00 C ATOM 218 CG1 ILE A 16 -1.678 -8.491 -2.702 1.00 0.00 C ATOM 219 CG2 ILE A 16 -3.660 -9.877 -2.035 1.00 0.00 C ATOM 220 CD1 ILE A 16 -2.095 -7.086 -2.330 1.00 0.00 C ATOM 0 H ILE A 16 -4.173 -11.486 -3.900 1.00 0.00 H new ATOM 0 HA ILE A 16 -1.793 -10.083 -4.939 1.00 0.00 H new ATOM 0 HB ILE A 16 -3.487 -8.703 -3.806 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -1.228 -8.973 -1.834 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -0.910 -8.445 -3.474 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -4.001 -9.046 -1.417 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -4.523 -10.424 -2.416 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -3.042 -10.545 -1.435 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -1.225 -6.529 -1.982 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -2.519 -6.589 -3.203 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -2.842 -7.126 -1.537 1.00 0.00 H new ATOM 232 N ALA A 17 -0.106 -11.293 -3.541 1.00 0.00 N ATOM 233 CA ALA A 17 0.865 -12.141 -2.849 1.00 0.00 C ATOM 234 C ALA A 17 2.172 -11.409 -2.561 1.00 0.00 C ATOM 235 O ALA A 17 2.695 -10.698 -3.416 1.00 0.00 O ATOM 236 CB ALA A 17 1.147 -13.380 -3.681 1.00 0.00 C ATOM 0 H ALA A 17 0.300 -10.632 -4.203 1.00 0.00 H new ATOM 0 HA ALA A 17 0.429 -12.422 -1.890 1.00 0.00 H new ATOM 0 HB1 ALA A 17 1.871 -14.009 -3.163 1.00 0.00 H new ATOM 0 HB2 ALA A 17 0.222 -13.937 -3.829 1.00 0.00 H new ATOM 0 HB3 ALA A 17 1.551 -13.084 -4.649 1.00 0.00 H new ATOM 242 N ILE A 18 2.705 -11.610 -1.354 1.00 0.00 N ATOM 243 CA ILE A 18 3.965 -10.985 -0.954 1.00 0.00 C ATOM 244 C ILE A 18 5.147 -11.909 -1.244 1.00 0.00 C ATOM 245 O ILE A 18 5.385 -12.874 -0.518 1.00 0.00 O ATOM 246 CB ILE A 18 3.979 -10.629 0.548 1.00 0.00 C ATOM 247 CG1 ILE A 18 2.599 -10.153 1.013 1.00 0.00 C ATOM 248 CG2 ILE A 18 5.029 -9.564 0.827 1.00 0.00 C ATOM 249 CD1 ILE A 18 1.989 -9.088 0.126 1.00 0.00 C ATOM 0 H ILE A 18 2.283 -12.201 -0.638 1.00 0.00 H new ATOM 0 HA ILE A 18 4.055 -10.068 -1.537 1.00 0.00 H new ATOM 0 HB ILE A 18 4.232 -11.529 1.109 1.00 0.00 H new ATOM 0 HG12 ILE A 18 1.925 -11.008 1.054 1.00 0.00 H new ATOM 0 HG13 ILE A 18 2.682 -9.764 2.028 1.00 0.00 H new ATOM 0 HG21 ILE A 18 5.028 -9.322 1.890 1.00 0.00 H new ATOM 0 HG22 ILE A 18 6.012 -9.938 0.541 1.00 0.00 H new ATOM 0 HG23 ILE A 18 4.800 -8.668 0.251 1.00 0.00 H new ATOM 0 HD11 ILE A 18 1.013 -8.802 0.519 1.00 0.00 H new ATOM 0 HD12 ILE A 18 2.642 -8.215 0.104 1.00 0.00 H new ATOM 0 HD13 ILE A 18 1.872 -9.479 -0.885 1.00 0.00 H new ATOM 261 N ASN A 19 5.884 -11.602 -2.305 1.00 0.00 N ATOM 262 CA ASN A 19 7.045 -12.396 -2.694 1.00 0.00 C ATOM 263 C ASN A 19 8.255 -12.052 -1.840 1.00 0.00 C ATOM 264 O ASN A 19 8.819 -10.963 -1.947 1.00 0.00 O ATOM 265 CB ASN A 19 7.370 -12.165 -4.171 1.00 0.00 C ATOM 266 CG ASN A 19 8.334 -13.200 -4.720 1.00 0.00 C ATOM 267 OD1 ASN A 19 9.299 -13.579 -4.056 1.00 0.00 O ATOM 268 ND2 ASN A 19 8.076 -13.661 -5.938 1.00 0.00 N ATOM 0 H ASN A 19 5.698 -10.805 -2.914 1.00 0.00 H new ATOM 0 HA ASN A 19 6.802 -13.447 -2.537 1.00 0.00 H new ATOM 0 HB2 ASN A 19 6.447 -12.188 -4.751 1.00 0.00 H new ATOM 0 HB3 ASN A 19 7.800 -11.171 -4.295 1.00 0.00 H new ATOM 0 HD21 ASN A 19 8.689 -14.358 -6.360 1.00 0.00 H new ATOM 0 HD22 ASN A 19 7.264 -13.318 -6.452 1.00 0.00 H new ATOM 275 N GLU A 20 8.661 -13.002 -1.007 1.00 0.00 N ATOM 276 CA GLU A 20 9.819 -12.820 -0.146 1.00 0.00 C ATOM 277 C GLU A 20 10.927 -13.773 -0.562 1.00 0.00 C ATOM 278 O GLU A 20 11.743 -14.202 0.254 1.00 0.00 O ATOM 279 CB GLU A 20 9.446 -13.045 1.321 1.00 0.00 C ATOM 280 CG GLU A 20 8.552 -14.254 1.543 1.00 0.00 C ATOM 281 CD GLU A 20 8.882 -14.994 2.825 1.00 0.00 C ATOM 282 OE1 GLU A 20 9.920 -15.687 2.859 1.00 0.00 O ATOM 283 OE2 GLU A 20 8.102 -14.881 3.793 1.00 0.00 O ATOM 0 H GLU A 20 8.203 -13.908 -0.911 1.00 0.00 H new ATOM 0 HA GLU A 20 10.173 -11.795 -0.252 1.00 0.00 H new ATOM 0 HB2 GLU A 20 10.359 -13.166 1.905 1.00 0.00 H new ATOM 0 HB3 GLU A 20 8.941 -12.156 1.699 1.00 0.00 H new ATOM 0 HG2 GLU A 20 7.511 -13.932 1.571 1.00 0.00 H new ATOM 0 HG3 GLU A 20 8.652 -14.935 0.698 1.00 0.00 H new ATOM 290 N ASP A 21 10.941 -14.095 -1.848 1.00 0.00 N ATOM 291 CA ASP A 21 11.939 -14.998 -2.407 1.00 0.00 C ATOM 292 C ASP A 21 12.977 -14.228 -3.220 1.00 0.00 C ATOM 293 O ASP A 21 14.082 -14.719 -3.454 1.00 0.00 O ATOM 294 CB ASP A 21 11.267 -16.053 -3.287 1.00 0.00 C ATOM 295 CG ASP A 21 10.243 -16.873 -2.527 1.00 0.00 C ATOM 296 OD1 ASP A 21 10.652 -17.725 -1.711 1.00 0.00 O ATOM 297 OD2 ASP A 21 9.032 -16.662 -2.747 1.00 0.00 O ATOM 0 H ASP A 21 10.268 -13.742 -2.528 1.00 0.00 H new ATOM 0 HA ASP A 21 12.447 -15.494 -1.580 1.00 0.00 H new ATOM 0 HB2 ASP A 21 10.782 -15.563 -4.131 1.00 0.00 H new ATOM 0 HB3 ASP A 21 12.027 -16.717 -3.698 1.00 0.00 H new ATOM 302 N VAL A 22 12.620 -13.018 -3.643 1.00 0.00 N ATOM 303 CA VAL A 22 13.532 -12.186 -4.425 1.00 0.00 C ATOM 304 C VAL A 22 14.201 -11.140 -3.539 1.00 0.00 C ATOM 305 O VAL A 22 13.800 -10.941 -2.393 1.00 0.00 O ATOM 306 CB VAL A 22 12.817 -11.473 -5.600 1.00 0.00 C ATOM 307 CG1 VAL A 22 13.217 -12.099 -6.927 1.00 0.00 C ATOM 308 CG2 VAL A 22 11.303 -11.501 -5.431 1.00 0.00 C ATOM 0 H VAL A 22 11.711 -12.593 -3.459 1.00 0.00 H new ATOM 0 HA VAL A 22 14.284 -12.856 -4.841 1.00 0.00 H new ATOM 0 HB VAL A 22 13.132 -10.430 -5.596 1.00 0.00 H new ATOM 0 HG11 VAL A 22 12.705 -11.585 -7.741 1.00 0.00 H new ATOM 0 HG12 VAL A 22 14.295 -12.008 -7.062 1.00 0.00 H new ATOM 0 HG13 VAL A 22 12.938 -13.153 -6.931 1.00 0.00 H new ATOM 0 HG21 VAL A 22 10.833 -10.992 -6.273 1.00 0.00 H new ATOM 0 HG22 VAL A 22 10.960 -12.535 -5.395 1.00 0.00 H new ATOM 0 HG23 VAL A 22 11.031 -10.996 -4.504 1.00 0.00 H new ATOM 318 N SER A 23 15.224 -10.472 -4.072 1.00 0.00 N ATOM 319 CA SER A 23 15.938 -9.448 -3.313 1.00 0.00 C ATOM 320 C SER A 23 14.956 -8.452 -2.700 1.00 0.00 C ATOM 321 O SER A 23 14.790 -8.412 -1.481 1.00 0.00 O ATOM 322 CB SER A 23 16.951 -8.719 -4.196 1.00 0.00 C ATOM 323 OG SER A 23 16.769 -9.046 -5.563 1.00 0.00 O ATOM 0 H SER A 23 15.574 -10.620 -5.019 1.00 0.00 H new ATOM 0 HA SER A 23 16.481 -9.943 -2.508 1.00 0.00 H new ATOM 0 HB2 SER A 23 16.847 -7.642 -4.060 1.00 0.00 H new ATOM 0 HB3 SER A 23 17.963 -8.983 -3.888 1.00 0.00 H new ATOM 0 HG SER A 23 17.429 -8.565 -6.105 1.00 0.00 H new ATOM 329 N PRO A 24 14.267 -7.647 -3.532 1.00 0.00 N ATOM 330 CA PRO A 24 13.291 -6.687 -3.040 1.00 0.00 C ATOM 331 C PRO A 24 11.978 -7.367 -2.715 1.00 0.00 C ATOM 332 O PRO A 24 11.088 -7.446 -3.560 1.00 0.00 O ATOM 333 CB PRO A 24 13.105 -5.732 -4.210 1.00 0.00 C ATOM 334 CG PRO A 24 13.349 -6.578 -5.414 1.00 0.00 C ATOM 335 CD PRO A 24 14.360 -7.624 -5.005 1.00 0.00 C ATOM 0 HA PRO A 24 13.618 -6.193 -2.125 1.00 0.00 H new ATOM 0 HB2 PRO A 24 12.102 -5.305 -4.220 1.00 0.00 H new ATOM 0 HB3 PRO A 24 13.806 -4.899 -4.160 1.00 0.00 H new ATOM 0 HG2 PRO A 24 12.424 -7.044 -5.754 1.00 0.00 H new ATOM 0 HG3 PRO A 24 13.726 -5.976 -6.241 1.00 0.00 H new ATOM 0 HD2 PRO A 24 14.125 -8.597 -5.436 1.00 0.00 H new ATOM 0 HD3 PRO A 24 15.364 -7.362 -5.338 1.00 0.00 H new ATOM 343 N ALA A 25 11.864 -7.861 -1.490 1.00 0.00 N ATOM 344 CA ALA A 25 10.649 -8.541 -1.056 1.00 0.00 C ATOM 345 C ALA A 25 9.441 -7.720 -1.447 1.00 0.00 C ATOM 346 O ALA A 25 9.055 -6.794 -0.747 1.00 0.00 O ATOM 347 CB ALA A 25 10.660 -8.788 0.437 1.00 0.00 C ATOM 0 H ALA A 25 12.595 -7.805 -0.780 1.00 0.00 H new ATOM 0 HA ALA A 25 10.601 -9.512 -1.550 1.00 0.00 H new ATOM 0 HB1 ALA A 25 9.741 -9.296 0.728 1.00 0.00 H new ATOM 0 HB2 ALA A 25 11.517 -9.410 0.697 1.00 0.00 H new ATOM 0 HB3 ALA A 25 10.731 -7.836 0.963 1.00 0.00 H new ATOM 353 N GLU A 26 8.888 -8.052 -2.595 1.00 0.00 N ATOM 354 CA GLU A 26 7.751 -7.335 -3.147 1.00 0.00 C ATOM 355 C GLU A 26 6.528 -8.229 -3.271 1.00 0.00 C ATOM 356 O GLU A 26 6.615 -9.438 -3.086 1.00 0.00 O ATOM 357 CB GLU A 26 8.125 -6.748 -4.502 1.00 0.00 C ATOM 358 CG GLU A 26 8.744 -7.755 -5.459 1.00 0.00 C ATOM 359 CD GLU A 26 7.749 -8.794 -5.937 1.00 0.00 C ATOM 360 OE1 GLU A 26 6.559 -8.448 -6.097 1.00 0.00 O ATOM 361 OE2 GLU A 26 8.159 -9.954 -6.152 1.00 0.00 O ATOM 0 H GLU A 26 9.212 -8.827 -3.174 1.00 0.00 H new ATOM 0 HA GLU A 26 7.492 -6.528 -2.462 1.00 0.00 H new ATOM 0 HB2 GLU A 26 7.232 -6.325 -4.963 1.00 0.00 H new ATOM 0 HB3 GLU A 26 8.826 -5.927 -4.351 1.00 0.00 H new ATOM 0 HG2 GLU A 26 9.154 -7.227 -6.320 1.00 0.00 H new ATOM 0 HG3 GLU A 26 9.577 -8.255 -4.965 1.00 0.00 H new ATOM 368 N LEU A 27 5.387 -7.623 -3.586 1.00 0.00 N ATOM 369 CA LEU A 27 4.152 -8.357 -3.732 1.00 0.00 C ATOM 370 C LEU A 27 3.512 -8.027 -5.064 1.00 0.00 C ATOM 371 O LEU A 27 3.416 -6.859 -5.441 1.00 0.00 O ATOM 372 CB LEU A 27 3.190 -8.026 -2.583 1.00 0.00 C ATOM 373 CG LEU A 27 2.506 -6.657 -2.669 1.00 0.00 C ATOM 374 CD1 LEU A 27 1.297 -6.607 -1.748 1.00 0.00 C ATOM 375 CD2 LEU A 27 3.487 -5.549 -2.323 1.00 0.00 C ATOM 0 H LEU A 27 5.301 -6.619 -3.744 1.00 0.00 H new ATOM 0 HA LEU A 27 4.372 -9.424 -3.698 1.00 0.00 H new ATOM 0 HB2 LEU A 27 2.419 -8.796 -2.544 1.00 0.00 H new ATOM 0 HB3 LEU A 27 3.741 -8.079 -1.644 1.00 0.00 H new ATOM 0 HG LEU A 27 2.164 -6.506 -3.693 1.00 0.00 H new ATOM 0 HD11 LEU A 27 0.824 -5.628 -1.822 1.00 0.00 H new ATOM 0 HD12 LEU A 27 0.584 -7.378 -2.041 1.00 0.00 H new ATOM 0 HD13 LEU A 27 1.615 -6.779 -0.720 1.00 0.00 H new ATOM 0 HD21 LEU A 27 2.984 -4.584 -2.389 1.00 0.00 H new ATOM 0 HD22 LEU A 27 3.859 -5.696 -1.309 1.00 0.00 H new ATOM 0 HD23 LEU A 27 4.323 -5.571 -3.022 1.00 0.00 H new ATOM 387 N THR A 28 3.075 -9.048 -5.783 1.00 0.00 N ATOM 388 CA THR A 28 2.451 -8.824 -7.070 1.00 0.00 C ATOM 389 C THR A 28 0.996 -9.242 -7.048 1.00 0.00 C ATOM 390 O THR A 28 0.595 -10.146 -6.315 1.00 0.00 O ATOM 391 CB THR A 28 3.209 -9.535 -8.185 1.00 0.00 C ATOM 392 OG1 THR A 28 4.501 -8.984 -8.340 1.00 0.00 O ATOM 393 CG2 THR A 28 2.512 -9.470 -9.527 1.00 0.00 C ATOM 0 H THR A 28 3.141 -10.026 -5.500 1.00 0.00 H new ATOM 0 HA THR A 28 2.490 -7.754 -7.275 1.00 0.00 H new ATOM 0 HB THR A 28 3.260 -10.579 -7.877 1.00 0.00 H new ATOM 0 HG1 THR A 28 4.779 -9.061 -9.276 1.00 0.00 H new ATOM 0 HG21 THR A 28 3.108 -9.996 -10.272 1.00 0.00 H new ATOM 0 HG22 THR A 28 1.531 -9.938 -9.450 1.00 0.00 H new ATOM 0 HG23 THR A 28 2.395 -8.428 -9.826 1.00 0.00 H new ATOM 401 N TRP A 29 0.213 -8.537 -7.838 1.00 0.00 N ATOM 402 CA TRP A 29 -1.217 -8.770 -7.915 1.00 0.00 C ATOM 403 C TRP A 29 -1.644 -9.207 -9.313 1.00 0.00 C ATOM 404 O TRP A 29 -1.637 -8.411 -10.246 1.00 0.00 O ATOM 405 CB TRP A 29 -1.931 -7.483 -7.523 1.00 0.00 C ATOM 406 CG TRP A 29 -3.414 -7.583 -7.552 1.00 0.00 C ATOM 407 CD1 TRP A 29 -4.224 -7.956 -6.524 1.00 0.00 C ATOM 408 CD2 TRP A 29 -4.269 -7.289 -8.657 1.00 0.00 C ATOM 409 NE1 TRP A 29 -5.534 -7.911 -6.918 1.00 0.00 N ATOM 410 CE2 TRP A 29 -5.590 -7.505 -8.225 1.00 0.00 C ATOM 411 CE3 TRP A 29 -4.046 -6.864 -9.972 1.00 0.00 C ATOM 412 CZ2 TRP A 29 -6.686 -7.308 -9.056 1.00 0.00 C ATOM 413 CZ3 TRP A 29 -5.141 -6.672 -10.796 1.00 0.00 C ATOM 414 CH2 TRP A 29 -6.445 -6.893 -10.335 1.00 0.00 C ATOM 0 H TRP A 29 0.547 -7.788 -8.444 1.00 0.00 H new ATOM 0 HA TRP A 29 -1.483 -9.578 -7.234 1.00 0.00 H new ATOM 0 HB2 TRP A 29 -1.616 -7.195 -6.520 1.00 0.00 H new ATOM 0 HB3 TRP A 29 -1.617 -6.686 -8.197 1.00 0.00 H new ATOM 0 HD1 TRP A 29 -3.883 -8.245 -5.541 1.00 0.00 H new ATOM 0 HE1 TRP A 29 -6.337 -8.142 -6.334 1.00 0.00 H new ATOM 0 HE3 TRP A 29 -3.044 -6.690 -10.335 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 -7.693 -7.477 -8.703 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 -4.987 -6.346 -11.814 1.00 0.00 H new ATOM 0 HH2 TRP A 29 -7.277 -6.732 -11.004 1.00 0.00 H new ATOM 425 N ARG A 30 -2.027 -10.472 -9.449 1.00 0.00 N ATOM 426 CA ARG A 30 -2.463 -11.002 -10.737 1.00 0.00 C ATOM 427 C ARG A 30 -3.985 -11.101 -10.800 1.00 0.00 C ATOM 428 O ARG A 30 -4.609 -11.741 -9.955 1.00 0.00 O ATOM 429 CB ARG A 30 -1.841 -12.378 -10.982 1.00 0.00 C ATOM 430 CG ARG A 30 -1.960 -12.852 -12.421 1.00 0.00 C ATOM 431 CD ARG A 30 -1.717 -14.348 -12.537 1.00 0.00 C ATOM 432 NE ARG A 30 -0.346 -14.650 -12.944 1.00 0.00 N ATOM 433 CZ ARG A 30 0.179 -15.873 -12.930 1.00 0.00 C ATOM 434 NH1 ARG A 30 -0.547 -16.910 -12.532 1.00 0.00 N ATOM 435 NH2 ARG A 30 1.433 -16.060 -13.317 1.00 0.00 N ATOM 0 H ARG A 30 -2.045 -11.148 -8.686 1.00 0.00 H new ATOM 0 HA ARG A 30 -2.130 -10.315 -11.515 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -0.787 -12.346 -10.705 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -2.321 -13.106 -10.328 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -2.953 -12.613 -12.803 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -1.242 -12.317 -13.042 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -1.924 -14.824 -11.579 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -2.412 -14.773 -13.261 1.00 0.00 H new ATOM 0 HE ARG A 30 0.243 -13.878 -13.257 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -1.513 -16.772 -12.235 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -0.139 -17.845 -12.523 1.00 0.00 H new ATOM 0 HH21 ARG A 30 1.995 -15.267 -13.625 1.00 0.00 H new ATOM 0 HH22 ARG A 30 1.836 -16.997 -13.306 1.00 0.00 H new ATOM 449 N SER A 31 -4.580 -10.463 -11.809 1.00 0.00 N ATOM 450 CA SER A 31 -6.031 -10.482 -11.980 1.00 0.00 C ATOM 451 C SER A 31 -6.586 -11.898 -11.840 1.00 0.00 C ATOM 452 O SER A 31 -5.849 -12.877 -11.949 1.00 0.00 O ATOM 453 CB SER A 31 -6.412 -9.907 -13.346 1.00 0.00 C ATOM 454 OG SER A 31 -7.420 -8.919 -13.222 1.00 0.00 O ATOM 0 H SER A 31 -4.079 -9.928 -12.518 1.00 0.00 H new ATOM 0 HA SER A 31 -6.468 -9.864 -11.195 1.00 0.00 H new ATOM 0 HB2 SER A 31 -5.531 -9.474 -13.820 1.00 0.00 H new ATOM 0 HB3 SER A 31 -6.763 -10.709 -13.996 1.00 0.00 H new ATOM 0 HG SER A 31 -7.999 -9.136 -12.462 1.00 0.00 H new ATOM 460 N THR A 32 -7.890 -11.996 -11.599 1.00 0.00 N ATOM 461 CA THR A 32 -8.541 -13.292 -11.446 1.00 0.00 C ATOM 462 C THR A 32 -8.547 -14.053 -12.765 1.00 0.00 C ATOM 463 O THR A 32 -8.487 -15.282 -12.788 1.00 0.00 O ATOM 464 CB THR A 32 -9.972 -13.112 -10.936 1.00 0.00 C ATOM 465 OG1 THR A 32 -10.460 -11.822 -11.258 1.00 0.00 O ATOM 466 CG2 THR A 32 -10.100 -13.292 -9.439 1.00 0.00 C ATOM 0 H THR A 32 -8.515 -11.195 -11.506 1.00 0.00 H new ATOM 0 HA THR A 32 -7.977 -13.872 -10.716 1.00 0.00 H new ATOM 0 HB THR A 32 -10.555 -13.889 -11.430 1.00 0.00 H new ATOM 0 HG1 THR A 32 -11.312 -11.670 -10.798 1.00 0.00 H new ATOM 0 HG21 THR A 32 -11.140 -13.151 -9.143 1.00 0.00 H new ATOM 0 HG22 THR A 32 -9.777 -14.296 -9.164 1.00 0.00 H new ATOM 0 HG23 THR A 32 -9.475 -12.558 -8.930 1.00 0.00 H new ATOM 505 N LYS A 36 -4.354 -9.197 -16.371 1.00 0.00 N ATOM 506 CA LYS A 36 -3.531 -8.129 -15.824 1.00 0.00 C ATOM 507 C LYS A 36 -2.830 -8.573 -14.547 1.00 0.00 C ATOM 508 O LYS A 36 -3.365 -9.364 -13.774 1.00 0.00 O ATOM 509 CB LYS A 36 -4.382 -6.890 -15.556 1.00 0.00 C ATOM 510 CG LYS A 36 -5.290 -7.006 -14.346 1.00 0.00 C ATOM 511 CD LYS A 36 -5.926 -5.669 -14.016 1.00 0.00 C ATOM 512 CE LYS A 36 -4.885 -4.644 -13.594 1.00 0.00 C ATOM 513 NZ LYS A 36 -4.497 -3.751 -14.720 1.00 0.00 N ATOM 0 HA LYS A 36 -2.766 -7.882 -16.560 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -3.722 -6.033 -15.420 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -4.993 -6.686 -16.436 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -6.067 -7.745 -14.539 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -4.717 -7.362 -13.490 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -6.470 -5.300 -14.885 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -6.655 -5.799 -13.216 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -5.278 -4.044 -12.774 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -4.001 -5.158 -13.217 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -3.465 -3.620 -14.720 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -4.791 -4.180 -15.621 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -4.963 -2.828 -14.608 1.00 0.00 H new ATOM 527 N VAL A 37 -1.629 -8.056 -14.334 1.00 0.00 N ATOM 528 CA VAL A 37 -0.851 -8.391 -13.152 1.00 0.00 C ATOM 529 C VAL A 37 -0.029 -7.191 -12.692 1.00 0.00 C ATOM 530 O VAL A 37 0.824 -6.696 -13.429 1.00 0.00 O ATOM 531 CB VAL A 37 0.078 -9.595 -13.421 1.00 0.00 C ATOM 532 CG1 VAL A 37 0.794 -9.429 -14.752 1.00 0.00 C ATOM 533 CG2 VAL A 37 1.077 -9.783 -12.285 1.00 0.00 C ATOM 0 H VAL A 37 -1.171 -7.400 -14.967 1.00 0.00 H new ATOM 0 HA VAL A 37 -1.549 -8.665 -12.361 1.00 0.00 H new ATOM 0 HB VAL A 37 -0.538 -10.493 -13.473 1.00 0.00 H new ATOM 0 HG11 VAL A 37 1.444 -10.287 -14.925 1.00 0.00 H new ATOM 0 HG12 VAL A 37 0.059 -9.363 -15.555 1.00 0.00 H new ATOM 0 HG13 VAL A 37 1.392 -8.518 -14.732 1.00 0.00 H new ATOM 0 HG21 VAL A 37 1.718 -10.638 -12.502 1.00 0.00 H new ATOM 0 HG22 VAL A 37 1.689 -8.886 -12.187 1.00 0.00 H new ATOM 0 HG23 VAL A 37 0.540 -9.960 -11.353 1.00 0.00 H new ATOM 543 N HIS A 38 -0.285 -6.725 -11.473 1.00 0.00 N ATOM 544 CA HIS A 38 0.442 -5.584 -10.937 1.00 0.00 C ATOM 545 C HIS A 38 1.422 -6.012 -9.849 1.00 0.00 C ATOM 546 O HIS A 38 1.029 -6.373 -8.743 1.00 0.00 O ATOM 547 CB HIS A 38 -0.536 -4.550 -10.377 1.00 0.00 C ATOM 548 CG HIS A 38 0.097 -3.225 -10.083 1.00 0.00 C ATOM 549 ND1 HIS A 38 -0.533 -2.233 -9.361 1.00 0.00 N ATOM 550 CD2 HIS A 38 1.312 -2.730 -10.418 1.00 0.00 C ATOM 551 CE1 HIS A 38 0.267 -1.186 -9.265 1.00 0.00 C ATOM 552 NE2 HIS A 38 1.392 -1.462 -9.898 1.00 0.00 N ATOM 0 H HIS A 38 -0.985 -7.118 -10.844 1.00 0.00 H new ATOM 0 HA HIS A 38 1.012 -5.138 -11.752 1.00 0.00 H new ATOM 0 HB2 HIS A 38 -1.347 -4.406 -11.091 1.00 0.00 H new ATOM 0 HB3 HIS A 38 -0.982 -4.941 -9.463 1.00 0.00 H new ATOM 0 HD2 HIS A 38 2.076 -3.238 -10.988 1.00 0.00 H new ATOM 0 HE1 HIS A 38 0.039 -0.261 -8.755 1.00 0.00 H new ATOM 0 HE2 HIS A 38 2.191 -0.835 -9.986 1.00 0.00 H new ATOM 561 N THR A 39 2.701 -5.936 -10.179 1.00 0.00 N ATOM 562 CA THR A 39 3.779 -6.284 -9.252 1.00 0.00 C ATOM 563 C THR A 39 4.255 -5.028 -8.526 1.00 0.00 C ATOM 564 O THR A 39 4.920 -4.179 -9.120 1.00 0.00 O ATOM 565 CB THR A 39 4.952 -6.892 -10.032 1.00 0.00 C ATOM 566 OG1 THR A 39 4.584 -8.128 -10.617 1.00 0.00 O ATOM 567 CG2 THR A 39 6.187 -7.130 -9.186 1.00 0.00 C ATOM 0 H THR A 39 3.027 -5.632 -11.096 1.00 0.00 H new ATOM 0 HA THR A 39 3.409 -7.008 -8.526 1.00 0.00 H new ATOM 0 HB THR A 39 5.197 -6.153 -10.795 1.00 0.00 H new ATOM 0 HG1 THR A 39 5.347 -8.497 -11.110 1.00 0.00 H new ATOM 0 HG21 THR A 39 6.974 -7.561 -9.805 1.00 0.00 H new ATOM 0 HG22 THR A 39 6.530 -6.183 -8.769 1.00 0.00 H new ATOM 0 HG23 THR A 39 5.946 -7.817 -8.375 1.00 0.00 H new ATOM 575 N VAL A 40 3.920 -4.908 -7.249 1.00 0.00 N ATOM 576 CA VAL A 40 4.329 -3.747 -6.470 1.00 0.00 C ATOM 577 C VAL A 40 5.608 -4.043 -5.701 1.00 0.00 C ATOM 578 O VAL A 40 5.605 -4.846 -4.769 1.00 0.00 O ATOM 579 CB VAL A 40 3.234 -3.314 -5.476 1.00 0.00 C ATOM 580 CG1 VAL A 40 3.632 -2.025 -4.772 1.00 0.00 C ATOM 581 CG2 VAL A 40 1.898 -3.154 -6.187 1.00 0.00 C ATOM 0 H VAL A 40 3.370 -5.595 -6.733 1.00 0.00 H new ATOM 0 HA VAL A 40 4.502 -2.934 -7.175 1.00 0.00 H new ATOM 0 HB VAL A 40 3.125 -4.093 -4.722 1.00 0.00 H new ATOM 0 HG11 VAL A 40 2.847 -1.734 -4.074 1.00 0.00 H new ATOM 0 HG12 VAL A 40 4.563 -2.181 -4.227 1.00 0.00 H new ATOM 0 HG13 VAL A 40 3.772 -1.235 -5.510 1.00 0.00 H new ATOM 0 HG21 VAL A 40 1.138 -2.848 -5.468 1.00 0.00 H new ATOM 0 HG22 VAL A 40 1.988 -2.396 -6.965 1.00 0.00 H new ATOM 0 HG23 VAL A 40 1.610 -4.104 -6.638 1.00 0.00 H new ATOM 591 N VAL A 41 6.706 -3.401 -6.094 1.00 0.00 N ATOM 592 CA VAL A 41 7.975 -3.629 -5.421 1.00 0.00 C ATOM 593 C VAL A 41 8.013 -2.955 -4.062 1.00 0.00 C ATOM 594 O VAL A 41 8.255 -1.754 -3.955 1.00 0.00 O ATOM 595 CB VAL A 41 9.190 -3.164 -6.242 1.00 0.00 C ATOM 596 CG1 VAL A 41 10.481 -3.666 -5.596 1.00 0.00 C ATOM 597 CG2 VAL A 41 9.081 -3.648 -7.680 1.00 0.00 C ATOM 0 H VAL A 41 6.740 -2.731 -6.862 1.00 0.00 H new ATOM 0 HA VAL A 41 8.044 -4.710 -5.300 1.00 0.00 H new ATOM 0 HB VAL A 41 9.209 -2.074 -6.255 1.00 0.00 H new ATOM 0 HG11 VAL A 41 11.336 -3.332 -6.184 1.00 0.00 H new ATOM 0 HG12 VAL A 41 10.560 -3.269 -4.584 1.00 0.00 H new ATOM 0 HG13 VAL A 41 10.470 -4.755 -5.559 1.00 0.00 H new ATOM 0 HG21 VAL A 41 9.949 -3.309 -8.245 1.00 0.00 H new ATOM 0 HG22 VAL A 41 9.041 -4.737 -7.695 1.00 0.00 H new ATOM 0 HG23 VAL A 41 8.175 -3.245 -8.132 1.00 0.00 H new ATOM 607 N LEU A 42 7.791 -3.749 -3.023 1.00 0.00 N ATOM 608 CA LEU A 42 7.815 -3.255 -1.653 1.00 0.00 C ATOM 609 C LEU A 42 9.093 -2.469 -1.380 1.00 0.00 C ATOM 610 O LEU A 42 9.145 -1.645 -0.466 1.00 0.00 O ATOM 611 CB LEU A 42 7.717 -4.430 -0.689 1.00 0.00 C ATOM 612 CG LEU A 42 6.354 -5.128 -0.661 1.00 0.00 C ATOM 613 CD1 LEU A 42 6.467 -6.530 -0.075 1.00 0.00 C ATOM 614 CD2 LEU A 42 5.350 -4.298 0.127 1.00 0.00 C ATOM 0 H LEU A 42 7.591 -4.746 -3.105 1.00 0.00 H new ATOM 0 HA LEU A 42 6.966 -2.587 -1.509 1.00 0.00 H new ATOM 0 HB2 LEU A 42 8.479 -5.163 -0.954 1.00 0.00 H new ATOM 0 HB3 LEU A 42 7.949 -4.077 0.316 1.00 0.00 H new ATOM 0 HG LEU A 42 6.000 -5.222 -1.688 1.00 0.00 H new ATOM 0 HD11 LEU A 42 5.484 -7.002 -0.068 1.00 0.00 H new ATOM 0 HD12 LEU A 42 7.150 -7.124 -0.682 1.00 0.00 H new ATOM 0 HD13 LEU A 42 6.848 -6.469 0.945 1.00 0.00 H new ATOM 0 HD21 LEU A 42 4.386 -4.807 0.138 1.00 0.00 H new ATOM 0 HD22 LEU A 42 5.705 -4.172 1.150 1.00 0.00 H new ATOM 0 HD23 LEU A 42 5.239 -3.320 -0.342 1.00 0.00 H new ATOM 626 N SER A 43 10.119 -2.721 -2.188 1.00 0.00 N ATOM 627 CA SER A 43 11.392 -2.027 -2.041 1.00 0.00 C ATOM 628 C SER A 43 11.183 -0.544 -2.261 1.00 0.00 C ATOM 629 O SER A 43 11.641 0.292 -1.482 1.00 0.00 O ATOM 630 CB SER A 43 12.423 -2.568 -3.033 1.00 0.00 C ATOM 631 OG SER A 43 13.741 -2.411 -2.535 1.00 0.00 O ATOM 0 H SER A 43 10.093 -3.399 -2.949 1.00 0.00 H new ATOM 0 HA SER A 43 11.772 -2.196 -1.033 1.00 0.00 H new ATOM 0 HB2 SER A 43 12.227 -3.623 -3.227 1.00 0.00 H new ATOM 0 HB3 SER A 43 12.326 -2.046 -3.985 1.00 0.00 H new ATOM 0 HG SER A 43 13.802 -2.808 -1.641 1.00 0.00 H new ATOM 637 N THR A 44 10.457 -0.235 -3.320 1.00 0.00 N ATOM 638 CA THR A 44 10.136 1.133 -3.654 1.00 0.00 C ATOM 639 C THR A 44 9.059 1.653 -2.709 1.00 0.00 C ATOM 640 O THR A 44 8.896 2.862 -2.542 1.00 0.00 O ATOM 641 CB THR A 44 9.659 1.219 -5.101 1.00 0.00 C ATOM 642 OG1 THR A 44 8.943 0.052 -5.464 1.00 0.00 O ATOM 643 CG2 THR A 44 10.787 1.390 -6.093 1.00 0.00 C ATOM 0 H THR A 44 10.077 -0.925 -3.968 1.00 0.00 H new ATOM 0 HA THR A 44 11.029 1.749 -3.545 1.00 0.00 H new ATOM 0 HB THR A 44 9.022 2.102 -5.142 1.00 0.00 H new ATOM 0 HG1 THR A 44 8.398 -0.247 -4.706 1.00 0.00 H new ATOM 0 HG21 THR A 44 10.379 1.444 -7.102 1.00 0.00 H new ATOM 0 HG22 THR A 44 11.330 2.309 -5.871 1.00 0.00 H new ATOM 0 HG23 THR A 44 11.466 0.541 -6.021 1.00 0.00 H new ATOM 651 N ILE A 45 8.328 0.728 -2.080 1.00 0.00 N ATOM 652 CA ILE A 45 7.275 1.106 -1.142 1.00 0.00 C ATOM 653 C ILE A 45 7.865 1.479 0.213 1.00 0.00 C ATOM 654 O ILE A 45 8.644 0.721 0.791 1.00 0.00 O ATOM 655 CB ILE A 45 6.246 -0.026 -0.945 1.00 0.00 C ATOM 656 CG1 ILE A 45 5.751 -0.539 -2.298 1.00 0.00 C ATOM 657 CG2 ILE A 45 5.078 0.463 -0.100 1.00 0.00 C ATOM 658 CD1 ILE A 45 4.949 0.481 -3.077 1.00 0.00 C ATOM 0 H ILE A 45 8.446 -0.278 -2.203 1.00 0.00 H new ATOM 0 HA ILE A 45 6.766 1.968 -1.573 1.00 0.00 H new ATOM 0 HB ILE A 45 6.731 -0.850 -0.421 1.00 0.00 H new ATOM 0 HG12 ILE A 45 6.609 -0.848 -2.896 1.00 0.00 H new ATOM 0 HG13 ILE A 45 5.138 -1.426 -2.138 1.00 0.00 H new ATOM 0 HG21 ILE A 45 4.360 -0.346 0.031 1.00 0.00 H new ATOM 0 HG22 ILE A 45 5.444 0.785 0.875 1.00 0.00 H new ATOM 0 HG23 ILE A 45 4.593 1.301 -0.600 1.00 0.00 H new ATOM 0 HD11 ILE A 45 4.631 0.047 -4.025 1.00 0.00 H new ATOM 0 HD12 ILE A 45 4.072 0.772 -2.499 1.00 0.00 H new ATOM 0 HD13 ILE A 45 5.565 1.359 -3.268 1.00 0.00 H new ATOM 670 N ASP A 46 7.493 2.652 0.714 1.00 0.00 N ATOM 671 CA ASP A 46 7.991 3.126 2.001 1.00 0.00 C ATOM 672 C ASP A 46 6.862 3.269 3.022 1.00 0.00 C ATOM 673 O ASP A 46 7.103 3.635 4.173 1.00 0.00 O ATOM 674 CB ASP A 46 8.708 4.467 1.829 1.00 0.00 C ATOM 675 CG ASP A 46 10.201 4.302 1.623 1.00 0.00 C ATOM 676 OD1 ASP A 46 10.597 3.437 0.815 1.00 0.00 O ATOM 677 OD2 ASP A 46 10.974 5.039 2.272 1.00 0.00 O ATOM 0 H ASP A 46 6.849 3.292 0.249 1.00 0.00 H new ATOM 0 HA ASP A 46 8.695 2.383 2.377 1.00 0.00 H new ATOM 0 HB2 ASP A 46 8.283 4.997 0.976 1.00 0.00 H new ATOM 0 HB3 ASP A 46 8.532 5.086 2.709 1.00 0.00 H new ATOM 682 N LYS A 47 5.632 2.982 2.603 1.00 0.00 N ATOM 683 CA LYS A 47 4.483 3.086 3.494 1.00 0.00 C ATOM 684 C LYS A 47 3.462 1.990 3.210 1.00 0.00 C ATOM 685 O LYS A 47 3.257 1.596 2.062 1.00 0.00 O ATOM 686 CB LYS A 47 3.825 4.460 3.357 1.00 0.00 C ATOM 687 CG LYS A 47 4.061 5.368 4.553 1.00 0.00 C ATOM 688 CD LYS A 47 5.305 6.221 4.368 1.00 0.00 C ATOM 689 CE LYS A 47 5.003 7.482 3.575 1.00 0.00 C ATOM 690 NZ LYS A 47 5.762 8.656 4.089 1.00 0.00 N ATOM 0 H LYS A 47 5.407 2.677 1.656 1.00 0.00 H new ATOM 0 HA LYS A 47 4.842 2.962 4.516 1.00 0.00 H new ATOM 0 HB2 LYS A 47 4.205 4.948 2.460 1.00 0.00 H new ATOM 0 HB3 LYS A 47 2.752 4.328 3.217 1.00 0.00 H new ATOM 0 HG2 LYS A 47 3.194 6.013 4.698 1.00 0.00 H new ATOM 0 HG3 LYS A 47 4.163 4.764 5.455 1.00 0.00 H new ATOM 0 HD2 LYS A 47 5.710 6.491 5.343 1.00 0.00 H new ATOM 0 HD3 LYS A 47 6.072 5.641 3.854 1.00 0.00 H new ATOM 0 HE2 LYS A 47 5.252 7.320 2.526 1.00 0.00 H new ATOM 0 HE3 LYS A 47 3.934 7.692 3.620 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 5.528 9.496 3.522 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 5.506 8.827 5.082 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 6.782 8.466 4.022 1.00 0.00 H new ATOM 704 N LEU A 48 2.821 1.511 4.268 1.00 0.00 N ATOM 705 CA LEU A 48 1.809 0.467 4.153 1.00 0.00 C ATOM 706 C LEU A 48 0.834 0.544 5.321 1.00 0.00 C ATOM 707 O LEU A 48 1.245 0.663 6.475 1.00 0.00 O ATOM 708 CB LEU A 48 2.462 -0.914 4.108 1.00 0.00 C ATOM 709 CG LEU A 48 1.482 -2.081 3.944 1.00 0.00 C ATOM 710 CD1 LEU A 48 1.758 -2.836 2.653 1.00 0.00 C ATOM 711 CD2 LEU A 48 1.561 -3.017 5.141 1.00 0.00 C ATOM 0 H LEU A 48 2.985 1.831 5.222 1.00 0.00 H new ATOM 0 HA LEU A 48 1.261 0.623 3.224 1.00 0.00 H new ATOM 0 HB2 LEU A 48 3.175 -0.937 3.284 1.00 0.00 H new ATOM 0 HB3 LEU A 48 3.031 -1.062 5.026 1.00 0.00 H new ATOM 0 HG LEU A 48 0.472 -1.676 3.892 1.00 0.00 H new ATOM 0 HD11 LEU A 48 1.052 -3.660 2.556 1.00 0.00 H new ATOM 0 HD12 LEU A 48 1.646 -2.160 1.805 1.00 0.00 H new ATOM 0 HD13 LEU A 48 2.774 -3.229 2.672 1.00 0.00 H new ATOM 0 HD21 LEU A 48 0.858 -3.839 5.007 1.00 0.00 H new ATOM 0 HD22 LEU A 48 2.572 -3.414 5.226 1.00 0.00 H new ATOM 0 HD23 LEU A 48 1.309 -2.469 6.049 1.00 0.00 H new ATOM 723 N GLN A 49 -0.458 0.488 5.019 1.00 0.00 N ATOM 724 CA GLN A 49 -1.482 0.566 6.053 1.00 0.00 C ATOM 725 C GLN A 49 -2.715 -0.251 5.676 1.00 0.00 C ATOM 726 O GLN A 49 -3.205 -0.165 4.551 1.00 0.00 O ATOM 727 CB GLN A 49 -1.898 2.022 6.283 1.00 0.00 C ATOM 728 CG GLN A 49 -0.801 3.040 6.004 1.00 0.00 C ATOM 729 CD GLN A 49 -0.711 3.413 4.537 1.00 0.00 C ATOM 730 OE1 GLN A 49 0.084 2.847 3.788 1.00 0.00 O ATOM 731 NE2 GLN A 49 -1.528 4.374 4.120 1.00 0.00 N ATOM 0 H GLN A 49 -0.820 0.389 4.071 1.00 0.00 H new ATOM 0 HA GLN A 49 -1.055 0.155 6.968 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -2.756 2.247 5.649 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -2.227 2.134 7.316 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -0.986 3.938 6.593 1.00 0.00 H new ATOM 0 HG3 GLN A 49 0.157 2.636 6.332 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -2.172 4.816 4.776 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -1.512 4.669 3.144 1.00 0.00 H new ATOM 740 N ALA A 50 -3.232 -1.017 6.631 1.00 0.00 N ATOM 741 CA ALA A 50 -4.431 -1.817 6.402 1.00 0.00 C ATOM 742 C ALA A 50 -5.546 -1.347 7.311 1.00 0.00 C ATOM 743 O ALA A 50 -5.312 -1.009 8.467 1.00 0.00 O ATOM 744 CB ALA A 50 -4.173 -3.289 6.627 1.00 0.00 C ATOM 0 H ALA A 50 -2.841 -1.101 7.569 1.00 0.00 H new ATOM 0 HA ALA A 50 -4.725 -1.685 5.361 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -5.090 -3.851 6.447 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -3.397 -3.631 5.942 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -3.846 -3.448 7.655 1.00 0.00 H new ATOM 750 N THR A 51 -6.754 -1.312 6.787 1.00 0.00 N ATOM 751 CA THR A 51 -7.888 -0.845 7.570 1.00 0.00 C ATOM 752 C THR A 51 -8.410 -1.895 8.549 1.00 0.00 C ATOM 753 O THR A 51 -8.842 -2.979 8.155 1.00 0.00 O ATOM 754 CB THR A 51 -9.003 -0.359 6.657 1.00 0.00 C ATOM 755 OG1 THR A 51 -9.254 -1.290 5.621 1.00 0.00 O ATOM 756 CG2 THR A 51 -8.679 0.972 6.023 1.00 0.00 C ATOM 0 H THR A 51 -6.978 -1.597 5.834 1.00 0.00 H new ATOM 0 HA THR A 51 -7.530 -0.010 8.173 1.00 0.00 H new ATOM 0 HB THR A 51 -9.885 -0.250 7.288 1.00 0.00 H new ATOM 0 HG1 THR A 51 -8.680 -1.088 4.853 1.00 0.00 H new ATOM 0 HG21 THR A 51 -9.504 1.279 5.380 1.00 0.00 H new ATOM 0 HG22 THR A 51 -8.529 1.719 6.802 1.00 0.00 H new ATOM 0 HG23 THR A 51 -7.770 0.880 5.429 1.00 0.00 H new ATOM 764 N PRO A 52 -8.386 -1.558 9.852 1.00 0.00 N ATOM 765 CA PRO A 52 -8.860 -2.423 10.925 1.00 0.00 C ATOM 766 C PRO A 52 -10.356 -2.266 11.145 1.00 0.00 C ATOM 767 O PRO A 52 -10.971 -1.342 10.614 1.00 0.00 O ATOM 768 CB PRO A 52 -8.087 -1.916 12.135 1.00 0.00 C ATOM 769 CG PRO A 52 -7.921 -0.457 11.887 1.00 0.00 C ATOM 770 CD PRO A 52 -7.900 -0.270 10.388 1.00 0.00 C ATOM 0 HA PRO A 52 -8.705 -3.481 10.716 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -8.632 -2.102 13.060 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -7.122 -2.415 12.227 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -8.739 0.107 12.336 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -6.997 -0.091 12.335 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -8.542 0.556 10.081 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -6.896 -0.044 10.030 1.00 0.00 H new ATOM 778 N ALA A 53 -10.942 -3.173 11.919 1.00 0.00 N ATOM 779 CA ALA A 53 -12.376 -3.138 12.209 1.00 0.00 C ATOM 780 C ALA A 53 -12.848 -1.776 12.753 1.00 0.00 C ATOM 781 O ALA A 53 -13.992 -1.651 13.189 1.00 0.00 O ATOM 782 CB ALA A 53 -12.732 -4.242 13.192 1.00 0.00 C ATOM 0 H ALA A 53 -10.445 -3.947 12.360 1.00 0.00 H new ATOM 0 HA ALA A 53 -12.894 -3.296 11.263 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -13.801 -4.210 13.403 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -12.476 -5.210 12.761 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -12.175 -4.099 14.118 1.00 0.00 H new ATOM 788 N SER A 54 -11.986 -0.757 12.714 1.00 0.00 N ATOM 789 CA SER A 54 -12.351 0.574 13.191 1.00 0.00 C ATOM 790 C SER A 54 -13.511 1.117 12.383 1.00 0.00 C ATOM 791 O SER A 54 -14.344 1.876 12.880 1.00 0.00 O ATOM 792 CB SER A 54 -11.165 1.509 13.024 1.00 0.00 C ATOM 793 OG SER A 54 -10.059 1.082 13.800 1.00 0.00 O ATOM 0 H SER A 54 -11.033 -0.830 12.357 1.00 0.00 H new ATOM 0 HA SER A 54 -12.637 0.506 14.241 1.00 0.00 H new ATOM 0 HB2 SER A 54 -10.879 1.553 11.973 1.00 0.00 H new ATOM 0 HB3 SER A 54 -11.451 2.519 13.319 1.00 0.00 H new ATOM 0 HG SER A 54 -9.311 1.701 13.671 1.00 0.00 H new ATOM 799 N SER A 55 -13.549 0.708 11.133 1.00 0.00 N ATOM 800 CA SER A 55 -14.593 1.121 10.214 1.00 0.00 C ATOM 801 C SER A 55 -15.162 -0.090 9.482 1.00 0.00 C ATOM 802 O SER A 55 -14.533 -1.145 9.436 1.00 0.00 O ATOM 803 CB SER A 55 -14.020 2.120 9.213 1.00 0.00 C ATOM 804 OG SER A 55 -14.893 3.222 9.030 1.00 0.00 O ATOM 0 H SER A 55 -12.858 0.080 10.723 1.00 0.00 H new ATOM 0 HA SER A 55 -15.399 1.594 10.775 1.00 0.00 H new ATOM 0 HB2 SER A 55 -13.051 2.475 9.564 1.00 0.00 H new ATOM 0 HB3 SER A 55 -13.851 1.624 8.257 1.00 0.00 H new ATOM 0 HG SER A 55 -14.500 3.847 8.385 1.00 0.00 H new ATOM 810 N GLU A 56 -16.346 0.066 8.899 1.00 0.00 N ATOM 811 CA GLU A 56 -16.971 -1.024 8.157 1.00 0.00 C ATOM 812 C GLU A 56 -16.185 -1.316 6.878 1.00 0.00 C ATOM 813 O GLU A 56 -16.424 -2.315 6.200 1.00 0.00 O ATOM 814 CB GLU A 56 -18.420 -0.671 7.812 1.00 0.00 C ATOM 815 CG GLU A 56 -18.568 0.668 7.107 1.00 0.00 C ATOM 816 CD GLU A 56 -19.650 1.535 7.721 1.00 0.00 C ATOM 817 OE1 GLU A 56 -20.549 0.980 8.387 1.00 0.00 O ATOM 818 OE2 GLU A 56 -19.597 2.769 7.536 1.00 0.00 O ATOM 0 H GLU A 56 -16.889 0.929 8.925 1.00 0.00 H new ATOM 0 HA GLU A 56 -16.966 -1.916 8.784 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -18.835 -1.454 7.178 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -19.010 -0.657 8.728 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -17.617 1.200 7.143 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -18.798 0.497 6.055 1.00 0.00 H new ATOM 825 N LYS A 57 -15.252 -0.422 6.559 1.00 0.00 N ATOM 826 CA LYS A 57 -14.416 -0.540 5.371 1.00 0.00 C ATOM 827 C LYS A 57 -13.736 -1.902 5.260 1.00 0.00 C ATOM 828 O LYS A 57 -14.033 -2.831 6.011 1.00 0.00 O ATOM 829 CB LYS A 57 -13.363 0.575 5.374 1.00 0.00 C ATOM 830 CG LYS A 57 -12.082 0.230 6.130 1.00 0.00 C ATOM 831 CD LYS A 57 -12.360 -0.295 7.533 1.00 0.00 C ATOM 832 CE LYS A 57 -11.817 -1.706 7.720 1.00 0.00 C ATOM 833 NZ LYS A 57 -12.834 -2.625 8.301 1.00 0.00 N ATOM 0 H LYS A 57 -15.055 0.407 7.120 1.00 0.00 H new ATOM 0 HA LYS A 57 -15.068 -0.442 4.503 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -13.107 0.820 4.343 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -13.801 1.471 5.815 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -11.523 -0.519 5.569 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -11.451 1.117 6.195 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -11.907 0.370 8.268 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -13.434 -0.290 7.718 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -11.484 -2.096 6.758 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -10.943 -1.674 8.371 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -12.356 -3.386 8.824 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -13.451 -2.095 8.949 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -13.407 -3.037 7.537 1.00 0.00 H new ATOM 847 N MET A 58 -12.822 -1.997 4.298 1.00 0.00 N ATOM 848 CA MET A 58 -12.082 -3.225 4.042 1.00 0.00 C ATOM 849 C MET A 58 -11.112 -3.021 2.880 1.00 0.00 C ATOM 850 O MET A 58 -11.389 -3.434 1.753 1.00 0.00 O ATOM 851 CB MET A 58 -13.053 -4.359 3.713 1.00 0.00 C ATOM 852 CG MET A 58 -13.941 -4.060 2.513 1.00 0.00 C ATOM 853 SD MET A 58 -15.683 -4.409 2.820 1.00 0.00 S ATOM 854 CE MET A 58 -15.571 -5.945 3.733 1.00 0.00 C ATOM 0 H MET A 58 -12.575 -1.226 3.677 1.00 0.00 H new ATOM 0 HA MET A 58 -11.515 -3.487 4.935 1.00 0.00 H new ATOM 0 HB2 MET A 58 -12.486 -5.269 3.519 1.00 0.00 H new ATOM 0 HB3 MET A 58 -13.681 -4.554 4.582 1.00 0.00 H new ATOM 0 HG2 MET A 58 -13.829 -3.011 2.238 1.00 0.00 H new ATOM 0 HG3 MET A 58 -13.603 -4.651 1.662 1.00 0.00 H new ATOM 0 HE1 MET A 58 -16.270 -6.669 3.315 1.00 0.00 H new ATOM 0 HE2 MET A 58 -14.557 -6.338 3.662 1.00 0.00 H new ATOM 0 HE3 MET A 58 -15.818 -5.765 4.779 1.00 0.00 H new ATOM 864 N MET A 59 -9.981 -2.374 3.150 1.00 0.00 N ATOM 865 CA MET A 59 -8.993 -2.116 2.106 1.00 0.00 C ATOM 866 C MET A 59 -7.581 -1.962 2.667 1.00 0.00 C ATOM 867 O MET A 59 -7.388 -1.634 3.838 1.00 0.00 O ATOM 868 CB MET A 59 -9.356 -0.861 1.282 1.00 0.00 C ATOM 869 CG MET A 59 -10.521 -0.036 1.818 1.00 0.00 C ATOM 870 SD MET A 59 -10.306 0.453 3.537 1.00 0.00 S ATOM 871 CE MET A 59 -10.423 2.235 3.423 1.00 0.00 C ATOM 0 H MET A 59 -9.727 -2.022 4.073 1.00 0.00 H new ATOM 0 HA MET A 59 -9.008 -2.990 1.455 1.00 0.00 H new ATOM 0 HB2 MET A 59 -8.477 -0.220 1.223 1.00 0.00 H new ATOM 0 HB3 MET A 59 -9.592 -1.172 0.264 1.00 0.00 H new ATOM 0 HG2 MET A 59 -10.639 0.857 1.204 1.00 0.00 H new ATOM 0 HG3 MET A 59 -11.441 -0.612 1.723 1.00 0.00 H new ATOM 0 HE1 MET A 59 -9.449 2.678 3.630 1.00 0.00 H new ATOM 0 HE2 MET A 59 -10.743 2.515 2.419 1.00 0.00 H new ATOM 0 HE3 MET A 59 -11.149 2.599 4.150 1.00 0.00 H new ATOM 881 N LEU A 60 -6.599 -2.182 1.793 1.00 0.00 N ATOM 882 CA LEU A 60 -5.188 -2.056 2.143 1.00 0.00 C ATOM 883 C LEU A 60 -4.586 -0.884 1.367 1.00 0.00 C ATOM 884 O LEU A 60 -4.768 -0.780 0.156 1.00 0.00 O ATOM 885 CB LEU A 60 -4.433 -3.358 1.822 1.00 0.00 C ATOM 886 CG LEU A 60 -3.808 -4.068 3.031 1.00 0.00 C ATOM 887 CD1 LEU A 60 -3.361 -5.484 2.668 1.00 0.00 C ATOM 888 CD2 LEU A 60 -2.637 -3.262 3.572 1.00 0.00 C ATOM 0 H LEU A 60 -6.761 -2.452 0.823 1.00 0.00 H new ATOM 0 HA LEU A 60 -5.095 -1.870 3.213 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -5.122 -4.047 1.333 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -3.643 -3.134 1.105 1.00 0.00 H new ATOM 0 HG LEU A 60 -4.569 -4.145 3.808 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -2.922 -5.963 3.543 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -4.222 -6.062 2.331 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -2.620 -5.438 1.870 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -2.205 -3.779 4.429 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -1.881 -3.153 2.795 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -2.985 -2.276 3.881 1.00 0.00 H new ATOM 900 N ARG A 61 -3.889 0.007 2.065 1.00 0.00 N ATOM 901 CA ARG A 61 -3.292 1.178 1.423 1.00 0.00 C ATOM 902 C ARG A 61 -1.772 1.167 1.557 1.00 0.00 C ATOM 903 O ARG A 61 -1.237 1.070 2.659 1.00 0.00 O ATOM 904 CB ARG A 61 -3.857 2.461 2.043 1.00 0.00 C ATOM 905 CG ARG A 61 -3.187 3.734 1.543 1.00 0.00 C ATOM 906 CD ARG A 61 -3.577 4.047 0.107 1.00 0.00 C ATOM 907 NE ARG A 61 -4.376 5.266 0.010 1.00 0.00 N ATOM 908 CZ ARG A 61 -4.605 5.913 -1.131 1.00 0.00 C ATOM 909 NH1 ARG A 61 -4.099 5.462 -2.272 1.00 0.00 N ATOM 910 NH2 ARG A 61 -5.344 7.014 -1.131 1.00 0.00 N ATOM 0 H ARG A 61 -3.723 -0.056 3.069 1.00 0.00 H new ATOM 0 HA ARG A 61 -3.542 1.145 0.363 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -4.925 2.516 1.830 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -3.750 2.407 3.126 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -3.466 4.569 2.186 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -2.104 3.627 1.611 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -2.677 4.155 -0.498 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -4.140 3.210 -0.306 1.00 0.00 H new ATOM 0 HE ARG A 61 -4.782 5.644 0.866 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -3.531 4.615 -2.278 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -4.278 5.962 -3.143 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -5.737 7.365 -0.257 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -5.520 7.510 -2.005 1.00 0.00 H new ATOM 924 N LEU A 62 -1.085 1.274 0.424 1.00 0.00 N ATOM 925 CA LEU A 62 0.374 1.283 0.409 1.00 0.00 C ATOM 926 C LEU A 62 0.898 2.427 -0.455 1.00 0.00 C ATOM 927 O LEU A 62 0.466 2.604 -1.594 1.00 0.00 O ATOM 928 CB LEU A 62 0.919 -0.055 -0.105 1.00 0.00 C ATOM 929 CG LEU A 62 -0.061 -0.884 -0.939 1.00 0.00 C ATOM 930 CD1 LEU A 62 0.691 -1.800 -1.892 1.00 0.00 C ATOM 931 CD2 LEU A 62 -0.979 -1.690 -0.033 1.00 0.00 C ATOM 0 H LEU A 62 -1.516 1.356 -0.497 1.00 0.00 H new ATOM 0 HA LEU A 62 0.720 1.431 1.432 1.00 0.00 H new ATOM 0 HB2 LEU A 62 1.807 0.140 -0.706 1.00 0.00 H new ATOM 0 HB3 LEU A 62 1.237 -0.651 0.750 1.00 0.00 H new ATOM 0 HG LEU A 62 -0.673 -0.203 -1.531 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -0.022 -2.381 -2.476 1.00 0.00 H new ATOM 0 HD12 LEU A 62 1.307 -1.201 -2.563 1.00 0.00 H new ATOM 0 HD13 LEU A 62 1.328 -2.475 -1.321 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -1.670 -2.274 -0.641 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -0.383 -2.362 0.585 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -1.544 -1.013 0.608 1.00 0.00 H new ATOM 943 N ILE A 63 1.828 3.201 0.094 1.00 0.00 N ATOM 944 CA ILE A 63 2.407 4.327 -0.628 1.00 0.00 C ATOM 945 C ILE A 63 3.818 4.000 -1.112 1.00 0.00 C ATOM 946 O ILE A 63 4.627 3.444 -0.369 1.00 0.00 O ATOM 947 CB ILE A 63 2.430 5.598 0.251 1.00 0.00 C ATOM 948 CG1 ILE A 63 1.041 6.231 0.288 1.00 0.00 C ATOM 949 CG2 ILE A 63 3.454 6.607 -0.247 1.00 0.00 C ATOM 950 CD1 ILE A 63 0.404 6.175 1.651 1.00 0.00 C ATOM 0 H ILE A 63 2.196 3.069 1.036 1.00 0.00 H new ATOM 0 HA ILE A 63 1.777 4.518 -1.497 1.00 0.00 H new ATOM 0 HB ILE A 63 2.721 5.303 1.259 1.00 0.00 H new ATOM 0 HG12 ILE A 63 1.113 7.271 -0.031 1.00 0.00 H new ATOM 0 HG13 ILE A 63 0.397 5.722 -0.429 1.00 0.00 H new ATOM 0 HG21 ILE A 63 3.441 7.487 0.396 1.00 0.00 H new ATOM 0 HG22 ILE A 63 4.447 6.158 -0.227 1.00 0.00 H new ATOM 0 HG23 ILE A 63 3.209 6.900 -1.268 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -0.581 6.641 1.612 1.00 0.00 H new ATOM 0 HD12 ILE A 63 0.302 5.135 1.962 1.00 0.00 H new ATOM 0 HD13 ILE A 63 1.029 6.708 2.367 1.00 0.00 H new ATOM 962 N GLY A 64 4.105 4.350 -2.362 1.00 0.00 N ATOM 963 CA GLY A 64 5.415 4.087 -2.927 1.00 0.00 C ATOM 964 C GLY A 64 6.508 4.911 -2.275 1.00 0.00 C ATOM 965 O GLY A 64 6.455 5.189 -1.076 1.00 0.00 O ATOM 0 H GLY A 64 3.452 4.812 -2.995 1.00 0.00 H new ATOM 0 HA2 GLY A 64 5.648 3.028 -2.816 1.00 0.00 H new ATOM 0 HA3 GLY A 64 5.395 4.299 -3.996 1.00 0.00 H new ATOM 1311 N ARG A 86 -0.024 7.022 -4.192 1.00 0.00 N ATOM 1312 CA ARG A 86 -0.640 6.182 -3.172 1.00 0.00 C ATOM 1313 C ARG A 86 -1.529 5.120 -3.810 1.00 0.00 C ATOM 1314 O ARG A 86 -2.398 5.432 -4.624 1.00 0.00 O ATOM 1315 CB ARG A 86 -1.460 7.036 -2.204 1.00 0.00 C ATOM 1316 CG ARG A 86 -0.750 8.304 -1.758 1.00 0.00 C ATOM 1317 CD ARG A 86 -1.306 8.820 -0.441 1.00 0.00 C ATOM 1318 NE ARG A 86 -0.850 10.176 -0.147 1.00 0.00 N ATOM 1319 CZ ARG A 86 -1.099 10.811 0.996 1.00 0.00 C ATOM 1320 NH1 ARG A 86 -1.800 10.217 1.954 1.00 0.00 N ATOM 1321 NH2 ARG A 86 -0.647 12.044 1.181 1.00 0.00 N ATOM 0 HA ARG A 86 0.155 5.682 -2.619 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -2.403 7.306 -2.680 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -1.706 6.439 -1.326 1.00 0.00 H new ATOM 0 HG2 ARG A 86 0.317 8.107 -1.651 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -0.857 9.071 -2.525 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -2.395 8.804 -0.476 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -1.003 8.153 0.366 1.00 0.00 H new ATOM 0 HE ARG A 86 -0.309 10.665 -0.860 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -2.151 9.269 1.816 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -1.988 10.708 2.828 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -0.109 12.505 0.448 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -0.838 12.531 2.057 1.00 0.00 H new ATOM 1335 N HIS A 87 -1.305 3.865 -3.436 1.00 0.00 N ATOM 1336 CA HIS A 87 -2.087 2.758 -3.973 1.00 0.00 C ATOM 1337 C HIS A 87 -3.098 2.261 -2.947 1.00 0.00 C ATOM 1338 O HIS A 87 -2.725 1.722 -1.905 1.00 0.00 O ATOM 1339 CB HIS A 87 -1.168 1.609 -4.393 1.00 0.00 C ATOM 1340 CG HIS A 87 0.041 2.054 -5.157 1.00 0.00 C ATOM 1341 ND1 HIS A 87 0.018 2.336 -6.506 1.00 0.00 N ATOM 1342 CD2 HIS A 87 1.317 2.262 -4.753 1.00 0.00 C ATOM 1343 CE1 HIS A 87 1.226 2.698 -6.899 1.00 0.00 C ATOM 1344 NE2 HIS A 87 2.032 2.662 -5.854 1.00 0.00 N ATOM 0 H HIS A 87 -0.589 3.589 -2.764 1.00 0.00 H new ATOM 0 HA HIS A 87 -2.627 3.120 -4.848 1.00 0.00 H new ATOM 0 HB2 HIS A 87 -0.846 1.069 -3.503 1.00 0.00 H new ATOM 0 HB3 HIS A 87 -1.735 0.907 -5.004 1.00 0.00 H new ATOM 0 HD2 HIS A 87 1.700 2.136 -3.751 1.00 0.00 H new ATOM 0 HE1 HIS A 87 1.507 2.976 -7.904 1.00 0.00 H new ATOM 0 HE2 HIS A 87 3.025 2.894 -5.863 1.00 0.00 H new ATOM 1353 N MET A 88 -4.379 2.442 -3.248 1.00 0.00 N ATOM 1354 CA MET A 88 -5.439 2.005 -2.349 1.00 0.00 C ATOM 1355 C MET A 88 -6.059 0.703 -2.841 1.00 0.00 C ATOM 1356 O MET A 88 -6.798 0.686 -3.825 1.00 0.00 O ATOM 1357 CB MET A 88 -6.519 3.081 -2.233 1.00 0.00 C ATOM 1358 CG MET A 88 -6.988 3.329 -0.808 1.00 0.00 C ATOM 1359 SD MET A 88 -8.036 2.007 -0.166 1.00 0.00 S ATOM 1360 CE MET A 88 -8.157 2.459 1.569 1.00 0.00 C ATOM 0 H MET A 88 -4.707 2.887 -4.105 1.00 0.00 H new ATOM 0 HA MET A 88 -5.000 1.835 -1.366 1.00 0.00 H new ATOM 0 HB2 MET A 88 -6.135 4.014 -2.647 1.00 0.00 H new ATOM 0 HB3 MET A 88 -7.375 2.790 -2.842 1.00 0.00 H new ATOM 0 HG2 MET A 88 -6.119 3.442 -0.160 1.00 0.00 H new ATOM 0 HG3 MET A 88 -7.537 4.270 -0.771 1.00 0.00 H new ATOM 0 HE1 MET A 88 -8.402 1.576 2.159 1.00 0.00 H new ATOM 0 HE2 MET A 88 -7.204 2.867 1.906 1.00 0.00 H new ATOM 0 HE3 MET A 88 -8.938 3.209 1.696 1.00 0.00 H new ATOM 1370 N PHE A 89 -5.761 -0.381 -2.141 1.00 0.00 N ATOM 1371 CA PHE A 89 -6.292 -1.690 -2.489 1.00 0.00 C ATOM 1372 C PHE A 89 -7.532 -1.979 -1.658 1.00 0.00 C ATOM 1373 O PHE A 89 -7.584 -1.623 -0.485 1.00 0.00 O ATOM 1374 CB PHE A 89 -5.231 -2.764 -2.253 1.00 0.00 C ATOM 1375 CG PHE A 89 -4.881 -3.531 -3.491 1.00 0.00 C ATOM 1376 CD1 PHE A 89 -5.875 -4.090 -4.275 1.00 0.00 C ATOM 1377 CD2 PHE A 89 -3.559 -3.689 -3.872 1.00 0.00 C ATOM 1378 CE1 PHE A 89 -5.557 -4.793 -5.419 1.00 0.00 C ATOM 1379 CE2 PHE A 89 -3.235 -4.391 -5.015 1.00 0.00 C ATOM 1380 CZ PHE A 89 -4.237 -4.943 -5.789 1.00 0.00 C ATOM 0 H PHE A 89 -5.151 -0.379 -1.324 1.00 0.00 H new ATOM 0 HA PHE A 89 -6.566 -1.698 -3.544 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -4.330 -2.295 -1.858 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -5.589 -3.458 -1.493 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -6.910 -3.975 -3.989 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -2.774 -3.258 -3.268 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -6.341 -5.225 -6.024 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -2.201 -4.508 -5.304 1.00 0.00 H new ATOM 0 HZ PHE A 89 -3.987 -5.492 -6.684 1.00 0.00 H new ATOM 1390 N SER A 90 -8.538 -2.607 -2.261 1.00 0.00 N ATOM 1391 CA SER A 90 -9.770 -2.901 -1.538 1.00 0.00 C ATOM 1392 C SER A 90 -10.356 -4.253 -1.919 1.00 0.00 C ATOM 1393 O SER A 90 -10.604 -4.531 -3.093 1.00 0.00 O ATOM 1394 CB SER A 90 -10.802 -1.805 -1.801 1.00 0.00 C ATOM 1395 OG SER A 90 -11.786 -1.775 -0.782 1.00 0.00 O ATOM 0 H SER A 90 -8.526 -2.917 -3.233 1.00 0.00 H new ATOM 0 HA SER A 90 -9.521 -2.936 -0.477 1.00 0.00 H new ATOM 0 HB2 SER A 90 -10.303 -0.838 -1.857 1.00 0.00 H new ATOM 0 HB3 SER A 90 -11.279 -1.974 -2.766 1.00 0.00 H new ATOM 0 HG SER A 90 -11.510 -2.358 -0.044 1.00 0.00 H new ATOM 1401 N PHE A 91 -10.599 -5.080 -0.907 1.00 0.00 N ATOM 1402 CA PHE A 91 -11.188 -6.395 -1.114 1.00 0.00 C ATOM 1403 C PHE A 91 -12.313 -6.622 -0.110 1.00 0.00 C ATOM 1404 O PHE A 91 -12.244 -6.159 1.027 1.00 0.00 O ATOM 1405 CB PHE A 91 -10.151 -7.529 -1.019 1.00 0.00 C ATOM 1406 CG PHE A 91 -8.814 -7.158 -0.431 1.00 0.00 C ATOM 1407 CD1 PHE A 91 -8.068 -6.102 -0.933 1.00 0.00 C ATOM 1408 CD2 PHE A 91 -8.292 -7.899 0.614 1.00 0.00 C ATOM 1409 CE1 PHE A 91 -6.833 -5.792 -0.396 1.00 0.00 C ATOM 1410 CE2 PHE A 91 -7.058 -7.597 1.147 1.00 0.00 C ATOM 1411 CZ PHE A 91 -6.328 -6.541 0.645 1.00 0.00 C ATOM 0 H PHE A 91 -10.395 -4.860 0.068 1.00 0.00 H new ATOM 0 HA PHE A 91 -11.588 -6.416 -2.128 1.00 0.00 H new ATOM 0 HB2 PHE A 91 -10.577 -8.334 -0.421 1.00 0.00 H new ATOM 0 HB3 PHE A 91 -9.987 -7.928 -2.020 1.00 0.00 H new ATOM 0 HD1 PHE A 91 -8.457 -5.516 -1.753 1.00 0.00 H new ATOM 0 HD2 PHE A 91 -8.859 -8.725 1.017 1.00 0.00 H new ATOM 0 HE1 PHE A 91 -6.264 -4.964 -0.792 1.00 0.00 H new ATOM 0 HE2 PHE A 91 -6.662 -8.188 1.959 1.00 0.00 H new ATOM 0 HZ PHE A 91 -5.363 -6.301 1.066 1.00 0.00 H new ATOM 1421 N ASN A 92 -13.353 -7.328 -0.542 1.00 0.00 N ATOM 1422 CA ASN A 92 -14.508 -7.607 0.308 1.00 0.00 C ATOM 1423 C ASN A 92 -14.108 -8.250 1.635 1.00 0.00 C ATOM 1424 O ASN A 92 -14.912 -8.310 2.565 1.00 0.00 O ATOM 1425 CB ASN A 92 -15.496 -8.514 -0.426 1.00 0.00 C ATOM 1426 CG ASN A 92 -14.862 -9.815 -0.878 1.00 0.00 C ATOM 1427 OD1 ASN A 92 -14.583 -10.697 -0.067 1.00 0.00 O ATOM 1428 ND2 ASN A 92 -14.630 -9.939 -2.180 1.00 0.00 N ATOM 0 H ASN A 92 -13.421 -7.720 -1.481 1.00 0.00 H new ATOM 0 HA ASN A 92 -14.980 -6.651 0.533 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -16.340 -8.733 0.229 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -15.894 -7.987 -1.293 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -14.204 -10.792 -2.543 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -14.878 -9.182 -2.817 1.00 0.00 H new ATOM 1435 N ASN A 93 -12.879 -8.744 1.721 1.00 0.00 N ATOM 1436 CA ASN A 93 -12.410 -9.389 2.942 1.00 0.00 C ATOM 1437 C ASN A 93 -11.794 -8.389 3.912 1.00 0.00 C ATOM 1438 O ASN A 93 -10.980 -7.551 3.527 1.00 0.00 O ATOM 1439 CB ASN A 93 -11.398 -10.486 2.609 1.00 0.00 C ATOM 1440 CG ASN A 93 -11.980 -11.556 1.706 1.00 0.00 C ATOM 1441 OD1 ASN A 93 -11.926 -11.447 0.481 1.00 0.00 O ATOM 1442 ND2 ASN A 93 -12.540 -12.598 2.309 1.00 0.00 N ATOM 0 H ASN A 93 -12.193 -8.711 0.966 1.00 0.00 H new ATOM 0 HA ASN A 93 -13.278 -9.833 3.429 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -10.529 -10.040 2.125 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -11.048 -10.946 3.533 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -12.948 -13.350 1.754 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -12.562 -12.647 3.328 1.00 0.00 H new ATOM 1449 N ARG A 94 -12.185 -8.502 5.179 1.00 0.00 N ATOM 1450 CA ARG A 94 -11.673 -7.629 6.230 1.00 0.00 C ATOM 1451 C ARG A 94 -10.650 -8.376 7.077 1.00 0.00 C ATOM 1452 O ARG A 94 -9.683 -7.792 7.565 1.00 0.00 O ATOM 1453 CB ARG A 94 -12.814 -7.129 7.118 1.00 0.00 C ATOM 1454 CG ARG A 94 -14.049 -6.701 6.345 1.00 0.00 C ATOM 1455 CD ARG A 94 -14.820 -5.616 7.081 1.00 0.00 C ATOM 1456 NE ARG A 94 -16.085 -6.113 7.619 1.00 0.00 N ATOM 1457 CZ ARG A 94 -16.188 -6.807 8.751 1.00 0.00 C ATOM 1458 NH1 ARG A 94 -15.107 -7.089 9.466 1.00 0.00 N ATOM 1459 NH2 ARG A 94 -17.377 -7.220 9.167 1.00 0.00 N ATOM 0 H ARG A 94 -12.860 -9.195 5.503 1.00 0.00 H new ATOM 0 HA ARG A 94 -11.193 -6.770 5.761 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -13.090 -7.918 7.818 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -12.458 -6.287 7.711 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -13.755 -6.336 5.361 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -14.696 -7.563 6.185 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -14.209 -5.225 7.894 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -15.016 -4.786 6.402 1.00 0.00 H new ATOM 0 HE ARG A 94 -16.939 -5.917 7.097 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -14.190 -6.774 9.150 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -15.193 -7.621 10.332 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -18.211 -7.006 8.620 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -17.458 -7.752 10.034 1.00 0.00 H new ATOM 1473 N THR A 95 -10.871 -9.677 7.238 1.00 0.00 N ATOM 1474 CA THR A 95 -9.970 -10.517 8.015 1.00 0.00 C ATOM 1475 C THR A 95 -8.710 -10.812 7.210 1.00 0.00 C ATOM 1476 O THR A 95 -7.594 -10.718 7.720 1.00 0.00 O ATOM 1477 CB THR A 95 -10.678 -11.818 8.419 1.00 0.00 C ATOM 1478 OG1 THR A 95 -10.296 -12.210 9.725 1.00 0.00 O ATOM 1479 CG2 THR A 95 -10.406 -12.989 7.494 1.00 0.00 C ATOM 0 H THR A 95 -11.669 -10.172 6.839 1.00 0.00 H new ATOM 0 HA THR A 95 -9.682 -9.989 8.924 1.00 0.00 H new ATOM 0 HB THR A 95 -11.741 -11.583 8.361 1.00 0.00 H new ATOM 0 HG1 THR A 95 -10.758 -13.040 9.966 1.00 0.00 H new ATOM 0 HG21 THR A 95 -10.944 -13.867 7.851 1.00 0.00 H new ATOM 0 HG22 THR A 95 -10.742 -12.743 6.487 1.00 0.00 H new ATOM 0 HG23 THR A 95 -9.337 -13.200 7.478 1.00 0.00 H new ATOM 1487 N VAL A 96 -8.905 -11.159 5.943 1.00 0.00 N ATOM 1488 CA VAL A 96 -7.793 -11.460 5.052 1.00 0.00 C ATOM 1489 C VAL A 96 -6.840 -10.274 4.965 1.00 0.00 C ATOM 1490 O VAL A 96 -5.661 -10.388 5.298 1.00 0.00 O ATOM 1491 CB VAL A 96 -8.282 -11.816 3.634 1.00 0.00 C ATOM 1492 CG1 VAL A 96 -7.118 -12.256 2.760 1.00 0.00 C ATOM 1493 CG2 VAL A 96 -9.351 -12.897 3.693 1.00 0.00 C ATOM 0 H VAL A 96 -9.825 -11.239 5.510 1.00 0.00 H new ATOM 0 HA VAL A 96 -7.272 -12.322 5.469 1.00 0.00 H new ATOM 0 HB VAL A 96 -8.723 -10.924 3.189 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -7.484 -12.503 1.763 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -6.390 -11.448 2.689 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -6.644 -13.133 3.200 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -9.684 -13.135 2.683 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -8.938 -13.792 4.159 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -10.198 -12.540 4.279 1.00 0.00 H new ATOM 1503 N MET A 97 -7.361 -9.133 4.518 1.00 0.00 N ATOM 1504 CA MET A 97 -6.553 -7.919 4.390 1.00 0.00 C ATOM 1505 C MET A 97 -5.681 -7.683 5.622 1.00 0.00 C ATOM 1506 O MET A 97 -4.467 -7.509 5.513 1.00 0.00 O ATOM 1507 CB MET A 97 -7.454 -6.704 4.167 1.00 0.00 C ATOM 1508 CG MET A 97 -8.635 -6.631 5.121 1.00 0.00 C ATOM 1509 SD MET A 97 -8.392 -5.423 6.436 1.00 0.00 S ATOM 1510 CE MET A 97 -7.951 -3.978 5.477 1.00 0.00 C ATOM 0 H MET A 97 -8.336 -9.022 4.239 1.00 0.00 H new ATOM 0 HA MET A 97 -5.897 -8.057 3.530 1.00 0.00 H new ATOM 0 HB2 MET A 97 -6.858 -5.798 4.272 1.00 0.00 H new ATOM 0 HB3 MET A 97 -7.827 -6.723 3.143 1.00 0.00 H new ATOM 0 HG2 MET A 97 -9.534 -6.376 4.561 1.00 0.00 H new ATOM 0 HG3 MET A 97 -8.802 -7.614 5.562 1.00 0.00 H new ATOM 0 HE1 MET A 97 -8.112 -3.081 6.075 1.00 0.00 H new ATOM 0 HE2 MET A 97 -6.901 -4.039 5.190 1.00 0.00 H new ATOM 0 HE3 MET A 97 -8.570 -3.933 4.581 1.00 0.00 H new ATOM 1520 N ASP A 98 -6.310 -7.663 6.788 1.00 0.00 N ATOM 1521 CA ASP A 98 -5.601 -7.430 8.041 1.00 0.00 C ATOM 1522 C ASP A 98 -4.468 -8.434 8.252 1.00 0.00 C ATOM 1523 O ASP A 98 -3.538 -8.176 9.016 1.00 0.00 O ATOM 1524 CB ASP A 98 -6.575 -7.492 9.219 1.00 0.00 C ATOM 1525 CG ASP A 98 -7.272 -6.168 9.464 1.00 0.00 C ATOM 1526 OD1 ASP A 98 -6.582 -5.192 9.824 1.00 0.00 O ATOM 1527 OD2 ASP A 98 -8.508 -6.108 9.296 1.00 0.00 O ATOM 0 H ASP A 98 -7.314 -7.806 6.894 1.00 0.00 H new ATOM 0 HA ASP A 98 -5.158 -6.436 7.984 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -7.322 -8.263 9.029 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -6.035 -7.787 10.119 1.00 0.00 H new ATOM 1532 N ASN A 99 -4.550 -9.579 7.583 1.00 0.00 N ATOM 1533 CA ASN A 99 -3.526 -10.611 7.718 1.00 0.00 C ATOM 1534 C ASN A 99 -2.362 -10.368 6.761 1.00 0.00 C ATOM 1535 O ASN A 99 -1.203 -10.341 7.176 1.00 0.00 O ATOM 1536 CB ASN A 99 -4.129 -11.994 7.464 1.00 0.00 C ATOM 1537 CG ASN A 99 -4.593 -12.665 8.742 1.00 0.00 C ATOM 1538 OD1 ASN A 99 -3.902 -12.632 9.760 1.00 0.00 O ATOM 1539 ND2 ASN A 99 -5.770 -13.278 8.694 1.00 0.00 N ATOM 0 H ASN A 99 -5.310 -9.816 6.945 1.00 0.00 H new ATOM 0 HA ASN A 99 -3.143 -10.567 8.737 1.00 0.00 H new ATOM 0 HB2 ASN A 99 -4.972 -11.900 6.779 1.00 0.00 H new ATOM 0 HB3 ASN A 99 -3.389 -12.626 6.973 1.00 0.00 H new ATOM 0 HD21 ASN A 99 -6.135 -13.747 9.523 1.00 0.00 H new ATOM 0 HD22 ASN A 99 -6.309 -13.280 7.828 1.00 0.00 H new ATOM 1546 N ILE A 100 -2.674 -10.199 5.482 1.00 0.00 N ATOM 1547 CA ILE A 100 -1.649 -9.968 4.473 1.00 0.00 C ATOM 1548 C ILE A 100 -0.976 -8.609 4.659 1.00 0.00 C ATOM 1549 O ILE A 100 0.185 -8.430 4.291 1.00 0.00 O ATOM 1550 CB ILE A 100 -2.233 -10.053 3.048 1.00 0.00 C ATOM 1551 CG1 ILE A 100 -1.116 -9.958 2.001 1.00 0.00 C ATOM 1552 CG2 ILE A 100 -3.267 -8.960 2.836 1.00 0.00 C ATOM 1553 CD1 ILE A 100 -1.584 -9.474 0.644 1.00 0.00 C ATOM 0 H ILE A 100 -3.627 -10.218 5.120 1.00 0.00 H new ATOM 0 HA ILE A 100 -0.904 -10.753 4.600 1.00 0.00 H new ATOM 0 HB ILE A 100 -2.725 -11.018 2.930 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -0.343 -9.283 2.369 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -0.655 -10.939 1.886 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -3.671 -9.032 1.826 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -4.074 -9.078 3.559 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -2.799 -7.985 2.971 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -0.736 -9.434 -0.040 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -2.335 -10.160 0.252 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -2.018 -8.479 0.742 1.00 0.00 H new ATOM 1565 N LYS A 101 -1.703 -7.654 5.233 1.00 0.00 N ATOM 1566 CA LYS A 101 -1.159 -6.323 5.458 1.00 0.00 C ATOM 1567 C LYS A 101 -0.003 -6.377 6.445 1.00 0.00 C ATOM 1568 O LYS A 101 1.021 -5.718 6.265 1.00 0.00 O ATOM 1569 CB LYS A 101 -2.249 -5.400 5.988 1.00 0.00 C ATOM 1570 CG LYS A 101 -2.855 -5.875 7.289 1.00 0.00 C ATOM 1571 CD LYS A 101 -2.215 -5.198 8.488 1.00 0.00 C ATOM 1572 CE LYS A 101 -3.256 -4.859 9.538 1.00 0.00 C ATOM 1573 NZ LYS A 101 -2.747 -5.078 10.920 1.00 0.00 N ATOM 0 H LYS A 101 -2.665 -7.778 5.548 1.00 0.00 H new ATOM 0 HA LYS A 101 -0.788 -5.935 4.509 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -1.833 -4.403 6.132 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -3.036 -5.312 5.239 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -3.926 -5.673 7.286 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -2.734 -6.955 7.374 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -1.458 -5.853 8.919 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -1.706 -4.289 8.168 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -3.560 -3.818 9.424 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -4.144 -5.470 9.378 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -3.436 -4.709 11.606 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -2.609 -6.096 11.082 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -1.840 -4.582 11.039 1.00 0.00 H new ATOM 1587 N MET A 102 -0.179 -7.175 7.489 1.00 0.00 N ATOM 1588 CA MET A 102 0.842 -7.333 8.518 1.00 0.00 C ATOM 1589 C MET A 102 2.150 -7.816 7.902 1.00 0.00 C ATOM 1590 O MET A 102 3.233 -7.389 8.303 1.00 0.00 O ATOM 1591 CB MET A 102 0.371 -8.319 9.589 1.00 0.00 C ATOM 1592 CG MET A 102 -0.254 -7.647 10.801 1.00 0.00 C ATOM 1593 SD MET A 102 -1.655 -8.571 11.462 1.00 0.00 S ATOM 1594 CE MET A 102 -0.983 -10.231 11.489 1.00 0.00 C ATOM 0 H MET A 102 -1.023 -7.726 7.647 1.00 0.00 H new ATOM 0 HA MET A 102 1.013 -6.363 8.984 1.00 0.00 H new ATOM 0 HB2 MET A 102 -0.355 -9.002 9.148 1.00 0.00 H new ATOM 0 HB3 MET A 102 1.219 -8.921 9.915 1.00 0.00 H new ATOM 0 HG2 MET A 102 0.501 -7.534 11.579 1.00 0.00 H new ATOM 0 HG3 MET A 102 -0.582 -6.644 10.527 1.00 0.00 H new ATOM 0 HE1 MET A 102 -1.466 -10.806 12.278 1.00 0.00 H new ATOM 0 HE2 MET A 102 -1.163 -10.712 10.527 1.00 0.00 H new ATOM 0 HE3 MET A 102 0.090 -10.186 11.678 1.00 0.00 H new ATOM 1604 N THR A 103 2.037 -8.705 6.921 1.00 0.00 N ATOM 1605 CA THR A 103 3.207 -9.247 6.239 1.00 0.00 C ATOM 1606 C THR A 103 4.091 -8.125 5.700 1.00 0.00 C ATOM 1607 O THR A 103 5.309 -8.140 5.878 1.00 0.00 O ATOM 1608 CB THR A 103 2.772 -10.164 5.094 1.00 0.00 C ATOM 1609 OG1 THR A 103 2.033 -11.267 5.589 1.00 0.00 O ATOM 1610 CG2 THR A 103 3.931 -10.713 4.291 1.00 0.00 C ATOM 0 H THR A 103 1.146 -9.066 6.580 1.00 0.00 H new ATOM 0 HA THR A 103 3.785 -9.824 6.961 1.00 0.00 H new ATOM 0 HB THR A 103 2.163 -9.539 4.441 1.00 0.00 H new ATOM 0 HG1 THR A 103 1.762 -11.841 4.842 1.00 0.00 H new ATOM 0 HG21 THR A 103 3.551 -11.355 3.496 1.00 0.00 H new ATOM 0 HG22 THR A 103 4.494 -9.888 3.854 1.00 0.00 H new ATOM 0 HG23 THR A 103 4.584 -11.292 4.944 1.00 0.00 H new ATOM 1618 N LEU A 104 3.468 -7.153 5.043 1.00 0.00 N ATOM 1619 CA LEU A 104 4.196 -6.022 4.481 1.00 0.00 C ATOM 1620 C LEU A 104 4.586 -5.034 5.575 1.00 0.00 C ATOM 1621 O LEU A 104 5.652 -4.421 5.520 1.00 0.00 O ATOM 1622 CB LEU A 104 3.349 -5.318 3.421 1.00 0.00 C ATOM 1623 CG LEU A 104 2.958 -6.183 2.221 1.00 0.00 C ATOM 1624 CD1 LEU A 104 1.753 -7.047 2.558 1.00 0.00 C ATOM 1625 CD2 LEU A 104 2.669 -5.311 1.008 1.00 0.00 C ATOM 0 H LEU A 104 2.460 -7.126 4.887 1.00 0.00 H new ATOM 0 HA LEU A 104 5.105 -6.401 4.014 1.00 0.00 H new ATOM 0 HB2 LEU A 104 2.439 -4.947 3.893 1.00 0.00 H new ATOM 0 HB3 LEU A 104 3.898 -4.449 3.059 1.00 0.00 H new ATOM 0 HG LEU A 104 3.795 -6.839 1.981 1.00 0.00 H new ATOM 0 HD11 LEU A 104 1.489 -7.656 1.693 1.00 0.00 H new ATOM 0 HD12 LEU A 104 1.995 -7.697 3.399 1.00 0.00 H new ATOM 0 HD13 LEU A 104 0.910 -6.409 2.824 1.00 0.00 H new ATOM 0 HD21 LEU A 104 2.393 -5.942 0.164 1.00 0.00 H new ATOM 0 HD22 LEU A 104 1.849 -4.631 1.236 1.00 0.00 H new ATOM 0 HD23 LEU A 104 3.559 -4.735 0.754 1.00 0.00 H new ATOM 1637 N GLN A 105 3.714 -4.885 6.568 1.00 0.00 N ATOM 1638 CA GLN A 105 3.966 -3.971 7.678 1.00 0.00 C ATOM 1639 C GLN A 105 5.282 -4.310 8.370 1.00 0.00 C ATOM 1640 O GLN A 105 6.110 -3.432 8.614 1.00 0.00 O ATOM 1641 CB GLN A 105 2.816 -4.030 8.685 1.00 0.00 C ATOM 1642 CG GLN A 105 2.654 -2.755 9.497 1.00 0.00 C ATOM 1643 CD GLN A 105 1.830 -1.707 8.776 1.00 0.00 C ATOM 1644 OE1 GLN A 105 2.096 -1.378 7.620 1.00 0.00 O ATOM 1645 NE2 GLN A 105 0.822 -1.174 9.458 1.00 0.00 N ATOM 0 H GLN A 105 2.827 -5.385 6.627 1.00 0.00 H new ATOM 0 HA GLN A 105 4.036 -2.960 7.277 1.00 0.00 H new ATOM 0 HB2 GLN A 105 1.887 -4.232 8.152 1.00 0.00 H new ATOM 0 HB3 GLN A 105 2.982 -4.866 9.365 1.00 0.00 H new ATOM 0 HG2 GLN A 105 2.180 -2.993 10.449 1.00 0.00 H new ATOM 0 HG3 GLN A 105 3.638 -2.345 9.724 1.00 0.00 H new ATOM 0 HE21 GLN A 105 0.637 -1.476 10.414 1.00 0.00 H new ATOM 0 HE22 GLN A 105 0.233 -0.463 9.025 1.00 0.00 H new ATOM 1654 N GLN A 106 5.469 -5.588 8.679 1.00 0.00 N ATOM 1655 CA GLN A 106 6.688 -6.041 9.338 1.00 0.00 C ATOM 1656 C GLN A 106 7.906 -5.751 8.469 1.00 0.00 C ATOM 1657 O GLN A 106 8.966 -5.378 8.973 1.00 0.00 O ATOM 1658 CB GLN A 106 6.605 -7.538 9.643 1.00 0.00 C ATOM 1659 CG GLN A 106 6.321 -8.394 8.420 1.00 0.00 C ATOM 1660 CD GLN A 106 6.527 -9.873 8.684 1.00 0.00 C ATOM 1661 OE1 GLN A 106 6.442 -10.329 9.824 1.00 0.00 O ATOM 1662 NE2 GLN A 106 6.798 -10.630 7.628 1.00 0.00 N ATOM 0 H GLN A 106 4.794 -6.327 8.484 1.00 0.00 H new ATOM 0 HA GLN A 106 6.792 -5.496 10.276 1.00 0.00 H new ATOM 0 HB2 GLN A 106 7.544 -7.861 10.092 1.00 0.00 H new ATOM 0 HB3 GLN A 106 5.823 -7.706 10.383 1.00 0.00 H new ATOM 0 HG2 GLN A 106 5.295 -8.226 8.094 1.00 0.00 H new ATOM 0 HG3 GLN A 106 6.970 -8.080 7.603 1.00 0.00 H new ATOM 0 HE21 GLN A 106 6.859 -10.209 6.701 1.00 0.00 H new ATOM 0 HE22 GLN A 106 6.945 -11.633 7.744 1.00 0.00 H new ATOM 1671 N ILE A 107 7.747 -5.926 7.160 1.00 0.00 N ATOM 1672 CA ILE A 107 8.825 -5.686 6.219 1.00 0.00 C ATOM 1673 C ILE A 107 9.383 -4.274 6.364 1.00 0.00 C ATOM 1674 O ILE A 107 10.590 -4.090 6.490 1.00 0.00 O ATOM 1675 CB ILE A 107 8.346 -5.933 4.771 1.00 0.00 C ATOM 1676 CG1 ILE A 107 8.923 -7.248 4.265 1.00 0.00 C ATOM 1677 CG2 ILE A 107 8.725 -4.787 3.844 1.00 0.00 C ATOM 1678 CD1 ILE A 107 8.217 -7.793 3.042 1.00 0.00 C ATOM 0 H ILE A 107 6.875 -6.235 6.730 1.00 0.00 H new ATOM 0 HA ILE A 107 9.628 -6.388 6.445 1.00 0.00 H new ATOM 0 HB ILE A 107 7.258 -5.990 4.776 1.00 0.00 H new ATOM 0 HG12 ILE A 107 9.978 -7.105 4.031 1.00 0.00 H new ATOM 0 HG13 ILE A 107 8.871 -7.988 5.063 1.00 0.00 H new ATOM 0 HG21 ILE A 107 8.369 -5.001 2.836 1.00 0.00 H new ATOM 0 HG22 ILE A 107 8.269 -3.864 4.201 1.00 0.00 H new ATOM 0 HG23 ILE A 107 9.809 -4.674 3.830 1.00 0.00 H new ATOM 0 HD11 ILE A 107 8.684 -8.731 2.740 1.00 0.00 H new ATOM 0 HD12 ILE A 107 7.167 -7.969 3.276 1.00 0.00 H new ATOM 0 HD13 ILE A 107 8.291 -7.072 2.228 1.00 0.00 H new ATOM 1690 N ILE A 108 8.503 -3.280 6.352 1.00 0.00 N ATOM 1691 CA ILE A 108 8.930 -1.894 6.490 1.00 0.00 C ATOM 1692 C ILE A 108 9.827 -1.725 7.698 1.00 0.00 C ATOM 1693 O ILE A 108 10.719 -0.880 7.715 1.00 0.00 O ATOM 1694 CB ILE A 108 7.733 -0.948 6.638 1.00 0.00 C ATOM 1695 CG1 ILE A 108 6.664 -1.300 5.610 1.00 0.00 C ATOM 1696 CG2 ILE A 108 8.191 0.495 6.496 1.00 0.00 C ATOM 1697 CD1 ILE A 108 5.462 -0.392 5.645 1.00 0.00 C ATOM 0 H ILE A 108 7.496 -3.407 6.249 1.00 0.00 H new ATOM 0 HA ILE A 108 9.477 -1.641 5.582 1.00 0.00 H new ATOM 0 HB ILE A 108 7.296 -1.064 7.630 1.00 0.00 H new ATOM 0 HG12 ILE A 108 7.106 -1.264 4.614 1.00 0.00 H new ATOM 0 HG13 ILE A 108 6.337 -2.326 5.777 1.00 0.00 H new ATOM 0 HG21 ILE A 108 7.335 1.161 6.602 1.00 0.00 H new ATOM 0 HG22 ILE A 108 8.925 0.722 7.269 1.00 0.00 H new ATOM 0 HG23 ILE A 108 8.642 0.639 5.514 1.00 0.00 H new ATOM 0 HD11 ILE A 108 4.746 -0.706 4.885 1.00 0.00 H new ATOM 0 HD12 ILE A 108 4.994 -0.445 6.628 1.00 0.00 H new ATOM 0 HD13 ILE A 108 5.775 0.633 5.447 1.00 0.00 H new ATOM 1709 N SER A 109 9.572 -2.542 8.705 1.00 0.00 N ATOM 1710 CA SER A 109 10.337 -2.510 9.936 1.00 0.00 C ATOM 1711 C SER A 109 11.741 -3.066 9.716 1.00 0.00 C ATOM 1712 O SER A 109 12.672 -2.734 10.448 1.00 0.00 O ATOM 1713 CB SER A 109 9.604 -3.306 11.011 1.00 0.00 C ATOM 1714 OG SER A 109 9.754 -2.708 12.287 1.00 0.00 O ATOM 0 H SER A 109 8.831 -3.243 8.691 1.00 0.00 H new ATOM 0 HA SER A 109 10.437 -1.476 10.265 1.00 0.00 H new ATOM 0 HB2 SER A 109 8.545 -3.371 10.760 1.00 0.00 H new ATOM 0 HB3 SER A 109 9.989 -4.326 11.037 1.00 0.00 H new ATOM 0 HG SER A 109 9.272 -3.239 12.956 1.00 0.00 H new ATOM 1720 N ARG A 110 11.890 -3.898 8.689 1.00 0.00 N ATOM 1721 CA ARG A 110 13.186 -4.472 8.359 1.00 0.00 C ATOM 1722 C ARG A 110 13.825 -3.655 7.241 1.00 0.00 C ATOM 1723 O ARG A 110 15.023 -3.374 7.264 1.00 0.00 O ATOM 1724 CB ARG A 110 13.041 -5.951 7.965 1.00 0.00 C ATOM 1725 CG ARG A 110 12.886 -6.203 6.470 1.00 0.00 C ATOM 1726 CD ARG A 110 14.232 -6.211 5.763 1.00 0.00 C ATOM 1727 NE ARG A 110 14.264 -7.164 4.657 1.00 0.00 N ATOM 1728 CZ ARG A 110 14.163 -8.482 4.811 1.00 0.00 C ATOM 1729 NH1 ARG A 110 14.023 -9.007 6.022 1.00 0.00 N ATOM 1730 NH2 ARG A 110 14.201 -9.278 3.751 1.00 0.00 N ATOM 0 H ARG A 110 11.130 -4.188 8.074 1.00 0.00 H new ATOM 0 HA ARG A 110 13.835 -4.435 9.234 1.00 0.00 H new ATOM 0 HB2 ARG A 110 13.916 -6.495 8.322 1.00 0.00 H new ATOM 0 HB3 ARG A 110 12.175 -6.366 8.481 1.00 0.00 H new ATOM 0 HG2 ARG A 110 12.385 -7.158 6.311 1.00 0.00 H new ATOM 0 HG3 ARG A 110 12.250 -5.433 6.034 1.00 0.00 H new ATOM 0 HD2 ARG A 110 14.450 -5.211 5.387 1.00 0.00 H new ATOM 0 HD3 ARG A 110 15.016 -6.460 6.479 1.00 0.00 H new ATOM 0 HE ARG A 110 14.370 -6.798 3.711 1.00 0.00 H new ATOM 0 HH11 ARG A 110 13.992 -8.400 6.841 1.00 0.00 H new ATOM 0 HH12 ARG A 110 13.946 -10.018 6.134 1.00 0.00 H new ATOM 0 HH21 ARG A 110 14.308 -8.880 2.818 1.00 0.00 H new ATOM 0 HH22 ARG A 110 14.124 -10.288 3.869 1.00 0.00 H new ATOM 1744 N TYR A 111 13.002 -3.258 6.273 1.00 0.00 N ATOM 1745 CA TYR A 111 13.464 -2.450 5.155 1.00 0.00 C ATOM 1746 C TYR A 111 13.930 -1.081 5.645 1.00 0.00 C ATOM 1747 O TYR A 111 14.820 -0.469 5.057 1.00 0.00 O ATOM 1748 CB TYR A 111 12.342 -2.282 4.129 1.00 0.00 C ATOM 1749 CG TYR A 111 12.679 -2.832 2.764 1.00 0.00 C ATOM 1750 CD1 TYR A 111 13.406 -2.079 1.852 1.00 0.00 C ATOM 1751 CD2 TYR A 111 12.267 -4.104 2.387 1.00 0.00 C ATOM 1752 CE1 TYR A 111 13.714 -2.577 0.601 1.00 0.00 C ATOM 1753 CE2 TYR A 111 12.571 -4.609 1.137 1.00 0.00 C ATOM 1754 CZ TYR A 111 13.295 -3.841 0.249 1.00 0.00 C ATOM 1755 OH TYR A 111 13.599 -4.340 -0.995 1.00 0.00 O ATOM 0 H TYR A 111 12.008 -3.486 6.244 1.00 0.00 H new ATOM 0 HA TYR A 111 14.305 -2.958 4.683 1.00 0.00 H new ATOM 0 HB2 TYR A 111 11.446 -2.779 4.500 1.00 0.00 H new ATOM 0 HB3 TYR A 111 12.103 -1.223 4.035 1.00 0.00 H new ATOM 0 HD1 TYR A 111 13.736 -1.088 2.125 1.00 0.00 H new ATOM 0 HD2 TYR A 111 11.701 -4.707 3.081 1.00 0.00 H new ATOM 0 HE1 TYR A 111 14.280 -1.979 -0.097 1.00 0.00 H new ATOM 0 HE2 TYR A 111 12.244 -5.599 0.857 1.00 0.00 H new ATOM 0 HH TYR A 111 14.561 -4.522 -1.049 1.00 0.00 H new ATOM 1765 N LYS A 112 13.318 -0.608 6.727 1.00 0.00 N ATOM 1766 CA LYS A 112 13.656 0.680 7.304 1.00 0.00 C ATOM 1767 C LYS A 112 15.114 0.723 7.742 1.00 0.00 C ATOM 1768 O LYS A 112 15.895 1.553 7.279 1.00 0.00 O ATOM 1769 CB LYS A 112 12.745 0.954 8.499 1.00 0.00 C ATOM 1770 CG LYS A 112 12.606 -0.203 9.468 1.00 0.00 C ATOM 1771 CD LYS A 112 13.328 0.073 10.779 1.00 0.00 C ATOM 1772 CE LYS A 112 12.574 1.083 11.628 1.00 0.00 C ATOM 1773 NZ LYS A 112 11.528 0.434 12.466 1.00 0.00 N ATOM 0 H LYS A 112 12.579 -1.107 7.223 1.00 0.00 H new ATOM 0 HA LYS A 112 13.511 1.448 6.544 1.00 0.00 H new ATOM 0 HB2 LYS A 112 13.128 1.819 9.040 1.00 0.00 H new ATOM 0 HB3 LYS A 112 11.755 1.222 8.130 1.00 0.00 H new ATOM 0 HG2 LYS A 112 11.550 -0.388 9.666 1.00 0.00 H new ATOM 0 HG3 LYS A 112 13.009 -1.109 9.014 1.00 0.00 H new ATOM 0 HD2 LYS A 112 13.443 -0.857 11.335 1.00 0.00 H new ATOM 0 HD3 LYS A 112 14.331 0.447 10.572 1.00 0.00 H new ATOM 0 HE2 LYS A 112 13.277 1.613 12.271 1.00 0.00 H new ATOM 0 HE3 LYS A 112 12.110 1.827 10.981 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 11.037 1.157 13.030 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 10.843 -0.051 11.852 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 11.973 -0.258 13.102 1.00 0.00 H new ATOM 1969 N ASP B 70 -12.576 4.253 4.088 1.00 0.00 N ATOM 1970 CA ASP B 70 -11.942 5.455 4.613 1.00 0.00 C ATOM 1971 C ASP B 70 -11.520 5.290 6.075 1.00 0.00 C ATOM 1972 O ASP B 70 -11.829 6.131 6.920 1.00 0.00 O ATOM 1973 CB ASP B 70 -12.897 6.635 4.464 1.00 0.00 C ATOM 1974 CG ASP B 70 -12.223 7.974 4.690 1.00 0.00 C ATOM 1975 OD1 ASP B 70 -11.963 8.320 5.861 1.00 0.00 O ATOM 1976 OD2 ASP B 70 -11.959 8.680 3.694 1.00 0.00 O ATOM 0 HA ASP B 70 -11.034 5.639 4.039 1.00 0.00 H new ATOM 0 HB2 ASP B 70 -13.334 6.618 3.465 1.00 0.00 H new ATOM 0 HB3 ASP B 70 -13.718 6.523 5.173 1.00 0.00 H new ATOM 1981 N ALA B 71 -10.795 4.213 6.363 1.00 0.00 N ATOM 1982 CA ALA B 71 -10.309 3.953 7.717 1.00 0.00 C ATOM 1983 C ALA B 71 -8.788 3.787 7.725 1.00 0.00 C ATOM 1984 O ALA B 71 -8.181 3.689 8.788 1.00 0.00 O ATOM 1985 CB ALA B 71 -10.989 2.720 8.314 1.00 0.00 C ATOM 0 H ALA B 71 -10.530 3.505 5.678 1.00 0.00 H new ATOM 0 HA ALA B 71 -10.562 4.813 8.337 1.00 0.00 H new ATOM 0 HB1 ALA B 71 -10.610 2.548 9.322 1.00 0.00 H new ATOM 0 HB2 ALA B 71 -12.066 2.882 8.354 1.00 0.00 H new ATOM 0 HB3 ALA B 71 -10.776 1.850 7.693 1.00 0.00 H new ATOM 1991 N THR B 72 -8.175 3.770 6.535 1.00 0.00 N ATOM 1992 CA THR B 72 -6.723 3.628 6.424 1.00 0.00 C ATOM 1993 C THR B 72 -6.028 4.974 6.575 1.00 0.00 C ATOM 1994 O THR B 72 -4.801 5.045 6.631 1.00 0.00 O ATOM 1995 CB THR B 72 -6.332 2.993 5.087 1.00 0.00 C ATOM 1996 OG1 THR B 72 -7.478 2.717 4.304 1.00 0.00 O ATOM 1997 CG2 THR B 72 -5.555 1.701 5.250 1.00 0.00 C ATOM 0 H THR B 72 -8.661 3.852 5.642 1.00 0.00 H new ATOM 0 HA THR B 72 -6.398 2.972 7.232 1.00 0.00 H new ATOM 0 HB THR B 72 -5.693 3.724 4.593 1.00 0.00 H new ATOM 0 HG1 THR B 72 -7.790 3.543 3.879 1.00 0.00 H new ATOM 0 HG21 THR B 72 -5.307 1.299 4.268 1.00 0.00 H new ATOM 0 HG22 THR B 72 -4.637 1.896 5.805 1.00 0.00 H new ATOM 0 HG23 THR B 72 -6.162 0.978 5.795 1.00 0.00 H new ATOM 2005 N TRP B 73 -6.816 6.042 6.648 1.00 0.00 N ATOM 2006 CA TRP B 73 -6.273 7.383 6.801 1.00 0.00 C ATOM 2007 C TRP B 73 -5.989 7.666 8.273 1.00 0.00 C ATOM 2008 O TRP B 73 -6.204 8.775 8.763 1.00 0.00 O ATOM 2009 CB TRP B 73 -7.252 8.417 6.236 1.00 0.00 C ATOM 2010 CG TRP B 73 -8.002 7.936 5.026 1.00 0.00 C ATOM 2011 CD1 TRP B 73 -9.250 8.313 4.636 1.00 0.00 C ATOM 2012 CD2 TRP B 73 -7.551 6.987 4.055 1.00 0.00 C ATOM 2013 NE1 TRP B 73 -9.605 7.657 3.481 1.00 0.00 N ATOM 2014 CE2 TRP B 73 -8.577 6.837 3.105 1.00 0.00 C ATOM 2015 CE3 TRP B 73 -6.379 6.253 3.897 1.00 0.00 C ATOM 2016 CZ2 TRP B 73 -8.461 5.978 2.014 1.00 0.00 C ATOM 2017 CZ3 TRP B 73 -6.262 5.403 2.816 1.00 0.00 C ATOM 2018 CH2 TRP B 73 -7.297 5.274 1.889 1.00 0.00 C ATOM 0 H TRP B 73 -7.834 6.002 6.603 1.00 0.00 H new ATOM 0 HA TRP B 73 -5.338 7.452 6.245 1.00 0.00 H new ATOM 0 HB2 TRP B 73 -7.967 8.690 7.012 1.00 0.00 H new ATOM 0 HB3 TRP B 73 -6.702 9.322 5.977 1.00 0.00 H new ATOM 0 HD1 TRP B 73 -9.872 9.025 5.158 1.00 0.00 H new ATOM 0 HE1 TRP B 73 -10.490 7.764 2.986 1.00 0.00 H new ATOM 0 HE3 TRP B 73 -5.573 6.347 4.610 1.00 0.00 H new ATOM 0 HZ2 TRP B 73 -9.260 5.873 1.295 1.00 0.00 H new ATOM 0 HZ3 TRP B 73 -5.356 4.829 2.686 1.00 0.00 H new ATOM 0 HH2 TRP B 73 -7.175 4.602 1.053 1.00 0.00 H new ATOM 2029 N ASP B 74 -5.513 6.638 8.971 1.00 0.00 N ATOM 2030 CA ASP B 74 -5.200 6.729 10.389 1.00 0.00 C ATOM 2031 C ASP B 74 -4.709 5.376 10.895 1.00 0.00 C ATOM 2032 O ASP B 74 -5.050 4.951 11.999 1.00 0.00 O ATOM 2033 CB ASP B 74 -6.442 7.161 11.173 1.00 0.00 C ATOM 2034 CG ASP B 74 -6.102 8.026 12.370 1.00 0.00 C ATOM 2035 OD1 ASP B 74 -5.770 7.463 13.435 1.00 0.00 O ATOM 2036 OD2 ASP B 74 -6.167 9.267 12.244 1.00 0.00 O ATOM 0 H ASP B 74 -5.334 5.719 8.566 1.00 0.00 H new ATOM 0 HA ASP B 74 -4.416 7.472 10.535 1.00 0.00 H new ATOM 0 HB2 ASP B 74 -7.113 7.709 10.511 1.00 0.00 H new ATOM 0 HB3 ASP B 74 -6.981 6.276 11.510 1.00 0.00 H new ATOM 2041 N LEU B 75 -3.923 4.695 10.064 1.00 0.00 N ATOM 2042 CA LEU B 75 -3.399 3.377 10.404 1.00 0.00 C ATOM 2043 C LEU B 75 -1.910 3.430 10.745 1.00 0.00 C ATOM 2044 O LEU B 75 -1.532 3.577 11.908 1.00 0.00 O ATOM 2045 CB LEU B 75 -3.634 2.410 9.240 1.00 0.00 C ATOM 2046 CG LEU B 75 -4.806 1.446 9.404 1.00 0.00 C ATOM 2047 CD1 LEU B 75 -4.649 0.621 10.673 1.00 0.00 C ATOM 2048 CD2 LEU B 75 -6.132 2.193 9.395 1.00 0.00 C ATOM 0 H LEU B 75 -3.635 5.037 9.147 1.00 0.00 H new ATOM 0 HA LEU B 75 -3.929 3.024 11.289 1.00 0.00 H new ATOM 0 HB2 LEU B 75 -3.792 2.994 8.333 1.00 0.00 H new ATOM 0 HB3 LEU B 75 -2.726 1.826 9.088 1.00 0.00 H new ATOM 0 HG LEU B 75 -4.806 0.762 8.555 1.00 0.00 H new ATOM 0 HD11 LEU B 75 -5.495 -0.060 10.771 1.00 0.00 H new ATOM 0 HD12 LEU B 75 -3.724 0.046 10.621 1.00 0.00 H new ATOM 0 HD13 LEU B 75 -4.615 1.285 11.537 1.00 0.00 H new ATOM 0 HD21 LEU B 75 -6.950 1.483 9.513 1.00 0.00 H new ATOM 0 HD22 LEU B 75 -6.152 2.909 10.216 1.00 0.00 H new ATOM 0 HD23 LEU B 75 -6.245 2.722 8.449 1.00 0.00 H new