USER MOD reduce.3.24.130724 H: found=0, std=0, add=637, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 640 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 81 SER OG : rot -30:sc= 0.0161 USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 ASN : amide:sc= -0.199 K(o=-0.2,f=-1.8!) USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 107 HIS : no HD1:sc= -0.517 X(o=-0.52,f=-0.027) USER MOD Single : A 109 MET CE :methyl 180:sc= -0.0192 (180deg=-0.0192) USER MOD Single : A 110 THR OG1 : rot -81:sc= 0.861 USER MOD Single : A 111 ASN : amide:sc= -0.262 K(o=-0.26,f=-2.1) USER MOD Single : A 115 LYS NZ :NH3+ 141:sc= 0.911 (180deg=-0.0978) USER MOD Single : A 117 THR OG1 : rot 127:sc= -1.95! USER MOD Single : A 124 MET CE :methyl -111:sc= -0.0526 (180deg=-0.238) USER MOD Single : A 135 GLN : amide:sc= 0 K(o=0,f=-1.3) USER MOD Single : A 137 ASN :FLIP amide:sc= -0.0149! C(o=-2.3!,f=-0.015!) USER MOD Single : A 138 TYR OH : rot 165:sc= -0.436 USER MOD Single : A 143 GLN : amide:sc= -0.242 X(o=-0.24,f=-0.24) USER MOD Single : A 144 MET CE :methyl 179:sc= 0 (180deg=-0.00142) USER MOD Single : A 145 MET CE :methyl 169:sc= -0.0489 (180deg=-0.141) USER MOD Single : B 39 THR OG1 : rot 180:sc= 0 USER MOD Single : B 47 GLN : amide:sc= -2.45! C(o=-2.5!,f=-12!) USER MOD Single : B 48 SER OG : rot 180:sc= 0 USER MOD Single : B 49 GLN : amide:sc= -0.275 X(o=-0.27,f=-0.39) USER MOD Single : B 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 54 GLN :FLIP amide:sc= 0 F(o=-1.3!,f=0) USER MOD Single : B 55 LYS NZ :NH3+ 132:sc= -0.186 (180deg=-1.76!) USER MOD ----------------------------------------------------------------- ATOM 80 N SER A 81 5.966 -8.387 -11.672 1.00 0.00 N ATOM 81 CA SER A 81 6.089 -8.223 -10.226 1.00 0.00 C ATOM 82 C SER A 81 4.785 -7.702 -9.640 1.00 0.00 C ATOM 83 O SER A 81 4.634 -7.599 -8.424 1.00 0.00 O ATOM 84 CB SER A 81 7.226 -7.256 -9.896 1.00 0.00 C ATOM 85 OG SER A 81 6.869 -5.948 -10.320 1.00 0.00 O ATOM 0 HA SER A 81 6.312 -9.196 -9.787 1.00 0.00 H new ATOM 0 HB2 SER A 81 7.424 -7.262 -8.824 1.00 0.00 H new ATOM 0 HB3 SER A 81 8.144 -7.573 -10.391 1.00 0.00 H new ATOM 0 HG SER A 81 6.281 -6.007 -11.102 1.00 0.00 H new ATOM 91 N GLU A 82 3.848 -7.364 -10.512 1.00 0.00 N ATOM 92 CA GLU A 82 2.566 -6.842 -10.066 1.00 0.00 C ATOM 93 C GLU A 82 1.934 -7.807 -9.075 1.00 0.00 C ATOM 94 O GLU A 82 1.344 -7.394 -8.077 1.00 0.00 O ATOM 95 CB GLU A 82 1.641 -6.655 -11.271 1.00 0.00 C ATOM 96 CG GLU A 82 0.312 -6.051 -10.816 1.00 0.00 C ATOM 97 CD GLU A 82 -0.590 -5.804 -12.020 1.00 0.00 C ATOM 98 OE1 GLU A 82 -0.164 -6.099 -13.125 1.00 0.00 O ATOM 99 OE2 GLU A 82 -1.692 -5.322 -11.820 1.00 0.00 O ATOM 0 H GLU A 82 3.949 -7.441 -11.524 1.00 0.00 H new ATOM 0 HA GLU A 82 2.719 -5.880 -9.577 1.00 0.00 H new ATOM 0 HB2 GLU A 82 2.114 -6.004 -12.006 1.00 0.00 H new ATOM 0 HB3 GLU A 82 1.467 -7.614 -11.759 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -0.181 -6.724 -10.114 1.00 0.00 H new ATOM 0 HG3 GLU A 82 0.491 -5.115 -10.288 1.00 0.00 H new ATOM 106 N GLU A 83 2.074 -9.089 -9.355 1.00 0.00 N ATOM 107 CA GLU A 83 1.527 -10.119 -8.482 1.00 0.00 C ATOM 108 C GLU A 83 2.205 -10.078 -7.111 1.00 0.00 C ATOM 109 O GLU A 83 1.569 -10.323 -6.086 1.00 0.00 O ATOM 110 CB GLU A 83 1.762 -11.491 -9.116 1.00 0.00 C ATOM 111 CG GLU A 83 3.267 -11.784 -9.161 1.00 0.00 C ATOM 112 CD GLU A 83 3.530 -13.018 -10.016 1.00 0.00 C ATOM 113 OE1 GLU A 83 2.573 -13.576 -10.528 1.00 0.00 O ATOM 114 OE2 GLU A 83 4.686 -13.389 -10.146 1.00 0.00 O ATOM 0 H GLU A 83 2.560 -9.445 -10.178 1.00 0.00 H new ATOM 0 HA GLU A 83 0.460 -9.940 -8.353 1.00 0.00 H new ATOM 0 HB2 GLU A 83 1.248 -12.262 -8.541 1.00 0.00 H new ATOM 0 HB3 GLU A 83 1.346 -11.514 -10.123 1.00 0.00 H new ATOM 0 HG2 GLU A 83 3.801 -10.927 -9.570 1.00 0.00 H new ATOM 0 HG3 GLU A 83 3.646 -11.943 -8.151 1.00 0.00 H new ATOM 121 N GLU A 84 3.504 -9.777 -7.105 1.00 0.00 N ATOM 122 CA GLU A 84 4.261 -9.720 -5.855 1.00 0.00 C ATOM 123 C GLU A 84 3.710 -8.630 -4.938 1.00 0.00 C ATOM 124 O GLU A 84 3.484 -8.861 -3.750 1.00 0.00 O ATOM 125 CB GLU A 84 5.740 -9.447 -6.158 1.00 0.00 C ATOM 126 CG GLU A 84 6.547 -9.450 -4.856 1.00 0.00 C ATOM 127 CD GLU A 84 8.027 -9.249 -5.161 1.00 0.00 C ATOM 128 OE1 GLU A 84 8.358 -9.115 -6.328 1.00 0.00 O ATOM 129 OE2 GLU A 84 8.808 -9.231 -4.225 1.00 0.00 O ATOM 0 H GLU A 84 4.049 -9.571 -7.942 1.00 0.00 H new ATOM 0 HA GLU A 84 4.165 -10.679 -5.347 1.00 0.00 H new ATOM 0 HB2 GLU A 84 6.127 -10.206 -6.838 1.00 0.00 H new ATOM 0 HB3 GLU A 84 5.846 -8.485 -6.660 1.00 0.00 H new ATOM 0 HG2 GLU A 84 6.192 -8.658 -4.196 1.00 0.00 H new ATOM 0 HG3 GLU A 84 6.400 -10.393 -4.329 1.00 0.00 H new ATOM 136 N ILE A 85 3.485 -7.449 -5.503 1.00 0.00 N ATOM 137 CA ILE A 85 2.946 -6.333 -4.734 1.00 0.00 C ATOM 138 C ILE A 85 1.518 -6.648 -4.302 1.00 0.00 C ATOM 139 O ILE A 85 1.105 -6.333 -3.189 1.00 0.00 O ATOM 140 CB ILE A 85 2.963 -5.050 -5.574 1.00 0.00 C ATOM 141 CG1 ILE A 85 4.410 -4.632 -5.873 1.00 0.00 C ATOM 142 CG2 ILE A 85 2.271 -3.928 -4.794 1.00 0.00 C ATOM 143 CD1 ILE A 85 4.978 -3.802 -4.715 1.00 0.00 C ATOM 0 H ILE A 85 3.666 -7.240 -6.485 1.00 0.00 H new ATOM 0 HA ILE A 85 3.566 -6.182 -3.851 1.00 0.00 H new ATOM 0 HB ILE A 85 2.441 -5.233 -6.513 1.00 0.00 H new ATOM 0 HG12 ILE A 85 5.026 -5.518 -6.030 1.00 0.00 H new ATOM 0 HG13 ILE A 85 4.444 -4.052 -6.795 1.00 0.00 H new ATOM 0 HG21 ILE A 85 2.280 -3.013 -5.387 1.00 0.00 H new ATOM 0 HG22 ILE A 85 1.240 -4.213 -4.583 1.00 0.00 H new ATOM 0 HG23 ILE A 85 2.799 -3.758 -3.856 1.00 0.00 H new ATOM 0 HD11 ILE A 85 6.004 -3.514 -4.943 1.00 0.00 H new ATOM 0 HD12 ILE A 85 4.372 -2.907 -4.577 1.00 0.00 H new ATOM 0 HD13 ILE A 85 4.962 -4.395 -3.800 1.00 0.00 H new ATOM 155 N ARG A 86 0.780 -7.279 -5.208 1.00 0.00 N ATOM 156 CA ARG A 86 -0.606 -7.656 -4.957 1.00 0.00 C ATOM 157 C ARG A 86 -0.711 -8.562 -3.736 1.00 0.00 C ATOM 158 O ARG A 86 -1.641 -8.439 -2.938 1.00 0.00 O ATOM 159 CB ARG A 86 -1.145 -8.385 -6.187 1.00 0.00 C ATOM 160 CG ARG A 86 -2.588 -8.826 -5.953 1.00 0.00 C ATOM 161 CD ARG A 86 -3.155 -9.378 -7.261 1.00 0.00 C ATOM 162 NE ARG A 86 -3.371 -8.297 -8.215 1.00 0.00 N ATOM 163 CZ ARG A 86 -3.838 -8.539 -9.435 1.00 0.00 C ATOM 164 NH1 ARG A 86 -4.109 -9.762 -9.799 1.00 0.00 N ATOM 165 NH2 ARG A 86 -4.027 -7.553 -10.268 1.00 0.00 N ATOM 0 H ARG A 86 1.123 -7.542 -6.132 1.00 0.00 H new ATOM 0 HA ARG A 86 -1.191 -6.757 -4.762 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -1.094 -7.730 -7.057 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -0.523 -9.253 -6.405 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -2.628 -9.587 -5.174 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -3.188 -7.984 -5.607 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -2.468 -10.112 -7.682 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -4.095 -9.895 -7.068 1.00 0.00 H new ATOM 0 HE ARG A 86 -3.160 -7.338 -7.941 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -3.962 -10.533 -9.147 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -4.468 -9.948 -10.736 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -3.816 -6.597 -9.983 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -4.386 -7.738 -11.205 1.00 0.00 H new ATOM 179 N GLU A 87 0.245 -9.470 -3.595 1.00 0.00 N ATOM 180 CA GLU A 87 0.243 -10.393 -2.467 1.00 0.00 C ATOM 181 C GLU A 87 0.252 -9.610 -1.158 1.00 0.00 C ATOM 182 O GLU A 87 -0.433 -9.971 -0.201 1.00 0.00 O ATOM 183 CB GLU A 87 1.473 -11.302 -2.536 1.00 0.00 C ATOM 184 CG GLU A 87 1.436 -12.312 -1.387 1.00 0.00 C ATOM 185 CD GLU A 87 2.624 -13.262 -1.491 1.00 0.00 C ATOM 186 OE1 GLU A 87 3.404 -13.104 -2.414 1.00 0.00 O ATOM 187 OE2 GLU A 87 2.736 -14.134 -0.644 1.00 0.00 O ATOM 0 H GLU A 87 1.026 -9.588 -4.241 1.00 0.00 H new ATOM 0 HA GLU A 87 -0.657 -11.007 -2.510 1.00 0.00 H new ATOM 0 HB2 GLU A 87 1.497 -11.825 -3.492 1.00 0.00 H new ATOM 0 HB3 GLU A 87 2.382 -10.704 -2.478 1.00 0.00 H new ATOM 0 HG2 GLU A 87 1.460 -11.789 -0.431 1.00 0.00 H new ATOM 0 HG3 GLU A 87 0.504 -12.877 -1.418 1.00 0.00 H new ATOM 194 N ALA A 88 1.026 -8.534 -1.129 1.00 0.00 N ATOM 195 CA ALA A 88 1.115 -7.696 0.061 1.00 0.00 C ATOM 196 C ALA A 88 -0.243 -7.090 0.411 1.00 0.00 C ATOM 197 O ALA A 88 -0.603 -7.005 1.584 1.00 0.00 O ATOM 198 CB ALA A 88 2.130 -6.576 -0.168 1.00 0.00 C ATOM 0 H ALA A 88 1.600 -8.221 -1.912 1.00 0.00 H new ATOM 0 HA ALA A 88 1.438 -8.322 0.893 1.00 0.00 H new ATOM 0 HB1 ALA A 88 2.192 -5.953 0.724 1.00 0.00 H new ATOM 0 HB2 ALA A 88 3.108 -7.009 -0.377 1.00 0.00 H new ATOM 0 HB3 ALA A 88 1.814 -5.966 -1.015 1.00 0.00 H new ATOM 204 N PHE A 89 -1.004 -6.688 -0.606 1.00 0.00 N ATOM 205 CA PHE A 89 -2.327 -6.117 -0.364 1.00 0.00 C ATOM 206 C PHE A 89 -3.319 -7.205 0.034 1.00 0.00 C ATOM 207 O PHE A 89 -4.142 -7.014 0.930 1.00 0.00 O ATOM 208 CB PHE A 89 -2.821 -5.379 -1.608 1.00 0.00 C ATOM 209 CG PHE A 89 -2.119 -4.044 -1.697 1.00 0.00 C ATOM 210 CD1 PHE A 89 -2.609 -2.951 -0.971 1.00 0.00 C ATOM 211 CD2 PHE A 89 -0.982 -3.899 -2.498 1.00 0.00 C ATOM 212 CE1 PHE A 89 -1.961 -1.713 -1.047 1.00 0.00 C ATOM 213 CE2 PHE A 89 -0.333 -2.660 -2.575 1.00 0.00 C ATOM 214 CZ PHE A 89 -0.823 -1.567 -1.848 1.00 0.00 C ATOM 0 H PHE A 89 -0.734 -6.745 -1.588 1.00 0.00 H new ATOM 0 HA PHE A 89 -2.249 -5.406 0.458 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -2.621 -5.970 -2.501 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -3.900 -5.235 -1.557 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -3.487 -3.064 -0.352 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -0.604 -4.742 -3.057 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -2.339 -0.870 -0.487 1.00 0.00 H new ATOM 0 HE2 PHE A 89 0.545 -2.547 -3.194 1.00 0.00 H new ATOM 0 HZ PHE A 89 -0.322 -0.612 -1.906 1.00 0.00 H new ATOM 224 N ARG A 90 -3.251 -8.337 -0.659 1.00 0.00 N ATOM 225 CA ARG A 90 -4.169 -9.438 -0.388 1.00 0.00 C ATOM 226 C ARG A 90 -4.218 -9.740 1.105 1.00 0.00 C ATOM 227 O ARG A 90 -5.212 -10.266 1.607 1.00 0.00 O ATOM 228 CB ARG A 90 -3.759 -10.692 -1.165 1.00 0.00 C ATOM 229 CG ARG A 90 -4.137 -10.522 -2.640 1.00 0.00 C ATOM 230 CD ARG A 90 -3.707 -11.761 -3.428 1.00 0.00 C ATOM 231 NE ARG A 90 -4.089 -11.623 -4.829 1.00 0.00 N ATOM 232 CZ ARG A 90 -5.313 -11.943 -5.241 1.00 0.00 C ATOM 233 NH1 ARG A 90 -6.189 -12.401 -4.389 1.00 0.00 N ATOM 234 NH2 ARG A 90 -5.636 -11.802 -6.498 1.00 0.00 N ATOM 0 H ARG A 90 -2.578 -8.516 -1.404 1.00 0.00 H new ATOM 0 HA ARG A 90 -5.163 -9.136 -0.717 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -2.686 -10.858 -1.070 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -4.255 -11.569 -0.750 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -5.213 -10.374 -2.735 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -3.655 -9.634 -3.049 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -2.628 -11.895 -3.349 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -4.171 -12.651 -3.003 1.00 0.00 H new ATOM 0 HE ARG A 90 -3.407 -11.276 -5.503 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -5.935 -12.514 -3.407 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -7.127 -12.646 -4.705 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -4.950 -11.447 -7.164 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -6.574 -12.047 -6.814 1.00 0.00 H new ATOM 248 N VAL A 91 -3.154 -9.389 1.814 1.00 0.00 N ATOM 249 CA VAL A 91 -3.104 -9.610 3.253 1.00 0.00 C ATOM 250 C VAL A 91 -4.198 -8.808 3.958 1.00 0.00 C ATOM 251 O VAL A 91 -4.820 -9.293 4.903 1.00 0.00 O ATOM 252 CB VAL A 91 -1.734 -9.209 3.804 1.00 0.00 C ATOM 253 CG1 VAL A 91 -1.774 -9.228 5.335 1.00 0.00 C ATOM 254 CG2 VAL A 91 -0.681 -10.204 3.311 1.00 0.00 C ATOM 0 H VAL A 91 -2.320 -8.953 1.420 1.00 0.00 H new ATOM 0 HA VAL A 91 -3.268 -10.671 3.441 1.00 0.00 H new ATOM 0 HB VAL A 91 -1.481 -8.206 3.460 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -0.798 -8.942 5.728 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -2.528 -8.524 5.688 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -2.025 -10.231 5.680 1.00 0.00 H new ATOM 0 HG21 VAL A 91 0.297 -9.922 3.701 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -0.936 -11.205 3.659 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -0.653 -10.194 2.221 1.00 0.00 H new ATOM 264 N PHE A 92 -4.426 -7.579 3.499 1.00 0.00 N ATOM 265 CA PHE A 92 -5.446 -6.730 4.106 1.00 0.00 C ATOM 266 C PHE A 92 -6.833 -7.074 3.557 1.00 0.00 C ATOM 267 O PHE A 92 -7.849 -6.743 4.167 1.00 0.00 O ATOM 268 CB PHE A 92 -5.149 -5.255 3.825 1.00 0.00 C ATOM 269 CG PHE A 92 -3.736 -4.914 4.252 1.00 0.00 C ATOM 270 CD1 PHE A 92 -3.335 -5.075 5.584 1.00 0.00 C ATOM 271 CD2 PHE A 92 -2.820 -4.438 3.305 1.00 0.00 C ATOM 272 CE1 PHE A 92 -2.026 -4.762 5.967 1.00 0.00 C ATOM 273 CE2 PHE A 92 -1.513 -4.127 3.689 1.00 0.00 C ATOM 274 CZ PHE A 92 -1.115 -4.288 5.019 1.00 0.00 C ATOM 0 H PHE A 92 -3.925 -7.154 2.719 1.00 0.00 H new ATOM 0 HA PHE A 92 -5.431 -6.906 5.182 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -5.275 -5.047 2.762 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -5.860 -4.625 4.360 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -4.038 -5.442 6.318 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -3.124 -4.311 2.277 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -1.720 -4.887 6.995 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -0.809 -3.761 2.956 1.00 0.00 H new ATOM 0 HZ PHE A 92 -0.105 -4.046 5.314 1.00 0.00 H new ATOM 284 N ASP A 93 -6.867 -7.750 2.409 1.00 0.00 N ATOM 285 CA ASP A 93 -8.140 -8.141 1.804 1.00 0.00 C ATOM 286 C ASP A 93 -8.473 -9.583 2.194 1.00 0.00 C ATOM 287 O ASP A 93 -7.961 -10.523 1.587 1.00 0.00 O ATOM 288 CB ASP A 93 -8.047 -8.038 0.281 1.00 0.00 C ATOM 289 CG ASP A 93 -9.407 -8.326 -0.339 1.00 0.00 C ATOM 290 OD1 ASP A 93 -10.271 -8.796 0.379 1.00 0.00 O ATOM 291 OD2 ASP A 93 -9.564 -8.070 -1.522 1.00 0.00 O ATOM 0 H ASP A 93 -6.040 -8.035 1.885 1.00 0.00 H new ATOM 0 HA ASP A 93 -8.923 -7.474 2.164 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -7.710 -7.042 -0.005 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -7.308 -8.745 -0.096 1.00 0.00 H new ATOM 296 N LYS A 94 -9.301 -9.765 3.223 1.00 0.00 N ATOM 297 CA LYS A 94 -9.649 -11.107 3.689 1.00 0.00 C ATOM 298 C LYS A 94 -10.712 -11.794 2.834 1.00 0.00 C ATOM 299 O LYS A 94 -10.825 -13.021 2.854 1.00 0.00 O ATOM 300 CB LYS A 94 -10.144 -11.028 5.131 1.00 0.00 C ATOM 301 CG LYS A 94 -11.435 -10.208 5.207 1.00 0.00 C ATOM 302 CD LYS A 94 -11.891 -10.125 6.665 1.00 0.00 C ATOM 303 CE LYS A 94 -13.183 -9.313 6.753 1.00 0.00 C ATOM 304 NZ LYS A 94 -13.629 -9.244 8.174 1.00 0.00 N ATOM 0 H LYS A 94 -9.740 -9.007 3.746 1.00 0.00 H new ATOM 0 HA LYS A 94 -8.743 -11.709 3.612 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -10.320 -12.032 5.518 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -9.379 -10.573 5.761 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -11.269 -9.208 4.808 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -12.211 -10.670 4.596 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -12.051 -11.127 7.064 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -11.115 -9.660 7.273 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -13.021 -8.308 6.362 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -13.957 -9.773 6.139 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -14.508 -8.692 8.236 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -13.799 -10.206 8.532 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -12.892 -8.786 8.747 1.00 0.00 H new ATOM 318 N ASP A 95 -11.482 -11.017 2.086 1.00 0.00 N ATOM 319 CA ASP A 95 -12.523 -11.590 1.229 1.00 0.00 C ATOM 320 C ASP A 95 -12.084 -11.558 -0.231 1.00 0.00 C ATOM 321 O ASP A 95 -12.846 -11.905 -1.134 1.00 0.00 O ATOM 322 CB ASP A 95 -13.836 -10.817 1.406 1.00 0.00 C ATOM 323 CG ASP A 95 -13.646 -9.354 1.025 1.00 0.00 C ATOM 324 OD1 ASP A 95 -12.593 -9.029 0.510 1.00 0.00 O ATOM 325 OD2 ASP A 95 -14.560 -8.579 1.256 1.00 0.00 O ATOM 0 H ASP A 95 -11.412 -10.000 2.051 1.00 0.00 H new ATOM 0 HA ASP A 95 -12.684 -12.628 1.520 1.00 0.00 H new ATOM 0 HB2 ASP A 95 -14.614 -11.263 0.786 1.00 0.00 H new ATOM 0 HB3 ASP A 95 -14.172 -10.889 2.441 1.00 0.00 H new ATOM 330 N GLY A 96 -10.842 -11.148 -0.440 1.00 0.00 N ATOM 331 CA GLY A 96 -10.291 -11.082 -1.788 1.00 0.00 C ATOM 332 C GLY A 96 -11.315 -10.468 -2.739 1.00 0.00 C ATOM 333 O GLY A 96 -11.512 -10.955 -3.852 1.00 0.00 O ATOM 0 H GLY A 96 -10.200 -10.858 0.298 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -9.378 -10.486 -1.788 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -10.019 -12.081 -2.128 1.00 0.00 H new ATOM 337 N ASN A 97 -11.974 -9.406 -2.287 1.00 0.00 N ATOM 338 CA ASN A 97 -12.987 -8.740 -3.102 1.00 0.00 C ATOM 339 C ASN A 97 -12.363 -7.638 -3.948 1.00 0.00 C ATOM 340 O ASN A 97 -13.045 -6.984 -4.735 1.00 0.00 O ATOM 341 CB ASN A 97 -14.070 -8.147 -2.200 1.00 0.00 C ATOM 342 CG ASN A 97 -15.320 -7.835 -3.013 1.00 0.00 C ATOM 343 OD1 ASN A 97 -15.602 -8.506 -4.007 1.00 0.00 O ATOM 344 ND2 ASN A 97 -16.098 -6.857 -2.640 1.00 0.00 N ATOM 0 H ASN A 97 -11.827 -8.989 -1.368 1.00 0.00 H new ATOM 0 HA ASN A 97 -13.432 -9.478 -3.769 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -14.312 -8.848 -1.402 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -13.700 -7.238 -1.725 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -16.943 -6.646 -3.172 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -15.862 -6.303 -1.817 1.00 0.00 H new ATOM 351 N GLY A 98 -11.061 -7.445 -3.783 1.00 0.00 N ATOM 352 CA GLY A 98 -10.353 -6.423 -4.541 1.00 0.00 C ATOM 353 C GLY A 98 -10.258 -5.112 -3.767 1.00 0.00 C ATOM 354 O GLY A 98 -9.779 -4.111 -4.297 1.00 0.00 O ATOM 0 H GLY A 98 -10.478 -7.978 -3.137 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -9.351 -6.777 -4.782 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -10.866 -6.251 -5.487 1.00 0.00 H new ATOM 358 N TYR A 99 -10.712 -5.114 -2.514 1.00 0.00 N ATOM 359 CA TYR A 99 -10.660 -3.905 -1.698 1.00 0.00 C ATOM 360 C TYR A 99 -10.202 -4.234 -0.281 1.00 0.00 C ATOM 361 O TYR A 99 -10.347 -5.367 0.181 1.00 0.00 O ATOM 362 CB TYR A 99 -12.041 -3.256 -1.619 1.00 0.00 C ATOM 363 CG TYR A 99 -12.605 -3.050 -3.001 1.00 0.00 C ATOM 364 CD1 TYR A 99 -13.070 -4.148 -3.730 1.00 0.00 C ATOM 365 CD2 TYR A 99 -12.654 -1.767 -3.556 1.00 0.00 C ATOM 366 CE1 TYR A 99 -13.592 -3.966 -5.015 1.00 0.00 C ATOM 367 CE2 TYR A 99 -13.176 -1.583 -4.844 1.00 0.00 C ATOM 368 CZ TYR A 99 -13.644 -2.684 -5.573 1.00 0.00 C ATOM 369 OH TYR A 99 -14.157 -2.503 -6.841 1.00 0.00 O ATOM 0 H TYR A 99 -11.114 -5.928 -2.048 1.00 0.00 H new ATOM 0 HA TYR A 99 -9.953 -3.220 -2.165 1.00 0.00 H new ATOM 0 HB2 TYR A 99 -12.713 -3.886 -1.035 1.00 0.00 H new ATOM 0 HB3 TYR A 99 -11.971 -2.299 -1.102 1.00 0.00 H new ATOM 0 HD1 TYR A 99 -13.026 -5.138 -3.301 1.00 0.00 H new ATOM 0 HD2 TYR A 99 -12.290 -0.920 -2.993 1.00 0.00 H new ATOM 0 HE1 TYR A 99 -13.955 -4.815 -5.576 1.00 0.00 H new ATOM 0 HE2 TYR A 99 -13.217 -0.593 -5.274 1.00 0.00 H new ATOM 0 HH TYR A 99 -14.121 -1.552 -7.076 1.00 0.00 H new ATOM 379 N ILE A 100 -9.688 -3.227 0.419 1.00 0.00 N ATOM 380 CA ILE A 100 -9.255 -3.401 1.801 1.00 0.00 C ATOM 381 C ILE A 100 -9.844 -2.258 2.618 1.00 0.00 C ATOM 382 O ILE A 100 -10.107 -1.184 2.076 1.00 0.00 O ATOM 383 CB ILE A 100 -7.718 -3.386 1.899 1.00 0.00 C ATOM 384 CG1 ILE A 100 -7.217 -1.960 2.120 1.00 0.00 C ATOM 385 CG2 ILE A 100 -7.123 -3.901 0.593 1.00 0.00 C ATOM 386 CD1 ILE A 100 -5.710 -1.904 1.877 1.00 0.00 C ATOM 0 H ILE A 100 -9.561 -2.284 0.052 1.00 0.00 H new ATOM 0 HA ILE A 100 -9.599 -4.363 2.181 1.00 0.00 H new ATOM 0 HB ILE A 100 -7.417 -4.018 2.735 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -7.730 -1.275 1.445 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -7.444 -1.637 3.136 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -6.035 -3.891 0.660 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -7.466 -4.920 0.414 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -7.442 -3.261 -0.229 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -5.354 -0.886 2.035 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -5.205 -2.577 2.570 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -5.495 -2.209 0.853 1.00 0.00 H new ATOM 398 N SER A 101 -10.063 -2.469 3.908 1.00 0.00 N ATOM 399 CA SER A 101 -10.633 -1.409 4.727 1.00 0.00 C ATOM 400 C SER A 101 -9.683 -0.217 4.786 1.00 0.00 C ATOM 401 O SER A 101 -8.510 -0.365 5.109 1.00 0.00 O ATOM 402 CB SER A 101 -10.894 -1.923 6.142 1.00 0.00 C ATOM 403 OG SER A 101 -11.400 -0.860 6.940 1.00 0.00 O ATOM 0 H SER A 101 -9.861 -3.340 4.400 1.00 0.00 H new ATOM 0 HA SER A 101 -11.575 -1.093 4.278 1.00 0.00 H new ATOM 0 HB2 SER A 101 -11.608 -2.746 6.117 1.00 0.00 H new ATOM 0 HB3 SER A 101 -9.973 -2.313 6.576 1.00 0.00 H new ATOM 0 HG SER A 101 -11.571 -1.186 7.848 1.00 0.00 H new ATOM 409 N ALA A 102 -10.197 0.961 4.460 1.00 0.00 N ATOM 410 CA ALA A 102 -9.381 2.170 4.472 1.00 0.00 C ATOM 411 C ALA A 102 -8.840 2.453 5.874 1.00 0.00 C ATOM 412 O ALA A 102 -7.733 2.967 6.026 1.00 0.00 O ATOM 413 CB ALA A 102 -10.199 3.369 3.981 1.00 0.00 C ATOM 0 H ALA A 102 -11.169 1.106 4.186 1.00 0.00 H new ATOM 0 HA ALA A 102 -8.537 2.012 3.801 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -9.577 4.264 3.995 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -10.543 3.183 2.964 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -11.059 3.514 4.634 1.00 0.00 H new ATOM 419 N ALA A 103 -9.640 2.151 6.892 1.00 0.00 N ATOM 420 CA ALA A 103 -9.230 2.422 8.268 1.00 0.00 C ATOM 421 C ALA A 103 -7.927 1.703 8.634 1.00 0.00 C ATOM 422 O ALA A 103 -7.015 2.324 9.179 1.00 0.00 O ATOM 423 CB ALA A 103 -10.335 1.984 9.233 1.00 0.00 C ATOM 0 H ALA A 103 -10.562 1.725 6.795 1.00 0.00 H new ATOM 0 HA ALA A 103 -9.057 3.495 8.351 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -10.025 2.188 10.258 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -11.249 2.536 9.014 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -10.519 0.916 9.115 1.00 0.00 H new ATOM 429 N GLU A 104 -7.837 0.401 8.366 1.00 0.00 N ATOM 430 CA GLU A 104 -6.629 -0.340 8.719 1.00 0.00 C ATOM 431 C GLU A 104 -5.420 0.217 7.981 1.00 0.00 C ATOM 432 O GLU A 104 -4.293 0.117 8.461 1.00 0.00 O ATOM 433 CB GLU A 104 -6.802 -1.821 8.376 1.00 0.00 C ATOM 434 CG GLU A 104 -6.401 -2.076 6.923 1.00 0.00 C ATOM 435 CD GLU A 104 -6.989 -3.400 6.448 1.00 0.00 C ATOM 436 OE1 GLU A 104 -6.833 -4.382 7.156 1.00 0.00 O ATOM 437 OE2 GLU A 104 -7.588 -3.414 5.386 1.00 0.00 O ATOM 0 H GLU A 104 -8.567 -0.151 7.916 1.00 0.00 H new ATOM 0 HA GLU A 104 -6.464 -0.233 9.791 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -6.191 -2.430 9.042 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -7.839 -2.120 8.533 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -6.756 -1.262 6.290 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -5.315 -2.098 6.835 1.00 0.00 H new ATOM 444 N LEU A 105 -5.654 0.801 6.813 1.00 0.00 N ATOM 445 CA LEU A 105 -4.551 1.363 6.039 1.00 0.00 C ATOM 446 C LEU A 105 -3.875 2.463 6.854 1.00 0.00 C ATOM 447 O LEU A 105 -2.657 2.466 7.020 1.00 0.00 O ATOM 448 CB LEU A 105 -5.081 1.948 4.723 1.00 0.00 C ATOM 449 CG LEU A 105 -3.918 2.314 3.792 1.00 0.00 C ATOM 450 CD1 LEU A 105 -3.365 1.056 3.108 1.00 0.00 C ATOM 451 CD2 LEU A 105 -4.412 3.292 2.724 1.00 0.00 C ATOM 0 H LEU A 105 -6.575 0.898 6.387 1.00 0.00 H new ATOM 0 HA LEU A 105 -3.830 0.578 5.813 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -5.733 1.225 4.233 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -5.683 2.833 4.928 1.00 0.00 H new ATOM 0 HG LEU A 105 -3.126 2.775 4.382 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -2.540 1.332 2.451 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -3.008 0.358 3.865 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -4.154 0.584 2.522 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -3.587 3.554 2.061 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -5.209 2.826 2.145 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -4.792 4.194 3.204 1.00 0.00 H new ATOM 463 N ARG A 106 -4.682 3.395 7.356 1.00 0.00 N ATOM 464 CA ARG A 106 -4.147 4.500 8.148 1.00 0.00 C ATOM 465 C ARG A 106 -3.330 3.954 9.310 1.00 0.00 C ATOM 466 O ARG A 106 -2.180 4.343 9.504 1.00 0.00 O ATOM 467 CB ARG A 106 -5.317 5.355 8.668 1.00 0.00 C ATOM 468 CG ARG A 106 -4.858 6.390 9.713 1.00 0.00 C ATOM 469 CD ARG A 106 -3.817 7.335 9.127 1.00 0.00 C ATOM 470 NE ARG A 106 -3.543 8.424 10.058 1.00 0.00 N ATOM 471 CZ ARG A 106 -4.304 9.513 10.084 1.00 0.00 C ATOM 472 NH1 ARG A 106 -5.312 9.625 9.263 1.00 0.00 N ATOM 473 NH2 ARG A 106 -4.040 10.474 10.928 1.00 0.00 N ATOM 0 H ARG A 106 -5.694 3.408 7.231 1.00 0.00 H new ATOM 0 HA ARG A 106 -3.496 5.118 7.530 1.00 0.00 H new ATOM 0 HB2 ARG A 106 -5.789 5.870 7.831 1.00 0.00 H new ATOM 0 HB3 ARG A 106 -6.072 4.705 9.110 1.00 0.00 H new ATOM 0 HG2 ARG A 106 -5.717 6.962 10.064 1.00 0.00 H new ATOM 0 HG3 ARG A 106 -4.441 5.877 10.579 1.00 0.00 H new ATOM 0 HD2 ARG A 106 -2.898 6.789 8.915 1.00 0.00 H new ATOM 0 HD3 ARG A 106 -4.174 7.738 8.179 1.00 0.00 H new ATOM 0 HE ARG A 106 -2.754 8.348 10.700 1.00 0.00 H new ATOM 0 HH11 ARG A 106 -5.516 8.876 8.601 1.00 0.00 H new ATOM 0 HH12 ARG A 106 -5.896 10.461 9.283 1.00 0.00 H new ATOM 0 HH21 ARG A 106 -3.250 10.389 11.567 1.00 0.00 H new ATOM 0 HH22 ARG A 106 -4.624 11.310 10.948 1.00 0.00 H new ATOM 487 N HIS A 107 -3.917 3.045 10.077 1.00 0.00 N ATOM 488 CA HIS A 107 -3.219 2.448 11.209 1.00 0.00 C ATOM 489 C HIS A 107 -1.985 1.663 10.765 1.00 0.00 C ATOM 490 O HIS A 107 -0.904 1.812 11.332 1.00 0.00 O ATOM 491 CB HIS A 107 -4.181 1.514 11.944 1.00 0.00 C ATOM 492 CG HIS A 107 -3.427 0.706 12.960 1.00 0.00 C ATOM 493 ND1 HIS A 107 -2.922 1.258 14.126 1.00 0.00 N ATOM 494 CD2 HIS A 107 -3.085 -0.622 12.991 1.00 0.00 C ATOM 495 CE1 HIS A 107 -2.309 0.272 14.807 1.00 0.00 C ATOM 496 NE2 HIS A 107 -2.379 -0.896 14.160 1.00 0.00 N ATOM 0 H HIS A 107 -4.869 2.706 9.938 1.00 0.00 H new ATOM 0 HA HIS A 107 -2.882 3.249 11.866 1.00 0.00 H new ATOM 0 HB2 HIS A 107 -4.963 2.094 12.434 1.00 0.00 H new ATOM 0 HB3 HIS A 107 -4.675 0.852 11.233 1.00 0.00 H new ATOM 0 HD2 HIS A 107 -3.326 -1.345 12.226 1.00 0.00 H new ATOM 0 HE1 HIS A 107 -1.820 0.408 15.760 1.00 0.00 H new ATOM 0 HE2 HIS A 107 -1.998 -1.794 14.458 1.00 0.00 H new ATOM 505 N VAL A 108 -2.171 0.812 9.764 1.00 0.00 N ATOM 506 CA VAL A 108 -1.093 -0.034 9.252 1.00 0.00 C ATOM 507 C VAL A 108 0.072 0.777 8.684 1.00 0.00 C ATOM 508 O VAL A 108 1.236 0.451 8.922 1.00 0.00 O ATOM 509 CB VAL A 108 -1.651 -0.955 8.165 1.00 0.00 C ATOM 510 CG1 VAL A 108 -0.505 -1.683 7.465 1.00 0.00 C ATOM 511 CG2 VAL A 108 -2.590 -1.983 8.802 1.00 0.00 C ATOM 0 H VAL A 108 -3.063 0.687 9.286 1.00 0.00 H new ATOM 0 HA VAL A 108 -0.704 -0.614 10.089 1.00 0.00 H new ATOM 0 HB VAL A 108 -2.199 -0.359 7.435 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -0.908 -2.337 6.692 1.00 0.00 H new ATOM 0 HG12 VAL A 108 0.165 -0.954 7.010 1.00 0.00 H new ATOM 0 HG13 VAL A 108 0.047 -2.278 8.193 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -2.988 -2.640 8.029 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -2.039 -2.575 9.533 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -3.412 -1.467 9.298 1.00 0.00 H new ATOM 521 N MET A 109 -0.237 1.818 7.926 1.00 0.00 N ATOM 522 CA MET A 109 0.806 2.645 7.325 1.00 0.00 C ATOM 523 C MET A 109 1.600 3.404 8.379 1.00 0.00 C ATOM 524 O MET A 109 2.775 3.701 8.174 1.00 0.00 O ATOM 525 CB MET A 109 0.196 3.648 6.342 1.00 0.00 C ATOM 526 CG MET A 109 0.222 3.061 4.930 1.00 0.00 C ATOM 527 SD MET A 109 -0.350 1.343 4.977 1.00 0.00 S ATOM 528 CE MET A 109 0.344 0.828 3.388 1.00 0.00 C ATOM 0 H MET A 109 -1.190 2.111 7.712 1.00 0.00 H new ATOM 0 HA MET A 109 1.482 1.973 6.797 1.00 0.00 H new ATOM 0 HB2 MET A 109 -0.829 3.880 6.632 1.00 0.00 H new ATOM 0 HB3 MET A 109 0.754 4.584 6.368 1.00 0.00 H new ATOM 0 HG2 MET A 109 -0.415 3.649 4.269 1.00 0.00 H new ATOM 0 HG3 MET A 109 1.233 3.108 4.524 1.00 0.00 H new ATOM 0 HE1 MET A 109 0.106 -0.221 3.210 1.00 0.00 H new ATOM 0 HE2 MET A 109 -0.082 1.437 2.591 1.00 0.00 H new ATOM 0 HE3 MET A 109 1.426 0.957 3.405 1.00 0.00 H new ATOM 538 N THR A 110 0.958 3.737 9.493 1.00 0.00 N ATOM 539 CA THR A 110 1.633 4.493 10.543 1.00 0.00 C ATOM 540 C THR A 110 2.007 3.610 11.736 1.00 0.00 C ATOM 541 O THR A 110 2.687 4.069 12.654 1.00 0.00 O ATOM 542 CB THR A 110 0.717 5.623 11.013 1.00 0.00 C ATOM 543 OG1 THR A 110 -0.430 5.074 11.646 1.00 0.00 O ATOM 544 CG2 THR A 110 0.278 6.444 9.805 1.00 0.00 C ATOM 0 H THR A 110 -0.014 3.500 9.692 1.00 0.00 H new ATOM 0 HA THR A 110 2.557 4.895 10.128 1.00 0.00 H new ATOM 0 HB THR A 110 1.253 6.257 11.719 1.00 0.00 H new ATOM 0 HG1 THR A 110 -1.080 4.800 10.965 1.00 0.00 H new ATOM 0 HG21 THR A 110 -0.376 7.252 10.133 1.00 0.00 H new ATOM 0 HG22 THR A 110 1.155 6.864 9.312 1.00 0.00 H new ATOM 0 HG23 THR A 110 -0.259 5.803 9.106 1.00 0.00 H new ATOM 552 N ASN A 111 1.562 2.354 11.727 1.00 0.00 N ATOM 553 CA ASN A 111 1.867 1.443 12.832 1.00 0.00 C ATOM 554 C ASN A 111 2.888 0.387 12.420 1.00 0.00 C ATOM 555 O ASN A 111 3.828 0.101 13.161 1.00 0.00 O ATOM 556 CB ASN A 111 0.590 0.743 13.307 1.00 0.00 C ATOM 557 CG ASN A 111 0.902 -0.158 14.498 1.00 0.00 C ATOM 558 OD1 ASN A 111 1.114 -1.359 14.330 1.00 0.00 O ATOM 559 ND2 ASN A 111 0.941 0.353 15.698 1.00 0.00 N ATOM 0 H ASN A 111 0.998 1.948 10.980 1.00 0.00 H new ATOM 0 HA ASN A 111 2.289 2.040 13.641 1.00 0.00 H new ATOM 0 HB2 ASN A 111 -0.158 1.484 13.587 1.00 0.00 H new ATOM 0 HB3 ASN A 111 0.165 0.153 12.495 1.00 0.00 H new ATOM 0 HD21 ASN A 111 1.148 -0.243 16.500 1.00 0.00 H new ATOM 0 HD22 ASN A 111 0.765 1.348 15.834 1.00 0.00 H new ATOM 566 N LEU A 112 2.686 -0.205 11.247 1.00 0.00 N ATOM 567 CA LEU A 112 3.586 -1.249 10.763 1.00 0.00 C ATOM 568 C LEU A 112 4.488 -0.739 9.644 1.00 0.00 C ATOM 569 O LEU A 112 4.422 0.423 9.245 1.00 0.00 O ATOM 570 CB LEU A 112 2.773 -2.430 10.225 1.00 0.00 C ATOM 571 CG LEU A 112 1.794 -2.931 11.290 1.00 0.00 C ATOM 572 CD1 LEU A 112 0.985 -4.099 10.719 1.00 0.00 C ATOM 573 CD2 LEU A 112 2.568 -3.403 12.522 1.00 0.00 C ATOM 0 H LEU A 112 1.914 0.017 10.618 1.00 0.00 H new ATOM 0 HA LEU A 112 4.206 -1.559 11.604 1.00 0.00 H new ATOM 0 HB2 LEU A 112 2.226 -2.127 9.332 1.00 0.00 H new ATOM 0 HB3 LEU A 112 3.443 -3.237 9.929 1.00 0.00 H new ATOM 0 HG LEU A 112 1.123 -2.121 11.576 1.00 0.00 H new ATOM 0 HD11 LEU A 112 0.286 -4.460 11.473 1.00 0.00 H new ATOM 0 HD12 LEU A 112 0.432 -3.764 9.842 1.00 0.00 H new ATOM 0 HD13 LEU A 112 1.661 -4.905 10.435 1.00 0.00 H new ATOM 0 HD21 LEU A 112 1.867 -3.759 13.278 1.00 0.00 H new ATOM 0 HD22 LEU A 112 3.241 -4.213 12.241 1.00 0.00 H new ATOM 0 HD23 LEU A 112 3.148 -2.574 12.927 1.00 0.00 H new ATOM 585 N GLY A 113 5.318 -1.647 9.137 1.00 0.00 N ATOM 586 CA GLY A 113 6.232 -1.334 8.046 1.00 0.00 C ATOM 587 C GLY A 113 7.269 -0.281 8.426 1.00 0.00 C ATOM 588 O GLY A 113 8.021 -0.445 9.388 1.00 0.00 O ATOM 0 H GLY A 113 5.375 -2.610 9.468 1.00 0.00 H new ATOM 0 HA2 GLY A 113 6.743 -2.245 7.734 1.00 0.00 H new ATOM 0 HA3 GLY A 113 5.659 -0.980 7.189 1.00 0.00 H new ATOM 592 N GLU A 114 7.313 0.790 7.638 1.00 0.00 N ATOM 593 CA GLU A 114 8.275 1.865 7.864 1.00 0.00 C ATOM 594 C GLU A 114 7.644 3.031 8.612 1.00 0.00 C ATOM 595 O GLU A 114 8.185 4.134 8.623 1.00 0.00 O ATOM 596 CB GLU A 114 8.840 2.354 6.529 1.00 0.00 C ATOM 597 CG GLU A 114 9.683 1.245 5.896 1.00 0.00 C ATOM 598 CD GLU A 114 10.192 1.692 4.530 1.00 0.00 C ATOM 599 OE1 GLU A 114 9.769 2.742 4.077 1.00 0.00 O ATOM 600 OE2 GLU A 114 10.998 0.978 3.957 1.00 0.00 O ATOM 0 H GLU A 114 6.696 0.937 6.839 1.00 0.00 H new ATOM 0 HA GLU A 114 9.082 1.465 8.478 1.00 0.00 H new ATOM 0 HB2 GLU A 114 8.028 2.635 5.859 1.00 0.00 H new ATOM 0 HB3 GLU A 114 9.449 3.245 6.684 1.00 0.00 H new ATOM 0 HG2 GLU A 114 10.524 1.001 6.545 1.00 0.00 H new ATOM 0 HG3 GLU A 114 9.087 0.338 5.792 1.00 0.00 H new ATOM 607 N LYS A 115 6.513 2.768 9.246 1.00 0.00 N ATOM 608 CA LYS A 115 5.816 3.789 10.013 1.00 0.00 C ATOM 609 C LYS A 115 5.749 5.111 9.248 1.00 0.00 C ATOM 610 O LYS A 115 6.730 5.852 9.172 1.00 0.00 O ATOM 611 CB LYS A 115 6.538 3.975 11.338 1.00 0.00 C ATOM 612 CG LYS A 115 6.103 2.886 12.322 1.00 0.00 C ATOM 613 CD LYS A 115 6.843 3.070 13.649 1.00 0.00 C ATOM 614 CE LYS A 115 6.244 2.139 14.706 1.00 0.00 C ATOM 615 NZ LYS A 115 6.423 0.722 14.280 1.00 0.00 N ATOM 0 H LYS A 115 6.057 1.856 9.245 1.00 0.00 H new ATOM 0 HA LYS A 115 4.790 3.467 10.189 1.00 0.00 H new ATOM 0 HB2 LYS A 115 7.616 3.930 11.185 1.00 0.00 H new ATOM 0 HB3 LYS A 115 6.315 4.960 11.749 1.00 0.00 H new ATOM 0 HG2 LYS A 115 5.026 2.937 12.484 1.00 0.00 H new ATOM 0 HG3 LYS A 115 6.317 1.901 11.908 1.00 0.00 H new ATOM 0 HD2 LYS A 115 7.903 2.854 13.518 1.00 0.00 H new ATOM 0 HD3 LYS A 115 6.767 4.106 13.978 1.00 0.00 H new ATOM 0 HE2 LYS A 115 6.729 2.304 15.668 1.00 0.00 H new ATOM 0 HE3 LYS A 115 5.185 2.358 14.841 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 6.659 0.138 15.107 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 5.542 0.374 13.851 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 7.193 0.664 13.584 1.00 0.00 H new ATOM 629 N LEU A 116 4.576 5.411 8.703 1.00 0.00 N ATOM 630 CA LEU A 116 4.384 6.655 7.964 1.00 0.00 C ATOM 631 C LEU A 116 3.768 7.711 8.873 1.00 0.00 C ATOM 632 O LEU A 116 3.094 7.384 9.848 1.00 0.00 O ATOM 633 CB LEU A 116 3.458 6.441 6.755 1.00 0.00 C ATOM 634 CG LEU A 116 4.241 5.905 5.548 1.00 0.00 C ATOM 635 CD1 LEU A 116 5.236 6.954 5.039 1.00 0.00 C ATOM 636 CD2 LEU A 116 5.000 4.643 5.952 1.00 0.00 C ATOM 0 H LEU A 116 3.749 4.816 8.757 1.00 0.00 H new ATOM 0 HA LEU A 116 5.360 6.988 7.611 1.00 0.00 H new ATOM 0 HB2 LEU A 116 2.666 5.740 7.019 1.00 0.00 H new ATOM 0 HB3 LEU A 116 2.976 7.382 6.491 1.00 0.00 H new ATOM 0 HG LEU A 116 3.535 5.675 4.750 1.00 0.00 H new ATOM 0 HD11 LEU A 116 5.781 6.554 4.184 1.00 0.00 H new ATOM 0 HD12 LEU A 116 4.696 7.852 4.738 1.00 0.00 H new ATOM 0 HD13 LEU A 116 5.940 7.203 5.833 1.00 0.00 H new ATOM 0 HD21 LEU A 116 5.556 4.263 5.095 1.00 0.00 H new ATOM 0 HD22 LEU A 116 5.694 4.878 6.759 1.00 0.00 H new ATOM 0 HD23 LEU A 116 4.293 3.886 6.291 1.00 0.00 H new ATOM 648 N THR A 117 3.984 8.975 8.536 1.00 0.00 N ATOM 649 CA THR A 117 3.421 10.066 9.317 1.00 0.00 C ATOM 650 C THR A 117 2.081 10.479 8.721 1.00 0.00 C ATOM 651 O THR A 117 1.710 10.018 7.641 1.00 0.00 O ATOM 652 CB THR A 117 4.377 11.261 9.327 1.00 0.00 C ATOM 653 OG1 THR A 117 4.515 11.763 8.007 1.00 0.00 O ATOM 654 CG2 THR A 117 5.743 10.818 9.853 1.00 0.00 C ATOM 0 H THR A 117 4.541 9.268 7.733 1.00 0.00 H new ATOM 0 HA THR A 117 3.274 9.729 10.343 1.00 0.00 H new ATOM 0 HB THR A 117 3.978 12.043 9.974 1.00 0.00 H new ATOM 0 HG1 THR A 117 4.325 12.724 8.001 1.00 0.00 H new ATOM 0 HG21 THR A 117 6.424 11.669 9.860 1.00 0.00 H new ATOM 0 HG22 THR A 117 5.635 10.432 10.866 1.00 0.00 H new ATOM 0 HG23 THR A 117 6.145 10.037 9.208 1.00 0.00 H new ATOM 662 N ASP A 118 1.349 11.330 9.426 1.00 0.00 N ATOM 663 CA ASP A 118 0.045 11.768 8.944 1.00 0.00 C ATOM 664 C ASP A 118 0.167 12.456 7.586 1.00 0.00 C ATOM 665 O ASP A 118 -0.676 12.263 6.710 1.00 0.00 O ATOM 666 CB ASP A 118 -0.578 12.739 9.948 1.00 0.00 C ATOM 667 CG ASP A 118 -1.015 11.988 11.201 1.00 0.00 C ATOM 668 OD1 ASP A 118 -1.054 10.770 11.154 1.00 0.00 O ATOM 669 OD2 ASP A 118 -1.304 12.643 12.189 1.00 0.00 O ATOM 0 H ASP A 118 1.630 11.727 10.322 1.00 0.00 H new ATOM 0 HA ASP A 118 -0.590 10.889 8.834 1.00 0.00 H new ATOM 0 HB2 ASP A 118 0.142 13.514 10.211 1.00 0.00 H new ATOM 0 HB3 ASP A 118 -1.435 13.240 9.498 1.00 0.00 H new ATOM 674 N GLU A 119 1.211 13.259 7.415 1.00 0.00 N ATOM 675 CA GLU A 119 1.405 13.963 6.151 1.00 0.00 C ATOM 676 C GLU A 119 1.599 12.975 5.001 1.00 0.00 C ATOM 677 O GLU A 119 1.018 13.142 3.931 1.00 0.00 O ATOM 678 CB GLU A 119 2.623 14.886 6.246 1.00 0.00 C ATOM 679 CG GLU A 119 2.323 16.038 7.209 1.00 0.00 C ATOM 680 CD GLU A 119 1.288 16.975 6.596 1.00 0.00 C ATOM 681 OE1 GLU A 119 1.078 16.890 5.397 1.00 0.00 O ATOM 682 OE2 GLU A 119 0.723 17.765 7.333 1.00 0.00 O ATOM 0 H GLU A 119 1.925 13.438 8.121 1.00 0.00 H new ATOM 0 HA GLU A 119 0.513 14.557 5.953 1.00 0.00 H new ATOM 0 HB2 GLU A 119 3.490 14.325 6.594 1.00 0.00 H new ATOM 0 HB3 GLU A 119 2.872 15.279 5.260 1.00 0.00 H new ATOM 0 HG2 GLU A 119 1.953 15.644 8.156 1.00 0.00 H new ATOM 0 HG3 GLU A 119 3.239 16.588 7.428 1.00 0.00 H new ATOM 689 N GLU A 120 2.403 11.938 5.230 1.00 0.00 N ATOM 690 CA GLU A 120 2.639 10.933 4.201 1.00 0.00 C ATOM 691 C GLU A 120 1.379 10.117 3.935 1.00 0.00 C ATOM 692 O GLU A 120 1.049 9.824 2.787 1.00 0.00 O ATOM 693 CB GLU A 120 3.765 9.998 4.636 1.00 0.00 C ATOM 694 CG GLU A 120 5.115 10.665 4.374 1.00 0.00 C ATOM 695 CD GLU A 120 5.036 12.157 4.673 1.00 0.00 C ATOM 696 OE1 GLU A 120 4.692 12.500 5.789 1.00 0.00 O ATOM 697 OE2 GLU A 120 5.322 12.935 3.778 1.00 0.00 O ATOM 0 H GLU A 120 2.895 11.774 6.108 1.00 0.00 H new ATOM 0 HA GLU A 120 2.921 11.448 3.283 1.00 0.00 H new ATOM 0 HB2 GLU A 120 3.665 9.760 5.695 1.00 0.00 H new ATOM 0 HB3 GLU A 120 3.701 9.057 4.090 1.00 0.00 H new ATOM 0 HG2 GLU A 120 5.883 10.203 4.995 1.00 0.00 H new ATOM 0 HG3 GLU A 120 5.409 10.511 3.336 1.00 0.00 H new ATOM 704 N VAL A 121 0.680 9.751 5.005 1.00 0.00 N ATOM 705 CA VAL A 121 -0.540 8.967 4.868 1.00 0.00 C ATOM 706 C VAL A 121 -1.594 9.771 4.113 1.00 0.00 C ATOM 707 O VAL A 121 -2.268 9.256 3.228 1.00 0.00 O ATOM 708 CB VAL A 121 -1.088 8.587 6.243 1.00 0.00 C ATOM 709 CG1 VAL A 121 -2.442 7.907 6.065 1.00 0.00 C ATOM 710 CG2 VAL A 121 -0.123 7.632 6.955 1.00 0.00 C ATOM 0 H VAL A 121 0.934 9.982 5.965 1.00 0.00 H new ATOM 0 HA VAL A 121 -0.304 8.059 4.313 1.00 0.00 H new ATOM 0 HB VAL A 121 -1.198 9.487 6.849 1.00 0.00 H new ATOM 0 HG11 VAL A 121 -2.842 7.632 7.041 1.00 0.00 H new ATOM 0 HG12 VAL A 121 -3.131 8.592 5.571 1.00 0.00 H new ATOM 0 HG13 VAL A 121 -2.322 7.011 5.456 1.00 0.00 H new ATOM 0 HG21 VAL A 121 -0.526 7.370 7.933 1.00 0.00 H new ATOM 0 HG22 VAL A 121 -0.000 6.728 6.359 1.00 0.00 H new ATOM 0 HG23 VAL A 121 0.844 8.119 7.080 1.00 0.00 H new ATOM 720 N ASP A 122 -1.762 11.031 4.487 1.00 0.00 N ATOM 721 CA ASP A 122 -2.773 11.856 3.844 1.00 0.00 C ATOM 722 C ASP A 122 -2.563 11.851 2.336 1.00 0.00 C ATOM 723 O ASP A 122 -3.526 11.802 1.570 1.00 0.00 O ATOM 724 CB ASP A 122 -2.693 13.289 4.376 1.00 0.00 C ATOM 725 CG ASP A 122 -3.213 13.342 5.808 1.00 0.00 C ATOM 726 OD1 ASP A 122 -3.821 12.374 6.234 1.00 0.00 O ATOM 727 OD2 ASP A 122 -2.995 14.351 6.459 1.00 0.00 O ATOM 0 H ASP A 122 -1.223 11.497 5.217 1.00 0.00 H new ATOM 0 HA ASP A 122 -3.759 11.449 4.068 1.00 0.00 H new ATOM 0 HB2 ASP A 122 -1.662 13.642 4.341 1.00 0.00 H new ATOM 0 HB3 ASP A 122 -3.279 13.954 3.742 1.00 0.00 H new ATOM 732 N GLU A 123 -1.306 11.869 1.909 1.00 0.00 N ATOM 733 CA GLU A 123 -1.010 11.830 0.484 1.00 0.00 C ATOM 734 C GLU A 123 -1.539 10.527 -0.102 1.00 0.00 C ATOM 735 O GLU A 123 -2.064 10.494 -1.215 1.00 0.00 O ATOM 736 CB GLU A 123 0.502 11.898 0.248 1.00 0.00 C ATOM 737 CG GLU A 123 1.033 13.271 0.646 1.00 0.00 C ATOM 738 CD GLU A 123 0.542 14.329 -0.336 1.00 0.00 C ATOM 739 OE1 GLU A 123 0.071 13.952 -1.397 1.00 0.00 O ATOM 740 OE2 GLU A 123 0.642 15.501 -0.014 1.00 0.00 O ATOM 0 H GLU A 123 -0.489 11.910 2.518 1.00 0.00 H new ATOM 0 HA GLU A 123 -1.486 12.685 0.004 1.00 0.00 H new ATOM 0 HB2 GLU A 123 1.004 11.123 0.828 1.00 0.00 H new ATOM 0 HB3 GLU A 123 0.723 11.704 -0.802 1.00 0.00 H new ATOM 0 HG2 GLU A 123 0.702 13.519 1.655 1.00 0.00 H new ATOM 0 HG3 GLU A 123 2.123 13.257 0.662 1.00 0.00 H new ATOM 747 N MET A 124 -1.393 9.454 0.671 1.00 0.00 N ATOM 748 CA MET A 124 -1.851 8.136 0.252 1.00 0.00 C ATOM 749 C MET A 124 -3.380 8.070 0.215 1.00 0.00 C ATOM 750 O MET A 124 -3.959 7.478 -0.692 1.00 0.00 O ATOM 751 CB MET A 124 -1.313 7.093 1.232 1.00 0.00 C ATOM 752 CG MET A 124 0.211 7.063 1.138 1.00 0.00 C ATOM 753 SD MET A 124 0.709 5.778 -0.025 1.00 0.00 S ATOM 754 CE MET A 124 0.506 4.390 1.114 1.00 0.00 C ATOM 0 H MET A 124 -0.959 9.474 1.594 1.00 0.00 H new ATOM 0 HA MET A 124 -1.481 7.936 -0.754 1.00 0.00 H new ATOM 0 HB2 MET A 124 -1.623 7.336 2.248 1.00 0.00 H new ATOM 0 HB3 MET A 124 -1.724 6.111 1.000 1.00 0.00 H new ATOM 0 HG2 MET A 124 0.586 8.032 0.810 1.00 0.00 H new ATOM 0 HG3 MET A 124 0.644 6.869 2.119 1.00 0.00 H new ATOM 0 HE1 MET A 124 1.484 3.976 1.361 1.00 0.00 H new ATOM 0 HE2 MET A 124 0.018 4.735 2.025 1.00 0.00 H new ATOM 0 HE3 MET A 124 -0.106 3.620 0.644 1.00 0.00 H new ATOM 764 N ILE A 125 -4.026 8.680 1.210 1.00 0.00 N ATOM 765 CA ILE A 125 -5.488 8.669 1.284 1.00 0.00 C ATOM 766 C ILE A 125 -6.103 9.357 0.069 1.00 0.00 C ATOM 767 O ILE A 125 -7.084 8.876 -0.497 1.00 0.00 O ATOM 768 CB ILE A 125 -5.945 9.344 2.588 1.00 0.00 C ATOM 769 CG1 ILE A 125 -6.284 8.274 3.635 1.00 0.00 C ATOM 770 CG2 ILE A 125 -7.167 10.240 2.358 1.00 0.00 C ATOM 771 CD1 ILE A 125 -5.026 7.472 3.977 1.00 0.00 C ATOM 0 H ILE A 125 -3.566 9.183 1.969 1.00 0.00 H new ATOM 0 HA ILE A 125 -5.832 7.635 1.283 1.00 0.00 H new ATOM 0 HB ILE A 125 -5.127 9.969 2.946 1.00 0.00 H new ATOM 0 HG12 ILE A 125 -6.683 8.744 4.534 1.00 0.00 H new ATOM 0 HG13 ILE A 125 -7.058 7.609 3.252 1.00 0.00 H new ATOM 0 HG21 ILE A 125 -7.463 10.701 3.300 1.00 0.00 H new ATOM 0 HG22 ILE A 125 -6.917 11.018 1.636 1.00 0.00 H new ATOM 0 HG23 ILE A 125 -7.991 9.639 1.973 1.00 0.00 H new ATOM 0 HD11 ILE A 125 -5.269 6.713 4.721 1.00 0.00 H new ATOM 0 HD12 ILE A 125 -4.646 6.989 3.077 1.00 0.00 H new ATOM 0 HD13 ILE A 125 -4.265 8.142 4.378 1.00 0.00 H new ATOM 783 N ARG A 126 -5.520 10.476 -0.328 1.00 0.00 N ATOM 784 CA ARG A 126 -6.016 11.215 -1.482 1.00 0.00 C ATOM 785 C ARG A 126 -5.939 10.346 -2.732 1.00 0.00 C ATOM 786 O ARG A 126 -6.767 10.460 -3.637 1.00 0.00 O ATOM 787 CB ARG A 126 -5.197 12.491 -1.684 1.00 0.00 C ATOM 788 CG ARG A 126 -5.801 13.310 -2.825 1.00 0.00 C ATOM 789 CD ARG A 126 -5.080 14.655 -2.927 1.00 0.00 C ATOM 790 NE ARG A 126 -5.328 15.453 -1.731 1.00 0.00 N ATOM 791 CZ ARG A 126 -4.737 16.630 -1.554 1.00 0.00 C ATOM 792 NH1 ARG A 126 -3.918 17.091 -2.461 1.00 0.00 N ATOM 793 NH2 ARG A 126 -4.973 17.325 -0.476 1.00 0.00 N ATOM 0 H ARG A 126 -4.708 10.892 0.127 1.00 0.00 H new ATOM 0 HA ARG A 126 -7.056 11.488 -1.302 1.00 0.00 H new ATOM 0 HB2 ARG A 126 -5.187 13.079 -0.766 1.00 0.00 H new ATOM 0 HB3 ARG A 126 -4.161 12.239 -1.912 1.00 0.00 H new ATOM 0 HG2 ARG A 126 -5.711 12.765 -3.765 1.00 0.00 H new ATOM 0 HG3 ARG A 126 -6.865 13.468 -2.649 1.00 0.00 H new ATOM 0 HD2 ARG A 126 -4.009 14.493 -3.049 1.00 0.00 H new ATOM 0 HD3 ARG A 126 -5.424 15.194 -3.810 1.00 0.00 H new ATOM 0 HE ARG A 126 -5.967 15.101 -1.018 1.00 0.00 H new ATOM 0 HH11 ARG A 126 -3.733 16.548 -3.304 1.00 0.00 H new ATOM 0 HH12 ARG A 126 -3.464 17.994 -2.326 1.00 0.00 H new ATOM 0 HH21 ARG A 126 -5.612 16.965 0.233 1.00 0.00 H new ATOM 0 HH22 ARG A 126 -4.518 18.228 -0.342 1.00 0.00 H new ATOM 807 N GLU A 127 -4.945 9.470 -2.762 1.00 0.00 N ATOM 808 CA GLU A 127 -4.761 8.565 -3.890 1.00 0.00 C ATOM 809 C GLU A 127 -5.388 7.199 -3.598 1.00 0.00 C ATOM 810 O GLU A 127 -5.289 6.280 -4.410 1.00 0.00 O ATOM 811 CB GLU A 127 -3.269 8.392 -4.184 1.00 0.00 C ATOM 812 CG GLU A 127 -2.650 9.753 -4.515 1.00 0.00 C ATOM 813 CD GLU A 127 -3.235 10.289 -5.817 1.00 0.00 C ATOM 814 OE1 GLU A 127 -3.765 9.496 -6.577 1.00 0.00 O ATOM 815 OE2 GLU A 127 -3.142 11.486 -6.037 1.00 0.00 O ATOM 0 H GLU A 127 -4.254 9.366 -2.019 1.00 0.00 H new ATOM 0 HA GLU A 127 -5.255 8.998 -4.760 1.00 0.00 H new ATOM 0 HB2 GLU A 127 -2.767 7.953 -3.322 1.00 0.00 H new ATOM 0 HB3 GLU A 127 -3.130 7.705 -5.019 1.00 0.00 H new ATOM 0 HG2 GLU A 127 -2.842 10.456 -3.704 1.00 0.00 H new ATOM 0 HG3 GLU A 127 -1.568 9.657 -4.605 1.00 0.00 H new ATOM 822 N ALA A 128 -6.012 7.065 -2.427 1.00 0.00 N ATOM 823 CA ALA A 128 -6.625 5.793 -2.042 1.00 0.00 C ATOM 824 C ALA A 128 -8.102 5.722 -2.443 1.00 0.00 C ATOM 825 O ALA A 128 -8.428 5.172 -3.494 1.00 0.00 O ATOM 826 CB ALA A 128 -6.495 5.596 -0.529 1.00 0.00 C ATOM 0 H ALA A 128 -6.106 7.810 -1.737 1.00 0.00 H new ATOM 0 HA ALA A 128 -6.099 4.999 -2.572 1.00 0.00 H new ATOM 0 HB1 ALA A 128 -6.952 4.648 -0.245 1.00 0.00 H new ATOM 0 HB2 ALA A 128 -5.441 5.588 -0.252 1.00 0.00 H new ATOM 0 HB3 ALA A 128 -6.999 6.412 -0.011 1.00 0.00 H new ATOM 832 N ASP A 129 -8.988 6.275 -1.603 1.00 0.00 N ATOM 833 CA ASP A 129 -10.427 6.250 -1.889 1.00 0.00 C ATOM 834 C ASP A 129 -11.231 6.947 -0.791 1.00 0.00 C ATOM 835 O ASP A 129 -11.271 8.175 -0.709 1.00 0.00 O ATOM 836 CB ASP A 129 -10.921 4.801 -2.001 1.00 0.00 C ATOM 837 CG ASP A 129 -12.433 4.782 -2.198 1.00 0.00 C ATOM 838 OD1 ASP A 129 -12.878 5.199 -3.256 1.00 0.00 O ATOM 839 OD2 ASP A 129 -13.124 4.351 -1.290 1.00 0.00 O ATOM 0 H ASP A 129 -8.737 6.740 -0.730 1.00 0.00 H new ATOM 0 HA ASP A 129 -10.576 6.778 -2.831 1.00 0.00 H new ATOM 0 HB2 ASP A 129 -10.430 4.304 -2.838 1.00 0.00 H new ATOM 0 HB3 ASP A 129 -10.656 4.247 -1.101 1.00 0.00 H new ATOM 844 N ILE A 130 -11.881 6.133 0.039 1.00 0.00 N ATOM 845 CA ILE A 130 -12.708 6.619 1.132 1.00 0.00 C ATOM 846 C ILE A 130 -13.843 7.486 0.613 1.00 0.00 C ATOM 847 O ILE A 130 -14.034 8.612 1.070 1.00 0.00 O ATOM 848 CB ILE A 130 -11.888 7.421 2.135 1.00 0.00 C ATOM 849 CG1 ILE A 130 -10.745 6.559 2.672 1.00 0.00 C ATOM 850 CG2 ILE A 130 -12.799 7.831 3.297 1.00 0.00 C ATOM 851 CD1 ILE A 130 -9.786 7.439 3.475 1.00 0.00 C ATOM 0 H ILE A 130 -11.846 5.116 -0.031 1.00 0.00 H new ATOM 0 HA ILE A 130 -13.121 5.743 1.632 1.00 0.00 H new ATOM 0 HB ILE A 130 -11.474 8.305 1.650 1.00 0.00 H new ATOM 0 HG12 ILE A 130 -11.140 5.762 3.302 1.00 0.00 H new ATOM 0 HG13 ILE A 130 -10.215 6.081 1.848 1.00 0.00 H new ATOM 0 HG21 ILE A 130 -12.225 8.406 4.024 1.00 0.00 H new ATOM 0 HG22 ILE A 130 -13.620 8.440 2.918 1.00 0.00 H new ATOM 0 HG23 ILE A 130 -13.201 6.939 3.777 1.00 0.00 H new ATOM 0 HD11 ILE A 130 -8.969 6.829 3.860 1.00 0.00 H new ATOM 0 HD12 ILE A 130 -9.383 8.220 2.831 1.00 0.00 H new ATOM 0 HD13 ILE A 130 -10.322 7.896 4.307 1.00 0.00 H new ATOM 894 N GLY A 134 -15.442 3.693 3.512 1.00 0.00 N ATOM 895 CA GLY A 134 -14.163 3.551 4.203 1.00 0.00 C ATOM 896 C GLY A 134 -13.360 2.356 3.689 1.00 0.00 C ATOM 897 O GLY A 134 -12.644 1.711 4.454 1.00 0.00 O ATOM 0 HA2 GLY A 134 -13.579 4.462 4.074 1.00 0.00 H new ATOM 0 HA3 GLY A 134 -14.340 3.435 5.272 1.00 0.00 H new ATOM 901 N GLN A 135 -13.466 2.081 2.390 1.00 0.00 N ATOM 902 CA GLN A 135 -12.726 0.974 1.778 1.00 0.00 C ATOM 903 C GLN A 135 -11.752 1.514 0.739 1.00 0.00 C ATOM 904 O GLN A 135 -11.939 2.616 0.224 1.00 0.00 O ATOM 905 CB GLN A 135 -13.685 -0.016 1.114 1.00 0.00 C ATOM 906 CG GLN A 135 -14.824 0.749 0.438 1.00 0.00 C ATOM 907 CD GLN A 135 -15.746 -0.225 -0.287 1.00 0.00 C ATOM 908 OE1 GLN A 135 -15.711 -1.427 -0.025 1.00 0.00 O ATOM 909 NE2 GLN A 135 -16.573 0.225 -1.191 1.00 0.00 N ATOM 0 H GLN A 135 -14.054 2.606 1.742 1.00 0.00 H new ATOM 0 HA GLN A 135 -12.174 0.455 2.561 1.00 0.00 H new ATOM 0 HB2 GLN A 135 -13.151 -0.618 0.379 1.00 0.00 H new ATOM 0 HB3 GLN A 135 -14.087 -0.704 1.858 1.00 0.00 H new ATOM 0 HG2 GLN A 135 -15.388 1.311 1.182 1.00 0.00 H new ATOM 0 HG3 GLN A 135 -14.418 1.473 -0.268 1.00 0.00 H new ATOM 0 HE21 GLN A 135 -16.600 1.222 -1.406 1.00 0.00 H new ATOM 0 HE22 GLN A 135 -17.192 -0.420 -1.682 1.00 0.00 H new ATOM 918 N VAL A 136 -10.708 0.743 0.436 1.00 0.00 N ATOM 919 CA VAL A 136 -9.710 1.164 -0.540 1.00 0.00 C ATOM 920 C VAL A 136 -9.409 0.067 -1.552 1.00 0.00 C ATOM 921 O VAL A 136 -9.136 -1.075 -1.183 1.00 0.00 O ATOM 922 CB VAL A 136 -8.418 1.544 0.180 1.00 0.00 C ATOM 923 CG1 VAL A 136 -7.271 1.611 -0.826 1.00 0.00 C ATOM 924 CG2 VAL A 136 -8.590 2.908 0.842 1.00 0.00 C ATOM 0 H VAL A 136 -10.534 -0.172 0.852 1.00 0.00 H new ATOM 0 HA VAL A 136 -10.115 2.022 -1.077 1.00 0.00 H new ATOM 0 HB VAL A 136 -8.192 0.794 0.938 1.00 0.00 H new ATOM 0 HG11 VAL A 136 -6.350 1.882 -0.310 1.00 0.00 H new ATOM 0 HG12 VAL A 136 -7.147 0.638 -1.302 1.00 0.00 H new ATOM 0 HG13 VAL A 136 -7.496 2.360 -1.585 1.00 0.00 H new ATOM 0 HG21 VAL A 136 -7.669 3.181 1.357 1.00 0.00 H new ATOM 0 HG22 VAL A 136 -8.816 3.655 0.082 1.00 0.00 H new ATOM 0 HG23 VAL A 136 -9.408 2.863 1.561 1.00 0.00 H new ATOM 934 N ASN A 137 -9.434 0.431 -2.829 1.00 0.00 N ATOM 935 CA ASN A 137 -9.133 -0.524 -3.886 1.00 0.00 C ATOM 936 C ASN A 137 -7.622 -0.567 -4.116 1.00 0.00 C ATOM 937 O ASN A 137 -7.042 0.380 -4.643 1.00 0.00 O ATOM 938 CB ASN A 137 -9.845 -0.126 -5.181 1.00 0.00 C ATOM 939 CG ASN A 137 -9.731 1.379 -5.411 1.00 0.00 C ATOM 940 OD1 ASN A 137 -10.809 2.073 -5.651 1.00 0.00 O flip ATOM 941 ND2 ASN A 137 -8.635 1.937 -5.374 1.00 0.00 N flip ATOM 0 H ASN A 137 -9.657 1.372 -3.154 1.00 0.00 H new ATOM 0 HA ASN A 137 -9.485 -1.511 -3.585 1.00 0.00 H new ATOM 0 HB2 ASN A 137 -9.408 -0.663 -6.023 1.00 0.00 H new ATOM 0 HB3 ASN A 137 -10.895 -0.414 -5.129 1.00 0.00 H new ATOM 0 HD21 ASN A 137 -7.792 1.394 -5.186 1.00 0.00 H new ATOM 0 HD22 ASN A 137 -8.569 2.943 -5.531 1.00 0.00 H new ATOM 948 N TYR A 138 -6.980 -1.653 -3.693 1.00 0.00 N ATOM 949 CA TYR A 138 -5.531 -1.763 -3.841 1.00 0.00 C ATOM 950 C TYR A 138 -5.103 -1.806 -5.306 1.00 0.00 C ATOM 951 O TYR A 138 -3.913 -1.721 -5.609 1.00 0.00 O ATOM 952 CB TYR A 138 -4.994 -2.999 -3.112 1.00 0.00 C ATOM 953 CG TYR A 138 -5.634 -4.271 -3.630 1.00 0.00 C ATOM 954 CD1 TYR A 138 -5.142 -4.886 -4.788 1.00 0.00 C ATOM 955 CD2 TYR A 138 -6.690 -4.863 -2.924 1.00 0.00 C ATOM 956 CE1 TYR A 138 -5.704 -6.086 -5.241 1.00 0.00 C ATOM 957 CE2 TYR A 138 -7.256 -6.059 -3.377 1.00 0.00 C ATOM 958 CZ TYR A 138 -6.761 -6.673 -4.536 1.00 0.00 C ATOM 959 OH TYR A 138 -7.310 -7.860 -4.982 1.00 0.00 O ATOM 0 H TYR A 138 -7.430 -2.456 -3.253 1.00 0.00 H new ATOM 0 HA TYR A 138 -5.105 -0.867 -3.390 1.00 0.00 H new ATOM 0 HB2 TYR A 138 -3.913 -3.057 -3.239 1.00 0.00 H new ATOM 0 HB3 TYR A 138 -5.185 -2.904 -2.043 1.00 0.00 H new ATOM 0 HD1 TYR A 138 -4.327 -4.434 -5.333 1.00 0.00 H new ATOM 0 HD2 TYR A 138 -7.068 -4.394 -2.027 1.00 0.00 H new ATOM 0 HE1 TYR A 138 -5.322 -6.558 -6.134 1.00 0.00 H new ATOM 0 HE2 TYR A 138 -8.074 -6.509 -2.834 1.00 0.00 H new ATOM 0 HH TYR A 138 -7.856 -8.255 -4.271 1.00 0.00 H new ATOM 969 N GLU A 139 -6.061 -1.949 -6.211 1.00 0.00 N ATOM 970 CA GLU A 139 -5.720 -2.013 -7.628 1.00 0.00 C ATOM 971 C GLU A 139 -5.010 -0.733 -8.076 1.00 0.00 C ATOM 972 O GLU A 139 -3.964 -0.793 -8.721 1.00 0.00 O ATOM 973 CB GLU A 139 -6.989 -2.214 -8.460 1.00 0.00 C ATOM 974 CG GLU A 139 -7.531 -3.626 -8.232 1.00 0.00 C ATOM 975 CD GLU A 139 -8.884 -3.783 -8.918 1.00 0.00 C ATOM 976 OE1 GLU A 139 -9.445 -2.776 -9.315 1.00 0.00 O ATOM 977 OE2 GLU A 139 -9.338 -4.909 -9.038 1.00 0.00 O ATOM 0 H GLU A 139 -7.056 -2.021 -6.000 1.00 0.00 H new ATOM 0 HA GLU A 139 -5.046 -2.856 -7.780 1.00 0.00 H new ATOM 0 HB2 GLU A 139 -7.740 -1.475 -8.181 1.00 0.00 H new ATOM 0 HB3 GLU A 139 -6.771 -2.063 -9.517 1.00 0.00 H new ATOM 0 HG2 GLU A 139 -6.828 -4.362 -8.623 1.00 0.00 H new ATOM 0 HG3 GLU A 139 -7.631 -3.818 -7.164 1.00 0.00 H new ATOM 984 N GLU A 140 -5.584 0.424 -7.747 1.00 0.00 N ATOM 985 CA GLU A 140 -4.992 1.702 -8.146 1.00 0.00 C ATOM 986 C GLU A 140 -3.602 1.878 -7.536 1.00 0.00 C ATOM 987 O GLU A 140 -2.673 2.307 -8.215 1.00 0.00 O ATOM 988 CB GLU A 140 -5.909 2.852 -7.707 1.00 0.00 C ATOM 989 CG GLU A 140 -5.323 4.203 -8.144 1.00 0.00 C ATOM 990 CD GLU A 140 -5.230 4.268 -9.666 1.00 0.00 C ATOM 991 OE1 GLU A 140 -5.939 3.519 -10.317 1.00 0.00 O ATOM 992 OE2 GLU A 140 -4.453 5.071 -10.156 1.00 0.00 O ATOM 0 H GLU A 140 -6.448 0.504 -7.211 1.00 0.00 H new ATOM 0 HA GLU A 140 -4.888 1.712 -9.231 1.00 0.00 H new ATOM 0 HB2 GLU A 140 -6.900 2.721 -8.141 1.00 0.00 H new ATOM 0 HB3 GLU A 140 -6.031 2.835 -6.624 1.00 0.00 H new ATOM 0 HG2 GLU A 140 -5.949 5.016 -7.775 1.00 0.00 H new ATOM 0 HG3 GLU A 140 -4.334 4.338 -7.706 1.00 0.00 H new ATOM 999 N PHE A 141 -3.466 1.532 -6.261 1.00 0.00 N ATOM 1000 CA PHE A 141 -2.175 1.649 -5.581 1.00 0.00 C ATOM 1001 C PHE A 141 -1.132 0.808 -6.296 1.00 0.00 C ATOM 1002 O PHE A 141 -0.019 1.265 -6.539 1.00 0.00 O ATOM 1003 CB PHE A 141 -2.299 1.176 -4.133 1.00 0.00 C ATOM 1004 CG PHE A 141 -2.514 2.356 -3.220 1.00 0.00 C ATOM 1005 CD1 PHE A 141 -1.493 3.297 -3.069 1.00 0.00 C ATOM 1006 CD2 PHE A 141 -3.712 2.503 -2.511 1.00 0.00 C ATOM 1007 CE1 PHE A 141 -1.663 4.384 -2.207 1.00 0.00 C ATOM 1008 CE2 PHE A 141 -3.881 3.591 -1.652 1.00 0.00 C ATOM 1009 CZ PHE A 141 -2.858 4.529 -1.497 1.00 0.00 C ATOM 0 H PHE A 141 -4.223 1.172 -5.680 1.00 0.00 H new ATOM 0 HA PHE A 141 -1.869 2.695 -5.594 1.00 0.00 H new ATOM 0 HB2 PHE A 141 -3.131 0.478 -4.040 1.00 0.00 H new ATOM 0 HB3 PHE A 141 -1.397 0.638 -3.839 1.00 0.00 H new ATOM 0 HD1 PHE A 141 -0.571 3.185 -3.619 1.00 0.00 H new ATOM 0 HD2 PHE A 141 -4.503 1.777 -2.628 1.00 0.00 H new ATOM 0 HE1 PHE A 141 -0.872 5.110 -2.090 1.00 0.00 H new ATOM 0 HE2 PHE A 141 -4.805 3.707 -1.106 1.00 0.00 H new ATOM 0 HZ PHE A 141 -2.990 5.367 -0.828 1.00 0.00 H new ATOM 1019 N VAL A 142 -1.502 -0.414 -6.646 1.00 0.00 N ATOM 1020 CA VAL A 142 -0.586 -1.296 -7.353 1.00 0.00 C ATOM 1021 C VAL A 142 -0.260 -0.728 -8.729 1.00 0.00 C ATOM 1022 O VAL A 142 0.901 -0.708 -9.138 1.00 0.00 O ATOM 1023 CB VAL A 142 -1.198 -2.689 -7.483 1.00 0.00 C ATOM 1024 CG1 VAL A 142 -0.345 -3.532 -8.430 1.00 0.00 C ATOM 1025 CG2 VAL A 142 -1.241 -3.364 -6.107 1.00 0.00 C ATOM 0 H VAL A 142 -2.420 -0.815 -6.455 1.00 0.00 H new ATOM 0 HA VAL A 142 0.340 -1.372 -6.783 1.00 0.00 H new ATOM 0 HB VAL A 142 -2.210 -2.602 -7.878 1.00 0.00 H new ATOM 0 HG11 VAL A 142 -0.781 -4.527 -8.524 1.00 0.00 H new ATOM 0 HG12 VAL A 142 -0.312 -3.057 -9.410 1.00 0.00 H new ATOM 0 HG13 VAL A 142 0.666 -3.615 -8.032 1.00 0.00 H new ATOM 0 HG21 VAL A 142 -1.678 -4.358 -6.203 1.00 0.00 H new ATOM 0 HG22 VAL A 142 -0.229 -3.449 -5.712 1.00 0.00 H new ATOM 0 HG23 VAL A 142 -1.847 -2.765 -5.427 1.00 0.00 H new ATOM 1035 N GLN A 143 -1.280 -0.248 -9.434 1.00 0.00 N ATOM 1036 CA GLN A 143 -1.058 0.334 -10.749 1.00 0.00 C ATOM 1037 C GLN A 143 -0.150 1.546 -10.602 1.00 0.00 C ATOM 1038 O GLN A 143 0.773 1.756 -11.389 1.00 0.00 O ATOM 1039 CB GLN A 143 -2.392 0.751 -11.373 1.00 0.00 C ATOM 1040 CG GLN A 143 -2.171 1.213 -12.817 1.00 0.00 C ATOM 1041 CD GLN A 143 -1.687 0.048 -13.675 1.00 0.00 C ATOM 1042 OE1 GLN A 143 -0.558 0.062 -14.163 1.00 0.00 O ATOM 1043 NE2 GLN A 143 -2.480 -0.967 -13.887 1.00 0.00 N ATOM 0 H GLN A 143 -2.251 -0.251 -9.122 1.00 0.00 H new ATOM 0 HA GLN A 143 -0.588 -0.402 -11.401 1.00 0.00 H new ATOM 0 HB2 GLN A 143 -3.090 -0.086 -11.353 1.00 0.00 H new ATOM 0 HB3 GLN A 143 -2.841 1.555 -10.790 1.00 0.00 H new ATOM 0 HG2 GLN A 143 -3.099 1.613 -13.225 1.00 0.00 H new ATOM 0 HG3 GLN A 143 -1.439 2.020 -12.840 1.00 0.00 H new ATOM 0 HE21 GLN A 143 -3.416 -0.977 -13.481 1.00 0.00 H new ATOM 0 HE22 GLN A 143 -2.164 -1.751 -14.458 1.00 0.00 H new ATOM 1052 N MET A 144 -0.413 2.323 -9.558 1.00 0.00 N ATOM 1053 CA MET A 144 0.381 3.505 -9.256 1.00 0.00 C ATOM 1054 C MET A 144 1.807 3.096 -8.886 1.00 0.00 C ATOM 1055 O MET A 144 2.774 3.635 -9.422 1.00 0.00 O ATOM 1056 CB MET A 144 -0.302 4.274 -8.115 1.00 0.00 C ATOM 1057 CG MET A 144 0.725 4.965 -7.225 1.00 0.00 C ATOM 1058 SD MET A 144 -0.104 6.244 -6.250 1.00 0.00 S ATOM 1059 CE MET A 144 0.810 5.976 -4.714 1.00 0.00 C ATOM 0 H MET A 144 -1.176 2.153 -8.903 1.00 0.00 H new ATOM 0 HA MET A 144 0.445 4.155 -10.129 1.00 0.00 H new ATOM 0 HB2 MET A 144 -0.985 5.015 -8.530 1.00 0.00 H new ATOM 0 HB3 MET A 144 -0.902 3.587 -7.518 1.00 0.00 H new ATOM 0 HG2 MET A 144 1.201 4.239 -6.566 1.00 0.00 H new ATOM 0 HG3 MET A 144 1.513 5.408 -7.834 1.00 0.00 H new ATOM 0 HE1 MET A 144 0.469 6.684 -3.959 1.00 0.00 H new ATOM 0 HE2 MET A 144 0.639 4.959 -4.361 1.00 0.00 H new ATOM 0 HE3 MET A 144 1.875 6.123 -4.894 1.00 0.00 H new ATOM 1069 N MET A 145 1.934 2.139 -7.973 1.00 0.00 N ATOM 1070 CA MET A 145 3.251 1.671 -7.550 1.00 0.00 C ATOM 1071 C MET A 145 3.983 0.988 -8.702 1.00 0.00 C ATOM 1072 O MET A 145 5.213 0.941 -8.718 1.00 0.00 O ATOM 1073 CB MET A 145 3.115 0.674 -6.385 1.00 0.00 C ATOM 1074 CG MET A 145 3.399 1.354 -5.035 1.00 0.00 C ATOM 1075 SD MET A 145 1.945 2.289 -4.501 1.00 0.00 S ATOM 1076 CE MET A 145 1.692 1.416 -2.936 1.00 0.00 C ATOM 0 H MET A 145 1.150 1.675 -7.515 1.00 0.00 H new ATOM 0 HA MET A 145 3.824 2.540 -7.227 1.00 0.00 H new ATOM 0 HB2 MET A 145 2.110 0.253 -6.379 1.00 0.00 H new ATOM 0 HB3 MET A 145 3.807 -0.156 -6.530 1.00 0.00 H new ATOM 0 HG2 MET A 145 3.655 0.604 -4.287 1.00 0.00 H new ATOM 0 HG3 MET A 145 4.257 2.020 -5.126 1.00 0.00 H new ATOM 0 HE1 MET A 145 0.958 1.952 -2.335 1.00 0.00 H new ATOM 0 HE2 MET A 145 1.330 0.408 -3.136 1.00 0.00 H new ATOM 0 HE3 MET A 145 2.636 1.361 -2.393 1.00 0.00 H new ATOM 1214 N ASP B 35 0.698 -10.087 14.326 1.00 0.00 N ATOM 1215 CA ASP B 35 1.760 -10.882 14.930 1.00 0.00 C ATOM 1216 C ASP B 35 2.541 -11.647 13.866 1.00 0.00 C ATOM 1217 O ASP B 35 3.766 -11.751 13.945 1.00 0.00 O ATOM 1218 CB ASP B 35 1.165 -11.871 15.933 1.00 0.00 C ATOM 1219 CG ASP B 35 2.281 -12.633 16.640 1.00 0.00 C ATOM 1220 OD1 ASP B 35 3.420 -12.492 16.228 1.00 0.00 O ATOM 1221 OD2 ASP B 35 1.979 -13.345 17.584 1.00 0.00 O ATOM 0 HA ASP B 35 2.442 -10.204 15.443 1.00 0.00 H new ATOM 0 HB2 ASP B 35 0.557 -11.338 16.664 1.00 0.00 H new ATOM 0 HB3 ASP B 35 0.505 -12.570 15.419 1.00 0.00 H new ATOM 1226 N ALA B 36 1.840 -12.180 12.873 1.00 0.00 N ATOM 1227 CA ALA B 36 2.507 -12.926 11.813 1.00 0.00 C ATOM 1228 C ALA B 36 3.506 -12.014 11.085 1.00 0.00 C ATOM 1229 O ALA B 36 3.194 -10.854 10.817 1.00 0.00 O ATOM 1230 CB ALA B 36 1.474 -13.454 10.816 1.00 0.00 C ATOM 0 H ALA B 36 0.827 -12.112 12.779 1.00 0.00 H new ATOM 0 HA ALA B 36 3.041 -13.768 12.254 1.00 0.00 H new ATOM 0 HB1 ALA B 36 1.981 -14.010 10.027 1.00 0.00 H new ATOM 0 HB2 ALA B 36 0.774 -14.112 11.331 1.00 0.00 H new ATOM 0 HB3 ALA B 36 0.930 -12.617 10.378 1.00 0.00 H new ATOM 1236 N PRO B 37 4.694 -12.489 10.773 1.00 0.00 N ATOM 1237 CA PRO B 37 5.726 -11.659 10.082 1.00 0.00 C ATOM 1238 C PRO B 37 5.355 -11.332 8.639 1.00 0.00 C ATOM 1239 O PRO B 37 5.865 -10.371 8.063 1.00 0.00 O ATOM 1240 CB PRO B 37 6.989 -12.512 10.142 1.00 0.00 C ATOM 1241 CG PRO B 37 6.494 -13.906 10.232 1.00 0.00 C ATOM 1242 CD PRO B 37 5.194 -13.850 11.028 1.00 0.00 C ATOM 0 HA PRO B 37 5.840 -10.687 10.561 1.00 0.00 H new ATOM 0 HB2 PRO B 37 7.608 -12.367 9.256 1.00 0.00 H new ATOM 0 HB3 PRO B 37 7.602 -12.252 11.005 1.00 0.00 H new ATOM 0 HG2 PRO B 37 6.324 -14.323 9.239 1.00 0.00 H new ATOM 0 HG3 PRO B 37 7.225 -14.547 10.726 1.00 0.00 H new ATOM 0 HD2 PRO B 37 4.485 -14.607 10.693 1.00 0.00 H new ATOM 0 HD3 PRO B 37 5.366 -14.022 12.090 1.00 0.00 H new ATOM 1250 N GLU B 38 4.478 -12.141 8.058 1.00 0.00 N ATOM 1251 CA GLU B 38 4.063 -11.924 6.677 1.00 0.00 C ATOM 1252 C GLU B 38 3.357 -10.581 6.522 1.00 0.00 C ATOM 1253 O GLU B 38 3.582 -9.863 5.548 1.00 0.00 O ATOM 1254 CB GLU B 38 3.123 -13.047 6.233 1.00 0.00 C ATOM 1255 CG GLU B 38 3.899 -14.364 6.147 1.00 0.00 C ATOM 1256 CD GLU B 38 4.878 -14.317 4.980 1.00 0.00 C ATOM 1257 OE1 GLU B 38 4.717 -13.457 4.130 1.00 0.00 O ATOM 1258 OE2 GLU B 38 5.778 -15.141 4.953 1.00 0.00 O ATOM 0 H GLU B 38 4.045 -12.944 8.514 1.00 0.00 H new ATOM 0 HA GLU B 38 4.956 -11.922 6.052 1.00 0.00 H new ATOM 0 HB2 GLU B 38 2.298 -13.145 6.939 1.00 0.00 H new ATOM 0 HB3 GLU B 38 2.686 -12.807 5.264 1.00 0.00 H new ATOM 0 HG2 GLU B 38 4.438 -14.539 7.078 1.00 0.00 H new ATOM 0 HG3 GLU B 38 3.207 -15.196 6.018 1.00 0.00 H new ATOM 1265 N THR B 39 2.502 -10.245 7.483 1.00 0.00 N ATOM 1266 CA THR B 39 1.776 -8.982 7.426 1.00 0.00 C ATOM 1267 C THR B 39 2.738 -7.805 7.528 1.00 0.00 C ATOM 1268 O THR B 39 2.634 -6.839 6.772 1.00 0.00 O ATOM 1269 CB THR B 39 0.751 -8.908 8.561 1.00 0.00 C ATOM 1270 OG1 THR B 39 -0.163 -9.989 8.439 1.00 0.00 O ATOM 1271 CG2 THR B 39 -0.016 -7.588 8.472 1.00 0.00 C ATOM 0 H THR B 39 2.297 -10.821 8.300 1.00 0.00 H new ATOM 0 HA THR B 39 1.257 -8.931 6.469 1.00 0.00 H new ATOM 0 HB THR B 39 1.266 -8.967 9.520 1.00 0.00 H new ATOM 0 HG1 THR B 39 -0.820 -9.946 9.165 1.00 0.00 H new ATOM 0 HG21 THR B 39 -0.746 -7.536 9.280 1.00 0.00 H new ATOM 0 HG22 THR B 39 0.682 -6.755 8.559 1.00 0.00 H new ATOM 0 HG23 THR B 39 -0.532 -7.531 7.513 1.00 0.00 H new ATOM 1279 N GLU B 40 3.676 -7.892 8.466 1.00 0.00 N ATOM 1280 CA GLU B 40 4.650 -6.824 8.654 1.00 0.00 C ATOM 1281 C GLU B 40 5.521 -6.673 7.412 1.00 0.00 C ATOM 1282 O GLU B 40 5.826 -5.559 6.987 1.00 0.00 O ATOM 1283 CB GLU B 40 5.532 -7.130 9.865 1.00 0.00 C ATOM 1284 CG GLU B 40 4.706 -6.993 11.146 1.00 0.00 C ATOM 1285 CD GLU B 40 5.523 -7.457 12.346 1.00 0.00 C ATOM 1286 OE1 GLU B 40 6.561 -8.062 12.132 1.00 0.00 O ATOM 1287 OE2 GLU B 40 5.099 -7.203 13.461 1.00 0.00 O ATOM 0 H GLU B 40 3.782 -8.683 9.102 1.00 0.00 H new ATOM 0 HA GLU B 40 4.113 -5.891 8.824 1.00 0.00 H new ATOM 0 HB2 GLU B 40 5.937 -8.139 9.787 1.00 0.00 H new ATOM 0 HB3 GLU B 40 6.381 -6.447 9.892 1.00 0.00 H new ATOM 0 HG2 GLU B 40 4.401 -5.955 11.283 1.00 0.00 H new ATOM 0 HG3 GLU B 40 3.794 -7.585 11.066 1.00 0.00 H new ATOM 1294 N ARG B 41 5.914 -7.803 6.831 1.00 0.00 N ATOM 1295 CA ARG B 41 6.745 -7.781 5.635 1.00 0.00 C ATOM 1296 C ARG B 41 5.990 -7.135 4.479 1.00 0.00 C ATOM 1297 O ARG B 41 6.557 -6.363 3.706 1.00 0.00 O ATOM 1298 CB ARG B 41 7.143 -9.211 5.251 1.00 0.00 C ATOM 1299 CG ARG B 41 8.140 -9.775 6.272 1.00 0.00 C ATOM 1300 CD ARG B 41 9.571 -9.379 5.890 1.00 0.00 C ATOM 1301 NE ARG B 41 9.965 -10.049 4.657 1.00 0.00 N ATOM 1302 CZ ARG B 41 11.120 -9.772 4.062 1.00 0.00 C ATOM 1303 NH1 ARG B 41 11.922 -8.882 4.578 1.00 0.00 N ATOM 1304 NH2 ARG B 41 11.451 -10.387 2.960 1.00 0.00 N ATOM 0 H ARG B 41 5.673 -8.736 7.166 1.00 0.00 H new ATOM 0 HA ARG B 41 7.642 -7.198 5.844 1.00 0.00 H new ATOM 0 HB2 ARG B 41 6.257 -9.844 5.209 1.00 0.00 H new ATOM 0 HB3 ARG B 41 7.587 -9.218 4.256 1.00 0.00 H new ATOM 0 HG2 ARG B 41 7.904 -9.399 7.267 1.00 0.00 H new ATOM 0 HG3 ARG B 41 8.054 -10.861 6.313 1.00 0.00 H new ATOM 0 HD2 ARG B 41 9.636 -8.298 5.762 1.00 0.00 H new ATOM 0 HD3 ARG B 41 10.257 -9.647 6.693 1.00 0.00 H new ATOM 0 HE ARG B 41 9.343 -10.743 4.243 1.00 0.00 H new ATOM 0 HH11 ARG B 41 11.662 -8.399 5.438 1.00 0.00 H new ATOM 0 HH12 ARG B 41 12.809 -8.669 4.121 1.00 0.00 H new ATOM 0 HH21 ARG B 41 10.823 -11.081 2.555 1.00 0.00 H new ATOM 0 HH22 ARG B 41 12.338 -10.174 2.504 1.00 0.00 H new ATOM 1318 N ALA B 42 4.704 -7.454 4.372 1.00 0.00 N ATOM 1319 CA ALA B 42 3.874 -6.897 3.312 1.00 0.00 C ATOM 1320 C ALA B 42 3.789 -5.381 3.444 1.00 0.00 C ATOM 1321 O ALA B 42 3.828 -4.657 2.449 1.00 0.00 O ATOM 1322 CB ALA B 42 2.469 -7.499 3.376 1.00 0.00 C ATOM 0 H ALA B 42 4.217 -8.091 5.002 1.00 0.00 H new ATOM 0 HA ALA B 42 4.328 -7.143 2.352 1.00 0.00 H new ATOM 0 HB1 ALA B 42 1.856 -7.077 2.580 1.00 0.00 H new ATOM 0 HB2 ALA B 42 2.530 -8.580 3.252 1.00 0.00 H new ATOM 0 HB3 ALA B 42 2.018 -7.270 4.342 1.00 0.00 H new ATOM 1328 N ALA B 43 3.674 -4.911 4.681 1.00 0.00 N ATOM 1329 CA ALA B 43 3.584 -3.479 4.940 1.00 0.00 C ATOM 1330 C ALA B 43 4.844 -2.769 4.454 1.00 0.00 C ATOM 1331 O ALA B 43 4.775 -1.669 3.904 1.00 0.00 O ATOM 1332 CB ALA B 43 3.408 -3.233 6.441 1.00 0.00 C ATOM 0 H ALA B 43 3.641 -5.497 5.516 1.00 0.00 H new ATOM 0 HA ALA B 43 2.724 -3.082 4.401 1.00 0.00 H new ATOM 0 HB1 ALA B 43 3.341 -2.161 6.629 1.00 0.00 H new ATOM 0 HB2 ALA B 43 2.495 -3.719 6.785 1.00 0.00 H new ATOM 0 HB3 ALA B 43 4.262 -3.643 6.980 1.00 0.00 H new ATOM 1338 N VAL B 44 5.992 -3.402 4.670 1.00 0.00 N ATOM 1339 CA VAL B 44 7.266 -2.822 4.259 1.00 0.00 C ATOM 1340 C VAL B 44 7.328 -2.624 2.747 1.00 0.00 C ATOM 1341 O VAL B 44 7.757 -1.573 2.270 1.00 0.00 O ATOM 1342 CB VAL B 44 8.417 -3.733 4.694 1.00 0.00 C ATOM 1343 CG1 VAL B 44 9.721 -3.244 4.064 1.00 0.00 C ATOM 1344 CG2 VAL B 44 8.547 -3.701 6.218 1.00 0.00 C ATOM 0 H VAL B 44 6.067 -4.312 5.125 1.00 0.00 H new ATOM 0 HA VAL B 44 7.357 -1.848 4.739 1.00 0.00 H new ATOM 0 HB VAL B 44 8.214 -4.753 4.367 1.00 0.00 H new ATOM 0 HG11 VAL B 44 10.540 -3.893 4.374 1.00 0.00 H new ATOM 0 HG12 VAL B 44 9.631 -3.266 2.978 1.00 0.00 H new ATOM 0 HG13 VAL B 44 9.923 -2.224 4.390 1.00 0.00 H new ATOM 0 HG21 VAL B 44 9.367 -4.350 6.527 1.00 0.00 H new ATOM 0 HG22 VAL B 44 8.749 -2.681 6.545 1.00 0.00 H new ATOM 0 HG23 VAL B 44 7.618 -4.050 6.670 1.00 0.00 H new ATOM 1354 N ALA B 45 6.918 -3.640 1.994 1.00 0.00 N ATOM 1355 CA ALA B 45 6.958 -3.553 0.537 1.00 0.00 C ATOM 1356 C ALA B 45 6.078 -2.416 0.029 1.00 0.00 C ATOM 1357 O ALA B 45 6.501 -1.628 -0.814 1.00 0.00 O ATOM 1358 CB ALA B 45 6.485 -4.873 -0.075 1.00 0.00 C ATOM 0 H ALA B 45 6.559 -4.521 2.361 1.00 0.00 H new ATOM 0 HA ALA B 45 7.987 -3.354 0.239 1.00 0.00 H new ATOM 0 HB1 ALA B 45 6.517 -4.802 -1.162 1.00 0.00 H new ATOM 0 HB2 ALA B 45 7.137 -5.682 0.255 1.00 0.00 H new ATOM 0 HB3 ALA B 45 5.463 -5.077 0.245 1.00 0.00 H new ATOM 1364 N ILE B 46 4.860 -2.328 0.546 1.00 0.00 N ATOM 1365 CA ILE B 46 3.949 -1.272 0.126 1.00 0.00 C ATOM 1366 C ILE B 46 4.479 0.099 0.535 1.00 0.00 C ATOM 1367 O ILE B 46 4.499 1.032 -0.267 1.00 0.00 O ATOM 1368 CB ILE B 46 2.570 -1.507 0.737 1.00 0.00 C ATOM 1369 CG1 ILE B 46 1.955 -2.756 0.105 1.00 0.00 C ATOM 1370 CG2 ILE B 46 1.673 -0.297 0.462 1.00 0.00 C ATOM 1371 CD1 ILE B 46 0.719 -3.175 0.896 1.00 0.00 C ATOM 0 H ILE B 46 4.483 -2.966 1.247 1.00 0.00 H new ATOM 0 HA ILE B 46 3.870 -1.294 -0.961 1.00 0.00 H new ATOM 0 HB ILE B 46 2.662 -1.645 1.814 1.00 0.00 H new ATOM 0 HG12 ILE B 46 1.685 -2.556 -0.932 1.00 0.00 H new ATOM 0 HG13 ILE B 46 2.684 -3.566 0.094 1.00 0.00 H new ATOM 0 HG21 ILE B 46 0.689 -0.467 0.899 1.00 0.00 H new ATOM 0 HG22 ILE B 46 2.118 0.594 0.905 1.00 0.00 H new ATOM 0 HG23 ILE B 46 1.573 -0.156 -0.614 1.00 0.00 H new ATOM 0 HD11 ILE B 46 0.282 -4.065 0.444 1.00 0.00 H new ATOM 0 HD12 ILE B 46 1.003 -3.393 1.926 1.00 0.00 H new ATOM 0 HD13 ILE B 46 -0.012 -2.366 0.884 1.00 0.00 H new ATOM 1383 N GLN B 47 4.907 0.209 1.788 1.00 0.00 N ATOM 1384 CA GLN B 47 5.436 1.467 2.301 1.00 0.00 C ATOM 1385 C GLN B 47 6.737 1.848 1.601 1.00 0.00 C ATOM 1386 O GLN B 47 6.960 3.017 1.285 1.00 0.00 O ATOM 1387 CB GLN B 47 5.666 1.353 3.806 1.00 0.00 C ATOM 1388 CG GLN B 47 4.313 1.301 4.517 1.00 0.00 C ATOM 1389 CD GLN B 47 4.510 1.194 6.024 1.00 0.00 C ATOM 1390 OE1 GLN B 47 5.383 1.857 6.585 1.00 0.00 O ATOM 1391 NE2 GLN B 47 3.746 0.395 6.715 1.00 0.00 N ATOM 0 H GLN B 47 4.898 -0.554 2.464 1.00 0.00 H new ATOM 0 HA GLN B 47 4.706 2.251 2.101 1.00 0.00 H new ATOM 0 HB2 GLN B 47 6.244 0.457 4.031 1.00 0.00 H new ATOM 0 HB3 GLN B 47 6.246 2.204 4.163 1.00 0.00 H new ATOM 0 HG2 GLN B 47 3.736 2.196 4.282 1.00 0.00 H new ATOM 0 HG3 GLN B 47 3.738 0.448 4.157 1.00 0.00 H new ATOM 0 HE21 GLN B 47 3.024 -0.152 6.246 1.00 0.00 H new ATOM 0 HE22 GLN B 47 3.870 0.317 7.724 1.00 0.00 H new ATOM 1400 N SER B 48 7.593 0.860 1.362 1.00 0.00 N ATOM 1401 CA SER B 48 8.867 1.116 0.700 1.00 0.00 C ATOM 1402 C SER B 48 8.643 1.660 -0.707 1.00 0.00 C ATOM 1403 O SER B 48 9.282 2.626 -1.122 1.00 0.00 O ATOM 1404 CB SER B 48 9.683 -0.174 0.625 1.00 0.00 C ATOM 1405 OG SER B 48 10.917 0.088 -0.030 1.00 0.00 O ATOM 0 H SER B 48 7.431 -0.115 1.614 1.00 0.00 H new ATOM 0 HA SER B 48 9.413 1.860 1.281 1.00 0.00 H new ATOM 0 HB2 SER B 48 9.865 -0.561 1.627 1.00 0.00 H new ATOM 0 HB3 SER B 48 9.126 -0.939 0.084 1.00 0.00 H new ATOM 0 HG SER B 48 11.443 -0.737 -0.078 1.00 0.00 H new ATOM 1411 N GLN B 49 7.730 1.027 -1.435 1.00 0.00 N ATOM 1412 CA GLN B 49 7.421 1.446 -2.797 1.00 0.00 C ATOM 1413 C GLN B 49 6.803 2.842 -2.818 1.00 0.00 C ATOM 1414 O GLN B 49 7.090 3.638 -3.712 1.00 0.00 O ATOM 1415 CB GLN B 49 6.468 0.439 -3.449 1.00 0.00 C ATOM 1416 CG GLN B 49 7.206 -0.879 -3.709 1.00 0.00 C ATOM 1417 CD GLN B 49 8.283 -0.686 -4.773 1.00 0.00 C ATOM 1418 OE1 GLN B 49 8.001 -0.172 -5.856 1.00 0.00 O ATOM 1419 NE2 GLN B 49 9.507 -1.066 -4.527 1.00 0.00 N ATOM 0 H GLN B 49 7.193 0.225 -1.106 1.00 0.00 H new ATOM 0 HA GLN B 49 8.352 1.481 -3.362 1.00 0.00 H new ATOM 0 HB2 GLN B 49 5.609 0.264 -2.801 1.00 0.00 H new ATOM 0 HB3 GLN B 49 6.083 0.842 -4.386 1.00 0.00 H new ATOM 0 HG2 GLN B 49 7.659 -1.238 -2.785 1.00 0.00 H new ATOM 0 HG3 GLN B 49 6.498 -1.642 -4.034 1.00 0.00 H new ATOM 0 HE21 GLN B 49 9.738 -1.491 -3.629 1.00 0.00 H new ATOM 0 HE22 GLN B 49 10.232 -0.937 -5.232 1.00 0.00 H new ATOM 1428 N PHE B 50 5.954 3.139 -1.836 1.00 0.00 N ATOM 1429 CA PHE B 50 5.314 4.450 -1.778 1.00 0.00 C ATOM 1430 C PHE B 50 6.363 5.552 -1.707 1.00 0.00 C ATOM 1431 O PHE B 50 6.302 6.525 -2.458 1.00 0.00 O ATOM 1432 CB PHE B 50 4.371 4.541 -0.569 1.00 0.00 C ATOM 1433 CG PHE B 50 3.866 5.962 -0.422 1.00 0.00 C ATOM 1434 CD1 PHE B 50 3.146 6.565 -1.463 1.00 0.00 C ATOM 1435 CD2 PHE B 50 4.115 6.680 0.759 1.00 0.00 C ATOM 1436 CE1 PHE B 50 2.681 7.880 -1.328 1.00 0.00 C ATOM 1437 CE2 PHE B 50 3.646 7.995 0.893 1.00 0.00 C ATOM 1438 CZ PHE B 50 2.933 8.596 -0.150 1.00 0.00 C ATOM 0 H PHE B 50 5.697 2.502 -1.082 1.00 0.00 H new ATOM 0 HA PHE B 50 4.727 4.582 -2.687 1.00 0.00 H new ATOM 0 HB2 PHE B 50 3.531 3.858 -0.698 1.00 0.00 H new ATOM 0 HB3 PHE B 50 4.895 4.235 0.337 1.00 0.00 H new ATOM 0 HD1 PHE B 50 2.949 6.015 -2.371 1.00 0.00 H new ATOM 0 HD2 PHE B 50 4.668 6.219 1.564 1.00 0.00 H new ATOM 0 HE1 PHE B 50 2.128 8.342 -2.132 1.00 0.00 H new ATOM 0 HE2 PHE B 50 3.836 8.545 1.803 1.00 0.00 H new ATOM 0 HZ PHE B 50 2.577 9.611 -0.047 1.00 0.00 H new ATOM 1448 N ARG B 51 7.332 5.392 -0.814 1.00 0.00 N ATOM 1449 CA ARG B 51 8.389 6.384 -0.680 1.00 0.00 C ATOM 1450 C ARG B 51 9.178 6.477 -1.983 1.00 0.00 C ATOM 1451 O ARG B 51 9.554 7.561 -2.420 1.00 0.00 O ATOM 1452 CB ARG B 51 9.326 6.002 0.467 1.00 0.00 C ATOM 1453 CG ARG B 51 8.588 6.165 1.798 1.00 0.00 C ATOM 1454 CD ARG B 51 9.516 5.766 2.947 1.00 0.00 C ATOM 1455 NE ARG B 51 8.828 5.914 4.225 1.00 0.00 N ATOM 1456 CZ ARG B 51 9.436 5.629 5.371 1.00 0.00 C ATOM 1457 NH1 ARG B 51 10.672 5.208 5.364 1.00 0.00 N ATOM 1458 NH2 ARG B 51 8.801 5.768 6.501 1.00 0.00 N ATOM 0 H ARG B 51 7.407 4.596 -0.180 1.00 0.00 H new ATOM 0 HA ARG B 51 7.940 7.353 -0.462 1.00 0.00 H new ATOM 0 HB2 ARG B 51 9.663 4.972 0.349 1.00 0.00 H new ATOM 0 HB3 ARG B 51 10.215 6.633 0.451 1.00 0.00 H new ATOM 0 HG2 ARG B 51 8.262 7.198 1.921 1.00 0.00 H new ATOM 0 HG3 ARG B 51 7.692 5.545 1.808 1.00 0.00 H new ATOM 0 HD2 ARG B 51 9.842 4.734 2.819 1.00 0.00 H new ATOM 0 HD3 ARG B 51 10.411 6.388 2.934 1.00 0.00 H new ATOM 0 HE ARG B 51 7.862 6.242 4.239 1.00 0.00 H new ATOM 0 HH11 ARG B 51 11.169 5.099 4.480 1.00 0.00 H new ATOM 0 HH12 ARG B 51 11.141 4.989 6.243 1.00 0.00 H new ATOM 0 HH21 ARG B 51 7.835 6.096 6.506 1.00 0.00 H new ATOM 0 HH22 ARG B 51 9.270 5.549 7.380 1.00 0.00 H new ATOM 1472 N LYS B 52 9.417 5.330 -2.601 1.00 0.00 N ATOM 1473 CA LYS B 52 10.149 5.283 -3.861 1.00 0.00 C ATOM 1474 C LYS B 52 9.357 5.970 -4.977 1.00 0.00 C ATOM 1475 O LYS B 52 9.932 6.625 -5.847 1.00 0.00 O ATOM 1476 CB LYS B 52 10.436 3.828 -4.247 1.00 0.00 C ATOM 1477 CG LYS B 52 11.354 3.794 -5.477 1.00 0.00 C ATOM 1478 CD LYS B 52 11.599 2.346 -5.927 1.00 0.00 C ATOM 1479 CE LYS B 52 12.580 1.647 -4.976 1.00 0.00 C ATOM 1480 NZ LYS B 52 12.970 0.330 -5.556 1.00 0.00 N ATOM 0 H LYS B 52 9.116 4.420 -2.252 1.00 0.00 H new ATOM 0 HA LYS B 52 11.092 5.814 -3.729 1.00 0.00 H new ATOM 0 HB2 LYS B 52 10.907 3.306 -3.414 1.00 0.00 H new ATOM 0 HB3 LYS B 52 9.503 3.307 -4.462 1.00 0.00 H new ATOM 0 HG2 LYS B 52 10.903 4.362 -6.290 1.00 0.00 H new ATOM 0 HG3 LYS B 52 12.304 4.274 -5.242 1.00 0.00 H new ATOM 0 HD2 LYS B 52 10.655 1.801 -5.950 1.00 0.00 H new ATOM 0 HD3 LYS B 52 11.997 2.337 -6.942 1.00 0.00 H new ATOM 0 HE2 LYS B 52 13.463 2.267 -4.825 1.00 0.00 H new ATOM 0 HE3 LYS B 52 12.119 1.505 -3.998 1.00 0.00 H new ATOM 0 HZ1 LYS B 52 13.635 -0.148 -4.915 1.00 0.00 H new ATOM 0 HZ2 LYS B 52 12.122 -0.260 -5.679 1.00 0.00 H new ATOM 0 HZ3 LYS B 52 13.425 0.478 -6.479 1.00 0.00 H new ATOM 1494 N PHE B 53 8.039 5.785 -4.959 1.00 0.00 N ATOM 1495 CA PHE B 53 7.171 6.357 -5.990 1.00 0.00 C ATOM 1496 C PHE B 53 7.309 7.878 -6.076 1.00 0.00 C ATOM 1497 O PHE B 53 7.479 8.424 -7.165 1.00 0.00 O ATOM 1498 CB PHE B 53 5.713 6.005 -5.682 1.00 0.00 C ATOM 1499 CG PHE B 53 4.803 6.600 -6.733 1.00 0.00 C ATOM 1500 CD1 PHE B 53 4.499 5.874 -7.894 1.00 0.00 C ATOM 1501 CD2 PHE B 53 4.260 7.876 -6.546 1.00 0.00 C ATOM 1502 CE1 PHE B 53 3.651 6.426 -8.865 1.00 0.00 C ATOM 1503 CE2 PHE B 53 3.414 8.428 -7.517 1.00 0.00 C ATOM 1504 CZ PHE B 53 3.110 7.703 -8.676 1.00 0.00 C ATOM 0 H PHE B 53 7.548 5.246 -4.245 1.00 0.00 H new ATOM 0 HA PHE B 53 7.475 5.935 -6.948 1.00 0.00 H new ATOM 0 HB2 PHE B 53 5.590 4.922 -5.654 1.00 0.00 H new ATOM 0 HB3 PHE B 53 5.440 6.383 -4.697 1.00 0.00 H new ATOM 0 HD1 PHE B 53 4.918 4.889 -8.040 1.00 0.00 H new ATOM 0 HD2 PHE B 53 4.493 8.436 -5.652 1.00 0.00 H new ATOM 0 HE1 PHE B 53 3.416 5.866 -9.758 1.00 0.00 H new ATOM 0 HE2 PHE B 53 2.996 9.413 -7.372 1.00 0.00 H new ATOM 0 HZ PHE B 53 2.458 8.129 -9.424 1.00 0.00 H new ATOM 1514 N GLN B 54 7.228 8.565 -4.938 1.00 0.00 N ATOM 1515 CA GLN B 54 7.342 10.021 -4.949 1.00 0.00 C ATOM 1516 C GLN B 54 8.758 10.458 -5.319 1.00 0.00 C ATOM 1517 O GLN B 54 8.941 11.470 -5.995 1.00 0.00 O ATOM 1518 CB GLN B 54 6.945 10.602 -3.588 1.00 0.00 C ATOM 1519 CG GLN B 54 7.843 10.029 -2.495 1.00 0.00 C ATOM 1520 CD GLN B 54 7.461 10.623 -1.143 1.00 0.00 C ATOM 1521 OE1 GLN B 54 7.049 9.836 -0.188 1.00 0.00 O flip ATOM 1522 NE2 GLN B 54 7.536 11.837 -0.954 1.00 0.00 N flip ATOM 0 H GLN B 54 7.087 8.149 -4.017 1.00 0.00 H new ATOM 0 HA GLN B 54 6.659 10.405 -5.706 1.00 0.00 H new ATOM 0 HB2 GLN B 54 7.030 11.688 -3.608 1.00 0.00 H new ATOM 0 HB3 GLN B 54 5.902 10.368 -3.373 1.00 0.00 H new ATOM 0 HG2 GLN B 54 7.747 8.944 -2.465 1.00 0.00 H new ATOM 0 HG3 GLN B 54 8.887 10.250 -2.717 1.00 0.00 H new ATOM 0 HE21 GLN B 54 7.858 12.451 -1.702 1.00 0.00 H new ATOM 0 HE22 GLN B 54 7.276 12.229 -0.049 1.00 0.00 H new ATOM 1531 N LYS B 55 9.755 9.688 -4.894 1.00 0.00 N ATOM 1532 CA LYS B 55 11.141 10.014 -5.217 1.00 0.00 C ATOM 1533 C LYS B 55 11.375 9.928 -6.720 1.00 0.00 C ATOM 1534 O LYS B 55 12.091 10.749 -7.292 1.00 0.00 O ATOM 1535 CB LYS B 55 12.100 9.067 -4.493 1.00 0.00 C ATOM 1536 CG LYS B 55 12.105 9.385 -2.996 1.00 0.00 C ATOM 1537 CD LYS B 55 13.050 8.420 -2.274 1.00 0.00 C ATOM 1538 CE LYS B 55 13.113 8.780 -0.790 1.00 0.00 C ATOM 1539 NZ LYS B 55 11.763 8.616 -0.181 1.00 0.00 N ATOM 0 H LYS B 55 9.633 8.845 -4.333 1.00 0.00 H new ATOM 0 HA LYS B 55 11.333 11.034 -4.885 1.00 0.00 H new ATOM 0 HB2 LYS B 55 11.796 8.033 -4.654 1.00 0.00 H new ATOM 0 HB3 LYS B 55 13.106 9.171 -4.900 1.00 0.00 H new ATOM 0 HG2 LYS B 55 12.424 10.414 -2.833 1.00 0.00 H new ATOM 0 HG3 LYS B 55 11.097 9.296 -2.591 1.00 0.00 H new ATOM 0 HD2 LYS B 55 12.701 7.394 -2.395 1.00 0.00 H new ATOM 0 HD3 LYS B 55 14.046 8.472 -2.714 1.00 0.00 H new ATOM 0 HE2 LYS B 55 13.834 8.141 -0.280 1.00 0.00 H new ATOM 0 HE3 LYS B 55 13.456 9.807 -0.668 1.00 0.00 H new ATOM 0 HZ1 LYS B 55 11.844 8.074 0.703 1.00 0.00 H new ATOM 0 HZ2 LYS B 55 11.358 9.552 0.022 1.00 0.00 H new ATOM 0 HZ3 LYS B 55 11.143 8.107 -0.843 1.00 0.00 H new