USER MOD reduce.3.24.130724 H: found=0, std=0, add=1079, rem=0, adj=36 USER MOD reduce.3.24.130724 removed 1087 hydrogens (9 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 NoAdj-H: B 512 PTR HN2 : B 512 PTR N : B 511 GLN C :(H bumps) USER MOD NoAdj-H: B 512 PTR H : B 512 PTR N : B 511 GLN C :(H bumps) USER MOD Set 1.1: A 70 ASN : amide:sc= -1.34 K(o=-2.1,f=-4.5!) USER MOD Set 1.2: B 501 MET CE :methyl 165:sc= -0.671 (180deg=-0.935) USER MOD Set 1.3: B 502 THR OG1 : rot 27:sc= -0.12 USER MOD Set 2.1: A 107 ASN : amide:sc= -4.2! C(o=-8!,f=-13!) USER MOD Set 2.2: A 108 ASN :FLIP amide:sc= -3.78! C(o=-9.6!,f=-8!) USER MOD Set 3.1: A 54 SER OG : rot -59:sc= 0.516 USER MOD Set 3.2: A 56 LYS NZ :NH3+ -111:sc= -0.116 (180deg=-2.08!) USER MOD Single : A 8 SER OG : rot 25:sc= 0.176 USER MOD Single : A 9 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 10 MET CE :methyl 164:sc= -0.128 (180deg=-0.669) USER MOD Single : A 12 THR OG1 : rot 150:sc= -1.85! USER MOD Single : A 16 ASN : amide:sc= -0.0344 X(o=-0.034,f=0.18) USER MOD Single : A 17 HIS : no HD1:sc= -4.53! C(o=-4.5!,f=-5.4!) USER MOD Single : A 19 ASN : amide:sc= -0.146 K(o=-0.15,f=-3.1!) USER MOD Single : A 20 LYS NZ :NH3+ 156:sc= -0.0719 (180deg=-0.399) USER MOD Single : A 22 LYS NZ :NH3+ -162:sc= -0.089 (180deg=-0.459) USER MOD Single : A 25 ASN : amide:sc= -0.704 K(o=-0.7,f=-2.9!) USER MOD Single : A 31 ASN : amide:sc=-0.00969 K(o=-0.0097,f=-2.8!) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 38 MET CE :methyl 161:sc= -11! (180deg=-14!) USER MOD Single : A 41 THR OG1 : rot -76:sc= 1.39 USER MOD Single : A 43 THR OG1 : rot 89:sc= 1.08 USER MOD Single : A 48 TYR OH : rot 44:sc= 1.2 USER MOD Single : A 49 THR OG1 : rot -77:sc= -4.26! USER MOD Single : A 51 LYS NZ :NH3+ 146:sc= 0.869 (180deg=-0.731) USER MOD Single : A 58 HIS : no HD1:sc= -6.5! C(o=-6.5!,f=-12!) USER MOD Single : A 59 TYR OH : rot 76:sc= -1.88! USER MOD Single : A 61 CYS SG : rot 170:sc= -1 USER MOD Single : A 65 TYR OH : rot -82:sc= 0.424 USER MOD Single : A 67 TYR OH : rot 54:sc= 1.09 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot 60:sc= -3.28! USER MOD Single : A 76 SER OG : rot 131:sc= 0.404 USER MOD Single : A 80 CYS SG : rot -169:sc= 0.534 USER MOD Single : A 81 GLN : amide:sc= -0.5 K(o=-0.5,f=-4.3!) USER MOD Single : A 82 THR OG1 : rot -45:sc= 1.11 USER MOD Single : A 84 GLN :FLIP amide:sc=-0.00144 F(o=-0.94,f=-0.0014) USER MOD Single : A 90 LYS NZ :NH3+ 142:sc= -0.938 (180deg=-2.18!) USER MOD Single : A 91 CYS SG : rot -168:sc= -15.5! USER MOD Single : A 99 ASN : amide:sc= -0.0187 K(o=-0.019,f=-2.3!) USER MOD Single : A 100 MET CE :methyl 178:sc= -6.09! (180deg=-6.34!) USER MOD Single : A 102 GLN : amide:sc= -7.57! C(o=-7.6!,f=-12!) USER MOD Single : A 105 MET CE :methyl -125:sc= -5.64! (180deg=-10.1!) USER MOD Single : A 106 GLN :FLIP amide:sc= -0.386 F(o=-1.1,f=-0.39) USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD Single : A 111 ASN : amide:sc= -0.0552 X(o=-0.055,f=-0.046) USER MOD Single : A 121 ASN :FLIP amide:sc= -0.187 F(o=-1!,f=-0.19) USER MOD Single : A 122 ASN : amide:sc= 0.476 K(o=0.48,f=-5.6!) USER MOD Single : B 503 LYS NZ :NH3+ -123:sc= 0 (180deg=-0.0488) USER MOD Single : B 509 ASN : amide:sc= -2.5 K(o=-2.5,f=-11!) USER MOD Single : B 511 GLN :FLIP amide:sc= -1.99 F(o=-3.1!,f=-2) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 8 6.545 22.790 8.494 1.00 0.00 N ATOM 2 CA SER A 8 6.711 22.606 7.038 1.00 0.00 C ATOM 3 C SER A 8 5.768 21.522 6.508 1.00 0.00 C ATOM 4 O SER A 8 6.132 20.750 5.621 1.00 0.00 O ATOM 5 CB SER A 8 8.163 22.227 6.737 1.00 0.00 C ATOM 6 OG SER A 8 9.066 23.141 7.342 1.00 0.00 O ATOM 0 HA SER A 8 6.462 23.542 6.539 1.00 0.00 H new ATOM 0 HB2 SER A 8 8.362 21.219 7.102 1.00 0.00 H new ATOM 0 HB3 SER A 8 8.322 22.213 5.659 1.00 0.00 H new ATOM 0 HG SER A 8 8.639 23.557 8.120 1.00 0.00 H new ATOM 14 N HIS A 9 4.553 21.473 7.064 1.00 0.00 N ATOM 15 CA HIS A 9 3.517 20.525 6.635 1.00 0.00 C ATOM 16 C HIS A 9 3.979 19.083 6.792 1.00 0.00 C ATOM 17 O HIS A 9 3.749 18.247 5.918 1.00 0.00 O ATOM 18 CB HIS A 9 3.096 20.762 5.187 1.00 0.00 C ATOM 19 CG HIS A 9 2.638 22.153 4.897 1.00 0.00 C ATOM 20 ND1 HIS A 9 3.297 22.987 4.024 1.00 0.00 N ATOM 21 CD2 HIS A 9 1.572 22.851 5.349 1.00 0.00 C ATOM 22 CE1 HIS A 9 2.659 24.136 3.953 1.00 0.00 C ATOM 23 NE2 HIS A 9 1.606 24.082 4.746 1.00 0.00 N ATOM 0 H HIS A 9 4.259 22.088 7.823 1.00 0.00 H new ATOM 0 HA HIS A 9 2.658 20.697 7.283 1.00 0.00 H new ATOM 0 HB2 HIS A 9 3.936 20.526 4.534 1.00 0.00 H new ATOM 0 HB3 HIS A 9 2.293 20.069 4.937 1.00 0.00 H new ATOM 0 HD2 HIS A 9 0.831 22.504 6.054 1.00 0.00 H new ATOM 0 HE1 HIS A 9 2.949 24.982 3.347 1.00 0.00 H new ATOM 0 HE2 HIS A 9 0.929 24.832 4.887 1.00 0.00 H new ATOM 32 N MET A 10 4.639 18.799 7.901 1.00 0.00 N ATOM 33 CA MET A 10 5.072 17.443 8.192 1.00 0.00 C ATOM 34 C MET A 10 3.920 16.640 8.777 1.00 0.00 C ATOM 35 O MET A 10 3.315 15.814 8.098 1.00 0.00 O ATOM 36 CB MET A 10 6.252 17.449 9.164 1.00 0.00 C ATOM 37 CG MET A 10 7.512 18.078 8.598 1.00 0.00 C ATOM 38 SD MET A 10 8.794 18.293 9.848 1.00 0.00 S ATOM 39 CE MET A 10 8.934 16.625 10.481 1.00 0.00 C ATOM 0 H MET A 10 4.886 19.486 8.613 1.00 0.00 H new ATOM 0 HA MET A 10 5.394 16.978 7.260 1.00 0.00 H new ATOM 0 HB2 MET A 10 5.963 17.987 10.067 1.00 0.00 H new ATOM 0 HB3 MET A 10 6.471 16.423 9.460 1.00 0.00 H new ATOM 0 HG2 MET A 10 7.896 17.453 7.791 1.00 0.00 H new ATOM 0 HG3 MET A 10 7.267 19.047 8.162 1.00 0.00 H new ATOM 0 HE1 MET A 10 9.861 16.527 11.046 1.00 0.00 H new ATOM 0 HE2 MET A 10 8.087 16.411 11.133 1.00 0.00 H new ATOM 0 HE3 MET A 10 8.939 15.920 9.650 1.00 0.00 H new ATOM 49 N ASP A 11 3.592 16.915 10.030 1.00 0.00 N ATOM 50 CA ASP A 11 2.527 16.195 10.714 1.00 0.00 C ATOM 51 C ASP A 11 1.344 17.112 10.996 1.00 0.00 C ATOM 52 O ASP A 11 0.572 16.891 11.928 1.00 0.00 O ATOM 53 CB ASP A 11 3.037 15.552 12.015 1.00 0.00 C ATOM 54 CG ASP A 11 3.676 16.546 12.969 1.00 0.00 C ATOM 55 OD1 ASP A 11 2.939 17.277 13.661 1.00 0.00 O ATOM 56 OD2 ASP A 11 4.927 16.598 13.030 1.00 0.00 O ATOM 0 H ASP A 11 4.048 17.632 10.595 1.00 0.00 H new ATOM 0 HA ASP A 11 2.190 15.396 10.053 1.00 0.00 H new ATOM 0 HB2 ASP A 11 2.205 15.060 12.519 1.00 0.00 H new ATOM 0 HB3 ASP A 11 3.764 14.778 11.768 1.00 0.00 H new ATOM 61 N THR A 12 1.197 18.142 10.175 1.00 0.00 N ATOM 62 CA THR A 12 0.034 19.009 10.246 1.00 0.00 C ATOM 63 C THR A 12 -1.078 18.438 9.378 1.00 0.00 C ATOM 64 O THR A 12 -1.706 19.152 8.593 1.00 0.00 O ATOM 65 CB THR A 12 0.369 20.435 9.771 1.00 0.00 C ATOM 66 OG1 THR A 12 0.938 20.402 8.454 1.00 0.00 O ATOM 67 CG2 THR A 12 1.327 21.112 10.725 1.00 0.00 C ATOM 0 H THR A 12 1.870 18.396 9.452 1.00 0.00 H new ATOM 0 HA THR A 12 -0.288 19.061 11.286 1.00 0.00 H new ATOM 0 HB THR A 12 -0.558 21.007 9.746 1.00 0.00 H new ATOM 0 HG1 THR A 12 0.712 21.229 7.979 1.00 0.00 H new ATOM 0 HG21 THR A 12 1.547 22.118 10.367 1.00 0.00 H new ATOM 0 HG22 THR A 12 0.874 21.171 11.715 1.00 0.00 H new ATOM 0 HG23 THR A 12 2.251 20.537 10.782 1.00 0.00 H new ATOM 75 N VAL A 13 -1.315 17.143 9.521 1.00 0.00 N ATOM 76 CA VAL A 13 -2.191 16.431 8.613 1.00 0.00 C ATOM 77 C VAL A 13 -3.644 16.857 8.746 1.00 0.00 C ATOM 78 O VAL A 13 -4.181 17.042 9.839 1.00 0.00 O ATOM 79 CB VAL A 13 -2.019 14.897 8.736 1.00 0.00 C ATOM 80 CG1 VAL A 13 -3.221 14.120 8.212 1.00 0.00 C ATOM 81 CG2 VAL A 13 -0.783 14.508 7.959 1.00 0.00 C ATOM 0 H VAL A 13 -0.911 16.566 10.259 1.00 0.00 H new ATOM 0 HA VAL A 13 -1.886 16.709 7.604 1.00 0.00 H new ATOM 0 HB VAL A 13 -1.927 14.645 9.793 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -3.041 13.051 8.325 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -4.110 14.400 8.777 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -3.373 14.353 7.158 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -0.635 13.430 8.027 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -0.906 14.792 6.914 1.00 0.00 H new ATOM 0 HG23 VAL A 13 0.084 15.020 8.375 1.00 0.00 H new ATOM 91 N PRO A 14 -4.262 17.034 7.582 1.00 0.00 N ATOM 92 CA PRO A 14 -5.639 17.492 7.426 1.00 0.00 C ATOM 93 C PRO A 14 -6.633 16.342 7.533 1.00 0.00 C ATOM 94 O PRO A 14 -6.283 15.249 7.988 1.00 0.00 O ATOM 95 CB PRO A 14 -5.609 18.026 5.995 1.00 0.00 C ATOM 96 CG PRO A 14 -4.705 17.085 5.292 1.00 0.00 C ATOM 97 CD PRO A 14 -3.638 16.751 6.285 1.00 0.00 C ATOM 0 HA PRO A 14 -5.949 18.210 8.185 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -6.604 18.035 5.549 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -5.233 19.048 5.956 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -5.239 16.190 4.972 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -4.281 17.540 4.397 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -3.333 15.707 6.208 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -2.745 17.357 6.131 1.00 0.00 H new ATOM 105 N ASP A 15 -7.868 16.584 7.113 1.00 0.00 N ATOM 106 CA ASP A 15 -8.844 15.509 6.985 1.00 0.00 C ATOM 107 C ASP A 15 -8.310 14.498 5.986 1.00 0.00 C ATOM 108 O ASP A 15 -8.065 13.333 6.312 1.00 0.00 O ATOM 109 CB ASP A 15 -10.192 16.059 6.513 1.00 0.00 C ATOM 110 CG ASP A 15 -11.246 14.981 6.349 1.00 0.00 C ATOM 111 OD1 ASP A 15 -11.893 14.617 7.353 1.00 0.00 O ATOM 112 OD2 ASP A 15 -11.453 14.506 5.215 1.00 0.00 O ATOM 0 H ASP A 15 -8.216 17.508 6.857 1.00 0.00 H new ATOM 0 HA ASP A 15 -8.999 15.034 7.954 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -10.547 16.800 7.229 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -10.055 16.574 5.562 1.00 0.00 H new ATOM 117 N ASN A 16 -8.084 14.979 4.776 1.00 0.00 N ATOM 118 CA ASN A 16 -7.431 14.199 3.747 1.00 0.00 C ATOM 119 C ASN A 16 -6.542 15.109 2.917 1.00 0.00 C ATOM 120 O ASN A 16 -6.732 16.323 2.893 1.00 0.00 O ATOM 121 CB ASN A 16 -8.449 13.483 2.847 1.00 0.00 C ATOM 122 CG ASN A 16 -9.207 14.425 1.930 1.00 0.00 C ATOM 123 OD1 ASN A 16 -10.244 14.972 2.305 1.00 0.00 O ATOM 124 ND2 ASN A 16 -8.708 14.600 0.714 1.00 0.00 N ATOM 0 H ASN A 16 -8.348 15.919 4.483 1.00 0.00 H new ATOM 0 HA ASN A 16 -6.826 13.431 4.229 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -7.929 12.739 2.243 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -9.161 12.945 3.473 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -9.187 15.207 0.049 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -7.845 14.127 0.444 1.00 0.00 H new ATOM 131 N HIS A 17 -5.566 14.518 2.264 1.00 0.00 N ATOM 132 CA HIS A 17 -4.672 15.240 1.372 1.00 0.00 C ATOM 133 C HIS A 17 -4.281 14.290 0.262 1.00 0.00 C ATOM 134 O HIS A 17 -4.923 13.255 0.122 1.00 0.00 O ATOM 135 CB HIS A 17 -3.443 15.818 2.113 1.00 0.00 C ATOM 136 CG HIS A 17 -2.649 14.849 2.951 1.00 0.00 C ATOM 137 ND1 HIS A 17 -1.481 14.262 2.525 1.00 0.00 N ATOM 138 CD2 HIS A 17 -2.849 14.397 4.213 1.00 0.00 C ATOM 139 CE1 HIS A 17 -1.003 13.483 3.480 1.00 0.00 C ATOM 140 NE2 HIS A 17 -1.815 13.541 4.517 1.00 0.00 N ATOM 0 H HIS A 17 -5.365 13.520 2.334 1.00 0.00 H new ATOM 0 HA HIS A 17 -5.180 16.110 0.957 1.00 0.00 H new ATOM 0 HB2 HIS A 17 -2.774 16.258 1.373 1.00 0.00 H new ATOM 0 HB3 HIS A 17 -3.783 16.629 2.758 1.00 0.00 H new ATOM 0 HD2 HIS A 17 -3.671 14.661 4.862 1.00 0.00 H new ATOM 0 HE1 HIS A 17 -0.098 12.897 3.421 1.00 0.00 H new ATOM 0 HE2 HIS A 17 -1.697 13.037 5.396 1.00 0.00 H new ATOM 149 N ARG A 18 -3.269 14.617 -0.532 1.00 0.00 N ATOM 150 CA ARG A 18 -2.868 13.725 -1.616 1.00 0.00 C ATOM 151 C ARG A 18 -2.646 12.326 -1.095 1.00 0.00 C ATOM 152 O ARG A 18 -3.215 11.376 -1.589 1.00 0.00 O ATOM 153 CB ARG A 18 -1.586 14.178 -2.296 1.00 0.00 C ATOM 154 CG ARG A 18 -1.266 13.343 -3.522 1.00 0.00 C ATOM 155 CD ARG A 18 -2.304 13.509 -4.615 1.00 0.00 C ATOM 156 NE ARG A 18 -2.251 14.833 -5.232 1.00 0.00 N ATOM 157 CZ ARG A 18 -3.202 15.336 -6.020 1.00 0.00 C ATOM 158 NH1 ARG A 18 -4.331 14.665 -6.224 1.00 0.00 N ATOM 159 NH2 ARG A 18 -3.030 16.523 -6.588 1.00 0.00 N ATOM 0 H ARG A 18 -2.721 15.473 -0.451 1.00 0.00 H new ATOM 0 HA ARG A 18 -3.680 13.745 -2.343 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -1.679 15.225 -2.585 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -0.759 14.115 -1.589 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -0.287 13.627 -3.907 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -1.205 12.292 -3.238 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -2.149 12.748 -5.379 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -3.297 13.344 -4.198 1.00 0.00 H new ATOM 0 HE ARG A 18 -1.431 15.411 -5.047 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -4.474 13.760 -5.777 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -5.054 15.055 -6.828 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -2.172 17.049 -6.421 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -3.756 16.910 -7.191 1.00 0.00 H new ATOM 173 N ASN A 19 -1.829 12.217 -0.079 1.00 0.00 N ATOM 174 CA ASN A 19 -1.408 10.921 0.404 1.00 0.00 C ATOM 175 C ASN A 19 -2.430 10.292 1.351 1.00 0.00 C ATOM 176 O ASN A 19 -2.542 9.073 1.425 1.00 0.00 O ATOM 177 CB ASN A 19 -0.050 11.058 1.073 1.00 0.00 C ATOM 178 CG ASN A 19 1.082 11.278 0.086 1.00 0.00 C ATOM 179 OD1 ASN A 19 0.907 11.916 -0.953 1.00 0.00 O ATOM 180 ND2 ASN A 19 2.250 10.745 0.399 1.00 0.00 N ATOM 0 H ASN A 19 -1.440 13.009 0.432 1.00 0.00 H new ATOM 0 HA ASN A 19 -1.330 10.246 -0.448 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -0.080 11.892 1.774 1.00 0.00 H new ATOM 0 HB3 ASN A 19 0.154 10.159 1.655 1.00 0.00 H new ATOM 0 HD21 ASN A 19 3.046 10.855 -0.229 1.00 0.00 H new ATOM 0 HD22 ASN A 19 2.356 10.223 1.269 1.00 0.00 H new ATOM 187 N LYS A 20 -3.176 11.119 2.072 1.00 0.00 N ATOM 188 CA LYS A 20 -4.229 10.621 2.952 1.00 0.00 C ATOM 189 C LYS A 20 -5.490 10.366 2.139 1.00 0.00 C ATOM 190 O LYS A 20 -6.201 11.303 1.778 1.00 0.00 O ATOM 191 CB LYS A 20 -4.510 11.671 4.033 1.00 0.00 C ATOM 192 CG LYS A 20 -5.646 11.320 4.968 1.00 0.00 C ATOM 193 CD LYS A 20 -5.236 10.270 5.961 1.00 0.00 C ATOM 194 CE LYS A 20 -4.746 10.856 7.263 1.00 0.00 C ATOM 195 NZ LYS A 20 -5.825 11.575 8.000 1.00 0.00 N ATOM 0 H LYS A 20 -3.073 12.134 2.066 1.00 0.00 H new ATOM 0 HA LYS A 20 -3.914 9.689 3.421 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -3.605 11.820 4.621 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -4.735 12.621 3.549 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -5.973 12.215 5.497 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -6.498 10.963 4.389 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -6.083 9.613 6.159 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -4.449 9.653 5.527 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -4.349 10.059 7.891 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -3.924 11.544 7.063 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -5.594 11.603 9.014 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -5.907 12.546 7.636 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -6.728 11.078 7.865 1.00 0.00 H new ATOM 209 N PHE A 21 -5.766 9.100 1.872 1.00 0.00 N ATOM 210 CA PHE A 21 -6.966 8.723 1.135 1.00 0.00 C ATOM 211 C PHE A 21 -7.910 7.895 1.984 1.00 0.00 C ATOM 212 O PHE A 21 -7.543 6.835 2.462 1.00 0.00 O ATOM 213 CB PHE A 21 -6.571 7.932 -0.119 1.00 0.00 C ATOM 214 CG PHE A 21 -6.068 8.785 -1.247 1.00 0.00 C ATOM 215 CD1 PHE A 21 -6.488 10.099 -1.404 1.00 0.00 C ATOM 216 CD2 PHE A 21 -5.159 8.270 -2.147 1.00 0.00 C ATOM 217 CE1 PHE A 21 -6.006 10.869 -2.443 1.00 0.00 C ATOM 218 CE2 PHE A 21 -4.675 9.027 -3.174 1.00 0.00 C ATOM 219 CZ PHE A 21 -5.094 10.328 -3.329 1.00 0.00 C ATOM 0 H PHE A 21 -5.178 8.315 2.153 1.00 0.00 H new ATOM 0 HA PHE A 21 -7.487 9.638 0.852 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -5.800 7.209 0.148 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -7.435 7.364 -0.464 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -7.197 10.522 -0.708 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -4.824 7.249 -2.037 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -6.340 11.889 -2.563 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -3.962 8.604 -3.866 1.00 0.00 H new ATOM 0 HZ PHE A 21 -4.711 10.926 -4.142 1.00 0.00 H new ATOM 229 N LYS A 22 -9.124 8.382 2.180 1.00 0.00 N ATOM 230 CA LYS A 22 -10.152 7.581 2.829 1.00 0.00 C ATOM 231 C LYS A 22 -10.511 6.399 1.949 1.00 0.00 C ATOM 232 O LYS A 22 -11.153 6.552 0.913 1.00 0.00 O ATOM 233 CB LYS A 22 -11.396 8.411 3.112 1.00 0.00 C ATOM 234 CG LYS A 22 -11.531 8.855 4.549 1.00 0.00 C ATOM 235 CD LYS A 22 -11.790 7.684 5.484 1.00 0.00 C ATOM 236 CE LYS A 22 -13.190 7.128 5.319 1.00 0.00 C ATOM 237 NZ LYS A 22 -14.232 8.140 5.637 1.00 0.00 N ATOM 0 H LYS A 22 -9.421 9.318 1.903 1.00 0.00 H new ATOM 0 HA LYS A 22 -9.758 7.223 3.780 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -11.384 9.292 2.471 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -12.277 7.830 2.839 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -10.621 9.370 4.856 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -12.347 9.573 4.632 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -11.062 6.897 5.290 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -11.646 8.005 6.516 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -13.323 6.780 4.295 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -13.315 6.262 5.969 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -15.139 7.662 5.811 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -13.952 8.671 6.486 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -14.334 8.796 4.837 1.00 0.00 H new ATOM 251 N VAL A 23 -10.068 5.224 2.348 1.00 0.00 N ATOM 252 CA VAL A 23 -10.359 4.017 1.616 1.00 0.00 C ATOM 253 C VAL A 23 -11.495 3.278 2.300 1.00 0.00 C ATOM 254 O VAL A 23 -12.112 3.785 3.232 1.00 0.00 O ATOM 255 CB VAL A 23 -9.107 3.113 1.537 1.00 0.00 C ATOM 256 CG1 VAL A 23 -7.949 3.890 0.943 1.00 0.00 C ATOM 257 CG2 VAL A 23 -8.729 2.574 2.907 1.00 0.00 C ATOM 0 H VAL A 23 -9.500 5.083 3.184 1.00 0.00 H new ATOM 0 HA VAL A 23 -10.654 4.279 0.600 1.00 0.00 H new ATOM 0 HB VAL A 23 -9.339 2.263 0.895 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -7.070 3.248 0.890 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -8.213 4.227 -0.059 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -7.730 4.754 1.571 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -7.845 1.942 2.818 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -8.515 3.405 3.579 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -9.556 1.987 3.308 1.00 0.00 H new ATOM 267 N ILE A 24 -11.800 2.103 1.826 1.00 0.00 N ATOM 268 CA ILE A 24 -12.769 1.273 2.492 1.00 0.00 C ATOM 269 C ILE A 24 -12.210 -0.121 2.681 1.00 0.00 C ATOM 270 O ILE A 24 -12.108 -0.856 1.719 1.00 0.00 O ATOM 271 CB ILE A 24 -14.054 1.141 1.682 1.00 0.00 C ATOM 272 CG1 ILE A 24 -14.792 2.450 1.517 1.00 0.00 C ATOM 273 CG2 ILE A 24 -14.969 0.181 2.360 1.00 0.00 C ATOM 274 CD1 ILE A 24 -15.619 2.470 0.253 1.00 0.00 C ATOM 0 H ILE A 24 -11.394 1.697 0.983 1.00 0.00 H new ATOM 0 HA ILE A 24 -12.989 1.747 3.449 1.00 0.00 H new ATOM 0 HB ILE A 24 -13.761 0.793 0.691 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -15.440 2.614 2.378 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -14.076 3.271 1.496 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -15.888 0.085 1.783 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -14.484 -0.792 2.435 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -15.205 0.547 3.359 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -16.134 3.427 0.170 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -14.968 2.333 -0.610 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -16.353 1.665 0.286 1.00 0.00 H new ATOM 286 N ASN A 25 -11.846 -0.506 3.886 1.00 0.00 N ATOM 287 CA ASN A 25 -11.385 -1.868 4.080 1.00 0.00 C ATOM 288 C ASN A 25 -12.505 -2.841 3.720 1.00 0.00 C ATOM 289 O ASN A 25 -13.564 -2.860 4.358 1.00 0.00 O ATOM 290 CB ASN A 25 -10.888 -2.073 5.515 1.00 0.00 C ATOM 291 CG ASN A 25 -11.024 -3.501 6.025 1.00 0.00 C ATOM 292 OD1 ASN A 25 -10.871 -4.466 5.283 1.00 0.00 O ATOM 293 ND2 ASN A 25 -11.325 -3.637 7.305 1.00 0.00 N ATOM 0 H ASN A 25 -11.858 0.080 4.721 1.00 0.00 H new ATOM 0 HA ASN A 25 -10.539 -2.063 3.421 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -9.840 -1.778 5.570 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -11.442 -1.408 6.178 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -11.438 -4.568 7.706 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -11.445 -2.811 7.891 1.00 0.00 H new ATOM 300 N VAL A 26 -12.271 -3.612 2.667 1.00 0.00 N ATOM 301 CA VAL A 26 -13.268 -4.521 2.129 1.00 0.00 C ATOM 302 C VAL A 26 -12.627 -5.889 1.940 1.00 0.00 C ATOM 303 O VAL A 26 -11.586 -6.007 1.298 1.00 0.00 O ATOM 304 CB VAL A 26 -13.811 -3.974 0.788 1.00 0.00 C ATOM 305 CG1 VAL A 26 -14.586 -2.695 1.041 1.00 0.00 C ATOM 306 CG2 VAL A 26 -12.693 -3.705 -0.194 1.00 0.00 C ATOM 0 H VAL A 26 -11.384 -3.623 2.163 1.00 0.00 H new ATOM 0 HA VAL A 26 -14.108 -4.611 2.818 1.00 0.00 H new ATOM 0 HB VAL A 26 -14.466 -4.729 0.353 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -14.969 -2.309 0.096 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -15.419 -2.901 1.713 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -13.928 -1.955 1.495 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -13.111 -3.322 -1.125 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -12.008 -2.969 0.227 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -12.153 -4.631 -0.393 1.00 0.00 H new ATOM 316 N ASP A 27 -13.234 -6.935 2.473 1.00 0.00 N ATOM 317 CA ASP A 27 -12.546 -8.216 2.491 1.00 0.00 C ATOM 318 C ASP A 27 -13.358 -9.328 1.854 1.00 0.00 C ATOM 319 O ASP A 27 -14.512 -9.550 2.213 1.00 0.00 O ATOM 320 CB ASP A 27 -12.152 -8.592 3.922 1.00 0.00 C ATOM 321 CG ASP A 27 -11.356 -9.882 3.998 1.00 0.00 C ATOM 322 OD1 ASP A 27 -10.154 -9.870 3.651 1.00 0.00 O ATOM 323 OD2 ASP A 27 -11.928 -10.911 4.421 1.00 0.00 O ATOM 0 H ASP A 27 -14.167 -6.929 2.885 1.00 0.00 H new ATOM 0 HA ASP A 27 -11.645 -8.099 1.888 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -11.564 -7.783 4.356 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -13.053 -8.691 4.527 1.00 0.00 H new ATOM 328 N ASP A 28 -12.723 -10.005 0.891 1.00 0.00 N ATOM 329 CA ASP A 28 -13.270 -11.188 0.203 1.00 0.00 C ATOM 330 C ASP A 28 -14.646 -10.973 -0.426 1.00 0.00 C ATOM 331 O ASP A 28 -15.242 -11.913 -0.944 1.00 0.00 O ATOM 332 CB ASP A 28 -13.325 -12.389 1.146 1.00 0.00 C ATOM 333 CG ASP A 28 -12.076 -13.235 1.062 1.00 0.00 C ATOM 334 OD1 ASP A 28 -12.036 -14.165 0.229 1.00 0.00 O ATOM 335 OD2 ASP A 28 -11.121 -12.978 1.813 1.00 0.00 O ATOM 0 H ASP A 28 -11.795 -9.743 0.559 1.00 0.00 H new ATOM 0 HA ASP A 28 -12.580 -11.380 -0.618 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -13.458 -12.040 2.170 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -14.194 -13.001 0.903 1.00 0.00 H new ATOM 340 N ASP A 29 -15.139 -9.751 -0.403 1.00 0.00 N ATOM 341 CA ASP A 29 -16.433 -9.450 -0.998 1.00 0.00 C ATOM 342 C ASP A 29 -16.439 -8.037 -1.565 1.00 0.00 C ATOM 343 O ASP A 29 -17.363 -7.629 -2.265 1.00 0.00 O ATOM 344 CB ASP A 29 -17.547 -9.608 0.041 1.00 0.00 C ATOM 345 CG ASP A 29 -18.929 -9.468 -0.565 1.00 0.00 C ATOM 346 OD1 ASP A 29 -19.276 -10.280 -1.451 1.00 0.00 O ATOM 347 OD2 ASP A 29 -19.671 -8.546 -0.169 1.00 0.00 O ATOM 0 H ASP A 29 -14.668 -8.950 0.019 1.00 0.00 H new ATOM 0 HA ASP A 29 -16.612 -10.153 -1.811 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -17.460 -10.585 0.517 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -17.419 -8.860 0.823 1.00 0.00 H new ATOM 352 N GLY A 30 -15.365 -7.305 -1.288 1.00 0.00 N ATOM 353 CA GLY A 30 -15.318 -5.893 -1.619 1.00 0.00 C ATOM 354 C GLY A 30 -16.343 -5.139 -0.816 1.00 0.00 C ATOM 355 O GLY A 30 -16.791 -4.067 -1.203 1.00 0.00 O ATOM 0 H GLY A 30 -14.524 -7.666 -0.839 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -14.323 -5.497 -1.416 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -15.505 -5.755 -2.684 1.00 0.00 H new ATOM 359 N ASN A 31 -16.704 -5.720 0.317 1.00 0.00 N ATOM 360 CA ASN A 31 -17.720 -5.161 1.182 1.00 0.00 C ATOM 361 C ASN A 31 -17.077 -4.278 2.216 1.00 0.00 C ATOM 362 O ASN A 31 -16.129 -4.702 2.871 1.00 0.00 O ATOM 363 CB ASN A 31 -18.490 -6.287 1.872 1.00 0.00 C ATOM 364 CG ASN A 31 -19.861 -5.858 2.366 1.00 0.00 C ATOM 365 OD1 ASN A 31 -20.067 -4.708 2.762 1.00 0.00 O ATOM 366 ND2 ASN A 31 -20.808 -6.779 2.339 1.00 0.00 N ATOM 0 H ASN A 31 -16.299 -6.591 0.659 1.00 0.00 H new ATOM 0 HA ASN A 31 -18.412 -4.568 0.584 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -18.605 -7.119 1.177 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -17.906 -6.655 2.715 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -21.751 -6.550 2.653 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -20.596 -7.719 2.004 1.00 0.00 H new ATOM 373 N GLU A 32 -17.540 -3.034 2.306 1.00 0.00 N ATOM 374 CA GLU A 32 -17.064 -2.104 3.314 1.00 0.00 C ATOM 375 C GLU A 32 -17.267 -2.663 4.725 1.00 0.00 C ATOM 376 O GLU A 32 -18.232 -2.325 5.410 1.00 0.00 O ATOM 377 CB GLU A 32 -17.801 -0.773 3.167 1.00 0.00 C ATOM 378 CG GLU A 32 -17.952 -0.349 1.717 1.00 0.00 C ATOM 379 CD GLU A 32 -19.325 -0.629 1.162 1.00 0.00 C ATOM 380 OE1 GLU A 32 -19.556 -1.775 0.736 1.00 0.00 O ATOM 381 OE2 GLU A 32 -20.159 0.290 1.124 1.00 0.00 O ATOM 0 H GLU A 32 -18.251 -2.649 1.684 1.00 0.00 H new ATOM 0 HA GLU A 32 -15.995 -1.951 3.165 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -18.788 -0.856 3.623 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -17.261 -0.000 3.714 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -17.742 0.717 1.632 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -17.209 -0.869 1.113 1.00 0.00 H new ATOM 388 N LEU A 33 -16.350 -3.518 5.145 1.00 0.00 N ATOM 389 CA LEU A 33 -16.423 -4.163 6.445 1.00 0.00 C ATOM 390 C LEU A 33 -15.954 -3.202 7.522 1.00 0.00 C ATOM 391 O LEU A 33 -16.421 -3.237 8.662 1.00 0.00 O ATOM 392 CB LEU A 33 -15.576 -5.444 6.434 1.00 0.00 C ATOM 393 CG LEU A 33 -16.298 -6.724 5.985 1.00 0.00 C ATOM 394 CD1 LEU A 33 -17.477 -6.399 5.105 1.00 0.00 C ATOM 395 CD2 LEU A 33 -15.356 -7.614 5.206 1.00 0.00 C ATOM 0 H LEU A 33 -15.534 -3.785 4.594 1.00 0.00 H new ATOM 0 HA LEU A 33 -17.455 -4.438 6.663 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -14.720 -5.284 5.779 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -15.183 -5.605 7.438 1.00 0.00 H new ATOM 0 HG LEU A 33 -16.643 -7.236 6.883 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -17.970 -7.323 4.801 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -18.181 -5.776 5.656 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -17.134 -5.863 4.220 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -15.882 -8.517 4.895 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -14.997 -7.081 4.325 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -14.509 -7.887 5.835 1.00 0.00 H new ATOM 407 N GLY A 34 -15.036 -2.336 7.131 1.00 0.00 N ATOM 408 CA GLY A 34 -14.558 -1.287 7.998 1.00 0.00 C ATOM 409 C GLY A 34 -13.811 -0.252 7.197 1.00 0.00 C ATOM 410 O GLY A 34 -12.587 -0.307 7.096 1.00 0.00 O ATOM 0 H GLY A 34 -14.606 -2.344 6.206 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -15.397 -0.822 8.515 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -13.905 -1.707 8.763 1.00 0.00 H new ATOM 414 N SER A 35 -14.543 0.672 6.592 1.00 0.00 N ATOM 415 CA SER A 35 -13.937 1.631 5.688 1.00 0.00 C ATOM 416 C SER A 35 -12.876 2.457 6.418 1.00 0.00 C ATOM 417 O SER A 35 -13.121 3.007 7.495 1.00 0.00 O ATOM 418 CB SER A 35 -15.006 2.508 5.035 1.00 0.00 C ATOM 419 OG SER A 35 -15.805 3.161 6.005 1.00 0.00 O ATOM 0 H SER A 35 -15.551 0.776 6.711 1.00 0.00 H new ATOM 0 HA SER A 35 -13.433 1.092 4.886 1.00 0.00 H new ATOM 0 HB2 SER A 35 -14.528 3.251 4.396 1.00 0.00 H new ATOM 0 HB3 SER A 35 -15.639 1.895 4.393 1.00 0.00 H new ATOM 0 HG SER A 35 -16.477 3.715 5.556 1.00 0.00 H new ATOM 425 N GLY A 36 -11.696 2.523 5.822 1.00 0.00 N ATOM 426 CA GLY A 36 -10.537 3.046 6.511 1.00 0.00 C ATOM 427 C GLY A 36 -9.945 4.261 5.826 1.00 0.00 C ATOM 428 O GLY A 36 -10.577 4.900 5.000 1.00 0.00 O ATOM 0 H GLY A 36 -11.520 2.220 4.864 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -10.815 3.309 7.532 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -9.778 2.267 6.578 1.00 0.00 H new ATOM 432 N ILE A 37 -8.734 4.580 6.203 1.00 0.00 N ATOM 433 CA ILE A 37 -7.901 5.532 5.492 1.00 0.00 C ATOM 434 C ILE A 37 -6.769 4.755 4.876 1.00 0.00 C ATOM 435 O ILE A 37 -6.487 3.669 5.311 1.00 0.00 O ATOM 436 CB ILE A 37 -7.275 6.541 6.478 1.00 0.00 C ATOM 437 CG1 ILE A 37 -8.278 7.521 7.039 1.00 0.00 C ATOM 438 CG2 ILE A 37 -6.138 7.339 5.877 1.00 0.00 C ATOM 439 CD1 ILE A 37 -8.686 8.614 6.073 1.00 0.00 C ATOM 0 H ILE A 37 -8.285 4.181 7.028 1.00 0.00 H new ATOM 0 HA ILE A 37 -8.500 6.064 4.753 1.00 0.00 H new ATOM 0 HB ILE A 37 -6.891 5.911 7.280 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -9.169 6.975 7.349 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -7.859 7.981 7.934 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -5.743 8.029 6.623 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -5.347 6.661 5.556 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -6.503 7.903 5.019 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -9.408 9.274 6.554 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -7.807 9.189 5.781 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -9.137 8.167 5.187 1.00 0.00 H new ATOM 451 N MET A 38 -6.135 5.282 3.882 1.00 0.00 N ATOM 452 CA MET A 38 -4.868 4.764 3.471 1.00 0.00 C ATOM 453 C MET A 38 -3.924 5.931 3.288 1.00 0.00 C ATOM 454 O MET A 38 -3.829 6.521 2.215 1.00 0.00 O ATOM 455 CB MET A 38 -5.027 3.919 2.226 1.00 0.00 C ATOM 456 CG MET A 38 -3.825 3.093 1.896 1.00 0.00 C ATOM 457 SD MET A 38 -3.484 1.894 3.173 1.00 0.00 S ATOM 458 CE MET A 38 -5.107 1.155 3.233 1.00 0.00 C ATOM 0 H MET A 38 -6.473 6.074 3.336 1.00 0.00 H new ATOM 0 HA MET A 38 -4.445 4.101 4.226 1.00 0.00 H new ATOM 0 HB2 MET A 38 -5.885 3.259 2.354 1.00 0.00 H new ATOM 0 HB3 MET A 38 -5.250 4.572 1.382 1.00 0.00 H new ATOM 0 HG2 MET A 38 -3.984 2.580 0.947 1.00 0.00 H new ATOM 0 HG3 MET A 38 -2.960 3.743 1.766 1.00 0.00 H new ATOM 0 HE1 MET A 38 -5.044 0.177 3.709 1.00 0.00 H new ATOM 0 HE2 MET A 38 -5.777 1.795 3.807 1.00 0.00 H new ATOM 0 HE3 MET A 38 -5.493 1.041 2.220 1.00 0.00 H new ATOM 468 N GLU A 39 -3.269 6.280 4.387 1.00 0.00 N ATOM 469 CA GLU A 39 -2.372 7.402 4.443 1.00 0.00 C ATOM 470 C GLU A 39 -1.041 6.976 3.842 1.00 0.00 C ATOM 471 O GLU A 39 -0.210 6.354 4.511 1.00 0.00 O ATOM 472 CB GLU A 39 -2.175 7.799 5.900 1.00 0.00 C ATOM 473 CG GLU A 39 -1.103 8.847 6.130 1.00 0.00 C ATOM 474 CD GLU A 39 -1.647 10.185 6.591 1.00 0.00 C ATOM 475 OE1 GLU A 39 -1.831 10.359 7.815 1.00 0.00 O ATOM 476 OE2 GLU A 39 -1.896 11.069 5.737 1.00 0.00 O ATOM 0 H GLU A 39 -3.354 5.778 5.271 1.00 0.00 H new ATOM 0 HA GLU A 39 -2.775 8.250 3.889 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -3.121 8.174 6.292 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -1.923 6.908 6.475 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -0.398 8.476 6.874 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -0.544 8.991 5.205 1.00 0.00 H new ATOM 483 N LEU A 40 -0.860 7.267 2.578 1.00 0.00 N ATOM 484 CA LEU A 40 0.321 6.839 1.866 1.00 0.00 C ATOM 485 C LEU A 40 1.537 7.662 2.270 1.00 0.00 C ATOM 486 O LEU A 40 1.504 8.886 2.240 1.00 0.00 O ATOM 487 CB LEU A 40 0.073 6.948 0.365 1.00 0.00 C ATOM 488 CG LEU A 40 -0.235 5.630 -0.345 1.00 0.00 C ATOM 489 CD1 LEU A 40 -0.487 5.877 -1.814 1.00 0.00 C ATOM 490 CD2 LEU A 40 0.932 4.671 -0.185 1.00 0.00 C ATOM 0 H LEU A 40 -1.521 7.803 2.016 1.00 0.00 H new ATOM 0 HA LEU A 40 0.529 5.801 2.124 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -0.758 7.633 0.200 1.00 0.00 H new ATOM 0 HB3 LEU A 40 0.952 7.395 -0.100 1.00 0.00 H new ATOM 0 HG LEU A 40 -1.127 5.192 0.102 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -0.705 4.931 -2.310 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -1.335 6.551 -1.929 1.00 0.00 H new ATOM 0 HD13 LEU A 40 0.398 6.327 -2.264 1.00 0.00 H new ATOM 0 HD21 LEU A 40 0.705 3.734 -0.694 1.00 0.00 H new ATOM 0 HD22 LEU A 40 1.828 5.113 -0.621 1.00 0.00 H new ATOM 0 HD23 LEU A 40 1.101 4.477 0.874 1.00 0.00 H new ATOM 502 N THR A 41 2.604 6.995 2.683 1.00 0.00 N ATOM 503 CA THR A 41 3.840 7.691 2.998 1.00 0.00 C ATOM 504 C THR A 41 5.032 7.010 2.329 1.00 0.00 C ATOM 505 O THR A 41 4.843 6.127 1.489 1.00 0.00 O ATOM 506 CB THR A 41 4.091 7.787 4.505 1.00 0.00 C ATOM 507 OG1 THR A 41 4.372 6.496 5.061 1.00 0.00 O ATOM 508 CG2 THR A 41 2.900 8.408 5.223 1.00 0.00 C ATOM 0 H THR A 41 2.639 5.983 2.807 1.00 0.00 H new ATOM 0 HA THR A 41 3.730 8.704 2.611 1.00 0.00 H new ATOM 0 HB THR A 41 4.959 8.430 4.650 1.00 0.00 H new ATOM 0 HG1 THR A 41 3.538 5.988 5.147 1.00 0.00 H new ATOM 0 HG21 THR A 41 3.108 8.463 6.292 1.00 0.00 H new ATOM 0 HG22 THR A 41 2.724 9.411 4.835 1.00 0.00 H new ATOM 0 HG23 THR A 41 2.015 7.795 5.057 1.00 0.00 H new ATOM 516 N ASP A 42 6.247 7.416 2.713 1.00 0.00 N ATOM 517 CA ASP A 42 7.483 6.864 2.141 1.00 0.00 C ATOM 518 C ASP A 42 7.510 5.370 2.253 1.00 0.00 C ATOM 519 O ASP A 42 7.754 4.666 1.280 1.00 0.00 O ATOM 520 CB ASP A 42 8.732 7.379 2.863 1.00 0.00 C ATOM 521 CG ASP A 42 8.607 8.804 3.346 1.00 0.00 C ATOM 522 OD1 ASP A 42 7.950 9.029 4.382 1.00 0.00 O ATOM 523 OD2 ASP A 42 9.172 9.709 2.706 1.00 0.00 O ATOM 0 H ASP A 42 6.403 8.131 3.424 1.00 0.00 H new ATOM 0 HA ASP A 42 7.492 7.182 1.098 1.00 0.00 H new ATOM 0 HB2 ASP A 42 8.941 6.732 3.715 1.00 0.00 H new ATOM 0 HB3 ASP A 42 9.586 7.306 2.190 1.00 0.00 H new ATOM 528 N THR A 43 7.281 4.870 3.441 1.00 0.00 N ATOM 529 CA THR A 43 7.503 3.474 3.663 1.00 0.00 C ATOM 530 C THR A 43 6.338 2.786 4.320 1.00 0.00 C ATOM 531 O THR A 43 6.326 1.571 4.397 1.00 0.00 O ATOM 532 CB THR A 43 8.723 3.239 4.545 1.00 0.00 C ATOM 533 OG1 THR A 43 8.489 3.769 5.858 1.00 0.00 O ATOM 534 CG2 THR A 43 9.951 3.899 3.964 1.00 0.00 C ATOM 0 H THR A 43 6.949 5.398 4.248 1.00 0.00 H new ATOM 0 HA THR A 43 7.652 3.053 2.669 1.00 0.00 H new ATOM 0 HB THR A 43 8.892 2.164 4.599 1.00 0.00 H new ATOM 0 HG1 THR A 43 8.075 3.081 6.419 1.00 0.00 H new ATOM 0 HG21 THR A 43 10.806 3.714 4.615 1.00 0.00 H new ATOM 0 HG22 THR A 43 10.152 3.487 2.975 1.00 0.00 H new ATOM 0 HG23 THR A 43 9.783 4.973 3.882 1.00 0.00 H new ATOM 542 N GLU A 44 5.385 3.527 4.829 1.00 0.00 N ATOM 543 CA GLU A 44 4.269 2.892 5.486 1.00 0.00 C ATOM 544 C GLU A 44 2.948 3.406 4.972 1.00 0.00 C ATOM 545 O GLU A 44 2.694 4.605 4.890 1.00 0.00 O ATOM 546 CB GLU A 44 4.353 3.027 7.002 1.00 0.00 C ATOM 547 CG GLU A 44 5.141 1.915 7.667 1.00 0.00 C ATOM 548 CD GLU A 44 6.260 2.431 8.537 1.00 0.00 C ATOM 549 OE1 GLU A 44 6.020 2.695 9.730 1.00 0.00 O ATOM 550 OE2 GLU A 44 7.393 2.571 8.030 1.00 0.00 O ATOM 0 H GLU A 44 5.357 4.546 4.803 1.00 0.00 H new ATOM 0 HA GLU A 44 4.327 1.831 5.244 1.00 0.00 H new ATOM 0 HB2 GLU A 44 4.812 3.984 7.248 1.00 0.00 H new ATOM 0 HB3 GLU A 44 3.344 3.042 7.414 1.00 0.00 H new ATOM 0 HG2 GLU A 44 4.466 1.309 8.272 1.00 0.00 H new ATOM 0 HG3 GLU A 44 5.555 1.261 6.900 1.00 0.00 H new ATOM 557 N LEU A 45 2.137 2.462 4.597 1.00 0.00 N ATOM 558 CA LEU A 45 0.792 2.711 4.179 1.00 0.00 C ATOM 559 C LEU A 45 -0.106 2.738 5.389 1.00 0.00 C ATOM 560 O LEU A 45 -0.588 1.709 5.855 1.00 0.00 O ATOM 561 CB LEU A 45 0.407 1.613 3.207 1.00 0.00 C ATOM 562 CG LEU A 45 0.553 1.958 1.763 1.00 0.00 C ATOM 563 CD1 LEU A 45 0.953 0.734 0.981 1.00 0.00 C ATOM 564 CD2 LEU A 45 -0.748 2.475 1.255 1.00 0.00 C ATOM 0 H LEU A 45 2.399 1.477 4.573 1.00 0.00 H new ATOM 0 HA LEU A 45 0.693 3.676 3.681 1.00 0.00 H new ATOM 0 HB2 LEU A 45 1.017 0.735 3.417 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -0.630 1.333 3.393 1.00 0.00 H new ATOM 0 HG LEU A 45 1.324 2.719 1.645 1.00 0.00 H new ATOM 0 HD11 LEU A 45 1.058 0.993 -0.072 1.00 0.00 H new ATOM 0 HD12 LEU A 45 1.903 0.356 1.358 1.00 0.00 H new ATOM 0 HD13 LEU A 45 0.188 -0.034 1.091 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -0.651 2.730 0.200 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -1.515 1.710 1.374 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -1.031 3.364 1.819 1.00 0.00 H new ATOM 576 N ILE A 46 -0.298 3.931 5.910 1.00 0.00 N ATOM 577 CA ILE A 46 -0.964 4.097 7.175 1.00 0.00 C ATOM 578 C ILE A 46 -2.496 4.084 6.971 1.00 0.00 C ATOM 579 O ILE A 46 -3.122 5.116 6.758 1.00 0.00 O ATOM 580 CB ILE A 46 -0.498 5.415 7.862 1.00 0.00 C ATOM 581 CG1 ILE A 46 1.011 5.457 8.031 1.00 0.00 C ATOM 582 CG2 ILE A 46 -1.169 5.570 9.190 1.00 0.00 C ATOM 583 CD1 ILE A 46 1.600 4.112 8.241 1.00 0.00 C ATOM 0 H ILE A 46 0.001 4.802 5.471 1.00 0.00 H new ATOM 0 HA ILE A 46 -0.700 3.267 7.830 1.00 0.00 H new ATOM 0 HB ILE A 46 -0.783 6.244 7.215 1.00 0.00 H new ATOM 0 HG12 ILE A 46 1.459 5.912 7.148 1.00 0.00 H new ATOM 0 HG13 ILE A 46 1.260 6.095 8.879 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -0.835 6.495 9.661 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -2.249 5.603 9.050 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -0.912 4.725 9.828 1.00 0.00 H new ATOM 0 HD11 ILE A 46 2.680 4.202 8.356 1.00 0.00 H new ATOM 0 HD12 ILE A 46 1.176 3.665 9.140 1.00 0.00 H new ATOM 0 HD13 ILE A 46 1.378 3.479 7.382 1.00 0.00 H new ATOM 595 N LEU A 47 -3.089 2.898 7.050 1.00 0.00 N ATOM 596 CA LEU A 47 -4.538 2.721 6.903 1.00 0.00 C ATOM 597 C LEU A 47 -5.243 3.088 8.208 1.00 0.00 C ATOM 598 O LEU A 47 -5.042 2.423 9.213 1.00 0.00 O ATOM 599 CB LEU A 47 -4.860 1.258 6.630 1.00 0.00 C ATOM 600 CG LEU A 47 -6.313 0.824 6.905 1.00 0.00 C ATOM 601 CD1 LEU A 47 -7.234 1.014 5.706 1.00 0.00 C ATOM 602 CD2 LEU A 47 -6.306 -0.618 7.288 1.00 0.00 C ATOM 0 H LEU A 47 -2.583 2.029 7.218 1.00 0.00 H new ATOM 0 HA LEU A 47 -4.871 3.356 6.082 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -4.629 1.044 5.586 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -4.196 0.641 7.236 1.00 0.00 H new ATOM 0 HG LEU A 47 -6.700 1.456 7.704 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -8.242 0.690 5.966 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -7.253 2.067 5.425 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -6.867 0.422 4.868 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -7.326 -0.946 7.487 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -5.887 -1.209 6.473 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -5.700 -0.754 8.184 1.00 0.00 H new ATOM 614 N TYR A 48 -6.084 4.096 8.223 1.00 0.00 N ATOM 615 CA TYR A 48 -6.804 4.401 9.458 1.00 0.00 C ATOM 616 C TYR A 48 -8.096 3.609 9.486 1.00 0.00 C ATOM 617 O TYR A 48 -9.064 3.993 8.843 1.00 0.00 O ATOM 618 CB TYR A 48 -7.133 5.887 9.629 1.00 0.00 C ATOM 619 CG TYR A 48 -5.937 6.763 9.787 1.00 0.00 C ATOM 620 CD1 TYR A 48 -4.954 6.692 8.861 1.00 0.00 C ATOM 621 CD2 TYR A 48 -5.800 7.662 10.833 1.00 0.00 C ATOM 622 CE1 TYR A 48 -3.853 7.464 8.926 1.00 0.00 C ATOM 623 CE2 TYR A 48 -4.679 8.464 10.924 1.00 0.00 C ATOM 624 CZ TYR A 48 -3.701 8.362 9.958 1.00 0.00 C ATOM 625 OH TYR A 48 -2.582 9.156 10.022 1.00 0.00 O ATOM 0 H TYR A 48 -6.289 4.705 7.431 1.00 0.00 H new ATOM 0 HA TYR A 48 -6.143 4.126 10.280 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -7.704 6.223 8.764 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -7.776 6.007 10.501 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -5.055 5.994 8.043 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -6.575 7.736 11.582 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -3.089 7.379 8.168 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -4.570 9.162 11.741 1.00 0.00 H new ATOM 0 HH TYR A 48 -2.388 9.520 9.133 1.00 0.00 H new ATOM 635 N THR A 49 -8.116 2.509 10.211 1.00 0.00 N ATOM 636 CA THR A 49 -9.318 1.689 10.276 1.00 0.00 C ATOM 637 C THR A 49 -10.397 2.370 11.111 1.00 0.00 C ATOM 638 O THR A 49 -10.184 3.467 11.630 1.00 0.00 O ATOM 639 CB THR A 49 -9.034 0.312 10.854 1.00 0.00 C ATOM 640 OG1 THR A 49 -8.141 0.431 11.950 1.00 0.00 O ATOM 641 CG2 THR A 49 -8.452 -0.599 9.802 1.00 0.00 C ATOM 0 H THR A 49 -7.328 2.162 10.758 1.00 0.00 H new ATOM 0 HA THR A 49 -9.671 1.569 9.252 1.00 0.00 H new ATOM 0 HB THR A 49 -9.971 -0.124 11.199 1.00 0.00 H new ATOM 0 HG1 THR A 49 -7.231 0.573 11.616 1.00 0.00 H new ATOM 0 HG21 THR A 49 -8.256 -1.579 10.237 1.00 0.00 H new ATOM 0 HG22 THR A 49 -9.159 -0.702 8.979 1.00 0.00 H new ATOM 0 HG23 THR A 49 -7.520 -0.175 9.429 1.00 0.00 H new ATOM 649 N ARG A 50 -11.541 1.724 11.263 1.00 0.00 N ATOM 650 CA ARG A 50 -12.621 2.309 12.029 1.00 0.00 C ATOM 651 C ARG A 50 -12.313 2.299 13.517 1.00 0.00 C ATOM 652 O ARG A 50 -12.074 3.343 14.123 1.00 0.00 O ATOM 653 CB ARG A 50 -13.918 1.561 11.776 1.00 0.00 C ATOM 654 CG ARG A 50 -14.985 2.427 11.142 1.00 0.00 C ATOM 655 CD ARG A 50 -15.259 3.667 11.976 1.00 0.00 C ATOM 656 NE ARG A 50 -14.265 4.714 11.727 1.00 0.00 N ATOM 657 CZ ARG A 50 -14.061 5.766 12.515 1.00 0.00 C ATOM 658 NH1 ARG A 50 -14.805 5.945 13.600 1.00 0.00 N ATOM 659 NH2 ARG A 50 -13.113 6.643 12.210 1.00 0.00 N ATOM 0 H ARG A 50 -11.742 0.805 10.870 1.00 0.00 H new ATOM 0 HA ARG A 50 -12.729 3.344 11.704 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -13.718 0.707 11.128 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -14.293 1.165 12.720 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -14.669 2.722 10.141 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -15.904 1.852 11.030 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -16.254 4.048 11.747 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -15.254 3.403 13.034 1.00 0.00 H new ATOM 0 HE ARG A 50 -13.688 4.630 10.890 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -15.537 5.274 13.833 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -14.644 6.753 14.201 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -12.544 6.509 11.374 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -12.953 7.451 12.811 1.00 0.00 H new ATOM 673 N LYS A 51 -12.325 1.117 14.099 1.00 0.00 N ATOM 674 CA LYS A 51 -12.119 0.959 15.528 1.00 0.00 C ATOM 675 C LYS A 51 -10.864 0.157 15.836 1.00 0.00 C ATOM 676 O LYS A 51 -10.654 -0.308 16.958 1.00 0.00 O ATOM 677 CB LYS A 51 -13.371 0.376 16.131 1.00 0.00 C ATOM 678 CG LYS A 51 -14.468 1.423 16.207 1.00 0.00 C ATOM 679 CD LYS A 51 -14.295 2.306 17.433 1.00 0.00 C ATOM 680 CE LYS A 51 -13.450 3.548 17.187 1.00 0.00 C ATOM 681 NZ LYS A 51 -13.840 4.280 15.956 1.00 0.00 N ATOM 0 H LYS A 51 -12.477 0.241 13.599 1.00 0.00 H new ATOM 0 HA LYS A 51 -11.941 1.931 15.988 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -13.709 -0.470 15.532 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -13.156 -0.006 17.129 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -14.452 2.037 15.307 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -15.441 0.933 16.242 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -15.279 2.613 17.789 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -13.837 1.719 18.229 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -13.538 4.216 18.044 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -12.402 3.259 17.115 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -13.706 5.301 16.102 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -13.248 3.963 15.162 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -14.839 4.089 15.741 1.00 0.00 H new ATOM 695 N ARG A 52 -10.047 -0.017 14.815 1.00 0.00 N ATOM 696 CA ARG A 52 -8.792 -0.737 14.933 1.00 0.00 C ATOM 697 C ARG A 52 -7.608 0.234 14.960 1.00 0.00 C ATOM 698 O ARG A 52 -6.494 -0.121 15.359 1.00 0.00 O ATOM 699 CB ARG A 52 -8.661 -1.669 13.757 1.00 0.00 C ATOM 700 CG ARG A 52 -7.450 -2.541 13.833 1.00 0.00 C ATOM 701 CD ARG A 52 -7.808 -3.887 14.404 1.00 0.00 C ATOM 702 NE ARG A 52 -6.641 -4.708 14.712 1.00 0.00 N ATOM 703 CZ ARG A 52 -6.397 -5.891 14.147 1.00 0.00 C ATOM 704 NH1 ARG A 52 -7.163 -6.338 13.157 1.00 0.00 N ATOM 705 NH2 ARG A 52 -5.375 -6.622 14.558 1.00 0.00 N ATOM 0 H ARG A 52 -10.235 0.338 13.877 1.00 0.00 H new ATOM 0 HA ARG A 52 -8.787 -1.302 15.865 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -9.550 -2.297 13.697 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -8.622 -1.083 12.839 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -7.019 -2.663 12.839 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -6.690 -2.066 14.454 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -8.395 -3.745 15.312 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -8.442 -4.419 13.694 1.00 0.00 H new ATOM 0 HE ARG A 52 -5.974 -4.357 15.399 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -7.945 -5.775 12.823 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -6.969 -7.244 12.731 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -4.773 -6.281 15.307 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -5.189 -7.527 14.126 1.00 0.00 H new ATOM 719 N ASP A 53 -7.879 1.448 14.489 1.00 0.00 N ATOM 720 CA ASP A 53 -6.933 2.556 14.470 1.00 0.00 C ATOM 721 C ASP A 53 -5.913 2.418 13.342 1.00 0.00 C ATOM 722 O ASP A 53 -5.868 1.400 12.655 1.00 0.00 O ATOM 723 CB ASP A 53 -6.306 2.703 15.853 1.00 0.00 C ATOM 724 CG ASP A 53 -4.921 3.320 15.874 1.00 0.00 C ATOM 725 OD1 ASP A 53 -4.790 4.536 15.599 1.00 0.00 O ATOM 726 OD2 ASP A 53 -3.950 2.584 16.142 1.00 0.00 O ATOM 0 H ASP A 53 -8.789 1.693 14.099 1.00 0.00 H new ATOM 0 HA ASP A 53 -7.461 3.483 14.248 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -6.966 3.312 16.470 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -6.254 1.718 16.317 1.00 0.00 H new ATOM 731 N SER A 54 -5.156 3.482 13.122 1.00 0.00 N ATOM 732 CA SER A 54 -4.182 3.563 12.045 1.00 0.00 C ATOM 733 C SER A 54 -3.281 2.334 11.994 1.00 0.00 C ATOM 734 O SER A 54 -2.327 2.185 12.761 1.00 0.00 O ATOM 735 CB SER A 54 -3.349 4.839 12.154 1.00 0.00 C ATOM 736 OG SER A 54 -2.718 4.952 13.415 1.00 0.00 O ATOM 0 H SER A 54 -5.202 4.325 13.695 1.00 0.00 H new ATOM 0 HA SER A 54 -4.742 3.595 11.110 1.00 0.00 H new ATOM 0 HB2 SER A 54 -2.594 4.847 11.368 1.00 0.00 H new ATOM 0 HB3 SER A 54 -3.989 5.706 11.990 1.00 0.00 H new ATOM 0 HG SER A 54 -3.397 4.948 14.122 1.00 0.00 H new ATOM 742 N VAL A 55 -3.641 1.460 11.084 1.00 0.00 N ATOM 743 CA VAL A 55 -2.831 0.327 10.699 1.00 0.00 C ATOM 744 C VAL A 55 -1.762 0.829 9.756 1.00 0.00 C ATOM 745 O VAL A 55 -1.904 1.907 9.190 1.00 0.00 O ATOM 746 CB VAL A 55 -3.662 -0.725 9.966 1.00 0.00 C ATOM 747 CG1 VAL A 55 -2.894 -1.996 9.807 1.00 0.00 C ATOM 748 CG2 VAL A 55 -4.960 -1.008 10.673 1.00 0.00 C ATOM 0 H VAL A 55 -4.525 1.518 10.579 1.00 0.00 H new ATOM 0 HA VAL A 55 -2.407 -0.130 11.593 1.00 0.00 H new ATOM 0 HB VAL A 55 -3.890 -0.316 8.982 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -3.507 -2.729 9.282 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -1.988 -1.804 9.233 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -2.626 -2.384 10.790 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -5.520 -1.761 10.118 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -4.754 -1.376 11.678 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -5.548 -0.092 10.735 1.00 0.00 H new ATOM 758 N LYS A 56 -0.697 0.083 9.576 1.00 0.00 N ATOM 759 CA LYS A 56 0.384 0.561 8.720 1.00 0.00 C ATOM 760 C LYS A 56 0.900 -0.564 7.831 1.00 0.00 C ATOM 761 O LYS A 56 1.043 -1.695 8.289 1.00 0.00 O ATOM 762 CB LYS A 56 1.588 1.105 9.500 1.00 0.00 C ATOM 763 CG LYS A 56 1.359 1.652 10.907 1.00 0.00 C ATOM 764 CD LYS A 56 0.266 2.690 11.053 1.00 0.00 C ATOM 765 CE LYS A 56 0.877 4.023 11.417 1.00 0.00 C ATOM 766 NZ LYS A 56 -0.027 4.871 12.234 1.00 0.00 N ATOM 0 H LYS A 56 -0.549 -0.835 9.995 1.00 0.00 H new ATOM 0 HA LYS A 56 -0.052 1.372 8.137 1.00 0.00 H new ATOM 0 HB2 LYS A 56 2.325 0.305 9.571 1.00 0.00 H new ATOM 0 HB3 LYS A 56 2.037 1.900 8.904 1.00 0.00 H new ATOM 0 HG2 LYS A 56 1.127 0.815 11.566 1.00 0.00 H new ATOM 0 HG3 LYS A 56 2.294 2.087 11.261 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -0.293 2.777 10.121 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -0.442 2.381 11.822 1.00 0.00 H new ATOM 0 HE2 LYS A 56 1.803 3.854 11.967 1.00 0.00 H new ATOM 0 HE3 LYS A 56 1.141 4.557 10.504 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -0.339 5.688 11.671 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -0.856 4.314 12.526 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 0.480 5.206 13.078 1.00 0.00 H new ATOM 780 N TRP A 57 1.189 -0.257 6.570 1.00 0.00 N ATOM 781 CA TRP A 57 1.829 -1.226 5.690 1.00 0.00 C ATOM 782 C TRP A 57 3.163 -0.748 5.182 1.00 0.00 C ATOM 783 O TRP A 57 3.242 0.097 4.293 1.00 0.00 O ATOM 784 CB TRP A 57 0.933 -1.627 4.531 1.00 0.00 C ATOM 785 CG TRP A 57 0.053 -2.740 4.948 1.00 0.00 C ATOM 786 CD1 TRP A 57 0.310 -4.069 4.834 1.00 0.00 C ATOM 787 CD2 TRP A 57 -1.197 -2.617 5.597 1.00 0.00 C ATOM 788 NE1 TRP A 57 -0.729 -4.792 5.364 1.00 0.00 N ATOM 789 CE2 TRP A 57 -1.671 -3.916 5.840 1.00 0.00 C ATOM 790 CE3 TRP A 57 -1.969 -1.529 5.986 1.00 0.00 C ATOM 791 CZ2 TRP A 57 -2.885 -4.148 6.464 1.00 0.00 C ATOM 792 CZ3 TRP A 57 -3.169 -1.765 6.599 1.00 0.00 C ATOM 793 CH2 TRP A 57 -3.615 -3.060 6.834 1.00 0.00 C ATOM 0 H TRP A 57 0.992 0.646 6.139 1.00 0.00 H new ATOM 0 HA TRP A 57 2.005 -2.111 6.302 1.00 0.00 H new ATOM 0 HB2 TRP A 57 0.333 -0.776 4.210 1.00 0.00 H new ATOM 0 HB3 TRP A 57 1.539 -1.929 3.677 1.00 0.00 H new ATOM 0 HD1 TRP A 57 1.199 -4.493 4.392 1.00 0.00 H new ATOM 0 HE1 TRP A 57 -0.790 -5.810 5.398 1.00 0.00 H new ATOM 0 HE3 TRP A 57 -1.629 -0.519 5.808 1.00 0.00 H new ATOM 0 HZ2 TRP A 57 -3.239 -5.151 6.650 1.00 0.00 H new ATOM 0 HZ3 TRP A 57 -3.781 -0.930 6.906 1.00 0.00 H new ATOM 0 HH2 TRP A 57 -4.566 -3.207 7.323 1.00 0.00 H new ATOM 804 N HIS A 58 4.219 -1.303 5.747 1.00 0.00 N ATOM 805 CA HIS A 58 5.549 -0.961 5.312 1.00 0.00 C ATOM 806 C HIS A 58 5.781 -1.487 3.893 1.00 0.00 C ATOM 807 O HIS A 58 5.404 -2.603 3.549 1.00 0.00 O ATOM 808 CB HIS A 58 6.617 -1.500 6.272 1.00 0.00 C ATOM 809 CG HIS A 58 7.953 -0.888 6.013 1.00 0.00 C ATOM 810 ND1 HIS A 58 8.862 -1.421 5.131 1.00 0.00 N ATOM 811 CD2 HIS A 58 8.475 0.281 6.428 1.00 0.00 C ATOM 812 CE1 HIS A 58 9.881 -0.589 4.992 1.00 0.00 C ATOM 813 NE2 HIS A 58 9.672 0.450 5.777 1.00 0.00 N ATOM 0 H HIS A 58 4.177 -1.987 6.502 1.00 0.00 H new ATOM 0 HA HIS A 58 5.637 0.125 5.311 1.00 0.00 H new ATOM 0 HB2 HIS A 58 6.317 -1.297 7.300 1.00 0.00 H new ATOM 0 HB3 HIS A 58 6.687 -2.583 6.168 1.00 0.00 H new ATOM 0 HD2 HIS A 58 8.034 0.961 7.142 1.00 0.00 H new ATOM 0 HE1 HIS A 58 10.735 -0.735 4.348 1.00 0.00 H new ATOM 0 HE2 HIS A 58 10.297 1.249 5.883 1.00 0.00 H new ATOM 822 N TYR A 59 6.402 -0.646 3.084 1.00 0.00 N ATOM 823 CA TYR A 59 6.628 -0.892 1.663 1.00 0.00 C ATOM 824 C TYR A 59 7.467 -2.135 1.414 1.00 0.00 C ATOM 825 O TYR A 59 7.357 -2.770 0.371 1.00 0.00 O ATOM 826 CB TYR A 59 7.325 0.324 1.074 1.00 0.00 C ATOM 827 CG TYR A 59 6.387 1.410 0.660 1.00 0.00 C ATOM 828 CD1 TYR A 59 5.279 1.697 1.424 1.00 0.00 C ATOM 829 CD2 TYR A 59 6.589 2.118 -0.502 1.00 0.00 C ATOM 830 CE1 TYR A 59 4.388 2.672 1.053 1.00 0.00 C ATOM 831 CE2 TYR A 59 5.716 3.101 -0.888 1.00 0.00 C ATOM 832 CZ TYR A 59 4.618 3.380 -0.110 1.00 0.00 C ATOM 833 OH TYR A 59 3.759 4.369 -0.499 1.00 0.00 O ATOM 0 H TYR A 59 6.773 0.250 3.401 1.00 0.00 H new ATOM 0 HA TYR A 59 5.663 -1.062 1.186 1.00 0.00 H new ATOM 0 HB2 TYR A 59 8.026 0.721 1.808 1.00 0.00 H new ATOM 0 HB3 TYR A 59 7.911 0.013 0.209 1.00 0.00 H new ATOM 0 HD1 TYR A 59 5.107 1.143 2.335 1.00 0.00 H new ATOM 0 HD2 TYR A 59 7.447 1.896 -1.119 1.00 0.00 H new ATOM 0 HE1 TYR A 59 3.520 2.882 1.661 1.00 0.00 H new ATOM 0 HE2 TYR A 59 5.890 3.654 -1.799 1.00 0.00 H new ATOM 0 HH TYR A 59 3.907 5.166 0.052 1.00 0.00 H new ATOM 843 N LEU A 60 8.290 -2.477 2.387 1.00 0.00 N ATOM 844 CA LEU A 60 9.116 -3.678 2.326 1.00 0.00 C ATOM 845 C LEU A 60 8.287 -4.895 2.675 1.00 0.00 C ATOM 846 O LEU A 60 8.808 -5.936 3.082 1.00 0.00 O ATOM 847 CB LEU A 60 10.321 -3.565 3.255 1.00 0.00 C ATOM 848 CG LEU A 60 11.644 -3.303 2.551 1.00 0.00 C ATOM 849 CD1 LEU A 60 12.072 -4.507 1.728 1.00 0.00 C ATOM 850 CD2 LEU A 60 11.526 -2.084 1.677 1.00 0.00 C ATOM 0 H LEU A 60 8.408 -1.934 3.243 1.00 0.00 H new ATOM 0 HA LEU A 60 9.490 -3.786 1.308 1.00 0.00 H new ATOM 0 HB2 LEU A 60 10.139 -2.761 3.968 1.00 0.00 H new ATOM 0 HB3 LEU A 60 10.407 -4.487 3.830 1.00 0.00 H new ATOM 0 HG LEU A 60 12.408 -3.126 3.308 1.00 0.00 H new ATOM 0 HD11 LEU A 60 13.020 -4.293 1.236 1.00 0.00 H new ATOM 0 HD12 LEU A 60 12.190 -5.371 2.382 1.00 0.00 H new ATOM 0 HD13 LEU A 60 11.313 -4.722 0.976 1.00 0.00 H new ATOM 0 HD21 LEU A 60 12.477 -1.902 1.176 1.00 0.00 H new ATOM 0 HD22 LEU A 60 10.748 -2.245 0.931 1.00 0.00 H new ATOM 0 HD23 LEU A 60 11.268 -1.220 2.290 1.00 0.00 H new ATOM 862 N CYS A 61 6.989 -4.736 2.585 1.00 0.00 N ATOM 863 CA CYS A 61 6.089 -5.812 2.875 1.00 0.00 C ATOM 864 C CYS A 61 5.078 -5.986 1.748 1.00 0.00 C ATOM 865 O CYS A 61 4.577 -7.089 1.533 1.00 0.00 O ATOM 866 CB CYS A 61 5.381 -5.553 4.199 1.00 0.00 C ATOM 867 SG CYS A 61 4.639 -7.021 4.929 1.00 0.00 S ATOM 0 H CYS A 61 6.536 -3.864 2.311 1.00 0.00 H new ATOM 0 HA CYS A 61 6.661 -6.736 2.959 1.00 0.00 H new ATOM 0 HB2 CYS A 61 6.095 -5.130 4.905 1.00 0.00 H new ATOM 0 HB3 CYS A 61 4.604 -4.804 4.044 1.00 0.00 H new ATOM 0 HG CYS A 61 4.250 -6.754 6.140 1.00 0.00 H new ATOM 873 N LEU A 62 4.795 -4.896 1.034 1.00 0.00 N ATOM 874 CA LEU A 62 3.853 -4.907 -0.080 1.00 0.00 C ATOM 875 C LEU A 62 4.344 -5.781 -1.233 1.00 0.00 C ATOM 876 O LEU A 62 4.909 -5.268 -2.187 1.00 0.00 O ATOM 877 CB LEU A 62 3.670 -3.494 -0.642 1.00 0.00 C ATOM 878 CG LEU A 62 2.864 -2.468 0.173 1.00 0.00 C ATOM 879 CD1 LEU A 62 1.802 -1.842 -0.705 1.00 0.00 C ATOM 880 CD2 LEU A 62 2.208 -3.065 1.401 1.00 0.00 C ATOM 0 H LEU A 62 5.213 -3.983 1.213 1.00 0.00 H new ATOM 0 HA LEU A 62 2.917 -5.302 0.315 1.00 0.00 H new ATOM 0 HB2 LEU A 62 4.662 -3.075 -0.810 1.00 0.00 H new ATOM 0 HB3 LEU A 62 3.194 -3.587 -1.618 1.00 0.00 H new ATOM 0 HG LEU A 62 3.573 -1.716 0.520 1.00 0.00 H new ATOM 0 HD11 LEU A 62 1.232 -1.116 -0.125 1.00 0.00 H new ATOM 0 HD12 LEU A 62 2.276 -1.341 -1.549 1.00 0.00 H new ATOM 0 HD13 LEU A 62 1.131 -2.618 -1.074 1.00 0.00 H new ATOM 0 HD21 LEU A 62 1.655 -2.290 1.932 1.00 0.00 H new ATOM 0 HD22 LEU A 62 1.523 -3.857 1.099 1.00 0.00 H new ATOM 0 HD23 LEU A 62 2.973 -3.479 2.058 1.00 0.00 H new ATOM 892 N ARG A 63 4.119 -7.084 -1.157 1.00 0.00 N ATOM 893 CA ARG A 63 4.444 -7.976 -2.260 1.00 0.00 C ATOM 894 C ARG A 63 3.719 -7.528 -3.517 1.00 0.00 C ATOM 895 O ARG A 63 4.351 -7.193 -4.512 1.00 0.00 O ATOM 896 CB ARG A 63 4.051 -9.425 -1.978 1.00 0.00 C ATOM 897 CG ARG A 63 4.859 -10.136 -0.908 1.00 0.00 C ATOM 898 CD ARG A 63 4.614 -11.631 -1.018 1.00 0.00 C ATOM 899 NE ARG A 63 5.038 -12.389 0.154 1.00 0.00 N ATOM 900 CZ ARG A 63 4.368 -13.445 0.615 1.00 0.00 C ATOM 901 NH1 ARG A 63 3.214 -13.797 0.052 1.00 0.00 N ATOM 902 NH2 ARG A 63 4.844 -14.137 1.637 1.00 0.00 N ATOM 0 H ARG A 63 3.713 -7.547 -0.344 1.00 0.00 H new ATOM 0 HA ARG A 63 5.525 -7.930 -2.390 1.00 0.00 H new ATOM 0 HB2 ARG A 63 3.001 -9.446 -1.687 1.00 0.00 H new ATOM 0 HB3 ARG A 63 4.136 -9.991 -2.906 1.00 0.00 H new ATOM 0 HG2 ARG A 63 5.920 -9.918 -1.030 1.00 0.00 H new ATOM 0 HG3 ARG A 63 4.572 -9.779 0.081 1.00 0.00 H new ATOM 0 HD2 ARG A 63 3.551 -11.803 -1.184 1.00 0.00 H new ATOM 0 HD3 ARG A 63 5.139 -12.012 -1.894 1.00 0.00 H new ATOM 0 HE ARG A 63 5.885 -12.098 0.642 1.00 0.00 H new ATOM 0 HH11 ARG A 63 2.844 -13.259 -0.731 1.00 0.00 H new ATOM 0 HH12 ARG A 63 2.700 -14.605 0.404 1.00 0.00 H new ATOM 0 HH21 ARG A 63 5.724 -13.863 2.073 1.00 0.00 H new ATOM 0 HH22 ARG A 63 4.331 -14.945 1.989 1.00 0.00 H new ATOM 916 N ARG A 64 2.386 -7.507 -3.466 1.00 0.00 N ATOM 917 CA ARG A 64 1.615 -7.153 -4.653 1.00 0.00 C ATOM 918 C ARG A 64 0.500 -6.164 -4.354 1.00 0.00 C ATOM 919 O ARG A 64 -0.421 -6.456 -3.621 1.00 0.00 O ATOM 920 CB ARG A 64 1.073 -8.412 -5.336 1.00 0.00 C ATOM 921 CG ARG A 64 0.020 -9.219 -4.620 1.00 0.00 C ATOM 922 CD ARG A 64 -0.310 -10.431 -5.473 1.00 0.00 C ATOM 923 NE ARG A 64 -0.451 -11.657 -4.695 1.00 0.00 N ATOM 924 CZ ARG A 64 -0.162 -12.867 -5.163 1.00 0.00 C ATOM 925 NH1 ARG A 64 0.280 -13.016 -6.406 1.00 0.00 N ATOM 926 NH2 ARG A 64 -0.306 -13.924 -4.385 1.00 0.00 N ATOM 0 H ARG A 64 1.832 -7.725 -2.638 1.00 0.00 H new ATOM 0 HA ARG A 64 2.295 -6.649 -5.340 1.00 0.00 H new ATOM 0 HB2 ARG A 64 0.664 -8.116 -6.302 1.00 0.00 H new ATOM 0 HB3 ARG A 64 1.918 -9.071 -5.536 1.00 0.00 H new ATOM 0 HG2 ARG A 64 0.381 -9.531 -3.640 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -0.873 -8.617 -4.454 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -1.236 -10.244 -6.016 1.00 0.00 H new ATOM 0 HD3 ARG A 64 0.474 -10.568 -6.217 1.00 0.00 H new ATOM 0 HE ARG A 64 -0.791 -11.581 -3.736 1.00 0.00 H new ATOM 0 HH11 ARG A 64 0.399 -12.200 -7.006 1.00 0.00 H new ATOM 0 HH12 ARG A 64 0.501 -13.947 -6.761 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -0.638 -13.811 -3.427 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -0.085 -14.854 -4.742 1.00 0.00 H new ATOM 940 N TYR A 65 0.564 -5.014 -4.997 1.00 0.00 N ATOM 941 CA TYR A 65 -0.330 -3.906 -4.698 1.00 0.00 C ATOM 942 C TYR A 65 -0.987 -3.400 -5.958 1.00 0.00 C ATOM 943 O TYR A 65 -0.360 -3.351 -7.007 1.00 0.00 O ATOM 944 CB TYR A 65 0.427 -2.788 -3.983 1.00 0.00 C ATOM 945 CG TYR A 65 1.718 -2.376 -4.653 1.00 0.00 C ATOM 946 CD1 TYR A 65 2.827 -3.210 -4.641 1.00 0.00 C ATOM 947 CD2 TYR A 65 1.837 -1.148 -5.278 1.00 0.00 C ATOM 948 CE1 TYR A 65 4.004 -2.830 -5.242 1.00 0.00 C ATOM 949 CE2 TYR A 65 3.003 -0.762 -5.869 1.00 0.00 C ATOM 950 CZ TYR A 65 4.089 -1.602 -5.856 1.00 0.00 C ATOM 951 OH TYR A 65 5.265 -1.212 -6.459 1.00 0.00 O ATOM 0 H TYR A 65 1.235 -4.819 -5.740 1.00 0.00 H new ATOM 0 HA TYR A 65 -1.115 -4.262 -4.031 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -0.223 -1.916 -3.909 1.00 0.00 H new ATOM 0 HB3 TYR A 65 0.647 -3.109 -2.965 1.00 0.00 H new ATOM 0 HD1 TYR A 65 2.765 -4.171 -4.153 1.00 0.00 H new ATOM 0 HD2 TYR A 65 0.988 -0.481 -5.298 1.00 0.00 H new ATOM 0 HE1 TYR A 65 4.857 -3.492 -5.232 1.00 0.00 H new ATOM 0 HE2 TYR A 65 3.073 0.204 -6.347 1.00 0.00 H new ATOM 0 HH TYR A 65 5.877 -0.855 -5.782 1.00 0.00 H new ATOM 961 N GLY A 66 -2.253 -3.034 -5.857 1.00 0.00 N ATOM 962 CA GLY A 66 -3.027 -2.817 -7.050 1.00 0.00 C ATOM 963 C GLY A 66 -4.092 -1.771 -6.936 1.00 0.00 C ATOM 964 O GLY A 66 -4.175 -1.022 -5.964 1.00 0.00 O ATOM 0 H GLY A 66 -2.751 -2.885 -4.979 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -2.350 -2.537 -7.857 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -3.494 -3.759 -7.337 1.00 0.00 H new ATOM 968 N TYR A 67 -4.951 -1.818 -7.927 1.00 0.00 N ATOM 969 CA TYR A 67 -5.990 -0.835 -8.155 1.00 0.00 C ATOM 970 C TYR A 67 -7.001 -1.414 -9.138 1.00 0.00 C ATOM 971 O TYR A 67 -6.616 -1.904 -10.202 1.00 0.00 O ATOM 972 CB TYR A 67 -5.375 0.440 -8.745 1.00 0.00 C ATOM 973 CG TYR A 67 -6.277 1.156 -9.730 1.00 0.00 C ATOM 974 CD1 TYR A 67 -7.528 1.600 -9.340 1.00 0.00 C ATOM 975 CD2 TYR A 67 -5.877 1.396 -11.039 1.00 0.00 C ATOM 976 CE1 TYR A 67 -8.361 2.257 -10.212 1.00 0.00 C ATOM 977 CE2 TYR A 67 -6.707 2.055 -11.927 1.00 0.00 C ATOM 978 CZ TYR A 67 -7.950 2.485 -11.507 1.00 0.00 C ATOM 979 OH TYR A 67 -8.786 3.146 -12.382 1.00 0.00 O ATOM 0 H TYR A 67 -4.948 -2.565 -8.621 1.00 0.00 H new ATOM 0 HA TYR A 67 -6.481 -0.590 -7.213 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -5.127 1.122 -7.932 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -4.440 0.184 -9.243 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -7.857 1.426 -8.326 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -4.904 1.063 -11.368 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -9.334 2.593 -9.884 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -6.385 2.232 -12.943 1.00 0.00 H new ATOM 0 HH TYR A 67 -9.059 4.002 -11.990 1.00 0.00 H new ATOM 989 N ASP A 68 -8.273 -1.402 -8.781 1.00 0.00 N ATOM 990 CA ASP A 68 -9.309 -1.698 -9.746 1.00 0.00 C ATOM 991 C ASP A 68 -10.630 -1.079 -9.355 1.00 0.00 C ATOM 992 O ASP A 68 -11.185 -1.455 -8.345 1.00 0.00 O ATOM 993 CB ASP A 68 -9.498 -3.181 -9.911 1.00 0.00 C ATOM 994 CG ASP A 68 -10.382 -3.477 -11.122 1.00 0.00 C ATOM 995 OD1 ASP A 68 -9.831 -3.530 -12.245 1.00 0.00 O ATOM 996 OD2 ASP A 68 -11.616 -3.627 -10.979 1.00 0.00 O ATOM 0 H ASP A 68 -8.608 -1.193 -7.841 1.00 0.00 H new ATOM 0 HA ASP A 68 -8.980 -1.268 -10.692 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -8.529 -3.665 -10.033 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -9.952 -3.598 -9.012 1.00 0.00 H new ATOM 1001 N SER A 69 -11.119 -0.128 -10.148 1.00 0.00 N ATOM 1002 CA SER A 69 -12.436 0.466 -9.931 1.00 0.00 C ATOM 1003 C SER A 69 -12.680 0.750 -8.448 1.00 0.00 C ATOM 1004 O SER A 69 -13.406 0.008 -7.780 1.00 0.00 O ATOM 1005 CB SER A 69 -13.519 -0.466 -10.487 1.00 0.00 C ATOM 1006 OG SER A 69 -14.816 0.092 -10.340 1.00 0.00 O ATOM 0 H SER A 69 -10.618 0.250 -10.952 1.00 0.00 H new ATOM 0 HA SER A 69 -12.477 1.419 -10.458 1.00 0.00 H new ATOM 0 HB2 SER A 69 -13.324 -0.662 -11.541 1.00 0.00 H new ATOM 0 HB3 SER A 69 -13.474 -1.425 -9.971 1.00 0.00 H new ATOM 0 HG SER A 69 -15.482 -0.527 -10.706 1.00 0.00 H new ATOM 1012 N ASN A 70 -12.053 1.818 -7.946 1.00 0.00 N ATOM 1013 CA ASN A 70 -12.084 2.185 -6.521 1.00 0.00 C ATOM 1014 C ASN A 70 -11.768 1.006 -5.585 1.00 0.00 C ATOM 1015 O ASN A 70 -12.280 0.935 -4.479 1.00 0.00 O ATOM 1016 CB ASN A 70 -13.398 2.866 -6.102 1.00 0.00 C ATOM 1017 CG ASN A 70 -14.665 2.068 -6.353 1.00 0.00 C ATOM 1018 OD1 ASN A 70 -15.097 1.269 -5.520 1.00 0.00 O ATOM 1019 ND2 ASN A 70 -15.284 2.310 -7.493 1.00 0.00 N ATOM 0 H ASN A 70 -11.504 2.459 -8.519 1.00 0.00 H new ATOM 0 HA ASN A 70 -11.283 2.916 -6.410 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -13.342 3.098 -5.038 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -13.478 3.815 -6.632 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -16.155 1.827 -7.713 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -14.891 2.980 -8.155 1.00 0.00 H new ATOM 1026 N LEU A 71 -10.914 0.092 -6.028 1.00 0.00 N ATOM 1027 CA LEU A 71 -10.386 -0.967 -5.163 1.00 0.00 C ATOM 1028 C LEU A 71 -8.841 -0.890 -5.184 1.00 0.00 C ATOM 1029 O LEU A 71 -8.239 -1.154 -6.213 1.00 0.00 O ATOM 1030 CB LEU A 71 -10.835 -2.354 -5.704 1.00 0.00 C ATOM 1031 CG LEU A 71 -11.706 -3.257 -4.798 1.00 0.00 C ATOM 1032 CD1 LEU A 71 -11.397 -4.747 -4.948 1.00 0.00 C ATOM 1033 CD2 LEU A 71 -11.582 -2.881 -3.346 1.00 0.00 C ATOM 0 H LEU A 71 -10.568 0.059 -6.987 1.00 0.00 H new ATOM 0 HA LEU A 71 -10.759 -0.839 -4.147 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -11.385 -2.186 -6.630 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -9.937 -2.914 -5.964 1.00 0.00 H new ATOM 0 HG LEU A 71 -12.728 -3.087 -5.137 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -12.044 -5.321 -4.284 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -11.572 -5.053 -5.979 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -10.355 -4.930 -4.687 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -12.209 -3.539 -2.745 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -10.543 -2.982 -3.031 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -11.904 -1.849 -3.209 1.00 0.00 H new ATOM 1045 N PHE A 72 -8.192 -0.525 -4.076 1.00 0.00 N ATOM 1046 CA PHE A 72 -6.719 -0.552 -4.011 1.00 0.00 C ATOM 1047 C PHE A 72 -6.295 -1.700 -3.117 1.00 0.00 C ATOM 1048 O PHE A 72 -6.905 -1.943 -2.082 1.00 0.00 O ATOM 1049 CB PHE A 72 -6.105 0.791 -3.528 1.00 0.00 C ATOM 1050 CG PHE A 72 -5.046 0.691 -2.457 1.00 0.00 C ATOM 1051 CD1 PHE A 72 -5.405 0.656 -1.128 1.00 0.00 C ATOM 1052 CD2 PHE A 72 -3.690 0.664 -2.767 1.00 0.00 C ATOM 1053 CE1 PHE A 72 -4.450 0.598 -0.150 1.00 0.00 C ATOM 1054 CE2 PHE A 72 -2.746 0.611 -1.787 1.00 0.00 C ATOM 1055 CZ PHE A 72 -3.124 0.581 -0.491 1.00 0.00 C ATOM 0 H PHE A 72 -8.650 -0.211 -3.220 1.00 0.00 H new ATOM 0 HA PHE A 72 -6.337 -0.700 -5.021 1.00 0.00 H new ATOM 0 HB2 PHE A 72 -5.674 1.301 -4.390 1.00 0.00 H new ATOM 0 HB3 PHE A 72 -6.911 1.422 -3.155 1.00 0.00 H new ATOM 0 HD1 PHE A 72 -6.450 0.675 -0.855 1.00 0.00 H new ATOM 0 HD2 PHE A 72 -3.381 0.685 -3.802 1.00 0.00 H new ATOM 0 HE1 PHE A 72 -4.742 0.566 0.889 1.00 0.00 H new ATOM 0 HE2 PHE A 72 -1.698 0.593 -2.046 1.00 0.00 H new ATOM 0 HZ PHE A 72 -2.373 0.543 0.284 1.00 0.00 H new ATOM 1065 N SER A 73 -5.273 -2.415 -3.518 1.00 0.00 N ATOM 1066 CA SER A 73 -4.873 -3.598 -2.790 1.00 0.00 C ATOM 1067 C SER A 73 -3.367 -3.646 -2.577 1.00 0.00 C ATOM 1068 O SER A 73 -2.626 -2.885 -3.190 1.00 0.00 O ATOM 1069 CB SER A 73 -5.337 -4.828 -3.552 1.00 0.00 C ATOM 1070 OG SER A 73 -4.897 -6.025 -2.941 1.00 0.00 O ATOM 0 H SER A 73 -4.705 -2.202 -4.338 1.00 0.00 H new ATOM 0 HA SER A 73 -5.337 -3.572 -1.804 1.00 0.00 H new ATOM 0 HB2 SER A 73 -6.425 -4.829 -3.611 1.00 0.00 H new ATOM 0 HB3 SER A 73 -4.963 -4.784 -4.575 1.00 0.00 H new ATOM 0 HG SER A 73 -5.252 -6.076 -2.029 1.00 0.00 H new ATOM 1076 N PHE A 74 -2.941 -4.527 -1.680 1.00 0.00 N ATOM 1077 CA PHE A 74 -1.538 -4.867 -1.507 1.00 0.00 C ATOM 1078 C PHE A 74 -1.413 -6.206 -0.767 1.00 0.00 C ATOM 1079 O PHE A 74 -2.216 -6.517 0.114 1.00 0.00 O ATOM 1080 CB PHE A 74 -0.772 -3.754 -0.790 1.00 0.00 C ATOM 1081 CG PHE A 74 -1.409 -3.224 0.454 1.00 0.00 C ATOM 1082 CD1 PHE A 74 -1.697 -4.067 1.509 1.00 0.00 C ATOM 1083 CD2 PHE A 74 -1.697 -1.872 0.578 1.00 0.00 C ATOM 1084 CE1 PHE A 74 -2.262 -3.584 2.658 1.00 0.00 C ATOM 1085 CE2 PHE A 74 -2.256 -1.388 1.739 1.00 0.00 C ATOM 1086 CZ PHE A 74 -2.539 -2.242 2.774 1.00 0.00 C ATOM 0 H PHE A 74 -3.566 -5.028 -1.048 1.00 0.00 H new ATOM 0 HA PHE A 74 -1.085 -4.973 -2.493 1.00 0.00 H new ATOM 0 HB2 PHE A 74 0.221 -4.126 -0.537 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -0.634 -2.927 -1.486 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -1.474 -5.120 1.426 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -1.482 -1.198 -0.238 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -2.490 -4.256 3.472 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -2.472 -0.334 1.835 1.00 0.00 H new ATOM 0 HZ PHE A 74 -2.981 -1.860 3.682 1.00 0.00 H new ATOM 1096 N GLU A 75 -0.454 -7.025 -1.178 1.00 0.00 N ATOM 1097 CA GLU A 75 -0.158 -8.265 -0.486 1.00 0.00 C ATOM 1098 C GLU A 75 0.962 -8.040 0.485 1.00 0.00 C ATOM 1099 O GLU A 75 2.095 -7.873 0.065 1.00 0.00 O ATOM 1100 CB GLU A 75 0.265 -9.375 -1.432 1.00 0.00 C ATOM 1101 CG GLU A 75 0.552 -10.689 -0.713 1.00 0.00 C ATOM 1102 CD GLU A 75 0.753 -11.854 -1.655 1.00 0.00 C ATOM 1103 OE1 GLU A 75 1.880 -12.039 -2.150 1.00 0.00 O ATOM 1104 OE2 GLU A 75 -0.216 -12.601 -1.893 1.00 0.00 O ATOM 0 H GLU A 75 0.134 -6.848 -1.993 1.00 0.00 H new ATOM 0 HA GLU A 75 -1.075 -8.571 0.019 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -0.520 -9.535 -2.171 1.00 0.00 H new ATOM 0 HB3 GLU A 75 1.156 -9.062 -1.976 1.00 0.00 H new ATOM 0 HG2 GLU A 75 1.443 -10.571 -0.097 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -0.274 -10.914 -0.039 1.00 0.00 H new ATOM 1111 N SER A 76 0.682 -8.029 1.759 1.00 0.00 N ATOM 1112 CA SER A 76 1.744 -7.856 2.711 1.00 0.00 C ATOM 1113 C SER A 76 2.326 -9.228 3.069 1.00 0.00 C ATOM 1114 O SER A 76 1.604 -10.154 3.445 1.00 0.00 O ATOM 1115 CB SER A 76 1.218 -7.078 3.917 1.00 0.00 C ATOM 1116 OG SER A 76 0.183 -7.779 4.585 1.00 0.00 O ATOM 0 H SER A 76 -0.251 -8.135 2.156 1.00 0.00 H new ATOM 0 HA SER A 76 2.561 -7.268 2.293 1.00 0.00 H new ATOM 0 HB2 SER A 76 2.036 -6.888 4.612 1.00 0.00 H new ATOM 0 HB3 SER A 76 0.847 -6.107 3.589 1.00 0.00 H new ATOM 0 HG SER A 76 0.372 -7.803 5.546 1.00 0.00 H new ATOM 1122 N GLY A 77 3.640 -9.358 2.897 1.00 0.00 N ATOM 1123 CA GLY A 77 4.296 -10.647 3.046 1.00 0.00 C ATOM 1124 C GLY A 77 4.538 -11.017 4.490 1.00 0.00 C ATOM 1125 O GLY A 77 4.320 -12.157 4.894 1.00 0.00 O ATOM 0 H GLY A 77 4.265 -8.589 2.656 1.00 0.00 H new ATOM 0 HA2 GLY A 77 3.685 -11.417 2.576 1.00 0.00 H new ATOM 0 HA3 GLY A 77 5.248 -10.628 2.516 1.00 0.00 H new ATOM 1129 N ARG A 78 5.011 -10.056 5.261 1.00 0.00 N ATOM 1130 CA ARG A 78 5.144 -10.234 6.694 1.00 0.00 C ATOM 1131 C ARG A 78 3.822 -9.894 7.340 1.00 0.00 C ATOM 1132 O ARG A 78 3.055 -9.102 6.792 1.00 0.00 O ATOM 1133 CB ARG A 78 6.255 -9.346 7.262 1.00 0.00 C ATOM 1134 CG ARG A 78 7.638 -9.952 7.142 1.00 0.00 C ATOM 1135 CD ARG A 78 8.719 -8.984 7.594 1.00 0.00 C ATOM 1136 NE ARG A 78 9.006 -7.960 6.586 1.00 0.00 N ATOM 1137 CZ ARG A 78 10.238 -7.671 6.162 1.00 0.00 C ATOM 1138 NH1 ARG A 78 11.281 -8.317 6.664 1.00 0.00 N ATOM 1139 NH2 ARG A 78 10.429 -6.740 5.235 1.00 0.00 N ATOM 0 H ARG A 78 5.310 -9.143 4.918 1.00 0.00 H new ATOM 0 HA ARG A 78 5.414 -11.269 6.905 1.00 0.00 H new ATOM 0 HB2 ARG A 78 6.242 -8.387 6.745 1.00 0.00 H new ATOM 0 HB3 ARG A 78 6.046 -9.144 8.313 1.00 0.00 H new ATOM 0 HG2 ARG A 78 7.690 -10.861 7.742 1.00 0.00 H new ATOM 0 HG3 ARG A 78 7.819 -10.242 6.107 1.00 0.00 H new ATOM 0 HD2 ARG A 78 8.407 -8.501 8.520 1.00 0.00 H new ATOM 0 HD3 ARG A 78 9.631 -9.539 7.815 1.00 0.00 H new ATOM 0 HE ARG A 78 8.223 -7.441 6.188 1.00 0.00 H new ATOM 0 HH11 ARG A 78 11.142 -9.035 7.375 1.00 0.00 H new ATOM 0 HH12 ARG A 78 12.222 -8.096 6.340 1.00 0.00 H new ATOM 0 HH21 ARG A 78 9.631 -6.240 4.842 1.00 0.00 H new ATOM 0 HH22 ARG A 78 11.373 -6.524 4.916 1.00 0.00 H new ATOM 1153 N ARG A 79 3.541 -10.499 8.480 1.00 0.00 N ATOM 1154 CA ARG A 79 2.289 -10.242 9.160 1.00 0.00 C ATOM 1155 C ARG A 79 2.149 -8.781 9.534 1.00 0.00 C ATOM 1156 O ARG A 79 3.137 -8.061 9.702 1.00 0.00 O ATOM 1157 CB ARG A 79 2.137 -11.098 10.389 1.00 0.00 C ATOM 1158 CG ARG A 79 3.310 -11.000 11.306 1.00 0.00 C ATOM 1159 CD ARG A 79 3.140 -11.942 12.474 1.00 0.00 C ATOM 1160 NE ARG A 79 1.989 -11.567 13.289 1.00 0.00 N ATOM 1161 CZ ARG A 79 0.904 -12.323 13.446 1.00 0.00 C ATOM 1162 NH1 ARG A 79 0.855 -13.549 12.935 1.00 0.00 N ATOM 1163 NH2 ARG A 79 -0.128 -11.853 14.128 1.00 0.00 N ATOM 0 H ARG A 79 4.156 -11.164 8.949 1.00 0.00 H new ATOM 0 HA ARG A 79 1.496 -10.500 8.459 1.00 0.00 H new ATOM 0 HB2 ARG A 79 1.236 -10.801 10.925 1.00 0.00 H new ATOM 0 HB3 ARG A 79 2.001 -12.137 10.089 1.00 0.00 H new ATOM 0 HG2 ARG A 79 4.225 -11.242 10.765 1.00 0.00 H new ATOM 0 HG3 ARG A 79 3.414 -9.977 11.667 1.00 0.00 H new ATOM 0 HD2 ARG A 79 3.014 -12.961 12.108 1.00 0.00 H new ATOM 0 HD3 ARG A 79 4.042 -11.933 13.087 1.00 0.00 H new ATOM 0 HE ARG A 79 2.017 -10.668 13.769 1.00 0.00 H new ATOM 0 HH11 ARG A 79 1.653 -13.918 12.418 1.00 0.00 H new ATOM 0 HH12 ARG A 79 0.020 -14.121 13.060 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -0.090 -10.916 14.530 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -0.962 -12.427 14.252 1.00 0.00 H new ATOM 1177 N CYS A 80 0.918 -8.367 9.679 1.00 0.00 N ATOM 1178 CA CYS A 80 0.597 -6.985 9.953 1.00 0.00 C ATOM 1179 C CYS A 80 -0.511 -6.920 10.992 1.00 0.00 C ATOM 1180 O CYS A 80 -0.975 -7.956 11.473 1.00 0.00 O ATOM 1181 CB CYS A 80 0.145 -6.293 8.666 1.00 0.00 C ATOM 1182 SG CYS A 80 0.040 -4.492 8.770 1.00 0.00 S ATOM 0 H CYS A 80 0.104 -8.978 9.611 1.00 0.00 H new ATOM 0 HA CYS A 80 1.482 -6.476 10.336 1.00 0.00 H new ATOM 0 HB2 CYS A 80 0.837 -6.557 7.866 1.00 0.00 H new ATOM 0 HB3 CYS A 80 -0.833 -6.684 8.384 1.00 0.00 H new ATOM 0 HG CYS A 80 -0.570 -4.031 7.719 1.00 0.00 H new ATOM 1188 N GLN A 81 -0.911 -5.708 11.335 1.00 0.00 N ATOM 1189 CA GLN A 81 -2.078 -5.463 12.168 1.00 0.00 C ATOM 1190 C GLN A 81 -3.267 -6.267 11.671 1.00 0.00 C ATOM 1191 O GLN A 81 -3.751 -7.175 12.343 1.00 0.00 O ATOM 1192 CB GLN A 81 -2.414 -3.988 12.093 1.00 0.00 C ATOM 1193 CG GLN A 81 -3.487 -3.538 13.048 1.00 0.00 C ATOM 1194 CD GLN A 81 -3.002 -3.442 14.474 1.00 0.00 C ATOM 1195 OE1 GLN A 81 -2.138 -4.200 14.906 1.00 0.00 O ATOM 1196 NE2 GLN A 81 -3.545 -2.492 15.206 1.00 0.00 N ATOM 0 H GLN A 81 -0.431 -4.857 11.041 1.00 0.00 H new ATOM 0 HA GLN A 81 -1.859 -5.761 13.193 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -1.509 -3.413 12.288 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -2.729 -3.752 11.077 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -3.863 -2.565 12.731 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -4.324 -4.235 13.000 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -4.260 -1.885 14.805 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -3.251 -2.363 16.174 1.00 0.00 H new ATOM 1205 N THR A 82 -3.697 -5.945 10.465 1.00 0.00 N ATOM 1206 CA THR A 82 -4.867 -6.562 9.885 1.00 0.00 C ATOM 1207 C THR A 82 -4.576 -7.001 8.447 1.00 0.00 C ATOM 1208 O THR A 82 -5.483 -7.229 7.645 1.00 0.00 O ATOM 1209 CB THR A 82 -6.080 -5.597 9.961 1.00 0.00 C ATOM 1210 OG1 THR A 82 -7.224 -6.134 9.280 1.00 0.00 O ATOM 1211 CG2 THR A 82 -5.728 -4.235 9.387 1.00 0.00 C ATOM 0 H THR A 82 -3.246 -5.253 9.867 1.00 0.00 H new ATOM 0 HA THR A 82 -5.123 -7.454 10.457 1.00 0.00 H new ATOM 0 HB THR A 82 -6.333 -5.481 11.015 1.00 0.00 H new ATOM 0 HG1 THR A 82 -6.947 -6.503 8.416 1.00 0.00 H new ATOM 0 HG21 THR A 82 -6.595 -3.578 9.452 1.00 0.00 H new ATOM 0 HG22 THR A 82 -4.902 -3.804 9.953 1.00 0.00 H new ATOM 0 HG23 THR A 82 -5.434 -4.345 8.343 1.00 0.00 H new ATOM 1219 N GLY A 83 -3.290 -7.143 8.142 1.00 0.00 N ATOM 1220 CA GLY A 83 -2.871 -7.549 6.815 1.00 0.00 C ATOM 1221 C GLY A 83 -1.942 -8.742 6.857 1.00 0.00 C ATOM 1222 O GLY A 83 -0.742 -8.601 7.076 1.00 0.00 O ATOM 0 H GLY A 83 -2.525 -6.982 8.798 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -3.748 -7.793 6.216 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -2.370 -6.716 6.322 1.00 0.00 H new ATOM 1226 N GLN A 84 -2.498 -9.918 6.671 1.00 0.00 N ATOM 1227 CA GLN A 84 -1.708 -11.140 6.693 1.00 0.00 C ATOM 1228 C GLN A 84 -1.415 -11.639 5.277 1.00 0.00 C ATOM 1229 O GLN A 84 -0.519 -12.457 5.074 1.00 0.00 O ATOM 1230 CB GLN A 84 -2.430 -12.217 7.501 1.00 0.00 C ATOM 1231 CG GLN A 84 -3.817 -12.545 6.974 1.00 0.00 C ATOM 1232 CD GLN A 84 -4.532 -13.584 7.809 1.00 0.00 C ATOM 1233 OE1 GLN A 84 -4.299 -13.573 9.112 1.00 0.00 O flip ATOM 1234 NE2 GLN A 84 -5.310 -14.381 7.288 1.00 0.00 N flip ATOM 0 H GLN A 84 -3.494 -10.060 6.502 1.00 0.00 H new ATOM 0 HA GLN A 84 -0.753 -10.918 7.170 1.00 0.00 H new ATOM 0 HB2 GLN A 84 -1.827 -13.125 7.502 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -2.512 -11.888 8.537 1.00 0.00 H new ATOM 0 HG2 GLN A 84 -4.415 -11.634 6.946 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -3.735 -12.904 5.948 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -5.464 -14.359 6.280 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -5.802 -15.064 7.864 1.00 0.00 H new ATOM 1243 N GLY A 85 -2.163 -11.136 4.304 1.00 0.00 N ATOM 1244 CA GLY A 85 -1.978 -11.546 2.921 1.00 0.00 C ATOM 1245 C GLY A 85 -2.439 -10.472 1.959 1.00 0.00 C ATOM 1246 O GLY A 85 -2.081 -9.305 2.122 1.00 0.00 O ATOM 0 H GLY A 85 -2.901 -10.446 4.447 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -0.926 -11.768 2.744 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -2.533 -12.465 2.735 1.00 0.00 H new ATOM 1250 N ILE A 86 -3.232 -10.849 0.959 1.00 0.00 N ATOM 1251 CA ILE A 86 -3.852 -9.862 0.086 1.00 0.00 C ATOM 1252 C ILE A 86 -4.882 -9.074 0.877 1.00 0.00 C ATOM 1253 O ILE A 86 -5.915 -9.614 1.276 1.00 0.00 O ATOM 1254 CB ILE A 86 -4.570 -10.475 -1.138 1.00 0.00 C ATOM 1255 CG1 ILE A 86 -3.592 -11.167 -2.090 1.00 0.00 C ATOM 1256 CG2 ILE A 86 -5.333 -9.389 -1.875 1.00 0.00 C ATOM 1257 CD1 ILE A 86 -2.512 -10.256 -2.628 1.00 0.00 C ATOM 0 H ILE A 86 -3.457 -11.819 0.737 1.00 0.00 H new ATOM 0 HA ILE A 86 -3.042 -9.234 -0.285 1.00 0.00 H new ATOM 0 HB ILE A 86 -5.262 -11.235 -0.774 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -3.123 -12.002 -1.570 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -4.150 -11.586 -2.927 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -5.839 -9.822 -2.738 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -6.071 -8.945 -1.207 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -4.638 -8.619 -2.210 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -1.859 -10.820 -3.295 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -2.970 -9.434 -3.178 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -1.927 -9.857 -1.800 1.00 0.00 H new ATOM 1269 N PHE A 87 -4.602 -7.815 1.123 1.00 0.00 N ATOM 1270 CA PHE A 87 -5.553 -6.971 1.808 1.00 0.00 C ATOM 1271 C PHE A 87 -5.909 -5.799 0.918 1.00 0.00 C ATOM 1272 O PHE A 87 -5.083 -4.929 0.640 1.00 0.00 O ATOM 1273 CB PHE A 87 -4.985 -6.518 3.157 1.00 0.00 C ATOM 1274 CG PHE A 87 -6.005 -5.995 4.140 1.00 0.00 C ATOM 1275 CD1 PHE A 87 -7.337 -6.385 4.085 1.00 0.00 C ATOM 1276 CD2 PHE A 87 -5.618 -5.114 5.130 1.00 0.00 C ATOM 1277 CE1 PHE A 87 -8.252 -5.898 5.001 1.00 0.00 C ATOM 1278 CE2 PHE A 87 -6.529 -4.626 6.046 1.00 0.00 C ATOM 1279 CZ PHE A 87 -7.843 -5.013 5.984 1.00 0.00 C ATOM 0 H PHE A 87 -3.730 -7.355 0.861 1.00 0.00 H new ATOM 0 HA PHE A 87 -6.466 -7.529 2.017 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -4.461 -7.358 3.613 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -4.244 -5.739 2.978 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -7.661 -7.075 3.320 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -4.586 -4.801 5.189 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -9.285 -6.208 4.949 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -6.206 -3.938 6.813 1.00 0.00 H new ATOM 0 HZ PHE A 87 -8.556 -4.629 6.699 1.00 0.00 H new ATOM 1289 N ALA A 88 -7.136 -5.816 0.436 1.00 0.00 N ATOM 1290 CA ALA A 88 -7.599 -4.817 -0.494 1.00 0.00 C ATOM 1291 C ALA A 88 -8.628 -3.902 0.172 1.00 0.00 C ATOM 1292 O ALA A 88 -9.422 -4.329 1.016 1.00 0.00 O ATOM 1293 CB ALA A 88 -8.173 -5.486 -1.727 1.00 0.00 C ATOM 0 H ALA A 88 -7.833 -6.520 0.679 1.00 0.00 H new ATOM 0 HA ALA A 88 -6.756 -4.198 -0.802 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -8.521 -4.725 -2.425 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -7.403 -6.091 -2.204 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -9.009 -6.124 -1.439 1.00 0.00 H new ATOM 1299 N PHE A 89 -8.598 -2.641 -0.198 1.00 0.00 N ATOM 1300 CA PHE A 89 -9.530 -1.667 0.326 1.00 0.00 C ATOM 1301 C PHE A 89 -10.219 -1.029 -0.842 1.00 0.00 C ATOM 1302 O PHE A 89 -9.614 -0.810 -1.885 1.00 0.00 O ATOM 1303 CB PHE A 89 -8.834 -0.590 1.155 1.00 0.00 C ATOM 1304 CG PHE A 89 -7.758 -1.139 2.005 1.00 0.00 C ATOM 1305 CD1 PHE A 89 -6.523 -1.299 1.463 1.00 0.00 C ATOM 1306 CD2 PHE A 89 -7.976 -1.508 3.317 1.00 0.00 C ATOM 1307 CE1 PHE A 89 -5.498 -1.823 2.194 1.00 0.00 C ATOM 1308 CE2 PHE A 89 -6.953 -2.033 4.070 1.00 0.00 C ATOM 1309 CZ PHE A 89 -5.707 -2.195 3.506 1.00 0.00 C ATOM 0 H PHE A 89 -7.929 -2.262 -0.869 1.00 0.00 H new ATOM 0 HA PHE A 89 -10.236 -2.171 0.986 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -8.417 0.165 0.488 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -9.569 -0.088 1.784 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -6.350 -1.007 0.438 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -8.956 -1.384 3.754 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -4.523 -1.947 1.746 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -7.125 -2.317 5.098 1.00 0.00 H new ATOM 0 HZ PHE A 89 -4.898 -2.611 4.088 1.00 0.00 H new ATOM 1319 N LYS A 90 -11.468 -0.740 -0.684 1.00 0.00 N ATOM 1320 CA LYS A 90 -12.207 -0.095 -1.716 1.00 0.00 C ATOM 1321 C LYS A 90 -11.916 1.394 -1.639 1.00 0.00 C ATOM 1322 O LYS A 90 -12.609 2.154 -0.969 1.00 0.00 O ATOM 1323 CB LYS A 90 -13.670 -0.389 -1.544 1.00 0.00 C ATOM 1324 CG LYS A 90 -14.443 -0.457 -2.827 1.00 0.00 C ATOM 1325 CD LYS A 90 -15.712 -1.260 -2.672 1.00 0.00 C ATOM 1326 CE LYS A 90 -16.498 -0.798 -1.475 1.00 0.00 C ATOM 1327 NZ LYS A 90 -17.722 -1.620 -1.281 1.00 0.00 N ATOM 0 H LYS A 90 -12.003 -0.943 0.160 1.00 0.00 H new ATOM 0 HA LYS A 90 -11.916 -0.462 -2.700 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -13.778 -1.338 -1.018 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -14.110 0.380 -0.909 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -14.689 0.552 -3.158 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -13.822 -0.904 -3.603 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -16.321 -1.163 -3.571 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -15.467 -2.317 -2.565 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -15.874 -0.856 -0.583 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -16.776 0.248 -1.602 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -17.882 -1.770 -0.264 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -18.540 -1.126 -1.691 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -17.601 -2.539 -1.752 1.00 0.00 H new ATOM 1341 N CYS A 91 -10.848 1.777 -2.298 1.00 0.00 N ATOM 1342 CA CYS A 91 -10.335 3.129 -2.230 1.00 0.00 C ATOM 1343 C CYS A 91 -10.741 3.858 -3.499 1.00 0.00 C ATOM 1344 O CYS A 91 -10.342 3.459 -4.582 1.00 0.00 O ATOM 1345 CB CYS A 91 -8.810 3.070 -2.106 1.00 0.00 C ATOM 1346 SG CYS A 91 -8.245 1.622 -1.204 1.00 0.00 S ATOM 0 H CYS A 91 -10.306 1.158 -2.900 1.00 0.00 H new ATOM 0 HA CYS A 91 -10.738 3.659 -1.367 1.00 0.00 H new ATOM 0 HB2 CYS A 91 -8.368 3.068 -3.102 1.00 0.00 H new ATOM 0 HB3 CYS A 91 -8.455 3.969 -1.602 1.00 0.00 H new ATOM 0 HG CYS A 91 -6.982 1.751 -0.923 1.00 0.00 H new ATOM 1352 N ALA A 92 -11.555 4.895 -3.391 1.00 0.00 N ATOM 1353 CA ALA A 92 -12.000 5.606 -4.581 1.00 0.00 C ATOM 1354 C ALA A 92 -10.837 6.292 -5.278 1.00 0.00 C ATOM 1355 O ALA A 92 -10.869 6.520 -6.488 1.00 0.00 O ATOM 1356 CB ALA A 92 -13.099 6.592 -4.266 1.00 0.00 C ATOM 0 H ALA A 92 -11.916 5.259 -2.510 1.00 0.00 H new ATOM 0 HA ALA A 92 -12.413 4.864 -5.264 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -13.403 7.102 -5.180 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -13.953 6.062 -3.844 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -12.735 7.325 -3.546 1.00 0.00 H new ATOM 1362 N ARG A 93 -9.806 6.618 -4.512 1.00 0.00 N ATOM 1363 CA ARG A 93 -8.541 7.020 -5.099 1.00 0.00 C ATOM 1364 C ARG A 93 -7.620 5.820 -5.188 1.00 0.00 C ATOM 1365 O ARG A 93 -6.445 5.957 -4.963 1.00 0.00 O ATOM 1366 CB ARG A 93 -7.822 8.116 -4.292 1.00 0.00 C ATOM 1367 CG ARG A 93 -8.157 9.545 -4.682 1.00 0.00 C ATOM 1368 CD ARG A 93 -9.641 9.846 -4.588 1.00 0.00 C ATOM 1369 NE ARG A 93 -9.904 11.283 -4.676 1.00 0.00 N ATOM 1370 CZ ARG A 93 -10.221 12.044 -3.628 1.00 0.00 C ATOM 1371 NH1 ARG A 93 -10.342 11.504 -2.423 1.00 0.00 N ATOM 1372 NH2 ARG A 93 -10.414 13.348 -3.786 1.00 0.00 N ATOM 0 H ARG A 93 -9.822 6.612 -3.492 1.00 0.00 H new ATOM 0 HA ARG A 93 -8.771 7.424 -6.085 1.00 0.00 H new ATOM 0 HB2 ARG A 93 -8.061 7.981 -3.237 1.00 0.00 H new ATOM 0 HB3 ARG A 93 -6.747 7.973 -4.396 1.00 0.00 H new ATOM 0 HG2 ARG A 93 -7.610 10.231 -4.036 1.00 0.00 H new ATOM 0 HG3 ARG A 93 -7.817 9.728 -5.701 1.00 0.00 H new ATOM 0 HD2 ARG A 93 -10.170 9.329 -5.389 1.00 0.00 H new ATOM 0 HD3 ARG A 93 -10.033 9.460 -3.647 1.00 0.00 H new ATOM 0 HE ARG A 93 -9.841 11.728 -5.592 1.00 0.00 H new ATOM 0 HH11 ARG A 93 -10.192 10.503 -2.295 1.00 0.00 H new ATOM 0 HH12 ARG A 93 -10.585 12.089 -1.624 1.00 0.00 H new ATOM 0 HH21 ARG A 93 -10.320 13.769 -4.710 1.00 0.00 H new ATOM 0 HH22 ARG A 93 -10.656 13.929 -2.983 1.00 0.00 H new ATOM 1386 N ALA A 94 -8.159 4.642 -5.476 1.00 0.00 N ATOM 1387 CA ALA A 94 -7.339 3.434 -5.607 1.00 0.00 C ATOM 1388 C ALA A 94 -6.235 3.662 -6.600 1.00 0.00 C ATOM 1389 O ALA A 94 -5.071 3.491 -6.303 1.00 0.00 O ATOM 1390 CB ALA A 94 -8.164 2.276 -6.115 1.00 0.00 C ATOM 0 H ALA A 94 -9.157 4.493 -5.624 1.00 0.00 H new ATOM 0 HA ALA A 94 -6.936 3.207 -4.620 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -7.533 1.391 -6.204 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -8.976 2.074 -5.417 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -8.579 2.525 -7.092 1.00 0.00 H new ATOM 1396 N GLU A 95 -6.657 4.006 -7.797 1.00 0.00 N ATOM 1397 CA GLU A 95 -5.756 4.375 -8.888 1.00 0.00 C ATOM 1398 C GLU A 95 -4.674 5.313 -8.401 1.00 0.00 C ATOM 1399 O GLU A 95 -3.487 5.030 -8.506 1.00 0.00 O ATOM 1400 CB GLU A 95 -6.558 5.047 -10.001 1.00 0.00 C ATOM 1401 CG GLU A 95 -7.783 5.796 -9.498 1.00 0.00 C ATOM 1402 CD GLU A 95 -8.639 6.328 -10.619 1.00 0.00 C ATOM 1403 OE1 GLU A 95 -9.476 5.558 -11.139 1.00 0.00 O ATOM 1404 OE2 GLU A 95 -8.484 7.516 -10.980 1.00 0.00 O ATOM 0 H GLU A 95 -7.644 4.040 -8.052 1.00 0.00 H new ATOM 0 HA GLU A 95 -5.280 3.471 -9.268 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -5.911 5.742 -10.536 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -6.874 4.290 -10.719 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -8.380 5.131 -8.874 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -7.463 6.624 -8.866 1.00 0.00 H new ATOM 1411 N GLU A 96 -5.128 6.416 -7.857 1.00 0.00 N ATOM 1412 CA GLU A 96 -4.277 7.439 -7.287 1.00 0.00 C ATOM 1413 C GLU A 96 -3.372 6.871 -6.203 1.00 0.00 C ATOM 1414 O GLU A 96 -2.166 7.077 -6.216 1.00 0.00 O ATOM 1415 CB GLU A 96 -5.191 8.495 -6.686 1.00 0.00 C ATOM 1416 CG GLU A 96 -4.527 9.804 -6.372 1.00 0.00 C ATOM 1417 CD GLU A 96 -3.965 10.479 -7.599 1.00 0.00 C ATOM 1418 OE1 GLU A 96 -2.845 10.136 -8.021 1.00 0.00 O ATOM 1419 OE2 GLU A 96 -4.661 11.339 -8.170 1.00 0.00 O ATOM 0 H GLU A 96 -6.122 6.635 -7.796 1.00 0.00 H new ATOM 0 HA GLU A 96 -3.633 7.857 -8.061 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -6.013 8.679 -7.378 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -5.628 8.097 -5.770 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -5.248 10.468 -5.895 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -3.724 9.637 -5.654 1.00 0.00 H new ATOM 1426 N LEU A 97 -3.983 6.167 -5.269 1.00 0.00 N ATOM 1427 CA LEU A 97 -3.310 5.597 -4.136 1.00 0.00 C ATOM 1428 C LEU A 97 -2.297 4.568 -4.569 1.00 0.00 C ATOM 1429 O LEU A 97 -1.111 4.713 -4.308 1.00 0.00 O ATOM 1430 CB LEU A 97 -4.348 4.955 -3.244 1.00 0.00 C ATOM 1431 CG LEU A 97 -3.988 4.951 -1.788 1.00 0.00 C ATOM 1432 CD1 LEU A 97 -5.226 4.978 -0.967 1.00 0.00 C ATOM 1433 CD2 LEU A 97 -3.238 3.697 -1.467 1.00 0.00 C ATOM 0 H LEU A 97 -4.985 5.976 -5.285 1.00 0.00 H new ATOM 0 HA LEU A 97 -2.776 6.381 -3.599 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -5.295 5.479 -3.371 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -4.506 3.927 -3.571 1.00 0.00 H new ATOM 0 HG LEU A 97 -3.376 5.826 -1.570 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -4.961 4.975 0.090 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -5.795 5.879 -1.196 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -5.831 4.100 -1.192 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -2.975 3.691 -0.409 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -3.863 2.832 -1.690 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -2.329 3.653 -2.067 1.00 0.00 H new ATOM 1445 N PHE A 98 -2.778 3.532 -5.228 1.00 0.00 N ATOM 1446 CA PHE A 98 -1.920 2.503 -5.756 1.00 0.00 C ATOM 1447 C PHE A 98 -0.745 3.147 -6.476 1.00 0.00 C ATOM 1448 O PHE A 98 0.401 2.891 -6.135 1.00 0.00 O ATOM 1449 CB PHE A 98 -2.703 1.579 -6.700 1.00 0.00 C ATOM 1450 CG PHE A 98 -1.815 0.847 -7.643 1.00 0.00 C ATOM 1451 CD1 PHE A 98 -0.852 0.018 -7.139 1.00 0.00 C ATOM 1452 CD2 PHE A 98 -1.891 1.040 -9.013 1.00 0.00 C ATOM 1453 CE1 PHE A 98 0.038 -0.607 -7.961 1.00 0.00 C ATOM 1454 CE2 PHE A 98 -1.010 0.393 -9.856 1.00 0.00 C ATOM 1455 CZ PHE A 98 -0.036 -0.429 -9.323 1.00 0.00 C ATOM 0 H PHE A 98 -3.771 3.385 -5.409 1.00 0.00 H new ATOM 0 HA PHE A 98 -1.541 1.893 -4.936 1.00 0.00 H new ATOM 0 HB2 PHE A 98 -3.273 0.861 -6.111 1.00 0.00 H new ATOM 0 HB3 PHE A 98 -3.423 2.169 -7.267 1.00 0.00 H new ATOM 0 HD1 PHE A 98 -0.795 -0.144 -6.073 1.00 0.00 H new ATOM 0 HD2 PHE A 98 -2.642 1.699 -9.423 1.00 0.00 H new ATOM 0 HE1 PHE A 98 0.803 -1.244 -7.542 1.00 0.00 H new ATOM 0 HE2 PHE A 98 -1.082 0.528 -10.925 1.00 0.00 H new ATOM 0 HZ PHE A 98 0.665 -0.930 -9.974 1.00 0.00 H new ATOM 1465 N ASN A 99 -1.061 4.011 -7.437 1.00 0.00 N ATOM 1466 CA ASN A 99 -0.059 4.793 -8.169 1.00 0.00 C ATOM 1467 C ASN A 99 0.901 5.453 -7.228 1.00 0.00 C ATOM 1468 O ASN A 99 2.074 5.116 -7.243 1.00 0.00 O ATOM 1469 CB ASN A 99 -0.730 5.871 -9.018 1.00 0.00 C ATOM 1470 CG ASN A 99 0.129 6.304 -10.186 1.00 0.00 C ATOM 1471 OD1 ASN A 99 1.354 6.243 -10.125 1.00 0.00 O ATOM 1472 ND2 ASN A 99 -0.502 6.759 -11.253 1.00 0.00 N ATOM 0 H ASN A 99 -2.020 4.192 -7.733 1.00 0.00 H new ATOM 0 HA ASN A 99 0.484 4.101 -8.813 1.00 0.00 H new ATOM 0 HB2 ASN A 99 -1.683 5.495 -9.391 1.00 0.00 H new ATOM 0 HB3 ASN A 99 -0.951 6.736 -8.393 1.00 0.00 H new ATOM 0 HD21 ASN A 99 0.030 7.075 -12.064 1.00 0.00 H new ATOM 0 HD22 ASN A 99 -1.521 6.794 -11.266 1.00 0.00 H new ATOM 1479 N MET A 100 0.393 6.365 -6.412 1.00 0.00 N ATOM 1480 CA MET A 100 1.211 7.119 -5.480 1.00 0.00 C ATOM 1481 C MET A 100 2.163 6.175 -4.777 1.00 0.00 C ATOM 1482 O MET A 100 3.376 6.347 -4.825 1.00 0.00 O ATOM 1483 CB MET A 100 0.310 7.815 -4.471 1.00 0.00 C ATOM 1484 CG MET A 100 1.038 8.775 -3.562 1.00 0.00 C ATOM 1485 SD MET A 100 0.232 8.967 -1.982 1.00 0.00 S ATOM 1486 CE MET A 100 -1.405 9.313 -2.556 1.00 0.00 C ATOM 0 H MET A 100 -0.599 6.601 -6.379 1.00 0.00 H new ATOM 0 HA MET A 100 1.790 7.873 -6.014 1.00 0.00 H new ATOM 0 HB2 MET A 100 -0.469 8.357 -5.007 1.00 0.00 H new ATOM 0 HB3 MET A 100 -0.188 7.061 -3.862 1.00 0.00 H new ATOM 0 HG2 MET A 100 2.057 8.420 -3.406 1.00 0.00 H new ATOM 0 HG3 MET A 100 1.111 9.747 -4.049 1.00 0.00 H new ATOM 0 HE1 MET A 100 -2.073 9.430 -1.702 1.00 0.00 H new ATOM 0 HE2 MET A 100 -1.399 10.233 -3.141 1.00 0.00 H new ATOM 0 HE3 MET A 100 -1.754 8.489 -3.179 1.00 0.00 H new ATOM 1496 N LEU A 101 1.586 5.161 -4.168 1.00 0.00 N ATOM 1497 CA LEU A 101 2.328 4.051 -3.591 1.00 0.00 C ATOM 1498 C LEU A 101 3.427 3.525 -4.527 1.00 0.00 C ATOM 1499 O LEU A 101 4.591 3.496 -4.133 1.00 0.00 O ATOM 1500 CB LEU A 101 1.330 2.941 -3.239 1.00 0.00 C ATOM 1501 CG LEU A 101 1.877 1.531 -3.091 1.00 0.00 C ATOM 1502 CD1 LEU A 101 2.906 1.454 -1.996 1.00 0.00 C ATOM 1503 CD2 LEU A 101 0.733 0.579 -2.818 1.00 0.00 C ATOM 0 H LEU A 101 0.575 5.080 -4.056 1.00 0.00 H new ATOM 0 HA LEU A 101 2.842 4.400 -2.696 1.00 0.00 H new ATOM 0 HB2 LEU A 101 0.840 3.212 -2.304 1.00 0.00 H new ATOM 0 HB3 LEU A 101 0.559 2.924 -4.009 1.00 0.00 H new ATOM 0 HG LEU A 101 2.372 1.247 -4.020 1.00 0.00 H new ATOM 0 HD11 LEU A 101 3.277 0.432 -1.916 1.00 0.00 H new ATOM 0 HD12 LEU A 101 3.734 2.124 -2.227 1.00 0.00 H new ATOM 0 HD13 LEU A 101 2.453 1.750 -1.050 1.00 0.00 H new ATOM 0 HD21 LEU A 101 1.120 -0.434 -2.711 1.00 0.00 H new ATOM 0 HD22 LEU A 101 0.227 0.873 -1.899 1.00 0.00 H new ATOM 0 HD23 LEU A 101 0.027 0.612 -3.648 1.00 0.00 H new ATOM 1515 N GLN A 102 3.082 3.114 -5.755 1.00 0.00 N ATOM 1516 CA GLN A 102 4.098 2.579 -6.667 1.00 0.00 C ATOM 1517 C GLN A 102 5.181 3.628 -6.937 1.00 0.00 C ATOM 1518 O GLN A 102 6.358 3.291 -7.041 1.00 0.00 O ATOM 1519 CB GLN A 102 3.551 2.077 -8.013 1.00 0.00 C ATOM 1520 CG GLN A 102 2.082 2.044 -8.166 1.00 0.00 C ATOM 1521 CD GLN A 102 1.690 2.183 -9.619 1.00 0.00 C ATOM 1522 OE1 GLN A 102 0.654 2.743 -9.961 1.00 0.00 O ATOM 1523 NE2 GLN A 102 2.535 1.683 -10.485 1.00 0.00 N ATOM 0 H GLN A 102 2.134 3.140 -6.131 1.00 0.00 H new ATOM 0 HA GLN A 102 4.508 1.711 -6.151 1.00 0.00 H new ATOM 0 HB2 GLN A 102 3.960 2.708 -8.802 1.00 0.00 H new ATOM 0 HB3 GLN A 102 3.932 1.070 -8.180 1.00 0.00 H new ATOM 0 HG2 GLN A 102 1.691 1.108 -7.767 1.00 0.00 H new ATOM 0 HG3 GLN A 102 1.633 2.850 -7.585 1.00 0.00 H new ATOM 0 HE21 GLN A 102 3.386 1.224 -10.161 1.00 0.00 H new ATOM 0 HE22 GLN A 102 2.342 1.752 -11.484 1.00 0.00 H new ATOM 1532 N GLU A 103 4.784 4.902 -7.042 1.00 0.00 N ATOM 1533 CA GLU A 103 5.752 5.979 -7.262 1.00 0.00 C ATOM 1534 C GLU A 103 6.626 6.163 -6.042 1.00 0.00 C ATOM 1535 O GLU A 103 7.830 6.282 -6.169 1.00 0.00 O ATOM 1536 CB GLU A 103 5.104 7.329 -7.578 1.00 0.00 C ATOM 1537 CG GLU A 103 3.618 7.318 -7.772 1.00 0.00 C ATOM 1538 CD GLU A 103 3.096 8.672 -8.197 1.00 0.00 C ATOM 1539 OE1 GLU A 103 3.064 9.593 -7.351 1.00 0.00 O ATOM 1540 OE2 GLU A 103 2.736 8.836 -9.382 1.00 0.00 O ATOM 0 H GLU A 103 3.813 5.208 -6.979 1.00 0.00 H new ATOM 0 HA GLU A 103 6.336 5.669 -8.128 1.00 0.00 H new ATOM 0 HB2 GLU A 103 5.339 8.020 -6.769 1.00 0.00 H new ATOM 0 HB3 GLU A 103 5.565 7.728 -8.482 1.00 0.00 H new ATOM 0 HG2 GLU A 103 3.355 6.575 -8.525 1.00 0.00 H new ATOM 0 HG3 GLU A 103 3.133 7.017 -6.844 1.00 0.00 H new ATOM 1547 N ILE A 104 6.027 6.209 -4.860 1.00 0.00 N ATOM 1548 CA ILE A 104 6.805 6.295 -3.633 1.00 0.00 C ATOM 1549 C ILE A 104 7.758 5.115 -3.559 1.00 0.00 C ATOM 1550 O ILE A 104 8.923 5.252 -3.178 1.00 0.00 O ATOM 1551 CB ILE A 104 5.924 6.322 -2.373 1.00 0.00 C ATOM 1552 CG1 ILE A 104 5.204 7.650 -2.254 1.00 0.00 C ATOM 1553 CG2 ILE A 104 6.775 6.098 -1.154 1.00 0.00 C ATOM 1554 CD1 ILE A 104 3.714 7.523 -2.213 1.00 0.00 C ATOM 0 H ILE A 104 5.016 6.188 -4.725 1.00 0.00 H new ATOM 0 HA ILE A 104 7.356 7.235 -3.662 1.00 0.00 H new ATOM 0 HB ILE A 104 5.181 5.528 -2.451 1.00 0.00 H new ATOM 0 HG12 ILE A 104 5.542 8.157 -1.350 1.00 0.00 H new ATOM 0 HG13 ILE A 104 5.483 8.282 -3.097 1.00 0.00 H new ATOM 0 HG21 ILE A 104 6.147 6.118 -0.263 1.00 0.00 H new ATOM 0 HG22 ILE A 104 7.269 5.129 -1.228 1.00 0.00 H new ATOM 0 HG23 ILE A 104 7.527 6.884 -1.086 1.00 0.00 H new ATOM 0 HD11 ILE A 104 3.267 8.513 -2.127 1.00 0.00 H new ATOM 0 HD12 ILE A 104 3.364 7.045 -3.128 1.00 0.00 H new ATOM 0 HD13 ILE A 104 3.424 6.918 -1.354 1.00 0.00 H new ATOM 1566 N MET A 105 7.254 3.960 -3.972 1.00 0.00 N ATOM 1567 CA MET A 105 8.058 2.760 -4.087 1.00 0.00 C ATOM 1568 C MET A 105 9.228 2.980 -5.038 1.00 0.00 C ATOM 1569 O MET A 105 10.250 2.305 -4.967 1.00 0.00 O ATOM 1570 CB MET A 105 7.216 1.607 -4.597 1.00 0.00 C ATOM 1571 CG MET A 105 6.266 1.062 -3.562 1.00 0.00 C ATOM 1572 SD MET A 105 6.204 -0.728 -3.606 1.00 0.00 S ATOM 1573 CE MET A 105 5.153 -1.025 -2.209 1.00 0.00 C ATOM 0 H MET A 105 6.277 3.833 -4.236 1.00 0.00 H new ATOM 0 HA MET A 105 8.443 2.521 -3.096 1.00 0.00 H new ATOM 0 HB2 MET A 105 6.646 1.938 -5.465 1.00 0.00 H new ATOM 0 HB3 MET A 105 7.874 0.806 -4.934 1.00 0.00 H new ATOM 0 HG2 MET A 105 6.577 1.392 -2.571 1.00 0.00 H new ATOM 0 HG3 MET A 105 5.268 1.466 -3.734 1.00 0.00 H new ATOM 0 HE1 MET A 105 5.652 -1.702 -1.516 1.00 0.00 H new ATOM 0 HE2 MET A 105 4.941 -0.082 -1.706 1.00 0.00 H new ATOM 0 HE3 MET A 105 4.219 -1.474 -2.546 1.00 0.00 H new ATOM 1583 N GLN A 106 9.036 3.925 -5.938 1.00 0.00 N ATOM 1584 CA GLN A 106 10.009 4.274 -6.954 1.00 0.00 C ATOM 1585 C GLN A 106 10.965 5.361 -6.481 1.00 0.00 C ATOM 1586 O GLN A 106 12.092 5.458 -6.963 1.00 0.00 O ATOM 1587 CB GLN A 106 9.265 4.769 -8.185 1.00 0.00 C ATOM 1588 CG GLN A 106 8.743 3.659 -9.058 1.00 0.00 C ATOM 1589 CD GLN A 106 9.861 2.872 -9.684 1.00 0.00 C ATOM 1590 OE1 GLN A 106 10.326 1.864 -8.980 1.00 0.00 O flip ATOM 1591 NE2 GLN A 106 10.314 3.180 -10.787 1.00 0.00 N flip ATOM 0 H GLN A 106 8.183 4.482 -5.984 1.00 0.00 H new ATOM 0 HA GLN A 106 10.601 3.387 -7.179 1.00 0.00 H new ATOM 0 HB2 GLN A 106 8.430 5.394 -7.868 1.00 0.00 H new ATOM 0 HB3 GLN A 106 9.931 5.400 -8.773 1.00 0.00 H new ATOM 0 HG2 GLN A 106 8.117 2.993 -8.464 1.00 0.00 H new ATOM 0 HG3 GLN A 106 8.110 4.078 -9.840 1.00 0.00 H new ATOM 0 HE21 GLN A 106 9.921 3.971 -11.297 1.00 0.00 H new ATOM 0 HE22 GLN A 106 11.082 2.644 -11.190 1.00 0.00 H new ATOM 1600 N ASN A 107 10.516 6.174 -5.534 1.00 0.00 N ATOM 1601 CA ASN A 107 11.193 7.429 -5.253 1.00 0.00 C ATOM 1602 C ASN A 107 11.601 7.595 -3.787 1.00 0.00 C ATOM 1603 O ASN A 107 12.057 8.665 -3.386 1.00 0.00 O ATOM 1604 CB ASN A 107 10.311 8.596 -5.727 1.00 0.00 C ATOM 1605 CG ASN A 107 8.973 8.710 -5.027 1.00 0.00 C ATOM 1606 OD1 ASN A 107 8.845 8.496 -3.824 1.00 0.00 O ATOM 1607 ND2 ASN A 107 7.950 9.023 -5.809 1.00 0.00 N ATOM 0 H ASN A 107 9.697 5.989 -4.955 1.00 0.00 H new ATOM 0 HA ASN A 107 12.132 7.424 -5.807 1.00 0.00 H new ATOM 0 HB2 ASN A 107 10.859 9.527 -5.585 1.00 0.00 H new ATOM 0 HB3 ASN A 107 10.136 8.489 -6.798 1.00 0.00 H new ATOM 0 HD21 ASN A 107 7.011 9.094 -5.417 1.00 0.00 H new ATOM 0 HD22 ASN A 107 8.101 9.193 -6.803 1.00 0.00 H new ATOM 1614 N ASN A 108 11.443 6.554 -2.981 1.00 0.00 N ATOM 1615 CA ASN A 108 11.969 6.588 -1.617 1.00 0.00 C ATOM 1616 C ASN A 108 12.983 5.485 -1.379 1.00 0.00 C ATOM 1617 O ASN A 108 13.806 5.590 -0.471 1.00 0.00 O ATOM 1618 CB ASN A 108 10.867 6.499 -0.559 1.00 0.00 C ATOM 1619 CG ASN A 108 10.197 7.837 -0.316 1.00 0.00 C ATOM 1620 OD1 ASN A 108 9.144 8.134 -1.055 1.00 0.00 O flip ATOM 1621 ND2 ASN A 108 10.639 8.611 0.527 1.00 0.00 N flip ATOM 0 H ASN A 108 10.965 5.690 -3.238 1.00 0.00 H new ATOM 0 HA ASN A 108 12.461 7.555 -1.516 1.00 0.00 H new ATOM 0 HB2 ASN A 108 10.119 5.772 -0.876 1.00 0.00 H new ATOM 0 HB3 ASN A 108 11.292 6.132 0.375 1.00 0.00 H new ATOM 0 HD21 ASN A 108 11.455 8.350 1.081 1.00 0.00 H new ATOM 0 HD22 ASN A 108 10.191 9.515 0.674 1.00 0.00 H new ATOM 1628 N SER A 109 12.894 4.419 -2.177 1.00 0.00 N ATOM 1629 CA SER A 109 13.747 3.229 -2.027 1.00 0.00 C ATOM 1630 C SER A 109 13.354 2.442 -0.771 1.00 0.00 C ATOM 1631 O SER A 109 13.535 1.226 -0.713 1.00 0.00 O ATOM 1632 CB SER A 109 15.232 3.612 -1.991 1.00 0.00 C ATOM 1633 OG SER A 109 15.605 4.324 -3.164 1.00 0.00 O ATOM 0 H SER A 109 12.229 4.352 -2.948 1.00 0.00 H new ATOM 0 HA SER A 109 13.592 2.590 -2.896 1.00 0.00 H new ATOM 0 HB2 SER A 109 15.432 4.224 -1.111 1.00 0.00 H new ATOM 0 HB3 SER A 109 15.841 2.713 -1.899 1.00 0.00 H new ATOM 0 HG SER A 109 16.555 4.558 -3.116 1.00 0.00 H new ATOM 1639 N ILE A 110 12.809 3.154 0.217 1.00 0.00 N ATOM 1640 CA ILE A 110 12.149 2.555 1.366 1.00 0.00 C ATOM 1641 C ILE A 110 13.085 1.694 2.211 1.00 0.00 C ATOM 1642 O ILE A 110 13.386 0.544 1.870 1.00 0.00 O ATOM 1643 CB ILE A 110 10.930 1.716 0.966 1.00 0.00 C ATOM 1644 CG1 ILE A 110 9.819 2.572 0.380 1.00 0.00 C ATOM 1645 CG2 ILE A 110 10.415 0.982 2.172 1.00 0.00 C ATOM 1646 CD1 ILE A 110 10.096 3.136 -0.985 1.00 0.00 C ATOM 0 H ILE A 110 12.816 4.174 0.237 1.00 0.00 H new ATOM 0 HA ILE A 110 11.820 3.402 1.969 1.00 0.00 H new ATOM 0 HB ILE A 110 11.246 1.011 0.197 1.00 0.00 H new ATOM 0 HG12 ILE A 110 8.909 1.974 0.330 1.00 0.00 H new ATOM 0 HG13 ILE A 110 9.620 3.398 1.063 1.00 0.00 H new ATOM 0 HG21 ILE A 110 9.548 0.384 1.891 1.00 0.00 H new ATOM 0 HG22 ILE A 110 11.196 0.328 2.561 1.00 0.00 H new ATOM 0 HG23 ILE A 110 10.127 1.700 2.940 1.00 0.00 H new ATOM 0 HD11 ILE A 110 9.243 3.730 -1.313 1.00 0.00 H new ATOM 0 HD12 ILE A 110 10.984 3.767 -0.945 1.00 0.00 H new ATOM 0 HD13 ILE A 110 10.262 2.320 -1.689 1.00 0.00 H new ATOM 1658 N ASN A 111 13.521 2.242 3.332 1.00 0.00 N ATOM 1659 CA ASN A 111 14.334 1.489 4.269 1.00 0.00 C ATOM 1660 C ASN A 111 14.011 1.879 5.699 1.00 0.00 C ATOM 1661 O ASN A 111 13.746 3.044 6.003 1.00 0.00 O ATOM 1662 CB ASN A 111 15.834 1.703 4.008 1.00 0.00 C ATOM 1663 CG ASN A 111 16.314 1.064 2.718 1.00 0.00 C ATOM 1664 OD1 ASN A 111 16.337 1.698 1.663 1.00 0.00 O ATOM 1665 ND2 ASN A 111 16.708 -0.198 2.795 1.00 0.00 N ATOM 0 H ASN A 111 13.326 3.203 3.614 1.00 0.00 H new ATOM 0 HA ASN A 111 14.101 0.434 4.122 1.00 0.00 H new ATOM 0 HB2 ASN A 111 16.041 2.773 3.975 1.00 0.00 H new ATOM 0 HB3 ASN A 111 16.403 1.293 4.842 1.00 0.00 H new ATOM 0 HD21 ASN A 111 17.046 -0.679 1.961 1.00 0.00 H new ATOM 0 HD22 ASN A 111 16.674 -0.689 3.688 1.00 0.00 H new ATOM 1672 N VAL A 112 13.978 0.877 6.559 1.00 0.00 N ATOM 1673 CA VAL A 112 13.891 1.086 7.994 1.00 0.00 C ATOM 1674 C VAL A 112 15.307 1.152 8.533 1.00 0.00 C ATOM 1675 O VAL A 112 15.576 1.693 9.604 1.00 0.00 O ATOM 1676 CB VAL A 112 13.135 -0.064 8.684 1.00 0.00 C ATOM 1677 CG1 VAL A 112 12.846 0.268 10.140 1.00 0.00 C ATOM 1678 CG2 VAL A 112 11.854 -0.378 7.934 1.00 0.00 C ATOM 0 H VAL A 112 14.011 -0.104 6.283 1.00 0.00 H new ATOM 0 HA VAL A 112 13.344 2.008 8.194 1.00 0.00 H new ATOM 0 HB VAL A 112 13.770 -0.950 8.667 1.00 0.00 H new ATOM 0 HG11 VAL A 112 12.311 -0.561 10.603 1.00 0.00 H new ATOM 0 HG12 VAL A 112 13.785 0.435 10.668 1.00 0.00 H new ATOM 0 HG13 VAL A 112 12.235 1.169 10.193 1.00 0.00 H new ATOM 0 HG21 VAL A 112 11.330 -1.193 8.434 1.00 0.00 H new ATOM 0 HG22 VAL A 112 11.217 0.506 7.916 1.00 0.00 H new ATOM 0 HG23 VAL A 112 12.093 -0.673 6.912 1.00 0.00 H new ATOM 1688 N VAL A 113 16.196 0.585 7.739 1.00 0.00 N ATOM 1689 CA VAL A 113 17.615 0.568 8.002 1.00 0.00 C ATOM 1690 C VAL A 113 18.275 -0.110 6.808 1.00 0.00 C ATOM 1691 O VAL A 113 17.567 -0.526 5.884 1.00 0.00 O ATOM 1692 CB VAL A 113 17.943 -0.180 9.321 1.00 0.00 C ATOM 1693 CG1 VAL A 113 17.909 -1.690 9.133 1.00 0.00 C ATOM 1694 CG2 VAL A 113 19.274 0.277 9.895 1.00 0.00 C ATOM 0 H VAL A 113 15.940 0.112 6.872 1.00 0.00 H new ATOM 0 HA VAL A 113 17.990 1.583 8.130 1.00 0.00 H new ATOM 0 HB VAL A 113 17.166 0.073 10.042 1.00 0.00 H new ATOM 0 HG11 VAL A 113 18.144 -2.180 10.078 1.00 0.00 H new ATOM 0 HG12 VAL A 113 16.915 -1.993 8.804 1.00 0.00 H new ATOM 0 HG13 VAL A 113 18.644 -1.980 8.382 1.00 0.00 H new ATOM 0 HG21 VAL A 113 19.477 -0.265 10.819 1.00 0.00 H new ATOM 0 HG22 VAL A 113 20.068 0.078 9.176 1.00 0.00 H new ATOM 0 HG23 VAL A 113 19.233 1.346 10.103 1.00 0.00 H new ATOM 1704 N GLU A 114 19.597 -0.217 6.813 1.00 0.00 N ATOM 1705 CA GLU A 114 20.323 -0.869 5.740 1.00 0.00 C ATOM 1706 C GLU A 114 20.055 -0.206 4.405 1.00 0.00 C ATOM 1707 O GLU A 114 19.474 -0.808 3.504 1.00 0.00 O ATOM 1708 CB GLU A 114 19.930 -2.333 5.666 1.00 0.00 C ATOM 1709 CG GLU A 114 20.394 -3.174 6.825 1.00 0.00 C ATOM 1710 CD GLU A 114 19.698 -4.518 6.843 1.00 0.00 C ATOM 1711 OE1 GLU A 114 19.940 -5.327 5.922 1.00 0.00 O ATOM 1712 OE2 GLU A 114 18.872 -4.757 7.745 1.00 0.00 O ATOM 0 H GLU A 114 20.191 0.145 7.559 1.00 0.00 H new ATOM 0 HA GLU A 114 21.388 -0.781 5.956 1.00 0.00 H new ATOM 0 HB2 GLU A 114 18.844 -2.400 5.600 1.00 0.00 H new ATOM 0 HB3 GLU A 114 20.332 -2.756 4.745 1.00 0.00 H new ATOM 0 HG2 GLU A 114 21.472 -3.321 6.762 1.00 0.00 H new ATOM 0 HG3 GLU A 114 20.199 -2.648 7.760 1.00 0.00 H new ATOM 1719 N GLU A 115 20.476 1.030 4.284 1.00 0.00 N ATOM 1720 CA GLU A 115 20.326 1.755 3.032 1.00 0.00 C ATOM 1721 C GLU A 115 21.489 1.448 2.114 1.00 0.00 C ATOM 1722 O GLU A 115 22.623 1.810 2.412 1.00 0.00 O ATOM 1723 CB GLU A 115 20.269 3.265 3.255 1.00 0.00 C ATOM 1724 CG GLU A 115 19.066 3.733 4.048 1.00 0.00 C ATOM 1725 CD GLU A 115 19.108 5.222 4.310 1.00 0.00 C ATOM 1726 OE1 GLU A 115 18.992 6.011 3.347 1.00 0.00 O ATOM 1727 OE2 GLU A 115 19.290 5.613 5.481 1.00 0.00 O ATOM 0 H GLU A 115 20.925 1.559 5.032 1.00 0.00 H new ATOM 0 HA GLU A 115 19.387 1.432 2.582 1.00 0.00 H new ATOM 0 HB2 GLU A 115 21.175 3.578 3.773 1.00 0.00 H new ATOM 0 HB3 GLU A 115 20.267 3.764 2.286 1.00 0.00 H new ATOM 0 HG2 GLU A 115 18.154 3.486 3.504 1.00 0.00 H new ATOM 0 HG3 GLU A 115 19.026 3.198 4.997 1.00 0.00 H new ATOM 1734 N PRO A 116 21.238 0.780 0.983 1.00 0.00 N ATOM 1735 CA PRO A 116 22.250 0.567 -0.045 1.00 0.00 C ATOM 1736 C PRO A 116 22.465 1.828 -0.863 1.00 0.00 C ATOM 1737 O PRO A 116 22.669 1.763 -2.075 1.00 0.00 O ATOM 1738 CB PRO A 116 21.667 -0.516 -0.941 1.00 0.00 C ATOM 1739 CG PRO A 116 20.417 -0.964 -0.274 1.00 0.00 C ATOM 1740 CD PRO A 116 19.967 0.163 0.610 1.00 0.00 C ATOM 0 HA PRO A 116 23.212 0.295 0.389 1.00 0.00 H new ATOM 0 HB2 PRO A 116 21.461 -0.129 -1.939 1.00 0.00 H new ATOM 0 HB3 PRO A 116 22.366 -1.344 -1.059 1.00 0.00 H new ATOM 0 HG2 PRO A 116 19.651 -1.206 -1.011 1.00 0.00 H new ATOM 0 HG3 PRO A 116 20.593 -1.867 0.311 1.00 0.00 H new ATOM 0 HD2 PRO A 116 19.314 0.859 0.084 1.00 0.00 H new ATOM 0 HD3 PRO A 116 19.416 -0.195 1.480 1.00 0.00 H new ATOM 1748 N VAL A 117 22.407 2.967 -0.178 1.00 0.00 N ATOM 1749 CA VAL A 117 22.496 4.282 -0.797 1.00 0.00 C ATOM 1750 C VAL A 117 21.261 4.579 -1.630 1.00 0.00 C ATOM 1751 O VAL A 117 21.029 3.955 -2.667 1.00 0.00 O ATOM 1752 CB VAL A 117 23.738 4.436 -1.686 1.00 0.00 C ATOM 1753 CG1 VAL A 117 24.011 5.898 -1.987 1.00 0.00 C ATOM 1754 CG2 VAL A 117 24.945 3.761 -1.059 1.00 0.00 C ATOM 0 H VAL A 117 22.295 3.001 0.835 1.00 0.00 H new ATOM 0 HA VAL A 117 22.572 4.993 0.026 1.00 0.00 H new ATOM 0 HB VAL A 117 23.540 3.936 -2.634 1.00 0.00 H new ATOM 0 HG11 VAL A 117 24.896 5.980 -2.618 1.00 0.00 H new ATOM 0 HG12 VAL A 117 23.154 6.329 -2.505 1.00 0.00 H new ATOM 0 HG13 VAL A 117 24.179 6.436 -1.054 1.00 0.00 H new ATOM 0 HG21 VAL A 117 25.810 3.886 -1.710 1.00 0.00 H new ATOM 0 HG22 VAL A 117 25.152 4.214 -0.089 1.00 0.00 H new ATOM 0 HG23 VAL A 117 24.740 2.699 -0.927 1.00 0.00 H new ATOM 1764 N VAL A 118 20.459 5.516 -1.161 1.00 0.00 N ATOM 1765 CA VAL A 118 19.323 5.979 -1.938 1.00 0.00 C ATOM 1766 C VAL A 118 19.812 6.606 -3.225 1.00 0.00 C ATOM 1767 O VAL A 118 20.407 7.687 -3.226 1.00 0.00 O ATOM 1768 CB VAL A 118 18.422 6.952 -1.153 1.00 0.00 C ATOM 1769 CG1 VAL A 118 17.481 7.710 -2.080 1.00 0.00 C ATOM 1770 CG2 VAL A 118 17.626 6.158 -0.144 1.00 0.00 C ATOM 0 H VAL A 118 20.570 5.969 -0.254 1.00 0.00 H new ATOM 0 HA VAL A 118 18.703 5.113 -2.169 1.00 0.00 H new ATOM 0 HB VAL A 118 19.048 7.689 -0.650 1.00 0.00 H new ATOM 0 HG11 VAL A 118 16.860 8.387 -1.494 1.00 0.00 H new ATOM 0 HG12 VAL A 118 18.064 8.284 -2.800 1.00 0.00 H new ATOM 0 HG13 VAL A 118 16.844 7.002 -2.611 1.00 0.00 H new ATOM 0 HG21 VAL A 118 16.982 6.831 0.422 1.00 0.00 H new ATOM 0 HG22 VAL A 118 17.014 5.420 -0.663 1.00 0.00 H new ATOM 0 HG23 VAL A 118 18.307 5.649 0.538 1.00 0.00 H new ATOM 1780 N GLU A 119 19.553 5.887 -4.308 1.00 0.00 N ATOM 1781 CA GLU A 119 20.143 6.175 -5.613 1.00 0.00 C ATOM 1782 C GLU A 119 21.667 6.048 -5.548 1.00 0.00 C ATOM 1783 O GLU A 119 22.355 6.936 -5.049 1.00 0.00 O ATOM 1784 CB GLU A 119 19.753 7.573 -6.112 1.00 0.00 C ATOM 1785 CG GLU A 119 20.445 7.974 -7.409 1.00 0.00 C ATOM 1786 CD GLU A 119 20.027 7.122 -8.591 1.00 0.00 C ATOM 1787 OE1 GLU A 119 20.468 5.958 -8.691 1.00 0.00 O ATOM 1788 OE2 GLU A 119 19.245 7.618 -9.433 1.00 0.00 O ATOM 0 H GLU A 119 18.925 5.083 -4.309 1.00 0.00 H new ATOM 0 HA GLU A 119 19.752 5.444 -6.321 1.00 0.00 H new ATOM 0 HB2 GLU A 119 18.674 7.609 -6.260 1.00 0.00 H new ATOM 0 HB3 GLU A 119 19.993 8.305 -5.341 1.00 0.00 H new ATOM 0 HG2 GLU A 119 20.223 9.019 -7.625 1.00 0.00 H new ATOM 0 HG3 GLU A 119 21.524 7.898 -7.277 1.00 0.00 H new ATOM 1795 N ARG A 120 22.189 4.937 -6.046 1.00 0.00 N ATOM 1796 CA ARG A 120 23.629 4.740 -6.113 1.00 0.00 C ATOM 1797 C ARG A 120 24.212 5.587 -7.235 1.00 0.00 C ATOM 1798 O ARG A 120 25.144 6.361 -7.025 1.00 0.00 O ATOM 1799 CB ARG A 120 23.954 3.270 -6.336 1.00 0.00 C ATOM 1800 CG ARG A 120 23.758 2.432 -5.091 1.00 0.00 C ATOM 1801 CD ARG A 120 25.018 2.384 -4.242 1.00 0.00 C ATOM 1802 NE ARG A 120 26.117 1.705 -4.928 1.00 0.00 N ATOM 1803 CZ ARG A 120 27.308 2.251 -5.175 1.00 0.00 C ATOM 1804 NH1 ARG A 120 27.541 3.527 -4.893 1.00 0.00 N ATOM 1805 NH2 ARG A 120 28.261 1.521 -5.737 1.00 0.00 N ATOM 0 H ARG A 120 21.638 4.159 -6.409 1.00 0.00 H new ATOM 0 HA ARG A 120 24.073 5.049 -5.167 1.00 0.00 H new ATOM 0 HB2 ARG A 120 23.323 2.880 -7.134 1.00 0.00 H new ATOM 0 HB3 ARG A 120 24.987 3.178 -6.672 1.00 0.00 H new ATOM 0 HG2 ARG A 120 22.938 2.842 -4.502 1.00 0.00 H new ATOM 0 HG3 ARG A 120 23.472 1.419 -5.375 1.00 0.00 H new ATOM 0 HD2 ARG A 120 25.322 3.399 -3.987 1.00 0.00 H new ATOM 0 HD3 ARG A 120 24.804 1.871 -3.305 1.00 0.00 H new ATOM 0 HE ARG A 120 25.961 0.746 -5.239 1.00 0.00 H new ATOM 0 HH11 ARG A 120 26.805 4.101 -4.483 1.00 0.00 H new ATOM 0 HH12 ARG A 120 28.456 3.933 -5.087 1.00 0.00 H new ATOM 0 HH21 ARG A 120 28.081 0.546 -5.978 1.00 0.00 H new ATOM 0 HH22 ARG A 120 29.174 1.934 -5.928 1.00 0.00 H new ATOM 1819 N ASN A 121 23.622 5.425 -8.418 1.00 0.00 N ATOM 1820 CA ASN A 121 23.975 6.191 -9.615 1.00 0.00 C ATOM 1821 C ASN A 121 23.272 5.567 -10.805 1.00 0.00 C ATOM 1822 O ASN A 121 22.649 6.252 -11.612 1.00 0.00 O ATOM 1823 CB ASN A 121 25.487 6.188 -9.872 1.00 0.00 C ATOM 1824 CG ASN A 121 25.945 7.270 -10.848 1.00 0.00 C ATOM 1825 OD1 ASN A 121 25.100 7.650 -11.796 1.00 0.00 O flip ATOM 1826 ND2 ASN A 121 27.067 7.762 -10.745 1.00 0.00 N flip ATOM 0 H ASN A 121 22.875 4.749 -8.576 1.00 0.00 H new ATOM 0 HA ASN A 121 23.664 7.225 -9.466 1.00 0.00 H new ATOM 0 HB2 ASN A 121 26.008 6.322 -8.924 1.00 0.00 H new ATOM 0 HB3 ASN A 121 25.779 5.213 -10.261 1.00 0.00 H new ATOM 0 HD21 ASN A 121 27.695 7.449 -10.005 1.00 0.00 H new ATOM 0 HD22 ASN A 121 27.370 8.483 -11.400 1.00 0.00 H new ATOM 1833 N ASN A 122 23.388 4.254 -10.895 1.00 0.00 N ATOM 1834 CA ASN A 122 22.761 3.484 -11.954 1.00 0.00 C ATOM 1835 C ASN A 122 21.352 3.089 -11.544 1.00 0.00 C ATOM 1836 O ASN A 122 20.391 3.535 -12.195 1.00 0.00 O ATOM 1837 CB ASN A 122 23.587 2.232 -12.289 1.00 0.00 C ATOM 1838 CG ASN A 122 23.881 1.359 -11.077 1.00 0.00 C ATOM 1839 OD1 ASN A 122 24.105 1.855 -9.972 1.00 0.00 O ATOM 1840 ND2 ASN A 122 23.869 0.052 -11.272 1.00 0.00 N ATOM 1841 OXT ASN A 122 21.202 2.364 -10.546 1.00 0.00 O ATOM 0 H ASN A 122 23.922 3.690 -10.233 1.00 0.00 H new ATOM 0 HA ASN A 122 22.713 4.106 -12.848 1.00 0.00 H new ATOM 0 HB2 ASN A 122 23.052 1.641 -13.032 1.00 0.00 H new ATOM 0 HB3 ASN A 122 24.529 2.538 -12.744 1.00 0.00 H new ATOM 0 HD21 ASN A 122 24.049 -0.582 -10.493 1.00 0.00 H new ATOM 0 HD22 ASN A 122 23.680 -0.323 -12.201 1.00 0.00 H new TER 1848 ASN A 122 ATOM 1849 N GLY B 493 -4.416 -13.591 -13.413 1.00 0.00 N ATOM 1850 CA GLY B 493 -3.570 -14.482 -12.591 1.00 0.00 C ATOM 1851 C GLY B 493 -3.775 -14.249 -11.111 1.00 0.00 C ATOM 1852 O GLY B 493 -4.743 -13.603 -10.712 1.00 0.00 O ATOM 0 HA2 GLY B 493 -3.798 -15.521 -12.830 1.00 0.00 H new ATOM 0 HA3 GLY B 493 -2.522 -14.320 -12.842 1.00 0.00 H new ATOM 1858 N PRO B 494 -2.868 -14.761 -10.268 1.00 0.00 N ATOM 1859 CA PRO B 494 -2.958 -14.629 -8.810 1.00 0.00 C ATOM 1860 C PRO B 494 -2.669 -13.209 -8.329 1.00 0.00 C ATOM 1861 O PRO B 494 -2.966 -12.863 -7.187 1.00 0.00 O ATOM 1862 CB PRO B 494 -1.886 -15.598 -8.287 1.00 0.00 C ATOM 1863 CG PRO B 494 -1.473 -16.411 -9.468 1.00 0.00 C ATOM 1864 CD PRO B 494 -1.688 -15.533 -10.663 1.00 0.00 C ATOM 0 HA PRO B 494 -3.963 -14.851 -8.451 1.00 0.00 H new ATOM 0 HB2 PRO B 494 -1.038 -15.056 -7.868 1.00 0.00 H new ATOM 0 HB3 PRO B 494 -2.283 -16.232 -7.494 1.00 0.00 H new ATOM 0 HG2 PRO B 494 -0.429 -16.714 -9.388 1.00 0.00 H new ATOM 0 HG3 PRO B 494 -2.065 -17.323 -9.541 1.00 0.00 H new ATOM 0 HD2 PRO B 494 -0.828 -14.892 -10.858 1.00 0.00 H new ATOM 0 HD3 PRO B 494 -1.865 -16.113 -11.569 1.00 0.00 H new ATOM 1872 N ASP B 495 -2.085 -12.389 -9.199 1.00 0.00 N ATOM 1873 CA ASP B 495 -1.799 -11.000 -8.853 1.00 0.00 C ATOM 1874 C ASP B 495 -3.086 -10.222 -8.674 1.00 0.00 C ATOM 1875 O ASP B 495 -3.274 -9.570 -7.661 1.00 0.00 O ATOM 1876 CB ASP B 495 -0.905 -10.337 -9.911 1.00 0.00 C ATOM 1877 CG ASP B 495 -1.433 -10.506 -11.321 1.00 0.00 C ATOM 1878 OD1 ASP B 495 -1.189 -11.571 -11.919 1.00 0.00 O ATOM 1879 OD2 ASP B 495 -2.097 -9.583 -11.840 1.00 0.00 O ATOM 0 H ASP B 495 -1.803 -12.659 -10.141 1.00 0.00 H new ATOM 0 HA ASP B 495 -1.257 -10.993 -7.908 1.00 0.00 H new ATOM 0 HB2 ASP B 495 -0.814 -9.274 -9.688 1.00 0.00 H new ATOM 0 HB3 ASP B 495 0.097 -10.762 -9.851 1.00 0.00 H new ATOM 1884 N ALA B 496 -4.008 -10.313 -9.601 1.00 0.00 N ATOM 1885 CA ALA B 496 -5.260 -9.642 -9.384 1.00 0.00 C ATOM 1886 C ALA B 496 -5.942 -10.236 -8.176 1.00 0.00 C ATOM 1887 O ALA B 496 -6.154 -11.445 -8.086 1.00 0.00 O ATOM 1888 CB ALA B 496 -6.151 -9.659 -10.601 1.00 0.00 C ATOM 0 H ALA B 496 -3.921 -10.824 -10.479 1.00 0.00 H new ATOM 0 HA ALA B 496 -5.053 -8.589 -9.194 1.00 0.00 H new ATOM 0 HB1 ALA B 496 -7.082 -9.138 -10.378 1.00 0.00 H new ATOM 0 HB2 ALA B 496 -5.646 -9.161 -11.429 1.00 0.00 H new ATOM 0 HB3 ALA B 496 -6.370 -10.690 -10.877 1.00 0.00 H new ATOM 1894 N VAL B 497 -6.174 -9.382 -7.208 1.00 0.00 N ATOM 1895 CA VAL B 497 -6.911 -9.762 -6.015 1.00 0.00 C ATOM 1896 C VAL B 497 -8.375 -9.604 -6.300 1.00 0.00 C ATOM 1897 O VAL B 497 -8.857 -8.516 -6.573 1.00 0.00 O ATOM 1898 CB VAL B 497 -6.489 -8.921 -4.764 1.00 0.00 C ATOM 1899 CG1 VAL B 497 -5.284 -8.092 -5.083 1.00 0.00 C ATOM 1900 CG2 VAL B 497 -7.610 -8.018 -4.247 1.00 0.00 C ATOM 0 H VAL B 497 -5.862 -8.411 -7.219 1.00 0.00 H new ATOM 0 HA VAL B 497 -6.682 -10.800 -5.772 1.00 0.00 H new ATOM 0 HB VAL B 497 -6.257 -9.634 -3.972 1.00 0.00 H new ATOM 0 HG11 VAL B 497 -4.999 -7.511 -4.206 1.00 0.00 H new ATOM 0 HG12 VAL B 497 -4.459 -8.744 -5.370 1.00 0.00 H new ATOM 0 HG13 VAL B 497 -5.515 -7.416 -5.906 1.00 0.00 H new ATOM 0 HG21 VAL B 497 -7.257 -7.461 -3.379 1.00 0.00 H new ATOM 0 HG22 VAL B 497 -7.906 -7.321 -5.031 1.00 0.00 H new ATOM 0 HG23 VAL B 497 -8.467 -8.629 -3.962 1.00 0.00 H new ATOM 1910 N ILE B 498 -9.105 -10.675 -6.312 1.00 0.00 N ATOM 1911 CA ILE B 498 -10.469 -10.513 -6.685 1.00 0.00 C ATOM 1912 C ILE B 498 -11.274 -10.358 -5.430 1.00 0.00 C ATOM 1913 O ILE B 498 -11.816 -11.327 -4.890 1.00 0.00 O ATOM 1914 CB ILE B 498 -11.075 -11.609 -7.580 1.00 0.00 C ATOM 1915 CG1 ILE B 498 -10.213 -12.015 -8.801 1.00 0.00 C ATOM 1916 CG2 ILE B 498 -12.430 -11.121 -8.080 1.00 0.00 C ATOM 1917 CD1 ILE B 498 -8.876 -11.352 -8.942 1.00 0.00 C ATOM 0 H ILE B 498 -8.800 -11.621 -6.081 1.00 0.00 H new ATOM 0 HA ILE B 498 -10.503 -9.628 -7.320 1.00 0.00 H new ATOM 0 HB ILE B 498 -11.146 -12.502 -6.959 1.00 0.00 H new ATOM 0 HG12 ILE B 498 -10.054 -13.093 -8.760 1.00 0.00 H new ATOM 0 HG13 ILE B 498 -10.788 -11.812 -9.704 1.00 0.00 H new ATOM 0 HG21 ILE B 498 -12.879 -11.883 -8.717 1.00 0.00 H new ATOM 0 HG22 ILE B 498 -13.084 -10.928 -7.229 1.00 0.00 H new ATOM 0 HG23 ILE B 498 -12.298 -10.202 -8.651 1.00 0.00 H new ATOM 0 HD11 ILE B 498 -8.377 -11.725 -9.836 1.00 0.00 H new ATOM 0 HD12 ILE B 498 -9.012 -10.274 -9.026 1.00 0.00 H new ATOM 0 HD13 ILE B 498 -8.266 -11.574 -8.067 1.00 0.00 H new ATOM 1929 N ILE B 499 -11.316 -9.136 -4.930 1.00 0.00 N ATOM 1930 CA ILE B 499 -11.976 -8.901 -3.684 1.00 0.00 C ATOM 1931 C ILE B 499 -13.444 -8.606 -3.964 1.00 0.00 C ATOM 1932 O ILE B 499 -13.844 -7.465 -4.208 1.00 0.00 O ATOM 1933 CB ILE B 499 -11.265 -7.785 -2.859 1.00 0.00 C ATOM 1934 CG1 ILE B 499 -10.080 -8.356 -2.061 1.00 0.00 C ATOM 1935 CG2 ILE B 499 -12.226 -7.071 -1.931 1.00 0.00 C ATOM 1936 CD1 ILE B 499 -10.166 -9.841 -1.769 1.00 0.00 C ATOM 0 H ILE B 499 -10.905 -8.312 -5.368 1.00 0.00 H new ATOM 0 HA ILE B 499 -11.921 -9.790 -3.056 1.00 0.00 H new ATOM 0 HB ILE B 499 -10.885 -7.055 -3.574 1.00 0.00 H new ATOM 0 HG12 ILE B 499 -9.161 -8.161 -2.614 1.00 0.00 H new ATOM 0 HG13 ILE B 499 -10.004 -7.818 -1.116 1.00 0.00 H new ATOM 0 HG21 ILE B 499 -11.691 -6.301 -1.375 1.00 0.00 H new ATOM 0 HG22 ILE B 499 -13.021 -6.609 -2.516 1.00 0.00 H new ATOM 0 HG23 ILE B 499 -12.659 -7.788 -1.233 1.00 0.00 H new ATOM 0 HD11 ILE B 499 -9.288 -10.152 -1.203 1.00 0.00 H new ATOM 0 HD12 ILE B 499 -11.064 -10.046 -1.186 1.00 0.00 H new ATOM 0 HD13 ILE B 499 -10.208 -10.394 -2.707 1.00 0.00 H new ATOM 1948 N GLY B 500 -14.215 -9.694 -3.974 1.00 0.00 N ATOM 1949 CA GLY B 500 -15.648 -9.647 -4.210 1.00 0.00 C ATOM 1950 C GLY B 500 -16.056 -8.727 -5.340 1.00 0.00 C ATOM 1951 O GLY B 500 -15.981 -9.098 -6.512 1.00 0.00 O ATOM 0 H GLY B 500 -13.855 -10.635 -3.817 1.00 0.00 H new ATOM 0 HA2 GLY B 500 -16.003 -10.654 -4.429 1.00 0.00 H new ATOM 0 HA3 GLY B 500 -16.146 -9.325 -3.295 1.00 0.00 H new ATOM 1955 N MET B 501 -16.493 -7.527 -4.961 1.00 0.00 N ATOM 1956 CA MET B 501 -16.934 -6.510 -5.880 1.00 0.00 C ATOM 1957 C MET B 501 -15.985 -6.342 -7.056 1.00 0.00 C ATOM 1958 O MET B 501 -16.430 -6.191 -8.195 1.00 0.00 O ATOM 1959 CB MET B 501 -17.052 -5.185 -5.135 1.00 0.00 C ATOM 1960 CG MET B 501 -17.826 -4.160 -5.908 1.00 0.00 C ATOM 1961 SD MET B 501 -17.457 -2.464 -5.415 1.00 0.00 S ATOM 1962 CE MET B 501 -15.748 -2.315 -5.945 1.00 0.00 C ATOM 0 H MET B 501 -16.547 -7.241 -3.983 1.00 0.00 H new ATOM 0 HA MET B 501 -17.900 -6.819 -6.280 1.00 0.00 H new ATOM 0 HB2 MET B 501 -17.538 -5.354 -4.174 1.00 0.00 H new ATOM 0 HB3 MET B 501 -16.054 -4.800 -4.925 1.00 0.00 H new ATOM 0 HG2 MET B 501 -17.610 -4.277 -6.970 1.00 0.00 H new ATOM 0 HG3 MET B 501 -18.892 -4.345 -5.777 1.00 0.00 H new ATOM 0 HE1 MET B 501 -15.461 -1.264 -5.957 1.00 0.00 H new ATOM 0 HE2 MET B 501 -15.104 -2.859 -5.254 1.00 0.00 H new ATOM 0 HE3 MET B 501 -15.640 -2.732 -6.946 1.00 0.00 H new ATOM 1972 N THR B 502 -14.685 -6.366 -6.793 1.00 0.00 N ATOM 1973 CA THR B 502 -13.737 -6.058 -7.844 1.00 0.00 C ATOM 1974 C THR B 502 -12.451 -6.870 -7.781 1.00 0.00 C ATOM 1975 O THR B 502 -11.945 -7.205 -6.711 1.00 0.00 O ATOM 1976 CB THR B 502 -13.440 -4.546 -7.841 1.00 0.00 C ATOM 1977 OG1 THR B 502 -14.363 -3.847 -8.688 1.00 0.00 O ATOM 1978 CG2 THR B 502 -12.039 -4.248 -8.287 1.00 0.00 C ATOM 0 H THR B 502 -14.275 -6.589 -5.886 1.00 0.00 H new ATOM 0 HA THR B 502 -14.206 -6.346 -8.785 1.00 0.00 H new ATOM 0 HB THR B 502 -13.553 -4.204 -6.812 1.00 0.00 H new ATOM 0 HG1 THR B 502 -15.202 -4.351 -8.744 1.00 0.00 H new ATOM 0 HG21 THR B 502 -11.873 -3.171 -8.270 1.00 0.00 H new ATOM 0 HG22 THR B 502 -11.332 -4.735 -7.615 1.00 0.00 H new ATOM 0 HG23 THR B 502 -11.893 -4.621 -9.301 1.00 0.00 H new ATOM 1986 N LYS B 503 -11.957 -7.204 -8.968 1.00 0.00 N ATOM 1987 CA LYS B 503 -10.683 -7.841 -9.129 1.00 0.00 C ATOM 1988 C LYS B 503 -9.574 -6.815 -9.297 1.00 0.00 C ATOM 1989 O LYS B 503 -9.552 -6.072 -10.267 1.00 0.00 O ATOM 1990 CB LYS B 503 -10.734 -8.780 -10.325 1.00 0.00 C ATOM 1991 CG LYS B 503 -9.442 -8.845 -11.121 1.00 0.00 C ATOM 1992 CD LYS B 503 -9.345 -10.107 -11.955 1.00 0.00 C ATOM 1993 CE LYS B 503 -10.690 -10.515 -12.532 1.00 0.00 C ATOM 1994 NZ LYS B 503 -11.196 -9.531 -13.524 1.00 0.00 N ATOM 0 H LYS B 503 -12.446 -7.032 -9.847 1.00 0.00 H new ATOM 0 HA LYS B 503 -10.462 -8.417 -8.230 1.00 0.00 H new ATOM 0 HB2 LYS B 503 -10.983 -9.782 -9.976 1.00 0.00 H new ATOM 0 HB3 LYS B 503 -11.540 -8.464 -10.987 1.00 0.00 H new ATOM 0 HG2 LYS B 503 -9.375 -7.974 -11.774 1.00 0.00 H new ATOM 0 HG3 LYS B 503 -8.594 -8.797 -10.438 1.00 0.00 H new ATOM 0 HD2 LYS B 503 -8.635 -9.951 -12.767 1.00 0.00 H new ATOM 0 HD3 LYS B 503 -8.953 -10.918 -11.341 1.00 0.00 H new ATOM 0 HE2 LYS B 503 -10.599 -11.492 -13.006 1.00 0.00 H new ATOM 0 HE3 LYS B 503 -11.414 -10.619 -11.724 1.00 0.00 H new ATOM 0 HZ1 LYS B 503 -12.133 -9.190 -13.228 1.00 0.00 H new ATOM 0 HZ2 LYS B 503 -10.538 -8.728 -13.583 1.00 0.00 H new ATOM 0 HZ3 LYS B 503 -11.272 -9.986 -14.456 1.00 0.00 H new ATOM 2008 N ILE B 504 -8.647 -6.804 -8.357 1.00 0.00 N ATOM 2009 CA ILE B 504 -7.591 -5.828 -8.327 1.00 0.00 C ATOM 2010 C ILE B 504 -6.332 -6.344 -8.958 1.00 0.00 C ATOM 2011 O ILE B 504 -5.603 -7.113 -8.352 1.00 0.00 O ATOM 2012 CB ILE B 504 -7.238 -5.431 -6.904 1.00 0.00 C ATOM 2013 CG1 ILE B 504 -8.478 -4.994 -6.175 1.00 0.00 C ATOM 2014 CG2 ILE B 504 -6.240 -4.310 -6.931 1.00 0.00 C ATOM 2015 CD1 ILE B 504 -8.179 -4.213 -4.929 1.00 0.00 C ATOM 0 H ILE B 504 -8.612 -7.478 -7.592 1.00 0.00 H new ATOM 0 HA ILE B 504 -7.971 -4.972 -8.884 1.00 0.00 H new ATOM 0 HB ILE B 504 -6.805 -6.287 -6.386 1.00 0.00 H new ATOM 0 HG12 ILE B 504 -9.089 -4.385 -6.841 1.00 0.00 H new ATOM 0 HG13 ILE B 504 -9.068 -5.872 -5.914 1.00 0.00 H new ATOM 0 HG21 ILE B 504 -5.986 -4.024 -5.910 1.00 0.00 H new ATOM 0 HG22 ILE B 504 -5.340 -4.637 -7.451 1.00 0.00 H new ATOM 0 HG23 ILE B 504 -6.669 -3.454 -7.451 1.00 0.00 H new ATOM 0 HD11 ILE B 504 -9.113 -3.926 -4.447 1.00 0.00 H new ATOM 0 HD12 ILE B 504 -7.592 -4.828 -4.246 1.00 0.00 H new ATOM 0 HD13 ILE B 504 -7.614 -3.318 -5.188 1.00 0.00 H new ATOM 2027 N PRO B 505 -6.022 -5.864 -10.138 1.00 0.00 N ATOM 2028 CA PRO B 505 -4.824 -6.248 -10.826 1.00 0.00 C ATOM 2029 C PRO B 505 -3.647 -5.519 -10.204 1.00 0.00 C ATOM 2030 O PRO B 505 -3.430 -4.325 -10.433 1.00 0.00 O ATOM 2031 CB PRO B 505 -5.117 -5.813 -12.254 1.00 0.00 C ATOM 2032 CG PRO B 505 -5.995 -4.624 -12.110 1.00 0.00 C ATOM 2033 CD PRO B 505 -6.774 -4.840 -10.854 1.00 0.00 C ATOM 0 HA PRO B 505 -4.566 -7.306 -10.776 1.00 0.00 H new ATOM 0 HB2 PRO B 505 -4.200 -5.566 -12.789 1.00 0.00 H new ATOM 0 HB3 PRO B 505 -5.611 -6.605 -12.816 1.00 0.00 H new ATOM 0 HG2 PRO B 505 -5.406 -3.708 -12.052 1.00 0.00 H new ATOM 0 HG3 PRO B 505 -6.659 -4.522 -12.969 1.00 0.00 H new ATOM 0 HD2 PRO B 505 -6.852 -3.922 -10.271 1.00 0.00 H new ATOM 0 HD3 PRO B 505 -7.791 -5.169 -11.068 1.00 0.00 H new ATOM 2041 N VAL B 506 -2.962 -6.218 -9.320 1.00 0.00 N ATOM 2042 CA VAL B 506 -1.876 -5.625 -8.571 1.00 0.00 C ATOM 2043 C VAL B 506 -0.534 -5.810 -9.267 1.00 0.00 C ATOM 2044 O VAL B 506 -0.412 -6.550 -10.242 1.00 0.00 O ATOM 2045 CB VAL B 506 -1.789 -6.239 -7.167 1.00 0.00 C ATOM 2046 CG1 VAL B 506 -3.101 -6.100 -6.413 1.00 0.00 C ATOM 2047 CG2 VAL B 506 -1.414 -7.686 -7.269 1.00 0.00 C ATOM 0 H VAL B 506 -3.140 -7.199 -9.104 1.00 0.00 H new ATOM 0 HA VAL B 506 -2.090 -4.558 -8.502 1.00 0.00 H new ATOM 0 HB VAL B 506 -1.024 -5.697 -6.611 1.00 0.00 H new ATOM 0 HG11 VAL B 506 -3.001 -6.546 -5.424 1.00 0.00 H new ATOM 0 HG12 VAL B 506 -3.352 -5.044 -6.311 1.00 0.00 H new ATOM 0 HG13 VAL B 506 -3.892 -6.610 -6.963 1.00 0.00 H new ATOM 0 HG21 VAL B 506 -1.353 -8.117 -6.270 1.00 0.00 H new ATOM 0 HG22 VAL B 506 -2.169 -8.217 -7.849 1.00 0.00 H new ATOM 0 HG23 VAL B 506 -0.447 -7.777 -7.763 1.00 0.00 H new ATOM 2057 N ILE B 507 0.460 -5.123 -8.740 1.00 0.00 N ATOM 2058 CA ILE B 507 1.821 -5.179 -9.240 1.00 0.00 C ATOM 2059 C ILE B 507 2.752 -5.511 -8.084 1.00 0.00 C ATOM 2060 O ILE B 507 2.410 -5.267 -6.929 1.00 0.00 O ATOM 2061 CB ILE B 507 2.231 -3.846 -9.892 1.00 0.00 C ATOM 2062 CG1 ILE B 507 2.492 -2.804 -8.839 1.00 0.00 C ATOM 2063 CG2 ILE B 507 1.112 -3.345 -10.775 1.00 0.00 C ATOM 2064 CD1 ILE B 507 3.091 -1.526 -9.371 1.00 0.00 C ATOM 0 H ILE B 507 0.344 -4.501 -7.940 1.00 0.00 H new ATOM 0 HA ILE B 507 1.888 -5.951 -10.006 1.00 0.00 H new ATOM 0 HB ILE B 507 3.135 -4.018 -10.477 1.00 0.00 H new ATOM 0 HG12 ILE B 507 1.555 -2.570 -8.334 1.00 0.00 H new ATOM 0 HG13 ILE B 507 3.163 -3.222 -8.088 1.00 0.00 H new ATOM 0 HG21 ILE B 507 1.406 -2.401 -11.235 1.00 0.00 H new ATOM 0 HG22 ILE B 507 0.906 -4.079 -11.554 1.00 0.00 H new ATOM 0 HG23 ILE B 507 0.215 -3.192 -10.174 1.00 0.00 H new ATOM 0 HD11 ILE B 507 3.248 -0.828 -8.549 1.00 0.00 H new ATOM 0 HD12 ILE B 507 4.046 -1.743 -9.850 1.00 0.00 H new ATOM 0 HD13 ILE B 507 2.413 -1.082 -10.099 1.00 0.00 H new ATOM 2076 N GLU B 508 3.906 -6.078 -8.375 1.00 0.00 N ATOM 2077 CA GLU B 508 4.799 -6.524 -7.317 1.00 0.00 C ATOM 2078 C GLU B 508 5.921 -5.512 -7.079 1.00 0.00 C ATOM 2079 O GLU B 508 6.546 -5.016 -8.019 1.00 0.00 O ATOM 2080 CB GLU B 508 5.337 -7.918 -7.641 1.00 0.00 C ATOM 2081 CG GLU B 508 4.232 -8.951 -7.808 1.00 0.00 C ATOM 2082 CD GLU B 508 4.757 -10.352 -8.036 1.00 0.00 C ATOM 2083 OE1 GLU B 508 5.076 -10.688 -9.191 1.00 0.00 O ATOM 2084 OE2 GLU B 508 4.837 -11.135 -7.068 1.00 0.00 O ATOM 0 H GLU B 508 4.247 -6.241 -9.322 1.00 0.00 H new ATOM 0 HA GLU B 508 4.238 -6.591 -6.385 1.00 0.00 H new ATOM 0 HB2 GLU B 508 5.926 -7.871 -8.557 1.00 0.00 H new ATOM 0 HB3 GLU B 508 6.010 -8.237 -6.845 1.00 0.00 H new ATOM 0 HG2 GLU B 508 3.601 -8.946 -6.919 1.00 0.00 H new ATOM 0 HG3 GLU B 508 3.600 -8.665 -8.649 1.00 0.00 H new ATOM 2091 N ASN B 509 6.142 -5.220 -5.798 1.00 0.00 N ATOM 2092 CA ASN B 509 7.018 -4.132 -5.341 1.00 0.00 C ATOM 2093 C ASN B 509 8.453 -4.268 -5.834 1.00 0.00 C ATOM 2094 O ASN B 509 8.965 -5.374 -6.008 1.00 0.00 O ATOM 2095 CB ASN B 509 7.039 -4.093 -3.811 1.00 0.00 C ATOM 2096 CG ASN B 509 7.869 -5.217 -3.209 1.00 0.00 C ATOM 2097 OD1 ASN B 509 9.051 -5.045 -2.933 1.00 0.00 O ATOM 2098 ND2 ASN B 509 7.259 -6.371 -3.004 1.00 0.00 N ATOM 0 H ASN B 509 5.712 -5.739 -5.033 1.00 0.00 H new ATOM 0 HA ASN B 509 6.607 -3.213 -5.758 1.00 0.00 H new ATOM 0 HB2 ASN B 509 7.439 -3.134 -3.481 1.00 0.00 H new ATOM 0 HB3 ASN B 509 6.018 -4.159 -3.435 1.00 0.00 H new ATOM 0 HD21 ASN B 509 7.773 -7.156 -2.604 1.00 0.00 H new ATOM 0 HD22 ASN B 509 6.274 -6.477 -3.246 1.00 0.00 H new ATOM 2105 N PRO B 510 9.118 -3.124 -6.066 1.00 0.00 N ATOM 2106 CA PRO B 510 10.547 -3.077 -6.355 1.00 0.00 C ATOM 2107 C PRO B 510 11.407 -3.156 -5.090 1.00 0.00 C ATOM 2108 O PRO B 510 12.604 -3.415 -5.175 1.00 0.00 O ATOM 2109 CB PRO B 510 10.742 -1.704 -7.026 1.00 0.00 C ATOM 2110 CG PRO B 510 9.377 -1.111 -7.163 1.00 0.00 C ATOM 2111 CD PRO B 510 8.526 -1.786 -6.131 1.00 0.00 C ATOM 0 HA PRO B 510 10.852 -3.923 -6.971 1.00 0.00 H new ATOM 0 HB2 PRO B 510 11.386 -1.064 -6.423 1.00 0.00 H new ATOM 0 HB3 PRO B 510 11.220 -1.811 -8.000 1.00 0.00 H new ATOM 0 HG2 PRO B 510 9.402 -0.033 -7.003 1.00 0.00 H new ATOM 0 HG3 PRO B 510 8.979 -1.275 -8.164 1.00 0.00 H new ATOM 0 HD2 PRO B 510 8.570 -1.275 -5.169 1.00 0.00 H new ATOM 0 HD3 PRO B 510 7.477 -1.819 -6.427 1.00 0.00 H new ATOM 2119 N GLN B 511 10.792 -2.952 -3.920 1.00 0.00 N ATOM 2120 CA GLN B 511 11.530 -2.865 -2.652 1.00 0.00 C ATOM 2121 C GLN B 511 12.336 -4.129 -2.376 1.00 0.00 C ATOM 2122 O GLN B 511 13.480 -4.066 -1.923 1.00 0.00 O ATOM 2123 CB GLN B 511 10.575 -2.602 -1.481 1.00 0.00 C ATOM 2124 CG GLN B 511 10.175 -1.143 -1.295 1.00 0.00 C ATOM 2125 CD GLN B 511 10.402 -0.295 -2.528 1.00 0.00 C ATOM 2126 OE1 GLN B 511 9.406 -0.217 -3.385 1.00 0.00 O flip ATOM 2127 NE2 GLN B 511 11.467 0.286 -2.707 1.00 0.00 N flip ATOM 0 H GLN B 511 9.782 -2.844 -3.823 1.00 0.00 H new ATOM 0 HA GLN B 511 12.224 -2.030 -2.747 1.00 0.00 H new ATOM 0 HB2 GLN B 511 9.672 -3.195 -1.627 1.00 0.00 H new ATOM 0 HB3 GLN B 511 11.044 -2.955 -0.562 1.00 0.00 H new ATOM 0 HG2 GLN B 511 9.122 -1.095 -1.019 1.00 0.00 H new ATOM 0 HG3 GLN B 511 10.741 -0.722 -0.464 1.00 0.00 H new ATOM 0 HE21 GLN B 511 12.216 0.201 -2.020 1.00 0.00 H new ATOM 0 HE22 GLN B 511 11.604 0.854 -3.543 1.00 0.00 H new HETATM 2136 N PTR B 512 11.733 -5.270 -2.664 1.00 0.00 N HETATM 2137 CA PTR B 512 12.360 -6.564 -2.429 1.00 0.00 C HETATM 2138 C PTR B 512 13.544 -6.799 -3.360 1.00 0.00 C HETATM 2139 O PTR B 512 14.374 -7.669 -3.107 1.00 0.00 O HETATM 2140 CB PTR B 512 11.336 -7.688 -2.622 1.00 0.00 C HETATM 2141 CG PTR B 512 10.325 -7.819 -1.501 1.00 0.00 C HETATM 2142 CD1 PTR B 512 10.135 -6.803 -0.572 1.00 0.00 C HETATM 2143 CD2 PTR B 512 9.565 -8.972 -1.369 1.00 0.00 C HETATM 2144 CE1 PTR B 512 9.228 -6.931 0.447 1.00 0.00 C HETATM 2145 CE2 PTR B 512 8.647 -9.105 -0.347 1.00 0.00 C HETATM 2146 CZ PTR B 512 8.485 -8.082 0.560 1.00 0.00 C HETATM 2147 OH PTR B 512 7.583 -8.214 1.589 1.00 0.00 O HETATM 2148 P PTR B 512 8.011 -9.127 2.860 1.00 0.00 P HETATM 2149 O1P PTR B 512 9.518 -9.077 2.873 1.00 0.00 O HETATM 2150 O2P PTR B 512 7.293 -10.511 2.562 1.00 0.00 O HETATM 2151 O3P PTR B 512 7.474 -8.354 4.052 1.00 0.00 O HETATM 0 HE2 PTR B 512 8.054 -10.015 -0.258 1.00 0.00 H new HETATM 0 HE1 PTR B 512 9.096 -6.122 1.166 1.00 0.00 H new HETATM 0 HD2 PTR B 512 9.695 -9.785 -2.083 1.00 0.00 H new HETATM 0 HD1 PTR B 512 10.719 -5.886 -0.656 1.00 0.00 H new HETATM 0 HB3 PTR B 512 10.802 -7.519 -3.557 1.00 0.00 H new HETATM 0 HB2 PTR B 512 11.869 -8.633 -2.726 1.00 0.00 H new HETATM 0 HA PTR B 512 12.728 -6.565 -1.403 1.00 0.00 H new ATOM 2161 N PHE B 513 13.625 -6.021 -4.429 1.00 0.00 N ATOM 2162 CA PHE B 513 14.623 -6.258 -5.462 1.00 0.00 C ATOM 2163 C PHE B 513 15.662 -5.140 -5.516 1.00 0.00 C ATOM 2164 O PHE B 513 16.833 -5.378 -5.817 1.00 0.00 O ATOM 2165 CB PHE B 513 13.942 -6.404 -6.813 1.00 0.00 C ATOM 2166 CG PHE B 513 12.894 -7.463 -6.842 1.00 0.00 C ATOM 2167 CD1 PHE B 513 13.267 -8.775 -6.988 1.00 0.00 C ATOM 2168 CD2 PHE B 513 11.548 -7.153 -6.734 1.00 0.00 C ATOM 2169 CE1 PHE B 513 12.329 -9.773 -7.028 1.00 0.00 C ATOM 2170 CE2 PHE B 513 10.594 -8.151 -6.772 1.00 0.00 C ATOM 2171 CZ PHE B 513 10.987 -9.468 -6.920 1.00 0.00 C ATOM 0 H PHE B 513 13.014 -5.223 -4.604 1.00 0.00 H new ATOM 0 HA PHE B 513 15.147 -7.181 -5.214 1.00 0.00 H new ATOM 0 HB2 PHE B 513 13.491 -5.451 -7.088 1.00 0.00 H new ATOM 0 HB3 PHE B 513 14.695 -6.630 -7.568 1.00 0.00 H new ATOM 0 HD1 PHE B 513 14.314 -9.025 -7.073 1.00 0.00 H new ATOM 0 HD2 PHE B 513 11.243 -6.123 -6.619 1.00 0.00 H new ATOM 0 HE1 PHE B 513 12.640 -10.801 -7.144 1.00 0.00 H new ATOM 0 HE2 PHE B 513 9.546 -7.904 -6.687 1.00 0.00 H new ATOM 0 HZ PHE B 513 10.248 -10.255 -6.951 1.00 0.00 H new ATOM 2181 N GLY B 514 15.230 -3.922 -5.233 1.00 0.00 N ATOM 2182 CA GLY B 514 16.125 -2.786 -5.276 1.00 0.00 C ATOM 2183 C GLY B 514 15.597 -1.696 -6.185 1.00 0.00 C ATOM 2184 O GLY B 514 14.395 -1.430 -6.204 1.00 0.00 O ATOM 0 H GLY B 514 14.269 -3.699 -4.973 1.00 0.00 H new ATOM 0 HA2 GLY B 514 16.259 -2.389 -4.270 1.00 0.00 H new ATOM 0 HA3 GLY B 514 17.106 -3.108 -5.625 1.00 0.00 H new ATOM 2188 N ILE B 515 16.484 -1.076 -6.949 1.00 0.00 N ATOM 2189 CA ILE B 515 16.086 -0.016 -7.867 1.00 0.00 C ATOM 2190 C ILE B 515 15.619 -0.603 -9.198 1.00 0.00 C ATOM 2191 O ILE B 515 16.474 -0.941 -10.044 1.00 0.00 O ATOM 2192 CB ILE B 515 17.239 0.985 -8.110 1.00 0.00 C ATOM 2193 CG1 ILE B 515 17.712 1.574 -6.776 1.00 0.00 C ATOM 2194 CG2 ILE B 515 16.795 2.093 -9.059 1.00 0.00 C ATOM 2195 CD1 ILE B 515 18.878 2.531 -6.908 1.00 0.00 C ATOM 2196 OXT ILE B 515 14.394 -0.737 -9.394 1.00 0.00 O ATOM 0 H ILE B 515 17.482 -1.287 -6.953 1.00 0.00 H new ATOM 0 HA ILE B 515 15.259 0.522 -7.405 1.00 0.00 H new ATOM 0 HB ILE B 515 18.072 0.455 -8.573 1.00 0.00 H new ATOM 0 HG12 ILE B 515 16.879 2.095 -6.304 1.00 0.00 H new ATOM 0 HG13 ILE B 515 17.997 0.759 -6.111 1.00 0.00 H new ATOM 0 HG21 ILE B 515 17.620 2.788 -9.218 1.00 0.00 H new ATOM 0 HG22 ILE B 515 16.498 1.658 -10.013 1.00 0.00 H new ATOM 0 HG23 ILE B 515 15.949 2.627 -8.625 1.00 0.00 H new ATOM 0 HD11 ILE B 515 19.155 2.905 -5.922 1.00 0.00 H new ATOM 0 HD12 ILE B 515 19.728 2.011 -7.350 1.00 0.00 H new ATOM 0 HD13 ILE B 515 18.592 3.367 -7.546 1.00 0.00 H new TER 2208 ILE B 515