USER MOD reduce.3.24.130724 H: found=0, std=0, add=637, rem=0, adj=16 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 Set 1.1: A 109 MET CE :methyl 168:sc= -0.74 (180deg=-0.788) USER MOD Set 1.2: A 124 MET CE :methyl 157:sc= -0.396 (180deg=-2.56) USER MOD Set 2.1: A 107 HIS : no HE2:sc= -2.03! C(o=-3.6!,f=-5.1!) USER MOD Set 2.2: A 111 ASN : amide:sc= -1.6! C(o=-3.6!,f=-4.3!) USER MOD Single : A 81 SER OG : rot 26:sc= 0.0521 USER MOD Single : A 94 LYS NZ :NH3+ -146:sc= -0.128 (180deg=-1.05) USER MOD Single : A 97 ASN : amide:sc= -1.68! C(o=-1.7!,f=-16!) 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 110 THR OG1 : rot -76:sc= 0.886 USER MOD Single : A 115 LYS NZ :NH3+ -178:sc= 1.18 (180deg=1.15) USER MOD Single : A 117 THR OG1 : rot -84:sc= 0.147 USER MOD Single : A 135 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 137 ASN : amide:sc= -2.44! K(o=-2.4!,f=-0.79) USER MOD Single : A 138 TYR OH : rot 150:sc= -0.44 USER MOD Single : A 143 GLN : amide:sc= -2.12! K(o=-2.1!,f=-0.89) USER MOD Single : A 144 MET CE :methyl 137:sc= -0.763 (180deg=-1.06) USER MOD Single : A 145 MET CE :methyl 162:sc= -0.0021 (180deg=-0.372) USER MOD Single : B 39 THR OG1 : rot 180:sc= 0 USER MOD Single : B 47 GLN : amide:sc= -3.16! C(o=-3.2!,f=-14!) USER MOD Single : B 48 SER OG : rot 180:sc= 0 USER MOD Single : B 49 GLN : amide:sc= -0.192 X(o=-0.19,f=-0.59) USER MOD Single : B 52 LYS NZ :NH3+ 162:sc= -0.057 (180deg=-0.533) USER MOD Single : B 54 GLN : amide:sc= -2.2! C(o=-2.2!,f=-2.7!) USER MOD Single : B 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 80 N SER A 81 4.502 -8.240 -12.463 1.00 0.00 N ATOM 81 CA SER A 81 4.723 -8.159 -11.022 1.00 0.00 C ATOM 82 C SER A 81 3.538 -7.507 -10.323 1.00 0.00 C ATOM 83 O SER A 81 3.479 -7.465 -9.095 1.00 0.00 O ATOM 84 CB SER A 81 5.991 -7.355 -10.732 1.00 0.00 C ATOM 85 OG SER A 81 7.114 -8.041 -11.268 1.00 0.00 O ATOM 0 HA SER A 81 4.836 -9.174 -10.640 1.00 0.00 H new ATOM 0 HB2 SER A 81 5.914 -6.361 -11.172 1.00 0.00 H new ATOM 0 HB3 SER A 81 6.112 -7.220 -9.657 1.00 0.00 H new ATOM 0 HG SER A 81 6.827 -8.602 -12.019 1.00 0.00 H new ATOM 91 N GLU A 82 2.595 -6.993 -11.104 1.00 0.00 N ATOM 92 CA GLU A 82 1.428 -6.345 -10.524 1.00 0.00 C ATOM 93 C GLU A 82 0.748 -7.286 -9.546 1.00 0.00 C ATOM 94 O GLU A 82 0.160 -6.859 -8.552 1.00 0.00 O ATOM 95 CB GLU A 82 0.443 -5.962 -11.629 1.00 0.00 C ATOM 96 CG GLU A 82 -0.124 -7.230 -12.273 1.00 0.00 C ATOM 97 CD GLU A 82 -0.865 -6.877 -13.557 1.00 0.00 C ATOM 98 OE1 GLU A 82 -0.219 -6.415 -14.483 1.00 0.00 O ATOM 99 OE2 GLU A 82 -2.069 -7.075 -13.598 1.00 0.00 O ATOM 0 H GLU A 82 2.615 -7.012 -12.124 1.00 0.00 H new ATOM 0 HA GLU A 82 1.748 -5.446 -9.998 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -0.366 -5.359 -11.216 1.00 0.00 H new ATOM 0 HB3 GLU A 82 0.944 -5.352 -12.381 1.00 0.00 H new ATOM 0 HG2 GLU A 82 0.683 -7.930 -12.490 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -0.800 -7.729 -11.579 1.00 0.00 H new ATOM 106 N GLU A 83 0.850 -8.571 -9.835 1.00 0.00 N ATOM 107 CA GLU A 83 0.258 -9.590 -8.979 1.00 0.00 C ATOM 108 C GLU A 83 1.025 -9.687 -7.661 1.00 0.00 C ATOM 109 O GLU A 83 0.440 -9.942 -6.607 1.00 0.00 O ATOM 110 CB GLU A 83 0.296 -10.945 -9.688 1.00 0.00 C ATOM 111 CG GLU A 83 1.749 -11.405 -9.841 1.00 0.00 C ATOM 112 CD GLU A 83 1.824 -12.588 -10.800 1.00 0.00 C ATOM 113 OE1 GLU A 83 1.525 -12.399 -11.967 1.00 0.00 O ATOM 114 OE2 GLU A 83 2.179 -13.666 -10.352 1.00 0.00 O ATOM 0 H GLU A 83 1.336 -8.936 -10.654 1.00 0.00 H new ATOM 0 HA GLU A 83 -0.775 -9.314 -8.770 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -0.271 -11.681 -9.118 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -0.176 -10.868 -10.667 1.00 0.00 H new ATOM 0 HG2 GLU A 83 2.361 -10.584 -10.215 1.00 0.00 H new ATOM 0 HG3 GLU A 83 2.154 -11.688 -8.869 1.00 0.00 H new ATOM 121 N GLU A 84 2.341 -9.487 -7.732 1.00 0.00 N ATOM 122 CA GLU A 84 3.186 -9.560 -6.543 1.00 0.00 C ATOM 123 C GLU A 84 2.792 -8.486 -5.532 1.00 0.00 C ATOM 124 O GLU A 84 2.621 -8.765 -4.345 1.00 0.00 O ATOM 125 CB GLU A 84 4.653 -9.378 -6.948 1.00 0.00 C ATOM 126 CG GLU A 84 5.554 -9.511 -5.716 1.00 0.00 C ATOM 127 CD GLU A 84 7.018 -9.400 -6.128 1.00 0.00 C ATOM 128 OE1 GLU A 84 7.268 -9.229 -7.310 1.00 0.00 O ATOM 129 OE2 GLU A 84 7.867 -9.486 -5.256 1.00 0.00 O ATOM 0 H GLU A 84 2.841 -9.275 -8.595 1.00 0.00 H new ATOM 0 HA GLU A 84 3.051 -10.536 -6.077 1.00 0.00 H new ATOM 0 HB2 GLU A 84 4.929 -10.124 -7.693 1.00 0.00 H new ATOM 0 HB3 GLU A 84 4.794 -8.400 -7.408 1.00 0.00 H new ATOM 0 HG2 GLU A 84 5.311 -8.733 -4.992 1.00 0.00 H new ATOM 0 HG3 GLU A 84 5.377 -10.469 -5.227 1.00 0.00 H new ATOM 136 N ILE A 85 2.627 -7.260 -6.018 1.00 0.00 N ATOM 137 CA ILE A 85 2.231 -6.151 -5.161 1.00 0.00 C ATOM 138 C ILE A 85 0.815 -6.379 -4.654 1.00 0.00 C ATOM 139 O ILE A 85 0.495 -6.084 -3.504 1.00 0.00 O ATOM 140 CB ILE A 85 2.298 -4.824 -5.927 1.00 0.00 C ATOM 141 CG1 ILE A 85 3.755 -4.474 -6.254 1.00 0.00 C ATOM 142 CG2 ILE A 85 1.697 -3.710 -5.063 1.00 0.00 C ATOM 143 CD1 ILE A 85 4.407 -3.743 -5.072 1.00 0.00 C ATOM 0 H ILE A 85 2.761 -7.011 -6.998 1.00 0.00 H new ATOM 0 HA ILE A 85 2.919 -6.099 -4.317 1.00 0.00 H new ATOM 0 HB ILE A 85 1.736 -4.922 -6.856 1.00 0.00 H new ATOM 0 HG12 ILE A 85 4.312 -5.383 -6.480 1.00 0.00 H new ATOM 0 HG13 ILE A 85 3.794 -3.847 -7.144 1.00 0.00 H new ATOM 0 HG21 ILE A 85 1.743 -2.765 -5.604 1.00 0.00 H new ATOM 0 HG22 ILE A 85 0.658 -3.947 -4.834 1.00 0.00 H new ATOM 0 HG23 ILE A 85 2.262 -3.624 -4.135 1.00 0.00 H new ATOM 0 HD11 ILE A 85 5.441 -3.501 -5.319 1.00 0.00 H new ATOM 0 HD12 ILE A 85 3.859 -2.824 -4.866 1.00 0.00 H new ATOM 0 HD13 ILE A 85 4.385 -4.384 -4.191 1.00 0.00 H new ATOM 155 N ARG A 86 -0.021 -6.918 -5.534 1.00 0.00 N ATOM 156 CA ARG A 86 -1.413 -7.206 -5.217 1.00 0.00 C ATOM 157 C ARG A 86 -1.516 -8.183 -4.049 1.00 0.00 C ATOM 158 O ARG A 86 -2.400 -8.060 -3.202 1.00 0.00 O ATOM 159 CB ARG A 86 -2.077 -7.807 -6.454 1.00 0.00 C ATOM 160 CG ARG A 86 -3.555 -8.078 -6.189 1.00 0.00 C ATOM 161 CD ARG A 86 -4.223 -8.485 -7.503 1.00 0.00 C ATOM 162 NE ARG A 86 -5.615 -8.851 -7.274 1.00 0.00 N ATOM 163 CZ ARG A 86 -6.441 -9.074 -8.291 1.00 0.00 C ATOM 164 NH1 ARG A 86 -6.012 -8.956 -9.518 1.00 0.00 N ATOM 165 NH2 ARG A 86 -7.682 -9.409 -8.062 1.00 0.00 N ATOM 0 H ARG A 86 0.248 -7.167 -6.486 1.00 0.00 H new ATOM 0 HA ARG A 86 -1.914 -6.282 -4.927 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -1.972 -7.125 -7.298 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -1.575 -8.734 -6.729 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -3.667 -8.869 -5.448 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -4.035 -7.188 -5.781 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -4.169 -7.662 -8.216 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -3.688 -9.325 -7.945 1.00 0.00 H new ATOM 0 HE ARG A 86 -5.961 -8.937 -6.318 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -5.043 -8.693 -9.696 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -6.646 -9.127 -10.299 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -8.017 -9.499 -7.103 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -8.316 -9.580 -8.842 1.00 0.00 H new ATOM 179 N GLU A 87 -0.611 -9.156 -4.014 1.00 0.00 N ATOM 180 CA GLU A 87 -0.620 -10.149 -2.946 1.00 0.00 C ATOM 181 C GLU A 87 -0.507 -9.451 -1.596 1.00 0.00 C ATOM 182 O GLU A 87 -1.179 -9.824 -0.634 1.00 0.00 O ATOM 183 CB GLU A 87 0.548 -11.122 -3.127 1.00 0.00 C ATOM 184 CG GLU A 87 0.496 -12.202 -2.042 1.00 0.00 C ATOM 185 CD GLU A 87 1.624 -13.207 -2.255 1.00 0.00 C ATOM 186 OE1 GLU A 87 2.377 -13.032 -3.198 1.00 0.00 O ATOM 187 OE2 GLU A 87 1.716 -14.137 -1.471 1.00 0.00 O ATOM 0 H GLU A 87 0.130 -9.278 -4.704 1.00 0.00 H new ATOM 0 HA GLU A 87 -1.555 -10.707 -2.985 1.00 0.00 H new ATOM 0 HB2 GLU A 87 0.500 -11.582 -4.114 1.00 0.00 H new ATOM 0 HB3 GLU A 87 1.494 -10.583 -3.072 1.00 0.00 H new ATOM 0 HG2 GLU A 87 0.586 -11.745 -1.057 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -0.467 -12.712 -2.070 1.00 0.00 H new ATOM 194 N ALA A 88 0.341 -8.436 -1.536 1.00 0.00 N ATOM 195 CA ALA A 88 0.532 -7.682 -0.305 1.00 0.00 C ATOM 196 C ALA A 88 -0.780 -7.049 0.148 1.00 0.00 C ATOM 197 O ALA A 88 -1.060 -6.985 1.345 1.00 0.00 O ATOM 198 CB ALA A 88 1.582 -6.590 -0.518 1.00 0.00 C ATOM 0 H ALA A 88 0.907 -8.115 -2.322 1.00 0.00 H new ATOM 0 HA ALA A 88 0.875 -8.369 0.468 1.00 0.00 H new ATOM 0 HB1 ALA A 88 1.719 -6.031 0.408 1.00 0.00 H new ATOM 0 HB2 ALA A 88 2.528 -7.047 -0.809 1.00 0.00 H new ATOM 0 HB3 ALA A 88 1.249 -5.913 -1.305 1.00 0.00 H new ATOM 204 N PHE A 89 -1.599 -6.613 -0.807 1.00 0.00 N ATOM 205 CA PHE A 89 -2.892 -6.029 -0.469 1.00 0.00 C ATOM 206 C PHE A 89 -3.893 -7.123 -0.108 1.00 0.00 C ATOM 207 O PHE A 89 -4.697 -6.965 0.811 1.00 0.00 O ATOM 208 CB PHE A 89 -3.420 -5.189 -1.630 1.00 0.00 C ATOM 209 CG PHE A 89 -2.672 -3.879 -1.670 1.00 0.00 C ATOM 210 CD1 PHE A 89 -3.112 -2.805 -0.888 1.00 0.00 C ATOM 211 CD2 PHE A 89 -1.540 -3.739 -2.479 1.00 0.00 C ATOM 212 CE1 PHE A 89 -2.421 -1.590 -0.916 1.00 0.00 C ATOM 213 CE2 PHE A 89 -0.845 -2.523 -2.508 1.00 0.00 C ATOM 214 CZ PHE A 89 -1.288 -1.448 -1.725 1.00 0.00 C ATOM 0 H PHE A 89 -1.394 -6.652 -1.805 1.00 0.00 H new ATOM 0 HA PHE A 89 -2.760 -5.379 0.396 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -3.292 -5.724 -2.571 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -4.488 -5.009 -1.509 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -3.986 -2.915 -0.263 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -1.201 -4.569 -3.082 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -2.762 -0.761 -0.313 1.00 0.00 H new ATOM 0 HE2 PHE A 89 0.030 -2.414 -3.132 1.00 0.00 H new ATOM 0 HZ PHE A 89 -0.754 -0.509 -1.746 1.00 0.00 H new ATOM 224 N ARG A 90 -3.854 -8.223 -0.858 1.00 0.00 N ATOM 225 CA ARG A 90 -4.783 -9.324 -0.621 1.00 0.00 C ATOM 226 C ARG A 90 -4.775 -9.732 0.843 1.00 0.00 C ATOM 227 O ARG A 90 -5.763 -10.259 1.354 1.00 0.00 O ATOM 228 CB ARG A 90 -4.440 -10.530 -1.498 1.00 0.00 C ATOM 229 CG ARG A 90 -4.882 -10.254 -2.936 1.00 0.00 C ATOM 230 CD ARG A 90 -4.559 -11.464 -3.815 1.00 0.00 C ATOM 231 NE ARG A 90 -5.009 -11.231 -5.182 1.00 0.00 N ATOM 232 CZ ARG A 90 -6.266 -11.475 -5.540 1.00 0.00 C ATOM 233 NH1 ARG A 90 -7.119 -11.929 -4.663 1.00 0.00 N ATOM 234 NH2 ARG A 90 -6.648 -11.263 -6.769 1.00 0.00 N ATOM 0 H ARG A 90 -3.198 -8.374 -1.625 1.00 0.00 H new ATOM 0 HA ARG A 90 -5.782 -8.975 -0.884 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -3.368 -10.724 -1.466 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -4.937 -11.423 -1.118 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -5.952 -10.047 -2.965 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -4.375 -9.368 -3.319 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -3.486 -11.653 -3.806 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -5.043 -12.354 -3.412 1.00 0.00 H new ATOM 0 HE ARG A 90 -4.350 -10.875 -5.874 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -6.822 -12.097 -3.702 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -8.083 -12.116 -4.939 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -5.982 -10.910 -7.456 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -7.613 -11.450 -7.043 1.00 0.00 H new ATOM 248 N VAL A 91 -3.671 -9.464 1.524 1.00 0.00 N ATOM 249 CA VAL A 91 -3.568 -9.787 2.937 1.00 0.00 C ATOM 250 C VAL A 91 -4.616 -9.013 3.731 1.00 0.00 C ATOM 251 O VAL A 91 -5.213 -9.541 4.670 1.00 0.00 O ATOM 252 CB VAL A 91 -2.170 -9.445 3.455 1.00 0.00 C ATOM 253 CG1 VAL A 91 -2.154 -9.560 4.981 1.00 0.00 C ATOM 254 CG2 VAL A 91 -1.156 -10.424 2.862 1.00 0.00 C ATOM 0 H VAL A 91 -2.841 -9.027 1.124 1.00 0.00 H new ATOM 0 HA VAL A 91 -3.743 -10.855 3.064 1.00 0.00 H new ATOM 0 HB VAL A 91 -1.910 -8.428 3.162 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -1.159 -9.317 5.354 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -2.880 -8.867 5.406 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -2.412 -10.578 5.272 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -0.159 -10.182 3.230 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -1.415 -11.440 3.158 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -1.170 -10.348 1.775 1.00 0.00 H new ATOM 264 N PHE A 92 -4.832 -7.756 3.353 1.00 0.00 N ATOM 265 CA PHE A 92 -5.806 -6.919 4.044 1.00 0.00 C ATOM 266 C PHE A 92 -7.213 -7.141 3.488 1.00 0.00 C ATOM 267 O PHE A 92 -8.203 -6.867 4.166 1.00 0.00 O ATOM 268 CB PHE A 92 -5.428 -5.443 3.901 1.00 0.00 C ATOM 269 CG PHE A 92 -3.966 -5.249 4.241 1.00 0.00 C ATOM 270 CD1 PHE A 92 -3.464 -5.645 5.490 1.00 0.00 C ATOM 271 CD2 PHE A 92 -3.108 -4.661 3.304 1.00 0.00 C ATOM 272 CE1 PHE A 92 -2.113 -5.457 5.795 1.00 0.00 C ATOM 273 CE2 PHE A 92 -1.758 -4.474 3.610 1.00 0.00 C ATOM 274 CZ PHE A 92 -1.259 -4.873 4.853 1.00 0.00 C ATOM 0 H PHE A 92 -4.350 -7.299 2.579 1.00 0.00 H new ATOM 0 HA PHE A 92 -5.800 -7.197 5.098 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -5.621 -5.107 2.882 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -6.047 -4.835 4.560 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -4.123 -6.096 6.217 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -3.491 -4.351 2.343 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -1.729 -5.762 6.757 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -1.099 -4.020 2.885 1.00 0.00 H new ATOM 0 HZ PHE A 92 -0.214 -4.731 5.086 1.00 0.00 H new ATOM 284 N ASP A 93 -7.299 -7.660 2.266 1.00 0.00 N ATOM 285 CA ASP A 93 -8.601 -7.934 1.662 1.00 0.00 C ATOM 286 C ASP A 93 -9.013 -9.362 1.991 1.00 0.00 C ATOM 287 O ASP A 93 -8.776 -10.278 1.205 1.00 0.00 O ATOM 288 CB ASP A 93 -8.550 -7.762 0.143 1.00 0.00 C ATOM 289 CG ASP A 93 -9.956 -7.882 -0.437 1.00 0.00 C ATOM 290 OD1 ASP A 93 -10.851 -8.255 0.303 1.00 0.00 O ATOM 291 OD2 ASP A 93 -10.117 -7.601 -1.614 1.00 0.00 O ATOM 0 H ASP A 93 -6.497 -7.896 1.682 1.00 0.00 H new ATOM 0 HA ASP A 93 -9.326 -7.227 2.065 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -8.125 -6.790 -0.108 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -7.899 -8.518 -0.296 1.00 0.00 H new ATOM 296 N LYS A 94 -9.618 -9.554 3.159 1.00 0.00 N ATOM 297 CA LYS A 94 -10.037 -10.888 3.571 1.00 0.00 C ATOM 298 C LYS A 94 -11.419 -11.213 3.031 1.00 0.00 C ATOM 299 O LYS A 94 -11.788 -12.381 2.906 1.00 0.00 O ATOM 300 CB LYS A 94 -10.054 -11.003 5.099 1.00 0.00 C ATOM 301 CG LYS A 94 -10.272 -9.629 5.742 1.00 0.00 C ATOM 302 CD LYS A 94 -11.604 -9.042 5.272 1.00 0.00 C ATOM 303 CE LYS A 94 -12.180 -8.148 6.369 1.00 0.00 C ATOM 304 NZ LYS A 94 -12.507 -8.976 7.565 1.00 0.00 N ATOM 0 H LYS A 94 -9.827 -8.813 3.829 1.00 0.00 H new ATOM 0 HA LYS A 94 -9.318 -11.599 3.164 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -10.846 -11.685 5.409 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -9.113 -11.428 5.447 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -10.268 -9.721 6.828 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -9.455 -8.959 5.476 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -11.458 -8.466 4.358 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -12.304 -9.843 5.036 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -11.462 -7.373 6.636 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -13.075 -7.642 6.008 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -13.350 -8.589 8.035 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -12.695 -9.955 7.269 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -11.705 -8.962 8.227 1.00 0.00 H new ATOM 318 N ASP A 95 -12.170 -10.178 2.687 1.00 0.00 N ATOM 319 CA ASP A 95 -13.501 -10.382 2.130 1.00 0.00 C ATOM 320 C ASP A 95 -13.385 -10.862 0.689 1.00 0.00 C ATOM 321 O ASP A 95 -14.269 -11.549 0.176 1.00 0.00 O ATOM 322 CB ASP A 95 -14.301 -9.079 2.180 1.00 0.00 C ATOM 323 CG ASP A 95 -14.671 -8.748 3.621 1.00 0.00 C ATOM 324 OD1 ASP A 95 -14.557 -9.628 4.458 1.00 0.00 O ATOM 325 OD2 ASP A 95 -15.066 -7.621 3.867 1.00 0.00 O ATOM 0 H ASP A 95 -11.888 -9.202 2.781 1.00 0.00 H new ATOM 0 HA ASP A 95 -14.021 -11.136 2.722 1.00 0.00 H new ATOM 0 HB2 ASP A 95 -13.715 -8.266 1.751 1.00 0.00 H new ATOM 0 HB3 ASP A 95 -15.204 -9.174 1.577 1.00 0.00 H new ATOM 330 N GLY A 96 -12.286 -10.485 0.038 1.00 0.00 N ATOM 331 CA GLY A 96 -12.055 -10.871 -1.348 1.00 0.00 C ATOM 332 C GLY A 96 -12.998 -10.118 -2.282 1.00 0.00 C ATOM 333 O GLY A 96 -13.329 -10.601 -3.365 1.00 0.00 O ATOM 0 H GLY A 96 -11.546 -9.915 0.448 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -11.021 -10.662 -1.621 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -12.204 -11.945 -1.461 1.00 0.00 H new ATOM 337 N ASN A 97 -13.428 -8.935 -1.853 1.00 0.00 N ATOM 338 CA ASN A 97 -14.336 -8.127 -2.659 1.00 0.00 C ATOM 339 C ASN A 97 -13.572 -7.117 -3.515 1.00 0.00 C ATOM 340 O ASN A 97 -14.177 -6.365 -4.281 1.00 0.00 O ATOM 341 CB ASN A 97 -15.316 -7.389 -1.744 1.00 0.00 C ATOM 342 CG ASN A 97 -14.561 -6.407 -0.855 1.00 0.00 C ATOM 343 OD1 ASN A 97 -13.377 -6.155 -1.073 1.00 0.00 O ATOM 344 ND2 ASN A 97 -15.181 -5.834 0.141 1.00 0.00 N ATOM 0 H ASN A 97 -13.165 -8.518 -0.960 1.00 0.00 H new ATOM 0 HA ASN A 97 -14.881 -8.793 -3.327 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -16.055 -6.856 -2.343 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -15.861 -8.105 -1.128 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -14.683 -5.176 0.740 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -16.163 -6.045 0.320 1.00 0.00 H new ATOM 351 N GLY A 98 -12.247 -7.107 -3.394 1.00 0.00 N ATOM 352 CA GLY A 98 -11.427 -6.179 -4.174 1.00 0.00 C ATOM 353 C GLY A 98 -11.154 -4.885 -3.403 1.00 0.00 C ATOM 354 O GLY A 98 -10.657 -3.910 -3.969 1.00 0.00 O ATOM 0 H GLY A 98 -11.722 -7.722 -2.772 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -10.482 -6.656 -4.432 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -11.932 -5.945 -5.111 1.00 0.00 H new ATOM 358 N TYR A 99 -11.487 -4.883 -2.115 1.00 0.00 N ATOM 359 CA TYR A 99 -11.272 -3.694 -1.288 1.00 0.00 C ATOM 360 C TYR A 99 -10.696 -4.040 0.079 1.00 0.00 C ATOM 361 O TYR A 99 -10.848 -5.159 0.571 1.00 0.00 O ATOM 362 CB TYR A 99 -12.581 -2.936 -1.081 1.00 0.00 C ATOM 363 CG TYR A 99 -13.202 -2.598 -2.411 1.00 0.00 C ATOM 364 CD1 TYR A 99 -13.788 -3.608 -3.173 1.00 0.00 C ATOM 365 CD2 TYR A 99 -13.208 -1.277 -2.871 1.00 0.00 C ATOM 366 CE1 TYR A 99 -14.378 -3.308 -4.404 1.00 0.00 C ATOM 367 CE2 TYR A 99 -13.800 -0.972 -4.104 1.00 0.00 C ATOM 368 CZ TYR A 99 -14.384 -1.989 -4.872 1.00 0.00 C ATOM 369 OH TYR A 99 -14.965 -1.690 -6.087 1.00 0.00 O ATOM 0 H TYR A 99 -11.900 -5.677 -1.625 1.00 0.00 H new ATOM 0 HA TYR A 99 -10.555 -3.072 -1.824 1.00 0.00 H new ATOM 0 HB2 TYR A 99 -13.271 -3.541 -0.492 1.00 0.00 H new ATOM 0 HB3 TYR A 99 -12.395 -2.023 -0.515 1.00 0.00 H new ATOM 0 HD1 TYR A 99 -13.786 -4.625 -2.811 1.00 0.00 H new ATOM 0 HD2 TYR A 99 -12.758 -0.495 -2.278 1.00 0.00 H new ATOM 0 HE1 TYR A 99 -14.829 -4.093 -4.993 1.00 0.00 H new ATOM 0 HE2 TYR A 99 -13.806 0.047 -4.463 1.00 0.00 H new ATOM 0 HH TYR A 99 -14.883 -0.729 -6.261 1.00 0.00 H new ATOM 379 N ILE A 100 -10.069 -3.043 0.699 1.00 0.00 N ATOM 380 CA ILE A 100 -9.502 -3.196 2.034 1.00 0.00 C ATOM 381 C ILE A 100 -9.983 -2.021 2.876 1.00 0.00 C ATOM 382 O ILE A 100 -10.146 -0.919 2.353 1.00 0.00 O ATOM 383 CB ILE A 100 -7.963 -3.210 1.974 1.00 0.00 C ATOM 384 CG1 ILE A 100 -7.402 -1.799 2.187 1.00 0.00 C ATOM 385 CG2 ILE A 100 -7.508 -3.692 0.599 1.00 0.00 C ATOM 386 CD1 ILE A 100 -5.918 -1.786 1.822 1.00 0.00 C ATOM 0 H ILE A 100 -9.941 -2.116 0.294 1.00 0.00 H new ATOM 0 HA ILE A 100 -9.823 -4.141 2.472 1.00 0.00 H new ATOM 0 HB ILE A 100 -7.600 -3.875 2.758 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -7.946 -1.082 1.572 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -7.536 -1.495 3.225 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -6.419 -3.701 0.559 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -7.886 -4.699 0.423 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -7.894 -3.020 -0.168 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -5.515 -0.784 1.972 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -5.381 -2.492 2.456 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -5.798 -2.073 0.777 1.00 0.00 H new ATOM 398 N SER A 101 -10.220 -2.230 4.161 1.00 0.00 N ATOM 399 CA SER A 101 -10.690 -1.135 4.998 1.00 0.00 C ATOM 400 C SER A 101 -9.670 0.002 5.000 1.00 0.00 C ATOM 401 O SER A 101 -8.485 -0.220 5.208 1.00 0.00 O ATOM 402 CB SER A 101 -10.915 -1.625 6.428 1.00 0.00 C ATOM 403 OG SER A 101 -11.943 -2.608 6.432 1.00 0.00 O ATOM 0 H SER A 101 -10.099 -3.123 4.639 1.00 0.00 H new ATOM 0 HA SER A 101 -11.633 -0.768 4.593 1.00 0.00 H new ATOM 0 HB2 SER A 101 -9.993 -2.045 6.830 1.00 0.00 H new ATOM 0 HB3 SER A 101 -11.192 -0.790 7.071 1.00 0.00 H new ATOM 0 HG SER A 101 -12.088 -2.926 7.348 1.00 0.00 H new ATOM 409 N ALA A 102 -10.134 1.219 4.756 1.00 0.00 N ATOM 410 CA ALA A 102 -9.243 2.374 4.736 1.00 0.00 C ATOM 411 C ALA A 102 -8.623 2.615 6.115 1.00 0.00 C ATOM 412 O ALA A 102 -7.460 2.997 6.230 1.00 0.00 O ATOM 413 CB ALA A 102 -10.015 3.619 4.292 1.00 0.00 C ATOM 0 H ALA A 102 -11.114 1.433 4.570 1.00 0.00 H new ATOM 0 HA ALA A 102 -8.439 2.171 4.029 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -9.344 4.478 4.279 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -10.419 3.459 3.292 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -10.832 3.808 4.988 1.00 0.00 H new ATOM 419 N ALA A 103 -9.431 2.429 7.152 1.00 0.00 N ATOM 420 CA ALA A 103 -8.984 2.666 8.526 1.00 0.00 C ATOM 421 C ALA A 103 -7.806 1.773 8.936 1.00 0.00 C ATOM 422 O ALA A 103 -6.880 2.240 9.600 1.00 0.00 O ATOM 423 CB ALA A 103 -10.148 2.434 9.490 1.00 0.00 C ATOM 0 H ALA A 103 -10.398 2.115 7.071 1.00 0.00 H new ATOM 0 HA ALA A 103 -8.640 3.699 8.573 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -9.814 2.611 10.513 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -10.961 3.119 9.250 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -10.499 1.407 9.395 1.00 0.00 H new ATOM 429 N GLU A 104 -7.841 0.495 8.567 1.00 0.00 N ATOM 430 CA GLU A 104 -6.761 -0.414 8.948 1.00 0.00 C ATOM 431 C GLU A 104 -5.481 -0.072 8.194 1.00 0.00 C ATOM 432 O GLU A 104 -4.378 -0.306 8.688 1.00 0.00 O ATOM 433 CB GLU A 104 -7.156 -1.862 8.661 1.00 0.00 C ATOM 434 CG GLU A 104 -6.891 -2.195 7.195 1.00 0.00 C ATOM 435 CD GLU A 104 -7.754 -3.376 6.764 1.00 0.00 C ATOM 436 OE1 GLU A 104 -8.369 -3.982 7.626 1.00 0.00 O ATOM 437 OE2 GLU A 104 -7.791 -3.656 5.577 1.00 0.00 O ATOM 0 H GLU A 104 -8.588 0.071 8.016 1.00 0.00 H new ATOM 0 HA GLU A 104 -6.582 -0.299 10.017 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -6.590 -2.536 9.304 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -8.211 -2.012 8.892 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -7.109 -1.328 6.571 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -5.837 -2.433 7.052 1.00 0.00 H new ATOM 444 N LEU A 105 -5.634 0.491 7.000 1.00 0.00 N ATOM 445 CA LEU A 105 -4.474 0.867 6.197 1.00 0.00 C ATOM 446 C LEU A 105 -3.636 1.895 6.948 1.00 0.00 C ATOM 447 O LEU A 105 -2.415 1.767 7.037 1.00 0.00 O ATOM 448 CB LEU A 105 -4.922 1.443 4.847 1.00 0.00 C ATOM 449 CG LEU A 105 -3.701 1.944 4.065 1.00 0.00 C ATOM 450 CD1 LEU A 105 -3.799 1.475 2.610 1.00 0.00 C ATOM 451 CD2 LEU A 105 -3.670 3.474 4.100 1.00 0.00 C ATOM 0 H LEU A 105 -6.536 0.695 6.571 1.00 0.00 H new ATOM 0 HA LEU A 105 -3.871 -0.023 6.014 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -5.446 0.680 4.271 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -5.625 2.261 5.005 1.00 0.00 H new ATOM 0 HG LEU A 105 -2.792 1.547 4.517 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -2.932 1.831 2.054 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -3.828 0.386 2.580 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -4.708 1.874 2.159 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -2.803 3.833 3.545 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -4.580 3.867 3.646 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -3.605 3.813 5.134 1.00 0.00 H new ATOM 463 N ARG A 106 -4.297 2.920 7.479 1.00 0.00 N ATOM 464 CA ARG A 106 -3.588 3.963 8.207 1.00 0.00 C ATOM 465 C ARG A 106 -2.787 3.350 9.354 1.00 0.00 C ATOM 466 O ARG A 106 -1.597 3.622 9.502 1.00 0.00 O ATOM 467 CB ARG A 106 -4.588 4.975 8.772 1.00 0.00 C ATOM 468 CG ARG A 106 -3.838 6.051 9.561 1.00 0.00 C ATOM 469 CD ARG A 106 -3.974 5.788 11.063 1.00 0.00 C ATOM 470 NE ARG A 106 -5.350 6.006 11.492 1.00 0.00 N ATOM 471 CZ ARG A 106 -5.753 5.650 12.707 1.00 0.00 C ATOM 472 NH1 ARG A 106 -4.913 5.094 13.535 1.00 0.00 N ATOM 473 NH2 ARG A 106 -6.989 5.857 13.071 1.00 0.00 N ATOM 0 H ARG A 106 -5.307 3.049 7.420 1.00 0.00 H new ATOM 0 HA ARG A 106 -2.907 4.468 7.521 1.00 0.00 H new ATOM 0 HB2 ARG A 106 -5.155 5.433 7.961 1.00 0.00 H new ATOM 0 HB3 ARG A 106 -5.306 4.470 9.418 1.00 0.00 H new ATOM 0 HG2 ARG A 106 -2.785 6.054 9.278 1.00 0.00 H new ATOM 0 HG3 ARG A 106 -4.237 7.036 9.318 1.00 0.00 H new ATOM 0 HD2 ARG A 106 -3.673 4.765 11.289 1.00 0.00 H new ATOM 0 HD3 ARG A 106 -3.305 6.446 11.617 1.00 0.00 H new ATOM 0 HE ARG A 106 -6.014 6.439 10.850 1.00 0.00 H new ATOM 0 HH11 ARG A 106 -3.947 4.933 13.250 1.00 0.00 H new ATOM 0 HH12 ARG A 106 -5.222 4.821 14.468 1.00 0.00 H new ATOM 0 HH21 ARG A 106 -7.646 6.292 12.423 1.00 0.00 H new ATOM 0 HH22 ARG A 106 -7.299 5.584 14.004 1.00 0.00 H new ATOM 487 N HIS A 107 -3.438 2.511 10.159 1.00 0.00 N ATOM 488 CA HIS A 107 -2.760 1.862 11.281 1.00 0.00 C ATOM 489 C HIS A 107 -1.614 0.992 10.779 1.00 0.00 C ATOM 490 O HIS A 107 -0.503 1.028 11.309 1.00 0.00 O ATOM 491 CB HIS A 107 -3.757 0.998 12.056 1.00 0.00 C ATOM 492 CG HIS A 107 -3.040 0.245 13.143 1.00 0.00 C ATOM 493 ND1 HIS A 107 -2.545 0.873 14.276 1.00 0.00 N ATOM 494 CD2 HIS A 107 -2.733 -1.087 13.287 1.00 0.00 C ATOM 495 CE1 HIS A 107 -1.972 -0.072 15.046 1.00 0.00 C ATOM 496 NE2 HIS A 107 -2.059 -1.283 14.489 1.00 0.00 N ATOM 0 H HIS A 107 -4.423 2.266 10.058 1.00 0.00 H new ATOM 0 HA HIS A 107 -2.356 2.632 11.938 1.00 0.00 H new ATOM 0 HB2 HIS A 107 -4.537 1.625 12.489 1.00 0.00 H new ATOM 0 HB3 HIS A 107 -4.249 0.299 11.380 1.00 0.00 H new ATOM 0 HD1 HIS A 107 -2.604 1.869 14.488 1.00 0.00 H new ATOM 0 HD2 HIS A 107 -2.977 -1.863 12.576 1.00 0.00 H new ATOM 0 HE1 HIS A 107 -1.500 0.125 15.997 1.00 0.00 H new ATOM 505 N VAL A 108 -1.909 0.213 9.753 1.00 0.00 N ATOM 506 CA VAL A 108 -0.931 -0.685 9.152 1.00 0.00 C ATOM 507 C VAL A 108 0.253 0.098 8.589 1.00 0.00 C ATOM 508 O VAL A 108 1.403 -0.331 8.690 1.00 0.00 O ATOM 509 CB VAL A 108 -1.614 -1.478 8.034 1.00 0.00 C ATOM 510 CG1 VAL A 108 -0.580 -2.272 7.235 1.00 0.00 C ATOM 511 CG2 VAL A 108 -2.630 -2.444 8.646 1.00 0.00 C ATOM 0 H VAL A 108 -2.828 0.183 9.313 1.00 0.00 H new ATOM 0 HA VAL A 108 -0.551 -1.364 9.915 1.00 0.00 H new ATOM 0 HB VAL A 108 -2.118 -0.781 7.365 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -1.081 -2.830 6.444 1.00 0.00 H new ATOM 0 HG12 VAL A 108 0.143 -1.586 6.793 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -0.063 -2.966 7.897 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -3.118 -3.010 7.852 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -2.118 -3.131 9.320 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -3.379 -1.880 9.202 1.00 0.00 H new ATOM 521 N MET A 109 -0.046 1.241 7.987 1.00 0.00 N ATOM 522 CA MET A 109 0.987 2.086 7.394 1.00 0.00 C ATOM 523 C MET A 109 1.819 2.794 8.452 1.00 0.00 C ATOM 524 O MET A 109 2.984 3.110 8.217 1.00 0.00 O ATOM 525 CB MET A 109 0.341 3.126 6.481 1.00 0.00 C ATOM 526 CG MET A 109 0.296 2.587 5.054 1.00 0.00 C ATOM 527 SD MET A 109 -0.262 0.863 5.068 1.00 0.00 S ATOM 528 CE MET A 109 0.314 0.425 3.411 1.00 0.00 C ATOM 0 H MET A 109 -0.994 1.606 7.895 1.00 0.00 H new ATOM 0 HA MET A 109 1.651 1.439 6.820 1.00 0.00 H new ATOM 0 HB2 MET A 109 -0.667 3.355 6.827 1.00 0.00 H new ATOM 0 HB3 MET A 109 0.908 4.057 6.513 1.00 0.00 H new ATOM 0 HG2 MET A 109 -0.378 3.192 4.448 1.00 0.00 H new ATOM 0 HG3 MET A 109 1.284 2.656 4.598 1.00 0.00 H new ATOM 0 HE1 MET A 109 0.266 -0.656 3.283 1.00 0.00 H new ATOM 0 HE2 MET A 109 -0.319 0.907 2.666 1.00 0.00 H new ATOM 0 HE3 MET A 109 1.343 0.760 3.283 1.00 0.00 H new ATOM 538 N THR A 110 1.219 3.068 9.602 1.00 0.00 N ATOM 539 CA THR A 110 1.928 3.774 10.660 1.00 0.00 C ATOM 540 C THR A 110 2.359 2.831 11.786 1.00 0.00 C ATOM 541 O THR A 110 3.167 3.210 12.632 1.00 0.00 O ATOM 542 CB THR A 110 1.027 4.879 11.214 1.00 0.00 C ATOM 543 OG1 THR A 110 -0.118 4.301 11.824 1.00 0.00 O ATOM 544 CG2 THR A 110 0.589 5.784 10.064 1.00 0.00 C ATOM 0 H THR A 110 0.256 2.816 9.825 1.00 0.00 H new ATOM 0 HA THR A 110 2.835 4.206 10.236 1.00 0.00 H new ATOM 0 HB THR A 110 1.573 5.461 11.957 1.00 0.00 H new ATOM 0 HG1 THR A 110 -0.745 4.008 11.130 1.00 0.00 H new ATOM 0 HG21 THR A 110 -0.054 6.576 10.449 1.00 0.00 H new ATOM 0 HG22 THR A 110 1.467 6.226 9.594 1.00 0.00 H new ATOM 0 HG23 THR A 110 0.041 5.197 9.327 1.00 0.00 H new ATOM 552 N ASN A 111 1.808 1.615 11.809 1.00 0.00 N ATOM 553 CA ASN A 111 2.148 0.654 12.863 1.00 0.00 C ATOM 554 C ASN A 111 3.041 -0.483 12.351 1.00 0.00 C ATOM 555 O ASN A 111 4.049 -0.814 12.975 1.00 0.00 O ATOM 556 CB ASN A 111 0.866 0.059 13.448 1.00 0.00 C ATOM 557 CG ASN A 111 1.156 -0.574 14.805 1.00 0.00 C ATOM 558 OD1 ASN A 111 1.982 -0.064 15.565 1.00 0.00 O ATOM 559 ND2 ASN A 111 0.525 -1.660 15.159 1.00 0.00 N ATOM 0 H ASN A 111 1.135 1.275 11.122 1.00 0.00 H new ATOM 0 HA ASN A 111 2.705 1.196 13.628 1.00 0.00 H new ATOM 0 HB2 ASN A 111 0.110 0.837 13.555 1.00 0.00 H new ATOM 0 HB3 ASN A 111 0.459 -0.689 12.768 1.00 0.00 H new ATOM 0 HD21 ASN A 111 0.715 -2.088 16.065 1.00 0.00 H new ATOM 0 HD22 ASN A 111 -0.158 -2.081 14.529 1.00 0.00 H new ATOM 566 N LEU A 112 2.654 -1.094 11.234 1.00 0.00 N ATOM 567 CA LEU A 112 3.417 -2.214 10.674 1.00 0.00 C ATOM 568 C LEU A 112 4.431 -1.751 9.637 1.00 0.00 C ATOM 569 O LEU A 112 4.379 -0.618 9.159 1.00 0.00 O ATOM 570 CB LEU A 112 2.470 -3.204 10.002 1.00 0.00 C ATOM 571 CG LEU A 112 1.461 -3.742 11.017 1.00 0.00 C ATOM 572 CD1 LEU A 112 0.452 -4.638 10.296 1.00 0.00 C ATOM 573 CD2 LEU A 112 2.185 -4.564 12.093 1.00 0.00 C ATOM 0 H LEU A 112 1.824 -0.838 10.700 1.00 0.00 H new ATOM 0 HA LEU A 112 3.949 -2.683 11.502 1.00 0.00 H new ATOM 0 HB2 LEU A 112 1.945 -2.716 9.180 1.00 0.00 H new ATOM 0 HB3 LEU A 112 3.039 -4.028 9.572 1.00 0.00 H new ATOM 0 HG LEU A 112 0.947 -2.905 11.490 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -0.270 -5.025 11.015 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -0.069 -4.059 9.534 1.00 0.00 H new ATOM 0 HD13 LEU A 112 0.976 -5.470 9.825 1.00 0.00 H new ATOM 0 HD21 LEU A 112 1.458 -4.943 12.812 1.00 0.00 H new ATOM 0 HD22 LEU A 112 2.703 -5.401 11.624 1.00 0.00 H new ATOM 0 HD23 LEU A 112 2.909 -3.932 12.608 1.00 0.00 H new ATOM 585 N GLY A 113 5.339 -2.656 9.272 1.00 0.00 N ATOM 586 CA GLY A 113 6.347 -2.358 8.264 1.00 0.00 C ATOM 587 C GLY A 113 7.246 -1.204 8.681 1.00 0.00 C ATOM 588 O GLY A 113 7.984 -1.292 9.661 1.00 0.00 O ATOM 0 H GLY A 113 5.394 -3.598 9.660 1.00 0.00 H new ATOM 0 HA2 GLY A 113 6.955 -3.245 8.086 1.00 0.00 H new ATOM 0 HA3 GLY A 113 5.856 -2.113 7.322 1.00 0.00 H new ATOM 592 N GLU A 114 7.154 -0.119 7.926 1.00 0.00 N ATOM 593 CA GLU A 114 7.936 1.074 8.206 1.00 0.00 C ATOM 594 C GLU A 114 6.999 2.216 8.563 1.00 0.00 C ATOM 595 O GLU A 114 6.444 2.864 7.684 1.00 0.00 O ATOM 596 CB GLU A 114 8.771 1.453 6.982 1.00 0.00 C ATOM 597 CG GLU A 114 9.870 0.411 6.773 1.00 0.00 C ATOM 598 CD GLU A 114 10.605 0.684 5.463 1.00 0.00 C ATOM 599 OE1 GLU A 114 10.121 1.500 4.696 1.00 0.00 O ATOM 600 OE2 GLU A 114 11.637 0.072 5.247 1.00 0.00 O ATOM 0 H GLU A 114 6.543 -0.041 7.113 1.00 0.00 H new ATOM 0 HA GLU A 114 8.607 0.877 9.042 1.00 0.00 H new ATOM 0 HB2 GLU A 114 8.136 1.509 6.098 1.00 0.00 H new ATOM 0 HB3 GLU A 114 9.212 2.440 7.121 1.00 0.00 H new ATOM 0 HG2 GLU A 114 10.572 0.439 7.606 1.00 0.00 H new ATOM 0 HG3 GLU A 114 9.436 -0.589 6.755 1.00 0.00 H new ATOM 607 N LYS A 115 6.798 2.430 9.856 1.00 0.00 N ATOM 608 CA LYS A 115 5.890 3.473 10.322 1.00 0.00 C ATOM 609 C LYS A 115 5.960 4.718 9.441 1.00 0.00 C ATOM 610 O LYS A 115 6.983 5.400 9.391 1.00 0.00 O ATOM 611 CB LYS A 115 6.245 3.870 11.761 1.00 0.00 C ATOM 612 CG LYS A 115 6.267 2.631 12.666 1.00 0.00 C ATOM 613 CD LYS A 115 6.707 3.035 14.082 1.00 0.00 C ATOM 614 CE LYS A 115 5.532 2.921 15.059 1.00 0.00 C ATOM 615 NZ LYS A 115 4.514 3.960 14.738 1.00 0.00 N ATOM 0 H LYS A 115 7.249 1.898 10.600 1.00 0.00 H new ATOM 0 HA LYS A 115 4.879 3.069 10.275 1.00 0.00 H new ATOM 0 HB2 LYS A 115 7.218 4.360 11.780 1.00 0.00 H new ATOM 0 HB3 LYS A 115 5.518 4.590 12.137 1.00 0.00 H new ATOM 0 HG2 LYS A 115 5.278 2.174 12.698 1.00 0.00 H new ATOM 0 HG3 LYS A 115 6.950 1.884 12.261 1.00 0.00 H new ATOM 0 HD2 LYS A 115 7.526 2.395 14.412 1.00 0.00 H new ATOM 0 HD3 LYS A 115 7.084 4.058 14.075 1.00 0.00 H new ATOM 0 HE2 LYS A 115 5.087 1.928 14.994 1.00 0.00 H new ATOM 0 HE3 LYS A 115 5.884 3.046 16.083 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 3.733 3.904 15.422 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 4.952 4.902 14.788 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 4.146 3.800 13.779 1.00 0.00 H new ATOM 629 N LEU A 116 4.845 5.031 8.782 1.00 0.00 N ATOM 630 CA LEU A 116 4.775 6.226 7.946 1.00 0.00 C ATOM 631 C LEU A 116 4.379 7.400 8.837 1.00 0.00 C ATOM 632 O LEU A 116 3.754 7.197 9.877 1.00 0.00 O ATOM 633 CB LEU A 116 3.713 6.073 6.840 1.00 0.00 C ATOM 634 CG LEU A 116 4.317 5.548 5.525 1.00 0.00 C ATOM 635 CD1 LEU A 116 5.325 6.549 4.961 1.00 0.00 C ATOM 636 CD2 LEU A 116 5.022 4.220 5.770 1.00 0.00 C ATOM 0 H LEU A 116 3.987 4.480 8.810 1.00 0.00 H new ATOM 0 HA LEU A 116 5.744 6.386 7.474 1.00 0.00 H new ATOM 0 HB2 LEU A 116 2.934 5.390 7.178 1.00 0.00 H new ATOM 0 HB3 LEU A 116 3.236 7.037 6.660 1.00 0.00 H new ATOM 0 HG LEU A 116 3.507 5.410 4.808 1.00 0.00 H new ATOM 0 HD11 LEU A 116 5.742 6.161 4.031 1.00 0.00 H new ATOM 0 HD12 LEU A 116 4.825 7.498 4.767 1.00 0.00 H new ATOM 0 HD13 LEU A 116 6.128 6.703 5.682 1.00 0.00 H new ATOM 0 HD21 LEU A 116 5.447 3.855 4.835 1.00 0.00 H new ATOM 0 HD22 LEU A 116 5.819 4.361 6.500 1.00 0.00 H new ATOM 0 HD23 LEU A 116 4.305 3.492 6.151 1.00 0.00 H new ATOM 648 N THR A 117 4.711 8.622 8.439 1.00 0.00 N ATOM 649 CA THR A 117 4.337 9.780 9.239 1.00 0.00 C ATOM 650 C THR A 117 2.960 10.275 8.817 1.00 0.00 C ATOM 651 O THR A 117 2.453 9.888 7.764 1.00 0.00 O ATOM 652 CB THR A 117 5.367 10.899 9.064 1.00 0.00 C ATOM 653 OG1 THR A 117 5.373 11.326 7.709 1.00 0.00 O ATOM 654 CG2 THR A 117 6.755 10.382 9.446 1.00 0.00 C ATOM 0 H THR A 117 5.228 8.834 7.585 1.00 0.00 H new ATOM 0 HA THR A 117 4.309 9.489 10.289 1.00 0.00 H new ATOM 0 HB THR A 117 5.106 11.739 9.708 1.00 0.00 H new ATOM 0 HG1 THR A 117 5.947 10.732 7.181 1.00 0.00 H new ATOM 0 HG21 THR A 117 7.487 11.180 9.321 1.00 0.00 H new ATOM 0 HG22 THR A 117 6.748 10.055 10.486 1.00 0.00 H new ATOM 0 HG23 THR A 117 7.020 9.542 8.804 1.00 0.00 H new ATOM 662 N ASP A 118 2.353 11.127 9.634 1.00 0.00 N ATOM 663 CA ASP A 118 1.032 11.650 9.311 1.00 0.00 C ATOM 664 C ASP A 118 1.062 12.369 7.968 1.00 0.00 C ATOM 665 O ASP A 118 0.135 12.248 7.167 1.00 0.00 O ATOM 666 CB ASP A 118 0.570 12.619 10.401 1.00 0.00 C ATOM 667 CG ASP A 118 1.650 13.663 10.666 1.00 0.00 C ATOM 668 OD1 ASP A 118 2.793 13.273 10.833 1.00 0.00 O ATOM 669 OD2 ASP A 118 1.316 14.836 10.705 1.00 0.00 O ATOM 0 H ASP A 118 2.747 11.466 10.512 1.00 0.00 H new ATOM 0 HA ASP A 118 0.334 10.815 9.252 1.00 0.00 H new ATOM 0 HB2 ASP A 118 -0.354 13.110 10.095 1.00 0.00 H new ATOM 0 HB3 ASP A 118 0.351 12.070 11.317 1.00 0.00 H new ATOM 674 N GLU A 119 2.134 13.114 7.726 1.00 0.00 N ATOM 675 CA GLU A 119 2.266 13.842 6.470 1.00 0.00 C ATOM 676 C GLU A 119 2.313 12.866 5.299 1.00 0.00 C ATOM 677 O GLU A 119 1.687 13.094 4.264 1.00 0.00 O ATOM 678 CB GLU A 119 3.547 14.686 6.474 1.00 0.00 C ATOM 679 CG GLU A 119 3.416 15.846 7.471 1.00 0.00 C ATOM 680 CD GLU A 119 3.694 15.359 8.891 1.00 0.00 C ATOM 681 OE1 GLU A 119 4.027 14.195 9.046 1.00 0.00 O ATOM 682 OE2 GLU A 119 3.571 16.159 9.804 1.00 0.00 O ATOM 0 H GLU A 119 2.914 13.229 8.373 1.00 0.00 H new ATOM 0 HA GLU A 119 1.402 14.498 6.363 1.00 0.00 H new ATOM 0 HB2 GLU A 119 4.401 14.063 6.740 1.00 0.00 H new ATOM 0 HB3 GLU A 119 3.737 15.076 5.474 1.00 0.00 H new ATOM 0 HG2 GLU A 119 4.115 16.641 7.209 1.00 0.00 H new ATOM 0 HG3 GLU A 119 2.414 16.271 7.415 1.00 0.00 H new ATOM 689 N GLU A 120 3.046 11.770 5.473 1.00 0.00 N ATOM 690 CA GLU A 120 3.149 10.763 4.425 1.00 0.00 C ATOM 691 C GLU A 120 1.829 10.022 4.253 1.00 0.00 C ATOM 692 O GLU A 120 1.381 9.791 3.136 1.00 0.00 O ATOM 693 CB GLU A 120 4.259 9.773 4.769 1.00 0.00 C ATOM 694 CG GLU A 120 5.615 10.468 4.609 1.00 0.00 C ATOM 695 CD GLU A 120 6.749 9.526 4.998 1.00 0.00 C ATOM 696 OE1 GLU A 120 6.801 9.141 6.155 1.00 0.00 O ATOM 697 OE2 GLU A 120 7.549 9.205 4.136 1.00 0.00 O ATOM 0 H GLU A 120 3.572 11.559 6.321 1.00 0.00 H new ATOM 0 HA GLU A 120 3.386 11.264 3.486 1.00 0.00 H new ATOM 0 HB2 GLU A 120 4.139 9.413 5.791 1.00 0.00 H new ATOM 0 HB3 GLU A 120 4.203 8.902 4.116 1.00 0.00 H new ATOM 0 HG2 GLU A 120 5.743 10.794 3.577 1.00 0.00 H new ATOM 0 HG3 GLU A 120 5.647 11.362 5.232 1.00 0.00 H new ATOM 704 N VAL A 121 1.206 9.667 5.369 1.00 0.00 N ATOM 705 CA VAL A 121 -0.073 8.964 5.326 1.00 0.00 C ATOM 706 C VAL A 121 -1.133 9.849 4.677 1.00 0.00 C ATOM 707 O VAL A 121 -1.932 9.383 3.872 1.00 0.00 O ATOM 708 CB VAL A 121 -0.524 8.579 6.745 1.00 0.00 C ATOM 709 CG1 VAL A 121 -1.958 8.057 6.700 1.00 0.00 C ATOM 710 CG2 VAL A 121 0.379 7.480 7.323 1.00 0.00 C ATOM 0 H VAL A 121 1.560 9.851 6.308 1.00 0.00 H new ATOM 0 HA VAL A 121 0.052 8.056 4.736 1.00 0.00 H new ATOM 0 HB VAL A 121 -0.460 9.465 7.377 1.00 0.00 H new ATOM 0 HG11 VAL A 121 -2.278 7.784 7.706 1.00 0.00 H new ATOM 0 HG12 VAL A 121 -2.616 8.833 6.308 1.00 0.00 H new ATOM 0 HG13 VAL A 121 -2.006 7.181 6.054 1.00 0.00 H new ATOM 0 HG21 VAL A 121 0.042 7.223 8.327 1.00 0.00 H new ATOM 0 HG22 VAL A 121 0.330 6.597 6.687 1.00 0.00 H new ATOM 0 HG23 VAL A 121 1.407 7.839 7.366 1.00 0.00 H new ATOM 720 N ASP A 122 -1.154 11.127 5.038 1.00 0.00 N ATOM 721 CA ASP A 122 -2.153 12.029 4.481 1.00 0.00 C ATOM 722 C ASP A 122 -2.084 11.997 2.960 1.00 0.00 C ATOM 723 O ASP A 122 -3.113 11.998 2.284 1.00 0.00 O ATOM 724 CB ASP A 122 -1.911 13.454 4.981 1.00 0.00 C ATOM 725 CG ASP A 122 -2.282 13.560 6.457 1.00 0.00 C ATOM 726 OD1 ASP A 122 -2.917 12.644 6.954 1.00 0.00 O ATOM 727 OD2 ASP A 122 -1.924 14.553 7.067 1.00 0.00 O ATOM 0 H ASP A 122 -0.506 11.554 5.699 1.00 0.00 H new ATOM 0 HA ASP A 122 -3.143 11.705 4.803 1.00 0.00 H new ATOM 0 HB2 ASP A 122 -0.865 13.725 4.840 1.00 0.00 H new ATOM 0 HB3 ASP A 122 -2.504 14.158 4.397 1.00 0.00 H new ATOM 732 N GLU A 123 -0.872 11.937 2.427 1.00 0.00 N ATOM 733 CA GLU A 123 -0.696 11.865 0.983 1.00 0.00 C ATOM 734 C GLU A 123 -1.319 10.577 0.461 1.00 0.00 C ATOM 735 O GLU A 123 -1.915 10.549 -0.616 1.00 0.00 O ATOM 736 CB GLU A 123 0.795 11.863 0.627 1.00 0.00 C ATOM 737 CG GLU A 123 1.428 13.223 0.924 1.00 0.00 C ATOM 738 CD GLU A 123 0.777 14.316 0.082 1.00 0.00 C ATOM 739 OE1 GLU A 123 0.651 14.119 -1.115 1.00 0.00 O ATOM 740 OE2 GLU A 123 0.414 15.335 0.648 1.00 0.00 O ATOM 0 H GLU A 123 -0.005 11.937 2.965 1.00 0.00 H new ATOM 0 HA GLU A 123 -1.177 12.732 0.530 1.00 0.00 H new ATOM 0 HB2 GLU A 123 1.308 11.087 1.195 1.00 0.00 H new ATOM 0 HB3 GLU A 123 0.921 11.621 -0.428 1.00 0.00 H new ATOM 0 HG2 GLU A 123 1.317 13.458 1.983 1.00 0.00 H new ATOM 0 HG3 GLU A 123 2.497 13.185 0.716 1.00 0.00 H new ATOM 747 N MET A 124 -1.166 9.508 1.240 1.00 0.00 N ATOM 748 CA MET A 124 -1.702 8.205 0.869 1.00 0.00 C ATOM 749 C MET A 124 -3.225 8.199 0.955 1.00 0.00 C ATOM 750 O MET A 124 -3.903 7.609 0.115 1.00 0.00 O ATOM 751 CB MET A 124 -1.140 7.143 1.812 1.00 0.00 C ATOM 752 CG MET A 124 0.373 7.066 1.629 1.00 0.00 C ATOM 753 SD MET A 124 1.088 5.942 2.852 1.00 0.00 S ATOM 754 CE MET A 124 0.425 4.414 2.161 1.00 0.00 C ATOM 0 H MET A 124 -0.674 9.521 2.133 1.00 0.00 H new ATOM 0 HA MET A 124 -1.411 7.989 -0.159 1.00 0.00 H new ATOM 0 HB2 MET A 124 -1.382 7.391 2.845 1.00 0.00 H new ATOM 0 HB3 MET A 124 -1.594 6.175 1.602 1.00 0.00 H new ATOM 0 HG2 MET A 124 0.609 6.719 0.623 1.00 0.00 H new ATOM 0 HG3 MET A 124 0.811 8.058 1.735 1.00 0.00 H new ATOM 0 HE1 MET A 124 1.039 3.573 2.483 1.00 0.00 H new ATOM 0 HE2 MET A 124 -0.598 4.271 2.509 1.00 0.00 H new ATOM 0 HE3 MET A 124 0.433 4.473 1.073 1.00 0.00 H new ATOM 764 N ILE A 125 -3.750 8.853 1.988 1.00 0.00 N ATOM 765 CA ILE A 125 -5.193 8.918 2.201 1.00 0.00 C ATOM 766 C ILE A 125 -5.885 9.536 0.987 1.00 0.00 C ATOM 767 O ILE A 125 -6.960 9.092 0.583 1.00 0.00 O ATOM 768 CB ILE A 125 -5.473 9.732 3.475 1.00 0.00 C ATOM 769 CG1 ILE A 125 -5.866 8.790 4.625 1.00 0.00 C ATOM 770 CG2 ILE A 125 -6.586 10.765 3.251 1.00 0.00 C ATOM 771 CD1 ILE A 125 -4.728 7.801 4.906 1.00 0.00 C ATOM 0 H ILE A 125 -3.198 9.345 2.690 1.00 0.00 H new ATOM 0 HA ILE A 125 -5.593 7.912 2.328 1.00 0.00 H new ATOM 0 HB ILE A 125 -4.560 10.268 3.734 1.00 0.00 H new ATOM 0 HG12 ILE A 125 -6.085 9.369 5.522 1.00 0.00 H new ATOM 0 HG13 ILE A 125 -6.775 8.247 4.367 1.00 0.00 H new ATOM 0 HG21 ILE A 125 -6.757 11.322 4.173 1.00 0.00 H new ATOM 0 HG22 ILE A 125 -6.289 11.454 2.461 1.00 0.00 H new ATOM 0 HG23 ILE A 125 -7.504 10.254 2.961 1.00 0.00 H new ATOM 0 HD11 ILE A 125 -5.015 7.138 5.722 1.00 0.00 H new ATOM 0 HD12 ILE A 125 -4.530 7.211 4.011 1.00 0.00 H new ATOM 0 HD13 ILE A 125 -3.829 8.351 5.185 1.00 0.00 H new ATOM 783 N ARG A 126 -5.263 10.555 0.411 1.00 0.00 N ATOM 784 CA ARG A 126 -5.828 11.223 -0.757 1.00 0.00 C ATOM 785 C ARG A 126 -5.809 10.292 -1.966 1.00 0.00 C ATOM 786 O ARG A 126 -6.633 10.416 -2.872 1.00 0.00 O ATOM 787 CB ARG A 126 -5.028 12.491 -1.073 1.00 0.00 C ATOM 788 CG ARG A 126 -5.191 13.523 0.051 1.00 0.00 C ATOM 789 CD ARG A 126 -6.485 14.323 -0.141 1.00 0.00 C ATOM 790 NE ARG A 126 -6.600 15.346 0.892 1.00 0.00 N ATOM 791 CZ ARG A 126 -7.628 16.189 0.913 1.00 0.00 C ATOM 792 NH1 ARG A 126 -8.551 16.114 -0.006 1.00 0.00 N ATOM 793 NH2 ARG A 126 -7.712 17.092 1.851 1.00 0.00 N ATOM 0 H ARG A 126 -4.372 10.937 0.730 1.00 0.00 H new ATOM 0 HA ARG A 126 -6.861 11.492 -0.535 1.00 0.00 H new ATOM 0 HB2 ARG A 126 -3.974 12.242 -1.196 1.00 0.00 H new ATOM 0 HB3 ARG A 126 -5.367 12.916 -2.017 1.00 0.00 H new ATOM 0 HG2 ARG A 126 -5.208 13.018 1.017 1.00 0.00 H new ATOM 0 HG3 ARG A 126 -4.336 14.199 0.059 1.00 0.00 H new ATOM 0 HD2 ARG A 126 -6.491 14.788 -1.127 1.00 0.00 H new ATOM 0 HD3 ARG A 126 -7.345 13.654 -0.099 1.00 0.00 H new ATOM 0 HE ARG A 126 -5.880 15.416 1.611 1.00 0.00 H new ATOM 0 HH11 ARG A 126 -8.484 15.409 -0.740 1.00 0.00 H new ATOM 0 HH12 ARG A 126 -9.340 16.760 0.010 1.00 0.00 H new ATOM 0 HH21 ARG A 126 -6.989 17.151 2.568 1.00 0.00 H new ATOM 0 HH22 ARG A 126 -8.501 17.739 1.867 1.00 0.00 H new ATOM 807 N GLU A 127 -4.862 9.360 -1.973 1.00 0.00 N ATOM 808 CA GLU A 127 -4.744 8.410 -3.075 1.00 0.00 C ATOM 809 C GLU A 127 -5.462 7.101 -2.749 1.00 0.00 C ATOM 810 O GLU A 127 -5.591 6.225 -3.604 1.00 0.00 O ATOM 811 CB GLU A 127 -3.269 8.124 -3.362 1.00 0.00 C ATOM 812 CG GLU A 127 -2.559 9.427 -3.733 1.00 0.00 C ATOM 813 CD GLU A 127 -3.103 9.960 -5.055 1.00 0.00 C ATOM 814 OE1 GLU A 127 -3.679 9.178 -5.794 1.00 0.00 O ATOM 815 OE2 GLU A 127 -2.936 11.142 -5.309 1.00 0.00 O ATOM 0 H GLU A 127 -4.169 9.242 -1.234 1.00 0.00 H new ATOM 0 HA GLU A 127 -5.210 8.853 -3.955 1.00 0.00 H new ATOM 0 HB2 GLU A 127 -2.797 7.677 -2.487 1.00 0.00 H new ATOM 0 HB3 GLU A 127 -3.179 7.404 -4.175 1.00 0.00 H new ATOM 0 HG2 GLU A 127 -2.704 10.167 -2.946 1.00 0.00 H new ATOM 0 HG3 GLU A 127 -1.486 9.255 -3.815 1.00 0.00 H new ATOM 822 N ALA A 128 -5.913 6.970 -1.506 1.00 0.00 N ATOM 823 CA ALA A 128 -6.599 5.751 -1.080 1.00 0.00 C ATOM 824 C ALA A 128 -8.076 5.776 -1.483 1.00 0.00 C ATOM 825 O ALA A 128 -8.464 5.078 -2.415 1.00 0.00 O ATOM 826 CB ALA A 128 -6.467 5.591 0.440 1.00 0.00 C ATOM 0 H ALA A 128 -5.819 7.682 -0.782 1.00 0.00 H new ATOM 0 HA ALA A 128 -6.132 4.901 -1.577 1.00 0.00 H new ATOM 0 HB1 ALA A 128 -6.979 4.682 0.756 1.00 0.00 H new ATOM 0 HB2 ALA A 128 -5.413 5.526 0.709 1.00 0.00 H new ATOM 0 HB3 ALA A 128 -6.916 6.451 0.937 1.00 0.00 H new ATOM 832 N ASP A 129 -8.875 6.589 -0.781 1.00 0.00 N ATOM 833 CA ASP A 129 -10.318 6.722 -1.056 1.00 0.00 C ATOM 834 C ASP A 129 -11.037 7.291 0.161 1.00 0.00 C ATOM 835 O ASP A 129 -11.095 8.504 0.362 1.00 0.00 O ATOM 836 CB ASP A 129 -10.954 5.365 -1.390 1.00 0.00 C ATOM 837 CG ASP A 129 -12.477 5.475 -1.370 1.00 0.00 C ATOM 838 OD1 ASP A 129 -12.974 6.587 -1.435 1.00 0.00 O ATOM 839 OD2 ASP A 129 -13.123 4.443 -1.301 1.00 0.00 O ATOM 0 H ASP A 129 -8.546 7.171 -0.011 1.00 0.00 H new ATOM 0 HA ASP A 129 -10.421 7.391 -1.911 1.00 0.00 H new ATOM 0 HB2 ASP A 129 -10.619 5.031 -2.372 1.00 0.00 H new ATOM 0 HB3 ASP A 129 -10.627 4.615 -0.670 1.00 0.00 H new ATOM 844 N ILE A 130 -11.598 6.387 0.956 1.00 0.00 N ATOM 845 CA ILE A 130 -12.339 6.754 2.156 1.00 0.00 C ATOM 846 C ILE A 130 -13.562 7.593 1.803 1.00 0.00 C ATOM 847 O ILE A 130 -13.590 8.804 2.020 1.00 0.00 O ATOM 848 CB ILE A 130 -11.456 7.505 3.167 1.00 0.00 C ATOM 849 CG1 ILE A 130 -10.016 6.950 3.168 1.00 0.00 C ATOM 850 CG2 ILE A 130 -12.053 7.327 4.565 1.00 0.00 C ATOM 851 CD1 ILE A 130 -9.024 8.058 2.804 1.00 0.00 C ATOM 0 H ILE A 130 -11.552 5.382 0.787 1.00 0.00 H new ATOM 0 HA ILE A 130 -12.669 5.827 2.625 1.00 0.00 H new ATOM 0 HB ILE A 130 -11.422 8.558 2.887 1.00 0.00 H new ATOM 0 HG12 ILE A 130 -9.775 6.544 4.151 1.00 0.00 H new ATOM 0 HG13 ILE A 130 -9.934 6.129 2.455 1.00 0.00 H new ATOM 0 HG21 ILE A 130 -11.437 7.854 5.293 1.00 0.00 H new ATOM 0 HG22 ILE A 130 -13.064 7.733 4.583 1.00 0.00 H new ATOM 0 HG23 ILE A 130 -12.083 6.267 4.815 1.00 0.00 H new ATOM 0 HD11 ILE A 130 -8.011 7.655 2.808 1.00 0.00 H new ATOM 0 HD12 ILE A 130 -9.257 8.444 1.812 1.00 0.00 H new ATOM 0 HD13 ILE A 130 -9.096 8.865 3.533 1.00 0.00 H new ATOM 894 N GLY A 134 -15.054 4.148 4.729 1.00 0.00 N ATOM 895 CA GLY A 134 -13.744 3.763 5.240 1.00 0.00 C ATOM 896 C GLY A 134 -13.176 2.557 4.498 1.00 0.00 C ATOM 897 O GLY A 134 -12.595 1.667 5.119 1.00 0.00 O ATOM 0 HA2 GLY A 134 -13.056 4.604 5.147 1.00 0.00 H new ATOM 0 HA3 GLY A 134 -13.822 3.532 6.302 1.00 0.00 H new ATOM 901 N GLN A 135 -13.340 2.530 3.174 1.00 0.00 N ATOM 902 CA GLN A 135 -12.824 1.422 2.370 1.00 0.00 C ATOM 903 C GLN A 135 -11.924 1.929 1.252 1.00 0.00 C ATOM 904 O GLN A 135 -12.153 2.998 0.684 1.00 0.00 O ATOM 905 CB GLN A 135 -13.973 0.609 1.776 1.00 0.00 C ATOM 906 CG GLN A 135 -14.943 1.544 1.051 1.00 0.00 C ATOM 907 CD GLN A 135 -16.134 0.751 0.522 1.00 0.00 C ATOM 908 OE1 GLN A 135 -15.962 -0.167 -0.279 1.00 0.00 O ATOM 909 NE2 GLN A 135 -17.338 1.052 0.926 1.00 0.00 N ATOM 0 H GLN A 135 -13.821 3.255 2.641 1.00 0.00 H new ATOM 0 HA GLN A 135 -12.235 0.782 3.028 1.00 0.00 H new ATOM 0 HB2 GLN A 135 -13.584 -0.136 1.082 1.00 0.00 H new ATOM 0 HB3 GLN A 135 -14.495 0.068 2.565 1.00 0.00 H new ATOM 0 HG2 GLN A 135 -15.287 2.323 1.731 1.00 0.00 H new ATOM 0 HG3 GLN A 135 -14.433 2.043 0.227 1.00 0.00 H new ATOM 0 HE21 GLN A 135 -17.478 1.813 1.590 1.00 0.00 H new ATOM 0 HE22 GLN A 135 -18.139 0.526 0.578 1.00 0.00 H new ATOM 918 N VAL A 136 -10.892 1.148 0.953 1.00 0.00 N ATOM 919 CA VAL A 136 -9.933 1.500 -0.085 1.00 0.00 C ATOM 920 C VAL A 136 -9.728 0.364 -1.074 1.00 0.00 C ATOM 921 O VAL A 136 -9.531 -0.788 -0.687 1.00 0.00 O ATOM 922 CB VAL A 136 -8.592 1.858 0.553 1.00 0.00 C ATOM 923 CG1 VAL A 136 -7.500 1.852 -0.518 1.00 0.00 C ATOM 924 CG2 VAL A 136 -8.686 3.253 1.168 1.00 0.00 C ATOM 0 H VAL A 136 -10.698 0.261 1.419 1.00 0.00 H new ATOM 0 HA VAL A 136 -10.334 2.355 -0.629 1.00 0.00 H new ATOM 0 HB VAL A 136 -8.348 1.129 1.326 1.00 0.00 H new ATOM 0 HG11 VAL A 136 -6.543 2.107 -0.063 1.00 0.00 H new ATOM 0 HG12 VAL A 136 -7.436 0.861 -0.966 1.00 0.00 H new ATOM 0 HG13 VAL A 136 -7.742 2.584 -1.289 1.00 0.00 H new ATOM 0 HG21 VAL A 136 -7.732 3.514 1.625 1.00 0.00 H new ATOM 0 HG22 VAL A 136 -8.926 3.978 0.390 1.00 0.00 H new ATOM 0 HG23 VAL A 136 -9.467 3.264 1.928 1.00 0.00 H new ATOM 934 N ASN A 137 -9.745 0.706 -2.358 1.00 0.00 N ATOM 935 CA ASN A 137 -9.527 -0.284 -3.397 1.00 0.00 C ATOM 936 C ASN A 137 -8.036 -0.334 -3.741 1.00 0.00 C ATOM 937 O ASN A 137 -7.475 0.637 -4.245 1.00 0.00 O ATOM 938 CB ASN A 137 -10.340 0.073 -4.645 1.00 0.00 C ATOM 939 CG ASN A 137 -10.211 1.562 -4.958 1.00 0.00 C ATOM 940 OD1 ASN A 137 -9.103 2.079 -5.100 1.00 0.00 O ATOM 941 ND2 ASN A 137 -11.289 2.289 -5.074 1.00 0.00 N ATOM 0 H ASN A 137 -9.906 1.654 -2.698 1.00 0.00 H new ATOM 0 HA ASN A 137 -9.851 -1.261 -3.039 1.00 0.00 H new ATOM 0 HB2 ASN A 137 -9.991 -0.515 -5.494 1.00 0.00 H new ATOM 0 HB3 ASN A 137 -11.388 -0.183 -4.489 1.00 0.00 H new ATOM 0 HD21 ASN A 137 -11.213 3.285 -5.282 1.00 0.00 H new ATOM 0 HD22 ASN A 137 -12.208 1.861 -4.957 1.00 0.00 H new ATOM 948 N TYR A 138 -7.387 -1.453 -3.437 1.00 0.00 N ATOM 949 CA TYR A 138 -5.953 -1.580 -3.694 1.00 0.00 C ATOM 950 C TYR A 138 -5.618 -1.489 -5.182 1.00 0.00 C ATOM 951 O TYR A 138 -4.445 -1.430 -5.550 1.00 0.00 O ATOM 952 CB TYR A 138 -5.423 -2.902 -3.132 1.00 0.00 C ATOM 953 CG TYR A 138 -6.209 -4.067 -3.686 1.00 0.00 C ATOM 954 CD1 TYR A 138 -5.865 -4.626 -4.922 1.00 0.00 C ATOM 955 CD2 TYR A 138 -7.272 -4.601 -2.950 1.00 0.00 C ATOM 956 CE1 TYR A 138 -6.584 -5.719 -5.422 1.00 0.00 C ATOM 957 CE2 TYR A 138 -7.993 -5.691 -3.447 1.00 0.00 C ATOM 958 CZ TYR A 138 -7.650 -6.251 -4.683 1.00 0.00 C ATOM 959 OH TYR A 138 -8.360 -7.328 -5.175 1.00 0.00 O ATOM 0 H TYR A 138 -7.821 -2.275 -3.018 1.00 0.00 H new ATOM 0 HA TYR A 138 -5.468 -0.743 -3.191 1.00 0.00 H new ATOM 0 HB2 TYR A 138 -4.369 -3.014 -3.385 1.00 0.00 H new ATOM 0 HB3 TYR A 138 -5.491 -2.895 -2.044 1.00 0.00 H new ATOM 0 HD1 TYR A 138 -5.044 -4.214 -5.491 1.00 0.00 H new ATOM 0 HD2 TYR A 138 -7.536 -4.170 -1.996 1.00 0.00 H new ATOM 0 HE1 TYR A 138 -6.318 -6.151 -6.375 1.00 0.00 H new ATOM 0 HE2 TYR A 138 -8.814 -6.101 -2.877 1.00 0.00 H new ATOM 0 HH TYR A 138 -8.701 -7.864 -4.428 1.00 0.00 H new ATOM 969 N GLU A 139 -6.632 -1.490 -6.036 1.00 0.00 N ATOM 970 CA GLU A 139 -6.376 -1.420 -7.472 1.00 0.00 C ATOM 971 C GLU A 139 -5.615 -0.140 -7.825 1.00 0.00 C ATOM 972 O GLU A 139 -4.609 -0.190 -8.534 1.00 0.00 O ATOM 973 CB GLU A 139 -7.702 -1.467 -8.240 1.00 0.00 C ATOM 974 CG GLU A 139 -7.432 -1.425 -9.747 1.00 0.00 C ATOM 975 CD GLU A 139 -8.741 -1.567 -10.515 1.00 0.00 C ATOM 976 OE1 GLU A 139 -9.772 -1.689 -9.873 1.00 0.00 O ATOM 977 OE2 GLU A 139 -8.693 -1.555 -11.734 1.00 0.00 O ATOM 0 H GLU A 139 -7.616 -1.537 -5.772 1.00 0.00 H new ATOM 0 HA GLU A 139 -5.763 -2.275 -7.756 1.00 0.00 H new ATOM 0 HB2 GLU A 139 -8.248 -2.375 -7.985 1.00 0.00 H new ATOM 0 HB3 GLU A 139 -8.330 -0.625 -7.950 1.00 0.00 H new ATOM 0 HG2 GLU A 139 -6.945 -0.486 -10.012 1.00 0.00 H new ATOM 0 HG3 GLU A 139 -6.749 -2.228 -10.025 1.00 0.00 H new ATOM 984 N GLU A 140 -6.102 1.005 -7.352 1.00 0.00 N ATOM 985 CA GLU A 140 -5.456 2.281 -7.657 1.00 0.00 C ATOM 986 C GLU A 140 -4.023 2.319 -7.136 1.00 0.00 C ATOM 987 O GLU A 140 -3.129 2.825 -7.812 1.00 0.00 O ATOM 988 CB GLU A 140 -6.255 3.431 -7.040 1.00 0.00 C ATOM 989 CG GLU A 140 -7.577 3.595 -7.792 1.00 0.00 C ATOM 990 CD GLU A 140 -8.445 4.640 -7.098 1.00 0.00 C ATOM 991 OE1 GLU A 140 -8.096 5.036 -5.998 1.00 0.00 O ATOM 992 OE2 GLU A 140 -9.445 5.028 -7.677 1.00 0.00 O ATOM 0 H GLU A 140 -6.932 1.077 -6.763 1.00 0.00 H new ATOM 0 HA GLU A 140 -5.428 2.390 -8.741 1.00 0.00 H new ATOM 0 HB2 GLU A 140 -6.446 3.230 -5.986 1.00 0.00 H new ATOM 0 HB3 GLU A 140 -5.679 4.355 -7.089 1.00 0.00 H new ATOM 0 HG2 GLU A 140 -7.384 3.896 -8.822 1.00 0.00 H new ATOM 0 HG3 GLU A 140 -8.103 2.641 -7.832 1.00 0.00 H new ATOM 999 N PHE A 141 -3.804 1.764 -5.952 1.00 0.00 N ATOM 1000 CA PHE A 141 -2.458 1.732 -5.384 1.00 0.00 C ATOM 1001 C PHE A 141 -1.529 0.949 -6.305 1.00 0.00 C ATOM 1002 O PHE A 141 -0.405 1.374 -6.572 1.00 0.00 O ATOM 1003 CB PHE A 141 -2.479 1.086 -3.995 1.00 0.00 C ATOM 1004 CG PHE A 141 -2.503 2.157 -2.927 1.00 0.00 C ATOM 1005 CD1 PHE A 141 -1.347 2.908 -2.677 1.00 0.00 C ATOM 1006 CD2 PHE A 141 -3.663 2.390 -2.170 1.00 0.00 C ATOM 1007 CE1 PHE A 141 -1.348 3.890 -1.681 1.00 0.00 C ATOM 1008 CE2 PHE A 141 -3.660 3.371 -1.170 1.00 0.00 C ATOM 1009 CZ PHE A 141 -2.504 4.121 -0.927 1.00 0.00 C ATOM 0 H PHE A 141 -4.526 1.336 -5.372 1.00 0.00 H new ATOM 0 HA PHE A 141 -2.094 2.755 -5.288 1.00 0.00 H new ATOM 0 HB2 PHE A 141 -3.354 0.443 -3.897 1.00 0.00 H new ATOM 0 HB3 PHE A 141 -1.602 0.452 -3.866 1.00 0.00 H new ATOM 0 HD1 PHE A 141 -0.453 2.728 -3.255 1.00 0.00 H new ATOM 0 HD2 PHE A 141 -4.556 1.813 -2.359 1.00 0.00 H new ATOM 0 HE1 PHE A 141 -0.456 4.470 -1.494 1.00 0.00 H new ATOM 0 HE2 PHE A 141 -4.551 3.549 -0.586 1.00 0.00 H new ATOM 0 HZ PHE A 141 -2.504 4.878 -0.157 1.00 0.00 H new ATOM 1019 N VAL A 142 -2.009 -0.187 -6.801 1.00 0.00 N ATOM 1020 CA VAL A 142 -1.213 -1.004 -7.707 1.00 0.00 C ATOM 1021 C VAL A 142 -0.948 -0.275 -9.018 1.00 0.00 C ATOM 1022 O VAL A 142 0.187 -0.243 -9.494 1.00 0.00 O ATOM 1023 CB VAL A 142 -1.914 -2.335 -7.964 1.00 0.00 C ATOM 1024 CG1 VAL A 142 -1.208 -3.076 -9.102 1.00 0.00 C ATOM 1025 CG2 VAL A 142 -1.833 -3.177 -6.692 1.00 0.00 C ATOM 0 H VAL A 142 -2.936 -0.559 -6.593 1.00 0.00 H new ATOM 0 HA VAL A 142 -0.250 -1.198 -7.235 1.00 0.00 H new ATOM 0 HB VAL A 142 -2.954 -2.161 -8.239 1.00 0.00 H new ATOM 0 HG11 VAL A 142 -1.710 -4.026 -9.284 1.00 0.00 H new ATOM 0 HG12 VAL A 142 -1.241 -2.469 -10.007 1.00 0.00 H new ATOM 0 HG13 VAL A 142 -0.170 -3.261 -8.827 1.00 0.00 H new ATOM 0 HG21 VAL A 142 -2.329 -4.133 -6.857 1.00 0.00 H new ATOM 0 HG22 VAL A 142 -0.788 -3.350 -6.436 1.00 0.00 H new ATOM 0 HG23 VAL A 142 -2.324 -2.649 -5.874 1.00 0.00 H new ATOM 1035 N GLN A 143 -1.984 0.333 -9.598 1.00 0.00 N ATOM 1036 CA GLN A 143 -1.795 1.070 -10.841 1.00 0.00 C ATOM 1037 C GLN A 143 -0.848 2.230 -10.588 1.00 0.00 C ATOM 1038 O GLN A 143 0.048 2.504 -11.382 1.00 0.00 O ATOM 1039 CB GLN A 143 -3.134 1.592 -11.368 1.00 0.00 C ATOM 1040 CG GLN A 143 -3.974 0.422 -11.878 1.00 0.00 C ATOM 1041 CD GLN A 143 -5.289 0.940 -12.446 1.00 0.00 C ATOM 1042 OE1 GLN A 143 -5.314 1.971 -13.119 1.00 0.00 O ATOM 1043 NE2 GLN A 143 -6.389 0.280 -12.219 1.00 0.00 N ATOM 0 H GLN A 143 -2.938 0.330 -9.236 1.00 0.00 H new ATOM 0 HA GLN A 143 -1.371 0.403 -11.592 1.00 0.00 H new ATOM 0 HB2 GLN A 143 -3.668 2.119 -10.577 1.00 0.00 H new ATOM 0 HB3 GLN A 143 -2.966 2.310 -12.171 1.00 0.00 H new ATOM 0 HG2 GLN A 143 -3.426 -0.124 -12.646 1.00 0.00 H new ATOM 0 HG3 GLN A 143 -4.169 -0.279 -11.066 1.00 0.00 H new ATOM 0 HE21 GLN A 143 -6.366 -0.574 -11.661 1.00 0.00 H new ATOM 0 HE22 GLN A 143 -7.274 0.617 -12.599 1.00 0.00 H new ATOM 1052 N MET A 144 -1.037 2.877 -9.446 1.00 0.00 N ATOM 1053 CA MET A 144 -0.185 3.984 -9.045 1.00 0.00 C ATOM 1054 C MET A 144 1.253 3.491 -8.918 1.00 0.00 C ATOM 1055 O MET A 144 2.181 4.117 -9.431 1.00 0.00 O ATOM 1056 CB MET A 144 -0.714 4.548 -7.715 1.00 0.00 C ATOM 1057 CG MET A 144 0.393 5.241 -6.923 1.00 0.00 C ATOM 1058 SD MET A 144 -0.324 6.561 -5.911 1.00 0.00 S ATOM 1059 CE MET A 144 -0.540 5.602 -4.392 1.00 0.00 C ATOM 0 H MET A 144 -1.776 2.652 -8.780 1.00 0.00 H new ATOM 0 HA MET A 144 -0.199 4.780 -9.790 1.00 0.00 H new ATOM 0 HB2 MET A 144 -1.519 5.256 -7.913 1.00 0.00 H new ATOM 0 HB3 MET A 144 -1.139 3.740 -7.119 1.00 0.00 H new ATOM 0 HG2 MET A 144 0.907 4.519 -6.288 1.00 0.00 H new ATOM 0 HG3 MET A 144 1.138 5.654 -7.603 1.00 0.00 H new ATOM 0 HE1 MET A 144 -0.230 6.201 -3.536 1.00 0.00 H new ATOM 0 HE2 MET A 144 -1.589 5.327 -4.281 1.00 0.00 H new ATOM 0 HE3 MET A 144 0.069 4.699 -4.442 1.00 0.00 H new ATOM 1069 N MET A 145 1.430 2.369 -8.233 1.00 0.00 N ATOM 1070 CA MET A 145 2.758 1.800 -8.045 1.00 0.00 C ATOM 1071 C MET A 145 3.300 1.188 -9.335 1.00 0.00 C ATOM 1072 O MET A 145 4.507 0.973 -9.460 1.00 0.00 O ATOM 1073 CB MET A 145 2.714 0.731 -6.950 1.00 0.00 C ATOM 1074 CG MET A 145 3.110 1.363 -5.615 1.00 0.00 C ATOM 1075 SD MET A 145 3.063 0.106 -4.318 1.00 0.00 S ATOM 1076 CE MET A 145 1.602 0.732 -3.461 1.00 0.00 C ATOM 0 H MET A 145 0.675 1.837 -7.800 1.00 0.00 H new ATOM 0 HA MET A 145 3.426 2.609 -7.750 1.00 0.00 H new ATOM 0 HB2 MET A 145 1.713 0.304 -6.882 1.00 0.00 H new ATOM 0 HB3 MET A 145 3.393 -0.086 -7.195 1.00 0.00 H new ATOM 0 HG2 MET A 145 4.110 1.791 -5.685 1.00 0.00 H new ATOM 0 HG3 MET A 145 2.430 2.179 -5.371 1.00 0.00 H new ATOM 0 HE1 MET A 145 1.193 -0.050 -2.821 1.00 0.00 H new ATOM 0 HE2 MET A 145 1.878 1.592 -2.852 1.00 0.00 H new ATOM 0 HE3 MET A 145 0.852 1.032 -4.193 1.00 0.00 H new ATOM 1214 N ASP B 35 0.044 -11.069 14.150 1.00 0.00 N ATOM 1215 CA ASP B 35 1.061 -12.032 14.575 1.00 0.00 C ATOM 1216 C ASP B 35 1.833 -12.615 13.392 1.00 0.00 C ATOM 1217 O ASP B 35 3.050 -12.787 13.466 1.00 0.00 O ATOM 1218 CB ASP B 35 0.401 -13.170 15.354 1.00 0.00 C ATOM 1219 CG ASP B 35 1.464 -14.127 15.882 1.00 0.00 C ATOM 1220 OD1 ASP B 35 2.231 -13.716 16.736 1.00 0.00 O ATOM 1221 OD2 ASP B 35 1.495 -15.258 15.424 1.00 0.00 O ATOM 0 HA ASP B 35 1.770 -11.498 15.208 1.00 0.00 H new ATOM 0 HB2 ASP B 35 -0.179 -12.765 16.183 1.00 0.00 H new ATOM 0 HB3 ASP B 35 -0.295 -13.707 14.710 1.00 0.00 H new ATOM 1226 N ALA B 36 1.126 -12.941 12.315 1.00 0.00 N ATOM 1227 CA ALA B 36 1.776 -13.530 11.148 1.00 0.00 C ATOM 1228 C ALA B 36 2.840 -12.578 10.577 1.00 0.00 C ATOM 1229 O ALA B 36 2.586 -11.380 10.447 1.00 0.00 O ATOM 1230 CB ALA B 36 0.733 -13.830 10.070 1.00 0.00 C ATOM 0 H ALA B 36 0.118 -12.810 12.225 1.00 0.00 H new ATOM 0 HA ALA B 36 2.263 -14.455 11.458 1.00 0.00 H new ATOM 0 HB1 ALA B 36 1.224 -14.269 9.201 1.00 0.00 H new ATOM 0 HB2 ALA B 36 -0.005 -14.530 10.462 1.00 0.00 H new ATOM 0 HB3 ALA B 36 0.236 -12.905 9.777 1.00 0.00 H new ATOM 1236 N PRO B 37 4.019 -13.068 10.238 1.00 0.00 N ATOM 1237 CA PRO B 37 5.105 -12.211 9.679 1.00 0.00 C ATOM 1238 C PRO B 37 4.801 -11.736 8.262 1.00 0.00 C ATOM 1239 O PRO B 37 5.341 -10.729 7.804 1.00 0.00 O ATOM 1240 CB PRO B 37 6.334 -13.111 9.701 1.00 0.00 C ATOM 1241 CG PRO B 37 5.791 -14.484 9.601 1.00 0.00 C ATOM 1242 CD PRO B 37 4.453 -14.474 10.332 1.00 0.00 C ATOM 0 HA PRO B 37 5.234 -11.296 10.258 1.00 0.00 H new ATOM 0 HB2 PRO B 37 7.004 -12.888 8.871 1.00 0.00 H new ATOM 0 HB3 PRO B 37 6.907 -12.977 10.618 1.00 0.00 H new ATOM 0 HG2 PRO B 37 5.661 -14.775 8.559 1.00 0.00 H new ATOM 0 HG3 PRO B 37 6.474 -15.205 10.051 1.00 0.00 H new ATOM 0 HD2 PRO B 37 3.735 -15.148 9.864 1.00 0.00 H new ATOM 0 HD3 PRO B 37 4.560 -14.792 11.369 1.00 0.00 H new ATOM 1250 N GLU B 38 3.936 -12.473 7.573 1.00 0.00 N ATOM 1251 CA GLU B 38 3.570 -12.124 6.207 1.00 0.00 C ATOM 1252 C GLU B 38 2.881 -10.762 6.166 1.00 0.00 C ATOM 1253 O GLU B 38 3.115 -9.966 5.257 1.00 0.00 O ATOM 1254 CB GLU B 38 2.632 -13.187 5.630 1.00 0.00 C ATOM 1255 CG GLU B 38 3.399 -14.496 5.433 1.00 0.00 C ATOM 1256 CD GLU B 38 4.408 -14.345 4.300 1.00 0.00 C ATOM 1257 OE1 GLU B 38 4.283 -13.393 3.546 1.00 0.00 O ATOM 1258 OE2 GLU B 38 5.290 -15.181 4.202 1.00 0.00 O ATOM 0 H GLU B 38 3.479 -13.310 7.936 1.00 0.00 H new ATOM 0 HA GLU B 38 4.480 -12.077 5.609 1.00 0.00 H new ATOM 0 HB2 GLU B 38 1.789 -13.346 6.302 1.00 0.00 H new ATOM 0 HB3 GLU B 38 2.222 -12.847 4.679 1.00 0.00 H new ATOM 0 HG2 GLU B 38 3.913 -14.768 6.355 1.00 0.00 H new ATOM 0 HG3 GLU B 38 2.703 -15.304 5.206 1.00 0.00 H new ATOM 1265 N THR B 39 2.026 -10.502 7.152 1.00 0.00 N ATOM 1266 CA THR B 39 1.307 -9.233 7.208 1.00 0.00 C ATOM 1267 C THR B 39 2.278 -8.065 7.330 1.00 0.00 C ATOM 1268 O THR B 39 2.186 -7.091 6.582 1.00 0.00 O ATOM 1269 CB THR B 39 0.350 -9.232 8.401 1.00 0.00 C ATOM 1270 OG1 THR B 39 -0.604 -10.272 8.244 1.00 0.00 O ATOM 1271 CG2 THR B 39 -0.369 -7.885 8.480 1.00 0.00 C ATOM 0 H THR B 39 1.816 -11.145 7.915 1.00 0.00 H new ATOM 0 HA THR B 39 0.740 -9.118 6.284 1.00 0.00 H new ATOM 0 HB THR B 39 0.915 -9.394 9.319 1.00 0.00 H new ATOM 0 HG1 THR B 39 -1.216 -10.273 9.009 1.00 0.00 H new ATOM 0 HG21 THR B 39 -1.051 -7.886 9.331 1.00 0.00 H new ATOM 0 HG22 THR B 39 0.364 -7.088 8.603 1.00 0.00 H new ATOM 0 HG23 THR B 39 -0.934 -7.720 7.563 1.00 0.00 H new ATOM 1279 N GLU B 40 3.217 -8.171 8.261 1.00 0.00 N ATOM 1280 CA GLU B 40 4.207 -7.118 8.449 1.00 0.00 C ATOM 1281 C GLU B 40 5.084 -7.022 7.210 1.00 0.00 C ATOM 1282 O GLU B 40 5.425 -5.932 6.749 1.00 0.00 O ATOM 1283 CB GLU B 40 5.070 -7.420 9.677 1.00 0.00 C ATOM 1284 CG GLU B 40 6.059 -6.275 9.906 1.00 0.00 C ATOM 1285 CD GLU B 40 6.877 -6.537 11.166 1.00 0.00 C ATOM 1286 OE1 GLU B 40 6.654 -7.562 11.789 1.00 0.00 O ATOM 1287 OE2 GLU B 40 7.713 -5.710 11.489 1.00 0.00 O ATOM 0 H GLU B 40 3.314 -8.966 8.892 1.00 0.00 H new ATOM 0 HA GLU B 40 3.696 -6.168 8.606 1.00 0.00 H new ATOM 0 HB2 GLU B 40 4.438 -7.548 10.555 1.00 0.00 H new ATOM 0 HB3 GLU B 40 5.609 -8.356 9.533 1.00 0.00 H new ATOM 0 HG2 GLU B 40 6.722 -6.178 9.046 1.00 0.00 H new ATOM 0 HG3 GLU B 40 5.521 -5.332 10.001 1.00 0.00 H new ATOM 1294 N ARG B 41 5.438 -8.185 6.679 1.00 0.00 N ATOM 1295 CA ARG B 41 6.273 -8.270 5.488 1.00 0.00 C ATOM 1296 C ARG B 41 5.585 -7.582 4.312 1.00 0.00 C ATOM 1297 O ARG B 41 6.205 -6.817 3.575 1.00 0.00 O ATOM 1298 CB ARG B 41 6.497 -9.750 5.163 1.00 0.00 C ATOM 1299 CG ARG B 41 7.428 -9.941 3.956 1.00 0.00 C ATOM 1300 CD ARG B 41 8.873 -9.585 4.329 1.00 0.00 C ATOM 1301 NE ARG B 41 9.787 -10.029 3.283 1.00 0.00 N ATOM 1302 CZ ARG B 41 11.097 -9.838 3.391 1.00 0.00 C ATOM 1303 NH1 ARG B 41 11.588 -9.262 4.454 1.00 0.00 N ATOM 1304 NH2 ARG B 41 11.895 -10.233 2.436 1.00 0.00 N ATOM 0 H ARG B 41 5.157 -9.089 7.058 1.00 0.00 H new ATOM 0 HA ARG B 41 7.227 -7.773 5.668 1.00 0.00 H new ATOM 0 HB2 ARG B 41 6.923 -10.251 6.032 1.00 0.00 H new ATOM 0 HB3 ARG B 41 5.538 -10.225 4.959 1.00 0.00 H new ATOM 0 HG2 ARG B 41 7.379 -10.974 3.612 1.00 0.00 H new ATOM 0 HG3 ARG B 41 7.095 -9.314 3.129 1.00 0.00 H new ATOM 0 HD2 ARG B 41 8.965 -8.508 4.470 1.00 0.00 H new ATOM 0 HD3 ARG B 41 9.138 -10.054 5.277 1.00 0.00 H new ATOM 0 HE ARG B 41 9.414 -10.494 2.455 1.00 0.00 H new ATOM 0 HH11 ARG B 41 10.966 -8.958 5.203 1.00 0.00 H new ATOM 0 HH12 ARG B 41 12.594 -9.116 4.536 1.00 0.00 H new ATOM 0 HH21 ARG B 41 11.512 -10.688 1.607 1.00 0.00 H new ATOM 0 HH22 ARG B 41 12.901 -10.086 2.519 1.00 0.00 H new ATOM 1318 N ALA B 42 4.295 -7.865 4.148 1.00 0.00 N ATOM 1319 CA ALA B 42 3.521 -7.274 3.063 1.00 0.00 C ATOM 1320 C ALA B 42 3.488 -5.758 3.201 1.00 0.00 C ATOM 1321 O ALA B 42 3.570 -5.029 2.211 1.00 0.00 O ATOM 1322 CB ALA B 42 2.093 -7.823 3.082 1.00 0.00 C ATOM 0 H ALA B 42 3.767 -8.497 4.750 1.00 0.00 H new ATOM 0 HA ALA B 42 3.995 -7.533 2.116 1.00 0.00 H new ATOM 0 HB1 ALA B 42 1.521 -7.377 2.269 1.00 0.00 H new ATOM 0 HB2 ALA B 42 2.118 -8.906 2.957 1.00 0.00 H new ATOM 0 HB3 ALA B 42 1.622 -7.578 4.034 1.00 0.00 H new ATOM 1328 N ALA B 43 3.369 -5.291 4.438 1.00 0.00 N ATOM 1329 CA ALA B 43 3.325 -3.860 4.704 1.00 0.00 C ATOM 1330 C ALA B 43 4.609 -3.187 4.228 1.00 0.00 C ATOM 1331 O ALA B 43 4.579 -2.078 3.699 1.00 0.00 O ATOM 1332 CB ALA B 43 3.145 -3.616 6.204 1.00 0.00 C ATOM 0 H ALA B 43 3.302 -5.880 5.268 1.00 0.00 H new ATOM 0 HA ALA B 43 2.482 -3.433 4.161 1.00 0.00 H new ATOM 0 HB1 ALA B 43 3.113 -2.544 6.397 1.00 0.00 H new ATOM 0 HB2 ALA B 43 2.213 -4.073 6.538 1.00 0.00 H new ATOM 0 HB3 ALA B 43 3.981 -4.057 6.747 1.00 0.00 H new ATOM 1338 N VAL B 44 5.736 -3.862 4.427 1.00 0.00 N ATOM 1339 CA VAL B 44 7.025 -3.310 4.022 1.00 0.00 C ATOM 1340 C VAL B 44 7.071 -3.057 2.517 1.00 0.00 C ATOM 1341 O VAL B 44 7.513 -1.997 2.075 1.00 0.00 O ATOM 1342 CB VAL B 44 8.150 -4.272 4.405 1.00 0.00 C ATOM 1343 CG1 VAL B 44 9.461 -3.799 3.775 1.00 0.00 C ATOM 1344 CG2 VAL B 44 8.301 -4.302 5.926 1.00 0.00 C ATOM 0 H VAL B 44 5.784 -4.783 4.862 1.00 0.00 H new ATOM 0 HA VAL B 44 7.157 -2.360 4.539 1.00 0.00 H new ATOM 0 HB VAL B 44 7.910 -5.272 4.043 1.00 0.00 H new ATOM 0 HG11 VAL B 44 10.264 -4.484 4.048 1.00 0.00 H new ATOM 0 HG12 VAL B 44 9.356 -3.776 2.690 1.00 0.00 H new ATOM 0 HG13 VAL B 44 9.699 -2.799 4.138 1.00 0.00 H new ATOM 0 HG21 VAL B 44 9.103 -4.988 6.199 1.00 0.00 H new ATOM 0 HG22 VAL B 44 8.540 -3.302 6.288 1.00 0.00 H new ATOM 0 HG23 VAL B 44 7.368 -4.638 6.378 1.00 0.00 H new ATOM 1354 N ALA B 45 6.623 -4.033 1.731 1.00 0.00 N ATOM 1355 CA ALA B 45 6.640 -3.882 0.280 1.00 0.00 C ATOM 1356 C ALA B 45 5.775 -2.705 -0.153 1.00 0.00 C ATOM 1357 O ALA B 45 6.194 -1.881 -0.960 1.00 0.00 O ATOM 1358 CB ALA B 45 6.127 -5.162 -0.383 1.00 0.00 C ATOM 0 H ALA B 45 6.250 -4.921 2.067 1.00 0.00 H new ATOM 0 HA ALA B 45 7.668 -3.694 -0.031 1.00 0.00 H new ATOM 0 HB1 ALA B 45 6.142 -5.042 -1.466 1.00 0.00 H new ATOM 0 HB2 ALA B 45 6.766 -5.999 -0.101 1.00 0.00 H new ATOM 0 HB3 ALA B 45 5.106 -5.358 -0.054 1.00 0.00 H new ATOM 1364 N ILE B 46 4.570 -2.623 0.395 1.00 0.00 N ATOM 1365 CA ILE B 46 3.669 -1.532 0.056 1.00 0.00 C ATOM 1366 C ILE B 46 4.236 -0.191 0.511 1.00 0.00 C ATOM 1367 O ILE B 46 4.247 0.780 -0.246 1.00 0.00 O ATOM 1368 CB ILE B 46 2.309 -1.770 0.707 1.00 0.00 C ATOM 1369 CG1 ILE B 46 1.636 -2.965 0.027 1.00 0.00 C ATOM 1370 CG2 ILE B 46 1.434 -0.526 0.547 1.00 0.00 C ATOM 1371 CD1 ILE B 46 0.431 -3.410 0.852 1.00 0.00 C ATOM 0 H ILE B 46 4.197 -3.292 1.069 1.00 0.00 H new ATOM 0 HA ILE B 46 3.556 -1.502 -1.028 1.00 0.00 H new ATOM 0 HB ILE B 46 2.441 -1.976 1.769 1.00 0.00 H new ATOM 0 HG12 ILE B 46 1.320 -2.693 -0.980 1.00 0.00 H new ATOM 0 HG13 ILE B 46 2.345 -3.787 -0.073 1.00 0.00 H new ATOM 0 HG21 ILE B 46 0.464 -0.701 1.013 1.00 0.00 H new ATOM 0 HG22 ILE B 46 1.919 0.324 1.026 1.00 0.00 H new ATOM 0 HG23 ILE B 46 1.294 -0.314 -0.513 1.00 0.00 H new ATOM 0 HD11 ILE B 46 -0.048 -4.261 0.367 1.00 0.00 H new ATOM 0 HD12 ILE B 46 0.760 -3.699 1.850 1.00 0.00 H new ATOM 0 HD13 ILE B 46 -0.281 -2.588 0.929 1.00 0.00 H new ATOM 1383 N GLN B 47 4.702 -0.148 1.754 1.00 0.00 N ATOM 1384 CA GLN B 47 5.264 1.078 2.309 1.00 0.00 C ATOM 1385 C GLN B 47 6.551 1.475 1.589 1.00 0.00 C ATOM 1386 O GLN B 47 6.777 2.652 1.312 1.00 0.00 O ATOM 1387 CB GLN B 47 5.538 0.882 3.801 1.00 0.00 C ATOM 1388 CG GLN B 47 4.205 0.803 4.551 1.00 0.00 C ATOM 1389 CD GLN B 47 4.446 0.528 6.029 1.00 0.00 C ATOM 1390 OE1 GLN B 47 5.410 1.030 6.606 1.00 0.00 O ATOM 1391 NE2 GLN B 47 3.620 -0.243 6.680 1.00 0.00 N ATOM 0 H GLN B 47 4.702 -0.943 2.393 1.00 0.00 H new ATOM 0 HA GLN B 47 4.542 1.882 2.169 1.00 0.00 H new ATOM 0 HB2 GLN B 47 6.114 -0.030 3.961 1.00 0.00 H new ATOM 0 HB3 GLN B 47 6.137 1.708 4.185 1.00 0.00 H new ATOM 0 HG2 GLN B 47 3.657 1.738 4.433 1.00 0.00 H new ATOM 0 HG3 GLN B 47 3.586 0.014 4.124 1.00 0.00 H new ATOM 0 HE21 GLN B 47 2.822 -0.657 6.198 1.00 0.00 H new ATOM 0 HE22 GLN B 47 3.772 -0.432 7.671 1.00 0.00 H new ATOM 1400 N SER B 48 7.389 0.489 1.285 1.00 0.00 N ATOM 1401 CA SER B 48 8.645 0.757 0.594 1.00 0.00 C ATOM 1402 C SER B 48 8.381 1.350 -0.787 1.00 0.00 C ATOM 1403 O SER B 48 9.017 2.323 -1.192 1.00 0.00 O ATOM 1404 CB SER B 48 9.452 -0.534 0.451 1.00 0.00 C ATOM 1405 OG SER B 48 10.669 -0.255 -0.229 1.00 0.00 O ATOM 0 H SER B 48 7.224 -0.493 1.504 1.00 0.00 H new ATOM 0 HA SER B 48 9.214 1.476 1.184 1.00 0.00 H new ATOM 0 HB2 SER B 48 9.660 -0.957 1.434 1.00 0.00 H new ATOM 0 HB3 SER B 48 8.876 -1.277 -0.101 1.00 0.00 H new ATOM 0 HG SER B 48 11.189 -1.080 -0.321 1.00 0.00 H new ATOM 1411 N GLN B 49 7.434 0.753 -1.502 1.00 0.00 N ATOM 1412 CA GLN B 49 7.078 1.218 -2.837 1.00 0.00 C ATOM 1413 C GLN B 49 6.489 2.626 -2.792 1.00 0.00 C ATOM 1414 O GLN B 49 6.752 3.442 -3.675 1.00 0.00 O ATOM 1415 CB GLN B 49 6.084 0.250 -3.479 1.00 0.00 C ATOM 1416 CG GLN B 49 6.790 -1.066 -3.824 1.00 0.00 C ATOM 1417 CD GLN B 49 7.807 -0.846 -4.941 1.00 0.00 C ATOM 1418 OE1 GLN B 49 7.511 -0.170 -5.926 1.00 0.00 O ATOM 1419 NE2 GLN B 49 8.994 -1.378 -4.844 1.00 0.00 N ATOM 0 H GLN B 49 6.899 -0.054 -1.180 1.00 0.00 H new ATOM 0 HA GLN B 49 7.986 1.252 -3.439 1.00 0.00 H new ATOM 0 HB2 GLN B 49 5.255 0.061 -2.797 1.00 0.00 H new ATOM 0 HB3 GLN B 49 5.661 0.693 -4.380 1.00 0.00 H new ATOM 0 HG2 GLN B 49 7.291 -1.460 -2.940 1.00 0.00 H new ATOM 0 HG3 GLN B 49 6.056 -1.810 -4.133 1.00 0.00 H new ATOM 0 HE21 GLN B 49 9.237 -1.938 -4.027 1.00 0.00 H new ATOM 0 HE22 GLN B 49 9.679 -1.234 -5.586 1.00 0.00 H new ATOM 1428 N PHE B 50 5.692 2.909 -1.766 1.00 0.00 N ATOM 1429 CA PHE B 50 5.080 4.228 -1.639 1.00 0.00 C ATOM 1430 C PHE B 50 6.156 5.309 -1.594 1.00 0.00 C ATOM 1431 O PHE B 50 6.066 6.314 -2.298 1.00 0.00 O ATOM 1432 CB PHE B 50 4.207 4.302 -0.378 1.00 0.00 C ATOM 1433 CG PHE B 50 3.681 5.711 -0.221 1.00 0.00 C ATOM 1434 CD1 PHE B 50 2.831 6.249 -1.194 1.00 0.00 C ATOM 1435 CD2 PHE B 50 4.066 6.491 0.881 1.00 0.00 C ATOM 1436 CE1 PHE B 50 2.361 7.564 -1.066 1.00 0.00 C ATOM 1437 CE2 PHE B 50 3.599 7.806 1.005 1.00 0.00 C ATOM 1438 CZ PHE B 50 2.747 8.342 0.033 1.00 0.00 C ATOM 0 H PHE B 50 5.457 2.254 -1.020 1.00 0.00 H new ATOM 0 HA PHE B 50 4.446 4.396 -2.510 1.00 0.00 H new ATOM 0 HB2 PHE B 50 3.378 3.598 -0.453 1.00 0.00 H new ATOM 0 HB3 PHE B 50 4.789 4.018 0.499 1.00 0.00 H new ATOM 0 HD1 PHE B 50 2.537 5.651 -2.044 1.00 0.00 H new ATOM 0 HD2 PHE B 50 4.722 6.077 1.633 1.00 0.00 H new ATOM 0 HE1 PHE B 50 1.701 7.977 -1.815 1.00 0.00 H new ATOM 0 HE2 PHE B 50 3.897 8.407 1.852 1.00 0.00 H new ATOM 0 HZ PHE B 50 2.387 9.356 0.130 1.00 0.00 H new ATOM 1448 N ARG B 51 7.176 5.093 -0.772 1.00 0.00 N ATOM 1449 CA ARG B 51 8.266 6.055 -0.657 1.00 0.00 C ATOM 1450 C ARG B 51 8.956 6.236 -2.009 1.00 0.00 C ATOM 1451 O ARG B 51 9.302 7.351 -2.396 1.00 0.00 O ATOM 1452 CB ARG B 51 9.282 5.574 0.383 1.00 0.00 C ATOM 1453 CG ARG B 51 10.361 6.642 0.588 1.00 0.00 C ATOM 1454 CD ARG B 51 11.389 6.140 1.604 1.00 0.00 C ATOM 1455 NE ARG B 51 10.754 5.923 2.898 1.00 0.00 N ATOM 1456 CZ ARG B 51 10.568 6.927 3.750 1.00 0.00 C ATOM 1457 NH1 ARG B 51 10.957 8.132 3.433 1.00 0.00 N ATOM 1458 NH2 ARG B 51 9.996 6.707 4.902 1.00 0.00 N ATOM 0 H ARG B 51 7.272 4.268 -0.180 1.00 0.00 H new ATOM 0 HA ARG B 51 7.855 7.013 -0.339 1.00 0.00 H new ATOM 0 HB2 ARG B 51 8.779 5.367 1.327 1.00 0.00 H new ATOM 0 HB3 ARG B 51 9.739 4.641 0.054 1.00 0.00 H new ATOM 0 HG2 ARG B 51 10.850 6.867 -0.360 1.00 0.00 H new ATOM 0 HG3 ARG B 51 9.908 7.569 0.940 1.00 0.00 H new ATOM 0 HD2 ARG B 51 11.837 5.211 1.250 1.00 0.00 H new ATOM 0 HD3 ARG B 51 12.196 6.865 1.704 1.00 0.00 H new ATOM 0 HE ARG B 51 10.447 4.985 3.154 1.00 0.00 H new ATOM 0 HH11 ARG B 51 11.403 8.303 2.532 1.00 0.00 H new ATOM 0 HH12 ARG B 51 10.814 8.902 4.086 1.00 0.00 H new ATOM 0 HH21 ARG B 51 9.692 5.765 5.149 1.00 0.00 H new ATOM 0 HH22 ARG B 51 9.853 7.477 5.556 1.00 0.00 H new ATOM 1472 N LYS B 52 9.152 5.129 -2.720 1.00 0.00 N ATOM 1473 CA LYS B 52 9.801 5.172 -4.028 1.00 0.00 C ATOM 1474 C LYS B 52 9.000 6.047 -4.987 1.00 0.00 C ATOM 1475 O LYS B 52 9.568 6.794 -5.782 1.00 0.00 O ATOM 1476 CB LYS B 52 9.933 3.757 -4.599 1.00 0.00 C ATOM 1477 CG LYS B 52 10.668 3.810 -5.942 1.00 0.00 C ATOM 1478 CD LYS B 52 10.863 2.391 -6.477 1.00 0.00 C ATOM 1479 CE LYS B 52 11.551 2.451 -7.842 1.00 0.00 C ATOM 1480 NZ LYS B 52 12.900 3.065 -7.692 1.00 0.00 N ATOM 0 H LYS B 52 8.873 4.196 -2.415 1.00 0.00 H new ATOM 0 HA LYS B 52 10.796 5.600 -3.908 1.00 0.00 H new ATOM 0 HB2 LYS B 52 10.477 3.122 -3.900 1.00 0.00 H new ATOM 0 HB3 LYS B 52 8.946 3.314 -4.731 1.00 0.00 H new ATOM 0 HG2 LYS B 52 10.098 4.404 -6.657 1.00 0.00 H new ATOM 0 HG3 LYS B 52 11.634 4.299 -5.820 1.00 0.00 H new ATOM 0 HD2 LYS B 52 11.464 1.807 -5.780 1.00 0.00 H new ATOM 0 HD3 LYS B 52 9.900 1.888 -6.565 1.00 0.00 H new ATOM 0 HE2 LYS B 52 11.641 1.448 -8.260 1.00 0.00 H new ATOM 0 HE3 LYS B 52 10.950 3.035 -8.539 1.00 0.00 H new ATOM 0 HZ1 LYS B 52 13.480 2.837 -8.525 1.00 0.00 H new ATOM 0 HZ2 LYS B 52 12.804 4.097 -7.609 1.00 0.00 H new ATOM 0 HZ3 LYS B 52 13.359 2.690 -6.837 1.00 0.00 H new ATOM 1494 N PHE B 53 7.679 5.944 -4.906 1.00 0.00 N ATOM 1495 CA PHE B 53 6.806 6.727 -5.770 1.00 0.00 C ATOM 1496 C PHE B 53 7.071 8.219 -5.572 1.00 0.00 C ATOM 1497 O PHE B 53 7.128 8.982 -6.536 1.00 0.00 O ATOM 1498 CB PHE B 53 5.342 6.418 -5.440 1.00 0.00 C ATOM 1499 CG PHE B 53 4.432 7.076 -6.452 1.00 0.00 C ATOM 1500 CD1 PHE B 53 4.018 8.400 -6.267 1.00 0.00 C ATOM 1501 CD2 PHE B 53 3.999 6.357 -7.576 1.00 0.00 C ATOM 1502 CE1 PHE B 53 3.172 9.007 -7.204 1.00 0.00 C ATOM 1503 CE2 PHE B 53 3.152 6.964 -8.513 1.00 0.00 C ATOM 1504 CZ PHE B 53 2.739 8.290 -8.325 1.00 0.00 C ATOM 0 H PHE B 53 7.191 5.329 -4.254 1.00 0.00 H new ATOM 0 HA PHE B 53 7.008 6.465 -6.808 1.00 0.00 H new ATOM 0 HB2 PHE B 53 5.181 5.340 -5.441 1.00 0.00 H new ATOM 0 HB3 PHE B 53 5.104 6.775 -4.438 1.00 0.00 H new ATOM 0 HD1 PHE B 53 4.351 8.954 -5.402 1.00 0.00 H new ATOM 0 HD2 PHE B 53 4.318 5.335 -7.719 1.00 0.00 H new ATOM 0 HE1 PHE B 53 2.854 10.029 -7.061 1.00 0.00 H new ATOM 0 HE2 PHE B 53 2.818 6.411 -9.378 1.00 0.00 H new ATOM 0 HZ PHE B 53 2.086 8.759 -9.046 1.00 0.00 H new ATOM 1514 N GLN B 54 7.227 8.627 -4.314 1.00 0.00 N ATOM 1515 CA GLN B 54 7.479 10.030 -3.997 1.00 0.00 C ATOM 1516 C GLN B 54 8.797 10.508 -4.606 1.00 0.00 C ATOM 1517 O GLN B 54 8.886 11.629 -5.106 1.00 0.00 O ATOM 1518 CB GLN B 54 7.526 10.225 -2.481 1.00 0.00 C ATOM 1519 CG GLN B 54 6.128 10.034 -1.893 1.00 0.00 C ATOM 1520 CD GLN B 54 6.159 10.285 -0.389 1.00 0.00 C ATOM 1521 OE1 GLN B 54 6.649 11.323 0.057 1.00 0.00 O ATOM 1522 NE2 GLN B 54 5.668 9.391 0.423 1.00 0.00 N ATOM 0 H GLN B 54 7.184 8.010 -3.503 1.00 0.00 H new ATOM 0 HA GLN B 54 6.665 10.618 -4.422 1.00 0.00 H new ATOM 0 HB2 GLN B 54 8.219 9.512 -2.034 1.00 0.00 H new ATOM 0 HB3 GLN B 54 7.897 11.222 -2.244 1.00 0.00 H new ATOM 0 HG2 GLN B 54 5.427 10.718 -2.370 1.00 0.00 H new ATOM 0 HG3 GLN B 54 5.774 9.023 -2.095 1.00 0.00 H new ATOM 0 HE21 GLN B 54 5.263 8.532 0.051 1.00 0.00 H new ATOM 0 HE22 GLN B 54 5.689 9.551 1.430 1.00 0.00 H new ATOM 1531 N LYS B 55 9.821 9.659 -4.559 1.00 0.00 N ATOM 1532 CA LYS B 55 11.124 10.024 -5.110 1.00 0.00 C ATOM 1533 C LYS B 55 11.023 10.312 -6.603 1.00 0.00 C ATOM 1534 O LYS B 55 11.672 11.225 -7.111 1.00 0.00 O ATOM 1535 CB LYS B 55 12.150 8.915 -4.854 1.00 0.00 C ATOM 1536 CG LYS B 55 12.670 9.021 -3.416 1.00 0.00 C ATOM 1537 CD LYS B 55 13.731 7.948 -3.167 1.00 0.00 C ATOM 1538 CE LYS B 55 13.228 6.966 -2.108 1.00 0.00 C ATOM 1539 NZ LYS B 55 14.236 5.885 -1.912 1.00 0.00 N ATOM 0 H LYS B 55 9.776 8.725 -4.151 1.00 0.00 H new ATOM 0 HA LYS B 55 11.458 10.931 -4.606 1.00 0.00 H new ATOM 0 HB2 LYS B 55 11.694 7.938 -5.016 1.00 0.00 H new ATOM 0 HB3 LYS B 55 12.977 9.001 -5.558 1.00 0.00 H new ATOM 0 HG2 LYS B 55 13.094 10.011 -3.245 1.00 0.00 H new ATOM 0 HG3 LYS B 55 11.846 8.901 -2.712 1.00 0.00 H new ATOM 0 HD2 LYS B 55 13.951 7.418 -4.094 1.00 0.00 H new ATOM 0 HD3 LYS B 55 14.661 8.411 -2.836 1.00 0.00 H new ATOM 0 HE2 LYS B 55 13.052 7.488 -1.168 1.00 0.00 H new ATOM 0 HE3 LYS B 55 12.275 6.537 -2.418 1.00 0.00 H new ATOM 0 HZ1 LYS B 55 13.894 5.217 -1.192 1.00 0.00 H new ATOM 0 HZ2 LYS B 55 14.383 5.381 -2.810 1.00 0.00 H new ATOM 0 HZ3 LYS B 55 15.135 6.302 -1.598 1.00 0.00 H new