USER MOD reduce.3.24.130724 H: found=0, std=0, add=637, rem=0, adj=19 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 107 HIS : no HE2:sc= -0.949 K(o=-1.5,f=-3.2) USER MOD Set 1.2: A 111 ASN : amide:sc= -0.593 K(o=-1.5,f=-2.4!) USER MOD Single : A 81 SER OG : rot 29:sc= 0.0619 USER MOD Single : A 94 LYS NZ :NH3+ 166:sc= 0 (180deg=-0.223) USER MOD Single : A 97 ASN : amide:sc= -0.0644 K(o=-0.064,f=-1.9!) 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 109 MET CE :methyl -171:sc= -1.05 (180deg=-1.1) USER MOD Single : A 110 THR OG1 : rot -83:sc= 0.854 USER MOD Single : A 115 LYS NZ :NH3+ 161:sc= -0.0678 (180deg=-0.527) USER MOD Single : A 117 THR OG1 : rot -81:sc= 0.337 USER MOD Single : A 124 MET CE :methyl -113:sc= -0.0678 (180deg=-0.36) USER MOD Single : A 135 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 137 ASN : amide:sc= -3.44! C(o=-3.4!,f=-8!) USER MOD Single : A 138 TYR OH : rot 150:sc= -0.106 USER MOD Single : A 143 GLN :FLIP amide:sc= -0.17 F(o=-1.6!,f=-0.17) USER MOD Single : A 144 MET CE :methyl 172:sc= -4.69! (180deg=-4.81!) USER MOD Single : A 145 MET CE :methyl 160:sc= 0 (180deg=-0.391) USER MOD Single : B 39 THR OG1 : rot 180:sc= 0 USER MOD Single : B 47 GLN : amide:sc= -5.76! C(o=-5.8!,f=-16!) USER MOD Single : B 48 SER OG : rot 78:sc= 1.01 USER MOD Single : B 49 GLN : amide:sc= -0.229 K(o=-0.23,f=-1.9!) USER MOD Single : B 52 LYS NZ :NH3+ 166:sc= 0 (180deg=-0.103) USER MOD Single : B 54 GLN :FLIP amide:sc= -1.27 F(o=-2!,f=-1.3) USER MOD Single : B 55 LYS NZ :NH3+ -160:sc= -0.0339 (180deg=-0.497) USER MOD ----------------------------------------------------------------- ATOM 80 N SER A 81 5.963 -7.914 -11.761 1.00 0.00 N ATOM 81 CA SER A 81 6.103 -7.719 -10.322 1.00 0.00 C ATOM 82 C SER A 81 4.821 -7.146 -9.740 1.00 0.00 C ATOM 83 O SER A 81 4.679 -7.022 -8.526 1.00 0.00 O ATOM 84 CB SER A 81 7.270 -6.782 -10.017 1.00 0.00 C ATOM 85 OG SER A 81 8.481 -7.379 -10.463 1.00 0.00 O ATOM 0 HA SER A 81 6.301 -8.689 -9.865 1.00 0.00 H new ATOM 0 HB2 SER A 81 7.120 -5.823 -10.512 1.00 0.00 H new ATOM 0 HB3 SER A 81 7.322 -6.583 -8.946 1.00 0.00 H new ATOM 0 HG SER A 81 8.294 -7.970 -11.222 1.00 0.00 H new ATOM 91 N GLU A 82 3.888 -6.800 -10.611 1.00 0.00 N ATOM 92 CA GLU A 82 2.623 -6.246 -10.159 1.00 0.00 C ATOM 93 C GLU A 82 1.963 -7.226 -9.205 1.00 0.00 C ATOM 94 O GLU A 82 1.387 -6.838 -8.191 1.00 0.00 O ATOM 95 CB GLU A 82 1.707 -5.985 -11.357 1.00 0.00 C ATOM 96 CG GLU A 82 0.390 -5.370 -10.880 1.00 0.00 C ATOM 97 CD GLU A 82 -0.490 -5.030 -12.078 1.00 0.00 C ATOM 98 OE1 GLU A 82 -0.066 -5.290 -13.192 1.00 0.00 O ATOM 99 OE2 GLU A 82 -1.575 -4.516 -11.864 1.00 0.00 O ATOM 0 H GLU A 82 3.980 -6.891 -11.623 1.00 0.00 H new ATOM 0 HA GLU A 82 2.802 -5.302 -9.645 1.00 0.00 H new ATOM 0 HB2 GLU A 82 2.198 -5.314 -12.062 1.00 0.00 H new ATOM 0 HB3 GLU A 82 1.512 -6.917 -11.887 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -0.130 -6.067 -10.223 1.00 0.00 H new ATOM 0 HG3 GLU A 82 0.589 -4.471 -10.297 1.00 0.00 H new ATOM 106 N GLU A 83 2.070 -8.500 -9.538 1.00 0.00 N ATOM 107 CA GLU A 83 1.498 -9.549 -8.708 1.00 0.00 C ATOM 108 C GLU A 83 2.147 -9.551 -7.326 1.00 0.00 C ATOM 109 O GLU A 83 1.491 -9.837 -6.324 1.00 0.00 O ATOM 110 CB GLU A 83 1.730 -10.907 -9.373 1.00 0.00 C ATOM 111 CG GLU A 83 3.233 -11.222 -9.375 1.00 0.00 C ATOM 112 CD GLU A 83 3.647 -11.886 -8.061 1.00 0.00 C ATOM 113 OE1 GLU A 83 2.834 -12.592 -7.486 1.00 0.00 O ATOM 114 OE2 GLU A 83 4.778 -11.684 -7.653 1.00 0.00 O ATOM 0 H GLU A 83 2.547 -8.834 -10.376 1.00 0.00 H new ATOM 0 HA GLU A 83 0.429 -9.364 -8.598 1.00 0.00 H new ATOM 0 HB2 GLU A 83 1.185 -11.684 -8.838 1.00 0.00 H new ATOM 0 HB3 GLU A 83 1.348 -10.895 -10.394 1.00 0.00 H new ATOM 0 HG2 GLU A 83 3.471 -11.879 -10.211 1.00 0.00 H new ATOM 0 HG3 GLU A 83 3.802 -10.304 -9.519 1.00 0.00 H new ATOM 121 N GLU A 84 3.438 -9.234 -7.281 1.00 0.00 N ATOM 122 CA GLU A 84 4.165 -9.206 -6.015 1.00 0.00 C ATOM 123 C GLU A 84 3.599 -8.126 -5.096 1.00 0.00 C ATOM 124 O GLU A 84 3.410 -8.350 -3.899 1.00 0.00 O ATOM 125 CB GLU A 84 5.655 -8.944 -6.270 1.00 0.00 C ATOM 126 CG GLU A 84 6.423 -8.995 -4.947 1.00 0.00 C ATOM 127 CD GLU A 84 7.913 -8.800 -5.203 1.00 0.00 C ATOM 128 OE1 GLU A 84 8.280 -8.633 -6.354 1.00 0.00 O ATOM 129 OE2 GLU A 84 8.667 -8.818 -4.244 1.00 0.00 O ATOM 0 H GLU A 84 3.999 -8.995 -8.099 1.00 0.00 H new ATOM 0 HA GLU A 84 4.049 -10.175 -5.529 1.00 0.00 H new ATOM 0 HB2 GLU A 84 6.052 -9.688 -6.961 1.00 0.00 H new ATOM 0 HB3 GLU A 84 5.787 -7.970 -6.741 1.00 0.00 H new ATOM 0 HG2 GLU A 84 6.057 -8.220 -4.274 1.00 0.00 H new ATOM 0 HG3 GLU A 84 6.252 -9.952 -4.454 1.00 0.00 H new ATOM 136 N ILE A 85 3.328 -6.957 -5.665 1.00 0.00 N ATOM 137 CA ILE A 85 2.779 -5.849 -4.892 1.00 0.00 C ATOM 138 C ILE A 85 1.385 -6.203 -4.390 1.00 0.00 C ATOM 139 O ILE A 85 1.031 -5.910 -3.249 1.00 0.00 O ATOM 140 CB ILE A 85 2.709 -4.584 -5.754 1.00 0.00 C ATOM 141 CG1 ILE A 85 4.122 -4.128 -6.136 1.00 0.00 C ATOM 142 CG2 ILE A 85 2.023 -3.470 -4.957 1.00 0.00 C ATOM 143 CD1 ILE A 85 4.720 -3.254 -5.028 1.00 0.00 C ATOM 0 H ILE A 85 3.478 -6.752 -6.653 1.00 0.00 H new ATOM 0 HA ILE A 85 3.432 -5.663 -4.039 1.00 0.00 H new ATOM 0 HB ILE A 85 2.144 -4.801 -6.661 1.00 0.00 H new ATOM 0 HG12 ILE A 85 4.758 -4.997 -6.305 1.00 0.00 H new ATOM 0 HG13 ILE A 85 4.090 -3.569 -7.071 1.00 0.00 H new ATOM 0 HG21 ILE A 85 1.970 -2.567 -5.565 1.00 0.00 H new ATOM 0 HG22 ILE A 85 1.015 -3.784 -4.686 1.00 0.00 H new ATOM 0 HG23 ILE A 85 2.595 -3.265 -4.052 1.00 0.00 H new ATOM 0 HD11 ILE A 85 5.723 -2.939 -5.315 1.00 0.00 H new ATOM 0 HD12 ILE A 85 4.092 -2.375 -4.879 1.00 0.00 H new ATOM 0 HD13 ILE A 85 4.770 -3.825 -4.101 1.00 0.00 H new ATOM 155 N ARG A 86 0.600 -6.838 -5.257 1.00 0.00 N ATOM 156 CA ARG A 86 -0.760 -7.235 -4.914 1.00 0.00 C ATOM 157 C ARG A 86 -0.763 -8.195 -3.731 1.00 0.00 C ATOM 158 O ARG A 86 -1.657 -8.149 -2.888 1.00 0.00 O ATOM 159 CB ARG A 86 -1.433 -7.903 -6.115 1.00 0.00 C ATOM 160 CG ARG A 86 -1.717 -6.855 -7.193 1.00 0.00 C ATOM 161 CD ARG A 86 -2.334 -7.538 -8.416 1.00 0.00 C ATOM 162 NE ARG A 86 -2.636 -6.554 -9.448 1.00 0.00 N ATOM 163 CZ ARG A 86 -3.176 -6.918 -10.606 1.00 0.00 C ATOM 164 NH1 ARG A 86 -3.440 -8.175 -10.837 1.00 0.00 N ATOM 165 NH2 ARG A 86 -3.441 -6.019 -11.514 1.00 0.00 N ATOM 0 H ARG A 86 0.885 -7.088 -6.204 1.00 0.00 H new ATOM 0 HA ARG A 86 -1.315 -6.338 -4.639 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -0.790 -8.686 -6.516 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -2.362 -8.381 -5.805 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -2.395 -6.094 -6.807 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -0.795 -6.346 -7.473 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -1.646 -8.287 -8.808 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -3.245 -8.063 -8.127 1.00 0.00 H new ATOM 0 HE ARG A 86 -2.429 -5.570 -9.278 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -3.232 -8.878 -10.128 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -3.855 -8.454 -11.726 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -3.234 -5.037 -11.335 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -3.856 -6.299 -12.403 1.00 0.00 H new ATOM 179 N GLU A 87 0.239 -9.064 -3.672 1.00 0.00 N ATOM 180 CA GLU A 87 0.323 -10.029 -2.585 1.00 0.00 C ATOM 181 C GLU A 87 0.306 -9.288 -1.252 1.00 0.00 C ATOM 182 O GLU A 87 -0.327 -9.725 -0.291 1.00 0.00 O ATOM 183 CB GLU A 87 1.614 -10.846 -2.712 1.00 0.00 C ATOM 184 CG GLU A 87 1.666 -11.917 -1.617 1.00 0.00 C ATOM 185 CD GLU A 87 0.536 -12.922 -1.812 1.00 0.00 C ATOM 186 OE1 GLU A 87 0.014 -12.990 -2.913 1.00 0.00 O ATOM 187 OE2 GLU A 87 0.210 -13.608 -0.857 1.00 0.00 O ATOM 0 H GLU A 87 0.995 -9.120 -4.355 1.00 0.00 H new ATOM 0 HA GLU A 87 -0.529 -10.707 -2.634 1.00 0.00 H new ATOM 0 HB2 GLU A 87 1.662 -11.316 -3.694 1.00 0.00 H new ATOM 0 HB3 GLU A 87 2.480 -10.189 -2.631 1.00 0.00 H new ATOM 0 HG2 GLU A 87 2.628 -12.430 -1.644 1.00 0.00 H new ATOM 0 HG3 GLU A 87 1.582 -11.449 -0.636 1.00 0.00 H new ATOM 194 N ALA A 88 1.001 -8.159 -1.209 1.00 0.00 N ATOM 195 CA ALA A 88 1.062 -7.345 -0.001 1.00 0.00 C ATOM 196 C ALA A 88 -0.330 -6.860 0.405 1.00 0.00 C ATOM 197 O ALA A 88 -0.643 -6.792 1.594 1.00 0.00 O ATOM 198 CB ALA A 88 1.977 -6.142 -0.228 1.00 0.00 C ATOM 0 H ALA A 88 1.531 -7.785 -1.997 1.00 0.00 H new ATOM 0 HA ALA A 88 1.462 -7.962 0.803 1.00 0.00 H new ATOM 0 HB1 ALA A 88 2.017 -5.539 0.679 1.00 0.00 H new ATOM 0 HB2 ALA A 88 2.980 -6.489 -0.477 1.00 0.00 H new ATOM 0 HB3 ALA A 88 1.588 -5.538 -1.048 1.00 0.00 H new ATOM 204 N PHE A 89 -1.170 -6.545 -0.579 1.00 0.00 N ATOM 205 CA PHE A 89 -2.530 -6.097 -0.286 1.00 0.00 C ATOM 206 C PHE A 89 -3.421 -7.285 0.072 1.00 0.00 C ATOM 207 O PHE A 89 -4.231 -7.208 0.996 1.00 0.00 O ATOM 208 CB PHE A 89 -3.103 -5.337 -1.487 1.00 0.00 C ATOM 209 CG PHE A 89 -2.425 -3.991 -1.583 1.00 0.00 C ATOM 210 CD1 PHE A 89 -2.922 -2.907 -0.850 1.00 0.00 C ATOM 211 CD2 PHE A 89 -1.293 -3.829 -2.390 1.00 0.00 C ATOM 212 CE1 PHE A 89 -2.291 -1.661 -0.928 1.00 0.00 C ATOM 213 CE2 PHE A 89 -0.658 -2.582 -2.466 1.00 0.00 C ATOM 214 CZ PHE A 89 -1.158 -1.498 -1.735 1.00 0.00 C ATOM 0 H PHE A 89 -0.938 -6.590 -1.571 1.00 0.00 H new ATOM 0 HA PHE A 89 -2.499 -5.424 0.571 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -2.944 -5.905 -2.403 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -4.180 -5.210 -1.374 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -3.793 -3.033 -0.224 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -0.909 -4.666 -2.955 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -2.678 -0.824 -0.366 1.00 0.00 H new ATOM 0 HE2 PHE A 89 0.216 -2.458 -3.088 1.00 0.00 H new ATOM 0 HZ PHE A 89 -0.670 -0.536 -1.793 1.00 0.00 H new ATOM 224 N ARG A 90 -3.274 -8.381 -0.672 1.00 0.00 N ATOM 225 CA ARG A 90 -4.083 -9.573 -0.425 1.00 0.00 C ATOM 226 C ARG A 90 -4.129 -9.882 1.067 1.00 0.00 C ATOM 227 O ARG A 90 -5.119 -10.414 1.570 1.00 0.00 O ATOM 228 CB ARG A 90 -3.510 -10.780 -1.177 1.00 0.00 C ATOM 229 CG ARG A 90 -4.310 -11.041 -2.462 1.00 0.00 C ATOM 230 CD ARG A 90 -4.086 -9.898 -3.453 1.00 0.00 C ATOM 231 NE ARG A 90 -4.860 -10.125 -4.669 1.00 0.00 N ATOM 232 CZ ARG A 90 -4.394 -10.892 -5.648 1.00 0.00 C ATOM 233 NH1 ARG A 90 -3.225 -11.459 -5.533 1.00 0.00 N ATOM 234 NH2 ARG A 90 -5.106 -11.079 -6.725 1.00 0.00 N ATOM 0 H ARG A 90 -2.610 -8.468 -1.442 1.00 0.00 H new ATOM 0 HA ARG A 90 -5.093 -9.377 -0.785 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -2.464 -10.600 -1.423 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -3.539 -11.662 -0.537 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -4.001 -11.987 -2.908 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -5.371 -11.130 -2.229 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -4.378 -8.951 -2.999 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -3.026 -9.821 -3.697 1.00 0.00 H new ATOM 0 HE ARG A 90 -5.776 -9.687 -4.769 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -2.668 -11.313 -4.691 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -2.868 -12.048 -6.285 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -6.020 -10.636 -6.815 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -4.748 -11.668 -7.477 1.00 0.00 H new ATOM 248 N VAL A 91 -3.058 -9.539 1.771 1.00 0.00 N ATOM 249 CA VAL A 91 -2.988 -9.773 3.207 1.00 0.00 C ATOM 250 C VAL A 91 -4.085 -9.002 3.927 1.00 0.00 C ATOM 251 O VAL A 91 -4.687 -9.502 4.877 1.00 0.00 O ATOM 252 CB VAL A 91 -1.618 -9.344 3.742 1.00 0.00 C ATOM 253 CG1 VAL A 91 -1.634 -9.367 5.272 1.00 0.00 C ATOM 254 CG2 VAL A 91 -0.551 -10.316 3.231 1.00 0.00 C ATOM 0 H VAL A 91 -2.228 -9.099 1.372 1.00 0.00 H new ATOM 0 HA VAL A 91 -3.129 -10.838 3.391 1.00 0.00 H new ATOM 0 HB VAL A 91 -1.392 -8.335 3.398 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -0.659 -9.062 5.651 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -2.397 -8.680 5.638 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -1.858 -10.376 5.618 1.00 0.00 H new ATOM 0 HG21 VAL A 91 0.426 -10.015 3.609 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -0.780 -11.323 3.579 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -0.538 -10.302 2.141 1.00 0.00 H new ATOM 264 N PHE A 92 -4.339 -7.781 3.475 1.00 0.00 N ATOM 265 CA PHE A 92 -5.366 -6.953 4.092 1.00 0.00 C ATOM 266 C PHE A 92 -6.738 -7.269 3.501 1.00 0.00 C ATOM 267 O PHE A 92 -7.761 -7.080 4.159 1.00 0.00 O ATOM 268 CB PHE A 92 -5.034 -5.474 3.885 1.00 0.00 C ATOM 269 CG PHE A 92 -3.556 -5.228 4.124 1.00 0.00 C ATOM 270 CD1 PHE A 92 -2.895 -5.809 5.219 1.00 0.00 C ATOM 271 CD2 PHE A 92 -2.846 -4.400 3.247 1.00 0.00 C ATOM 272 CE1 PHE A 92 -1.535 -5.564 5.428 1.00 0.00 C ATOM 273 CE2 PHE A 92 -1.485 -4.158 3.458 1.00 0.00 C ATOM 274 CZ PHE A 92 -0.829 -4.740 4.547 1.00 0.00 C ATOM 0 H PHE A 92 -3.853 -7.345 2.691 1.00 0.00 H new ATOM 0 HA PHE A 92 -5.393 -7.169 5.160 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -5.301 -5.173 2.872 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -5.626 -4.863 4.566 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -3.439 -6.446 5.901 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -3.350 -3.947 2.406 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -1.029 -6.012 6.271 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -0.939 -3.520 2.778 1.00 0.00 H new ATOM 0 HZ PHE A 92 0.223 -4.553 4.707 1.00 0.00 H new ATOM 284 N ASP A 93 -6.757 -7.776 2.270 1.00 0.00 N ATOM 285 CA ASP A 93 -8.020 -8.137 1.634 1.00 0.00 C ATOM 286 C ASP A 93 -8.344 -9.593 1.941 1.00 0.00 C ATOM 287 O ASP A 93 -8.028 -10.488 1.157 1.00 0.00 O ATOM 288 CB ASP A 93 -7.941 -7.940 0.118 1.00 0.00 C ATOM 289 CG ASP A 93 -9.299 -8.235 -0.512 1.00 0.00 C ATOM 290 OD1 ASP A 93 -10.174 -8.692 0.203 1.00 0.00 O ATOM 291 OD2 ASP A 93 -9.442 -8.000 -1.701 1.00 0.00 O ATOM 0 H ASP A 93 -5.927 -7.944 1.702 1.00 0.00 H new ATOM 0 HA ASP A 93 -8.805 -7.491 2.027 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -7.638 -6.918 -0.110 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -7.183 -8.599 -0.305 1.00 0.00 H new ATOM 296 N LYS A 94 -8.965 -9.825 3.091 1.00 0.00 N ATOM 297 CA LYS A 94 -9.316 -11.168 3.503 1.00 0.00 C ATOM 298 C LYS A 94 -10.681 -11.563 2.951 1.00 0.00 C ATOM 299 O LYS A 94 -10.978 -12.748 2.797 1.00 0.00 O ATOM 300 CB LYS A 94 -9.303 -11.236 5.034 1.00 0.00 C ATOM 301 CG LYS A 94 -10.300 -12.280 5.524 1.00 0.00 C ATOM 302 CD LYS A 94 -10.058 -12.561 7.008 1.00 0.00 C ATOM 303 CE LYS A 94 -11.237 -13.353 7.577 1.00 0.00 C ATOM 304 NZ LYS A 94 -11.350 -14.656 6.863 1.00 0.00 N ATOM 0 H LYS A 94 -9.234 -9.096 3.752 1.00 0.00 H new ATOM 0 HA LYS A 94 -8.587 -11.874 3.105 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -8.302 -11.486 5.386 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -9.553 -10.260 5.451 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -11.319 -11.924 5.372 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -10.194 -13.199 4.947 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -9.133 -13.123 7.136 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -9.940 -11.624 7.552 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -11.094 -13.522 8.644 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -12.160 -12.783 7.465 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -11.984 -15.288 7.392 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -11.736 -14.497 5.910 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -10.409 -15.093 6.787 1.00 0.00 H new ATOM 318 N ASP A 95 -11.501 -10.569 2.629 1.00 0.00 N ATOM 319 CA ASP A 95 -12.817 -10.843 2.069 1.00 0.00 C ATOM 320 C ASP A 95 -12.680 -11.297 0.621 1.00 0.00 C ATOM 321 O ASP A 95 -13.530 -12.018 0.100 1.00 0.00 O ATOM 322 CB ASP A 95 -13.690 -9.590 2.139 1.00 0.00 C ATOM 323 CG ASP A 95 -14.071 -9.299 3.586 1.00 0.00 C ATOM 324 OD1 ASP A 95 -13.882 -10.174 4.416 1.00 0.00 O ATOM 325 OD2 ASP A 95 -14.547 -8.206 3.845 1.00 0.00 O ATOM 0 H ASP A 95 -11.281 -9.580 2.744 1.00 0.00 H new ATOM 0 HA ASP A 95 -13.289 -11.636 2.650 1.00 0.00 H new ATOM 0 HB2 ASP A 95 -13.154 -8.740 1.718 1.00 0.00 H new ATOM 0 HB3 ASP A 95 -14.589 -9.729 1.539 1.00 0.00 H new ATOM 330 N GLY A 96 -11.599 -10.862 -0.023 1.00 0.00 N ATOM 331 CA GLY A 96 -11.349 -11.222 -1.412 1.00 0.00 C ATOM 332 C GLY A 96 -12.334 -10.523 -2.344 1.00 0.00 C ATOM 333 O GLY A 96 -12.632 -11.019 -3.431 1.00 0.00 O ATOM 0 H GLY A 96 -10.887 -10.263 0.394 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -10.329 -10.949 -1.684 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -11.433 -12.302 -1.532 1.00 0.00 H new ATOM 337 N ASN A 97 -12.840 -9.372 -1.913 1.00 0.00 N ATOM 338 CA ASN A 97 -13.794 -8.621 -2.722 1.00 0.00 C ATOM 339 C ASN A 97 -13.087 -7.569 -3.575 1.00 0.00 C ATOM 340 O ASN A 97 -13.724 -6.879 -4.371 1.00 0.00 O ATOM 341 CB ASN A 97 -14.818 -7.934 -1.815 1.00 0.00 C ATOM 342 CG ASN A 97 -15.737 -8.974 -1.182 1.00 0.00 C ATOM 343 OD1 ASN A 97 -15.854 -10.090 -1.688 1.00 0.00 O ATOM 344 ND2 ASN A 97 -16.400 -8.671 -0.100 1.00 0.00 N ATOM 0 H ASN A 97 -12.609 -8.942 -1.017 1.00 0.00 H new ATOM 0 HA ASN A 97 -14.299 -9.323 -3.386 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -14.305 -7.369 -1.037 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -15.406 -7.221 -2.392 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -17.018 -9.360 0.329 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -16.301 -7.745 0.317 1.00 0.00 H new ATOM 351 N GLY A 98 -11.770 -7.456 -3.415 1.00 0.00 N ATOM 352 CA GLY A 98 -11.000 -6.480 -4.182 1.00 0.00 C ATOM 353 C GLY A 98 -10.840 -5.167 -3.412 1.00 0.00 C ATOM 354 O GLY A 98 -10.386 -4.165 -3.964 1.00 0.00 O ATOM 0 H GLY A 98 -11.219 -8.021 -2.769 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -10.017 -6.890 -4.413 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -11.497 -6.288 -5.133 1.00 0.00 H new ATOM 358 N TYR A 99 -11.225 -5.183 -2.139 1.00 0.00 N ATOM 359 CA TYR A 99 -11.124 -3.980 -1.309 1.00 0.00 C ATOM 360 C TYR A 99 -10.576 -4.283 0.080 1.00 0.00 C ATOM 361 O TYR A 99 -10.662 -5.410 0.568 1.00 0.00 O ATOM 362 CB TYR A 99 -12.489 -3.315 -1.163 1.00 0.00 C ATOM 363 CG TYR A 99 -13.059 -3.007 -2.523 1.00 0.00 C ATOM 364 CD1 TYR A 99 -13.545 -4.046 -3.318 1.00 0.00 C ATOM 365 CD2 TYR A 99 -13.119 -1.686 -2.979 1.00 0.00 C ATOM 366 CE1 TYR A 99 -14.087 -3.772 -4.577 1.00 0.00 C ATOM 367 CE2 TYR A 99 -13.664 -1.408 -4.241 1.00 0.00 C ATOM 368 CZ TYR A 99 -14.146 -2.453 -5.040 1.00 0.00 C ATOM 369 OH TYR A 99 -14.681 -2.181 -6.282 1.00 0.00 O ATOM 0 H TYR A 99 -11.605 -6.001 -1.662 1.00 0.00 H new ATOM 0 HA TYR A 99 -10.430 -3.309 -1.815 1.00 0.00 H new ATOM 0 HB2 TYR A 99 -13.166 -3.971 -0.616 1.00 0.00 H new ATOM 0 HB3 TYR A 99 -12.396 -2.397 -0.582 1.00 0.00 H new ATOM 0 HD1 TYR A 99 -13.502 -5.064 -2.960 1.00 0.00 H new ATOM 0 HD2 TYR A 99 -12.747 -0.882 -2.361 1.00 0.00 H new ATOM 0 HE1 TYR A 99 -14.460 -4.578 -5.192 1.00 0.00 H new ATOM 0 HE2 TYR A 99 -13.712 -0.389 -4.597 1.00 0.00 H new ATOM 0 HH TYR A 99 -14.647 -1.216 -6.449 1.00 0.00 H new ATOM 379 N ILE A 100 -10.045 -3.243 0.722 1.00 0.00 N ATOM 380 CA ILE A 100 -9.514 -3.361 2.075 1.00 0.00 C ATOM 381 C ILE A 100 -10.101 -2.238 2.923 1.00 0.00 C ATOM 382 O ILE A 100 -10.286 -1.127 2.427 1.00 0.00 O ATOM 383 CB ILE A 100 -7.978 -3.231 2.068 1.00 0.00 C ATOM 384 CG1 ILE A 100 -7.575 -1.746 2.057 1.00 0.00 C ATOM 385 CG2 ILE A 100 -7.403 -3.896 0.818 1.00 0.00 C ATOM 386 CD1 ILE A 100 -6.085 -1.619 1.734 1.00 0.00 C ATOM 0 H ILE A 100 -9.972 -2.307 0.323 1.00 0.00 H new ATOM 0 HA ILE A 100 -9.781 -4.336 2.482 1.00 0.00 H new ATOM 0 HB ILE A 100 -7.588 -3.717 2.962 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -8.165 -1.205 1.317 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -7.787 -1.294 3.026 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -6.317 -3.799 0.821 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -7.673 -4.952 0.811 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -7.808 -3.412 -0.071 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -5.803 -0.566 1.727 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -5.503 -2.146 2.490 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -5.887 -2.054 0.755 1.00 0.00 H new ATOM 398 N SER A 101 -10.379 -2.498 4.193 1.00 0.00 N ATOM 399 CA SER A 101 -10.922 -1.449 5.045 1.00 0.00 C ATOM 400 C SER A 101 -9.834 -0.413 5.314 1.00 0.00 C ATOM 401 O SER A 101 -8.907 -0.666 6.079 1.00 0.00 O ATOM 402 CB SER A 101 -11.403 -2.041 6.371 1.00 0.00 C ATOM 403 OG SER A 101 -12.483 -2.931 6.123 1.00 0.00 O ATOM 0 H SER A 101 -10.242 -3.401 4.647 1.00 0.00 H new ATOM 0 HA SER A 101 -11.768 -0.979 4.543 1.00 0.00 H new ATOM 0 HB2 SER A 101 -10.587 -2.569 6.864 1.00 0.00 H new ATOM 0 HB3 SER A 101 -11.720 -1.245 7.044 1.00 0.00 H new ATOM 0 HG SER A 101 -12.793 -3.314 6.970 1.00 0.00 H new ATOM 409 N ALA A 102 -9.922 0.732 4.648 1.00 0.00 N ATOM 410 CA ALA A 102 -8.905 1.770 4.786 1.00 0.00 C ATOM 411 C ALA A 102 -8.578 2.075 6.240 1.00 0.00 C ATOM 412 O ALA A 102 -7.499 2.590 6.533 1.00 0.00 O ATOM 413 CB ALA A 102 -9.375 3.046 4.093 1.00 0.00 C ATOM 0 H ALA A 102 -10.683 0.966 4.010 1.00 0.00 H new ATOM 0 HA ALA A 102 -7.995 1.395 4.317 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -8.613 3.819 4.198 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -9.544 2.844 3.035 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -10.304 3.387 4.550 1.00 0.00 H new ATOM 419 N ALA A 103 -9.474 1.746 7.160 1.00 0.00 N ATOM 420 CA ALA A 103 -9.190 1.993 8.564 1.00 0.00 C ATOM 421 C ALA A 103 -7.957 1.194 8.970 1.00 0.00 C ATOM 422 O ALA A 103 -7.095 1.683 9.701 1.00 0.00 O ATOM 423 CB ALA A 103 -10.385 1.580 9.425 1.00 0.00 C ATOM 0 H ALA A 103 -10.380 1.319 6.967 1.00 0.00 H new ATOM 0 HA ALA A 103 -9.005 3.057 8.715 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -10.160 1.770 10.475 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -11.262 2.157 9.132 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -10.586 0.518 9.283 1.00 0.00 H new ATOM 429 N GLU A 104 -7.887 -0.041 8.481 1.00 0.00 N ATOM 430 CA GLU A 104 -6.762 -0.913 8.784 1.00 0.00 C ATOM 431 C GLU A 104 -5.522 -0.455 8.024 1.00 0.00 C ATOM 432 O GLU A 104 -4.396 -0.655 8.478 1.00 0.00 O ATOM 433 CB GLU A 104 -7.106 -2.359 8.406 1.00 0.00 C ATOM 434 CG GLU A 104 -6.660 -2.664 6.971 1.00 0.00 C ATOM 435 CD GLU A 104 -7.338 -3.939 6.480 1.00 0.00 C ATOM 436 OE1 GLU A 104 -7.518 -4.839 7.284 1.00 0.00 O ATOM 437 OE2 GLU A 104 -7.670 -3.997 5.307 1.00 0.00 O ATOM 0 H GLU A 104 -8.595 -0.457 7.876 1.00 0.00 H new ATOM 0 HA GLU A 104 -6.555 -0.864 9.853 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -6.619 -3.047 9.097 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -8.180 -2.519 8.500 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -6.914 -1.830 6.316 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -5.577 -2.780 6.934 1.00 0.00 H new ATOM 444 N LEU A 105 -5.737 0.155 6.861 1.00 0.00 N ATOM 445 CA LEU A 105 -4.619 0.628 6.052 1.00 0.00 C ATOM 446 C LEU A 105 -3.831 1.668 6.842 1.00 0.00 C ATOM 447 O LEU A 105 -2.605 1.603 6.925 1.00 0.00 O ATOM 448 CB LEU A 105 -5.129 1.255 4.743 1.00 0.00 C ATOM 449 CG LEU A 105 -3.938 1.652 3.857 1.00 0.00 C ATOM 450 CD1 LEU A 105 -3.172 0.399 3.416 1.00 0.00 C ATOM 451 CD2 LEU A 105 -4.453 2.392 2.620 1.00 0.00 C ATOM 0 H LEU A 105 -6.660 0.331 6.463 1.00 0.00 H new ATOM 0 HA LEU A 105 -3.976 -0.218 5.807 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -5.767 0.547 4.214 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -5.739 2.131 4.962 1.00 0.00 H new ATOM 0 HG LEU A 105 -3.269 2.299 4.424 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -2.330 0.690 2.788 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -2.804 -0.131 4.295 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -3.837 -0.254 2.851 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -3.611 2.675 1.989 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -5.124 1.741 2.059 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -4.992 3.287 2.930 1.00 0.00 H new ATOM 463 N ARG A 106 -4.548 2.636 7.409 1.00 0.00 N ATOM 464 CA ARG A 106 -3.903 3.694 8.175 1.00 0.00 C ATOM 465 C ARG A 106 -3.088 3.102 9.321 1.00 0.00 C ATOM 466 O ARG A 106 -1.921 3.441 9.497 1.00 0.00 O ATOM 467 CB ARG A 106 -4.962 4.647 8.737 1.00 0.00 C ATOM 468 CG ARG A 106 -4.293 5.684 9.644 1.00 0.00 C ATOM 469 CD ARG A 106 -4.541 5.324 11.110 1.00 0.00 C ATOM 470 NE ARG A 106 -5.953 5.482 11.434 1.00 0.00 N ATOM 471 CZ ARG A 106 -6.443 5.068 12.597 1.00 0.00 C ATOM 472 NH1 ARG A 106 -5.655 4.512 13.476 1.00 0.00 N ATOM 473 NH2 ARG A 106 -7.713 5.218 12.861 1.00 0.00 N ATOM 0 H ARG A 106 -5.564 2.708 7.353 1.00 0.00 H new ATOM 0 HA ARG A 106 -3.233 4.243 7.514 1.00 0.00 H new ATOM 0 HB2 ARG A 106 -5.485 5.146 7.922 1.00 0.00 H new ATOM 0 HB3 ARG A 106 -5.709 4.086 9.299 1.00 0.00 H new ATOM 0 HG2 ARG A 106 -3.222 5.719 9.444 1.00 0.00 H new ATOM 0 HG3 ARG A 106 -4.689 6.677 9.431 1.00 0.00 H new ATOM 0 HD2 ARG A 106 -4.230 4.296 11.298 1.00 0.00 H new ATOM 0 HD3 ARG A 106 -3.938 5.962 11.756 1.00 0.00 H new ATOM 0 HE ARG A 106 -6.577 5.919 10.755 1.00 0.00 H new ATOM 0 HH11 ARG A 106 -4.663 4.395 13.270 1.00 0.00 H new ATOM 0 HH12 ARG A 106 -6.031 4.194 14.369 1.00 0.00 H new ATOM 0 HH21 ARG A 106 -8.329 5.653 12.174 1.00 0.00 H new ATOM 0 HH22 ARG A 106 -8.089 4.900 13.754 1.00 0.00 H new ATOM 487 N HIS A 107 -3.699 2.209 10.093 1.00 0.00 N ATOM 488 CA HIS A 107 -3.002 1.578 11.209 1.00 0.00 C ATOM 489 C HIS A 107 -1.794 0.804 10.697 1.00 0.00 C ATOM 490 O HIS A 107 -0.706 0.869 11.264 1.00 0.00 O ATOM 491 CB HIS A 107 -3.956 0.633 11.942 1.00 0.00 C ATOM 492 CG HIS A 107 -3.230 -0.054 13.065 1.00 0.00 C ATOM 493 ND1 HIS A 107 -2.829 0.620 14.208 1.00 0.00 N ATOM 494 CD2 HIS A 107 -2.840 -1.359 13.242 1.00 0.00 C ATOM 495 CE1 HIS A 107 -2.227 -0.272 15.014 1.00 0.00 C ATOM 496 NE2 HIS A 107 -2.207 -1.493 14.474 1.00 0.00 N ATOM 0 H HIS A 107 -4.666 1.908 9.969 1.00 0.00 H new ATOM 0 HA HIS A 107 -2.660 2.348 11.900 1.00 0.00 H new ATOM 0 HB2 HIS A 107 -4.806 1.192 12.334 1.00 0.00 H new ATOM 0 HB3 HIS A 107 -4.354 -0.107 11.248 1.00 0.00 H new ATOM 0 HD1 HIS A 107 -2.966 1.612 14.402 1.00 0.00 H new ATOM 0 HD2 HIS A 107 -3.000 -2.158 12.534 1.00 0.00 H new ATOM 0 HE1 HIS A 107 -1.810 -0.030 15.981 1.00 0.00 H new ATOM 505 N VAL A 108 -2.012 0.072 9.614 1.00 0.00 N ATOM 506 CA VAL A 108 -0.965 -0.728 8.992 1.00 0.00 C ATOM 507 C VAL A 108 0.181 0.154 8.496 1.00 0.00 C ATOM 508 O VAL A 108 1.352 -0.208 8.606 1.00 0.00 O ATOM 509 CB VAL A 108 -1.566 -1.498 7.816 1.00 0.00 C ATOM 510 CG1 VAL A 108 -0.460 -2.170 7.004 1.00 0.00 C ATOM 511 CG2 VAL A 108 -2.520 -2.569 8.348 1.00 0.00 C ATOM 0 H VAL A 108 -2.915 0.015 9.143 1.00 0.00 H new ATOM 0 HA VAL A 108 -0.563 -1.419 9.733 1.00 0.00 H new ATOM 0 HB VAL A 108 -2.106 -0.801 7.175 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -0.901 -2.715 6.170 1.00 0.00 H new ATOM 0 HG12 VAL A 108 0.223 -1.411 6.621 1.00 0.00 H new ATOM 0 HG13 VAL A 108 0.089 -2.864 7.641 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -2.951 -3.120 7.512 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -1.972 -3.257 8.992 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -3.318 -2.094 8.919 1.00 0.00 H new ATOM 521 N MET A 109 -0.173 1.308 7.945 1.00 0.00 N ATOM 522 CA MET A 109 0.823 2.241 7.422 1.00 0.00 C ATOM 523 C MET A 109 1.512 3.003 8.547 1.00 0.00 C ATOM 524 O MET A 109 2.611 3.526 8.363 1.00 0.00 O ATOM 525 CB MET A 109 0.151 3.239 6.470 1.00 0.00 C ATOM 526 CG MET A 109 0.242 2.743 5.021 1.00 0.00 C ATOM 527 SD MET A 109 -0.010 0.950 4.959 1.00 0.00 S ATOM 528 CE MET A 109 0.516 0.689 3.247 1.00 0.00 C ATOM 0 H MET A 109 -1.139 1.622 7.848 1.00 0.00 H new ATOM 0 HA MET A 109 1.576 1.663 6.885 1.00 0.00 H new ATOM 0 HB2 MET A 109 -0.894 3.371 6.751 1.00 0.00 H new ATOM 0 HB3 MET A 109 0.630 4.214 6.558 1.00 0.00 H new ATOM 0 HG2 MET A 109 -0.508 3.245 4.409 1.00 0.00 H new ATOM 0 HG3 MET A 109 1.216 2.996 4.603 1.00 0.00 H new ATOM 0 HE1 MET A 109 0.288 -0.334 2.948 1.00 0.00 H new ATOM 0 HE2 MET A 109 -0.012 1.384 2.594 1.00 0.00 H new ATOM 0 HE3 MET A 109 1.589 0.860 3.166 1.00 0.00 H new ATOM 538 N THR A 110 0.856 3.086 9.699 1.00 0.00 N ATOM 539 CA THR A 110 1.419 3.823 10.827 1.00 0.00 C ATOM 540 C THR A 110 1.940 2.884 11.914 1.00 0.00 C ATOM 541 O THR A 110 2.698 3.310 12.784 1.00 0.00 O ATOM 542 CB THR A 110 0.348 4.746 11.417 1.00 0.00 C ATOM 543 OG1 THR A 110 -0.716 3.964 11.941 1.00 0.00 O ATOM 544 CG2 THR A 110 -0.192 5.669 10.324 1.00 0.00 C ATOM 0 H THR A 110 -0.053 2.659 9.877 1.00 0.00 H new ATOM 0 HA THR A 110 2.262 4.409 10.460 1.00 0.00 H new ATOM 0 HB THR A 110 0.788 5.345 12.214 1.00 0.00 H new ATOM 0 HG1 THR A 110 -1.328 3.717 11.216 1.00 0.00 H new ATOM 0 HG21 THR A 110 -0.954 6.325 10.745 1.00 0.00 H new ATOM 0 HG22 THR A 110 0.622 6.271 9.921 1.00 0.00 H new ATOM 0 HG23 THR A 110 -0.630 5.070 9.526 1.00 0.00 H new ATOM 552 N ASN A 111 1.506 1.622 11.887 1.00 0.00 N ATOM 553 CA ASN A 111 1.924 0.656 12.907 1.00 0.00 C ATOM 554 C ASN A 111 2.868 -0.416 12.352 1.00 0.00 C ATOM 555 O ASN A 111 3.758 -0.881 13.063 1.00 0.00 O ATOM 556 CB ASN A 111 0.692 -0.024 13.505 1.00 0.00 C ATOM 557 CG ASN A 111 1.043 -0.640 14.855 1.00 0.00 C ATOM 558 OD1 ASN A 111 1.839 -0.077 15.608 1.00 0.00 O ATOM 559 ND2 ASN A 111 0.496 -1.770 15.208 1.00 0.00 N ATOM 0 H ASN A 111 0.873 1.248 11.180 1.00 0.00 H new ATOM 0 HA ASN A 111 2.468 1.212 13.671 1.00 0.00 H new ATOM 0 HB2 ASN A 111 -0.112 0.702 13.625 1.00 0.00 H new ATOM 0 HB3 ASN A 111 0.327 -0.796 12.827 1.00 0.00 H new ATOM 0 HD21 ASN A 111 0.727 -2.189 16.109 1.00 0.00 H new ATOM 0 HD22 ASN A 111 -0.163 -2.235 14.583 1.00 0.00 H new ATOM 566 N LEU A 112 2.660 -0.825 11.099 1.00 0.00 N ATOM 567 CA LEU A 112 3.501 -1.868 10.499 1.00 0.00 C ATOM 568 C LEU A 112 4.454 -1.294 9.455 1.00 0.00 C ATOM 569 O LEU A 112 4.079 -0.427 8.667 1.00 0.00 O ATOM 570 CB LEU A 112 2.625 -2.932 9.834 1.00 0.00 C ATOM 571 CG LEU A 112 1.668 -3.548 10.860 1.00 0.00 C ATOM 572 CD1 LEU A 112 0.771 -4.573 10.162 1.00 0.00 C ATOM 573 CD2 LEU A 112 2.467 -4.246 11.965 1.00 0.00 C ATOM 0 H LEU A 112 1.930 -0.459 10.487 1.00 0.00 H new ATOM 0 HA LEU A 112 4.090 -2.311 11.302 1.00 0.00 H new ATOM 0 HB2 LEU A 112 2.057 -2.487 9.017 1.00 0.00 H new ATOM 0 HB3 LEU A 112 3.252 -3.710 9.399 1.00 0.00 H new ATOM 0 HG LEU A 112 1.058 -2.760 11.301 1.00 0.00 H new ATOM 0 HD11 LEU A 112 0.088 -5.014 10.889 1.00 0.00 H new ATOM 0 HD12 LEU A 112 0.197 -4.080 9.378 1.00 0.00 H new ATOM 0 HD13 LEU A 112 1.388 -5.357 9.722 1.00 0.00 H new ATOM 0 HD21 LEU A 112 1.780 -4.682 12.691 1.00 0.00 H new ATOM 0 HD22 LEU A 112 3.081 -5.034 11.528 1.00 0.00 H new ATOM 0 HD23 LEU A 112 3.109 -3.520 12.464 1.00 0.00 H new ATOM 585 N GLY A 113 5.683 -1.810 9.453 1.00 0.00 N ATOM 586 CA GLY A 113 6.705 -1.376 8.501 1.00 0.00 C ATOM 587 C GLY A 113 6.926 0.130 8.572 1.00 0.00 C ATOM 588 O GLY A 113 5.978 0.895 8.413 1.00 0.00 O ATOM 0 H GLY A 113 5.996 -2.532 10.103 1.00 0.00 H new ATOM 0 HA2 GLY A 113 7.642 -1.893 8.709 1.00 0.00 H new ATOM 0 HA3 GLY A 113 6.405 -1.654 7.491 1.00 0.00 H new ATOM 592 N GLU A 114 8.186 0.539 8.805 1.00 0.00 N ATOM 593 CA GLU A 114 8.548 1.964 8.888 1.00 0.00 C ATOM 594 C GLU A 114 7.307 2.834 9.015 1.00 0.00 C ATOM 595 O GLU A 114 6.731 3.255 8.014 1.00 0.00 O ATOM 596 CB GLU A 114 9.338 2.372 7.644 1.00 0.00 C ATOM 597 CG GLU A 114 10.720 1.717 7.682 1.00 0.00 C ATOM 598 CD GLU A 114 11.460 1.983 6.376 1.00 0.00 C ATOM 599 OE1 GLU A 114 10.828 2.458 5.447 1.00 0.00 O ATOM 600 OE2 GLU A 114 12.646 1.707 6.323 1.00 0.00 O ATOM 0 H GLU A 114 8.971 -0.099 8.939 1.00 0.00 H new ATOM 0 HA GLU A 114 9.163 2.109 9.776 1.00 0.00 H new ATOM 0 HB2 GLU A 114 8.804 2.067 6.744 1.00 0.00 H new ATOM 0 HB3 GLU A 114 9.438 3.457 7.603 1.00 0.00 H new ATOM 0 HG2 GLU A 114 11.294 2.109 8.521 1.00 0.00 H new ATOM 0 HG3 GLU A 114 10.618 0.643 7.840 1.00 0.00 H new ATOM 607 N LYS A 115 6.870 3.052 10.244 1.00 0.00 N ATOM 608 CA LYS A 115 5.658 3.822 10.490 1.00 0.00 C ATOM 609 C LYS A 115 5.643 5.121 9.685 1.00 0.00 C ATOM 610 O LYS A 115 6.630 5.855 9.648 1.00 0.00 O ATOM 611 CB LYS A 115 5.569 4.148 11.981 1.00 0.00 C ATOM 612 CG LYS A 115 5.541 2.846 12.787 1.00 0.00 C ATOM 613 CD LYS A 115 5.388 3.168 14.275 1.00 0.00 C ATOM 614 CE LYS A 115 5.350 1.867 15.080 1.00 0.00 C ATOM 615 NZ LYS A 115 6.648 1.152 14.931 1.00 0.00 N ATOM 0 H LYS A 115 7.333 2.709 11.086 1.00 0.00 H new ATOM 0 HA LYS A 115 4.803 3.223 10.177 1.00 0.00 H new ATOM 0 HB2 LYS A 115 6.421 4.757 12.283 1.00 0.00 H new ATOM 0 HB3 LYS A 115 4.672 4.733 12.183 1.00 0.00 H new ATOM 0 HG2 LYS A 115 4.715 2.218 12.454 1.00 0.00 H new ATOM 0 HG3 LYS A 115 6.459 2.282 12.619 1.00 0.00 H new ATOM 0 HD2 LYS A 115 6.218 3.791 14.610 1.00 0.00 H new ATOM 0 HD3 LYS A 115 4.474 3.738 14.442 1.00 0.00 H new ATOM 0 HE2 LYS A 115 5.160 2.083 16.131 1.00 0.00 H new ATOM 0 HE3 LYS A 115 4.533 1.235 14.732 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 6.754 0.461 15.701 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 6.669 0.657 14.017 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 7.429 1.838 14.971 1.00 0.00 H new ATOM 629 N LEU A 116 4.498 5.403 9.061 1.00 0.00 N ATOM 630 CA LEU A 116 4.336 6.627 8.277 1.00 0.00 C ATOM 631 C LEU A 116 3.802 7.731 9.188 1.00 0.00 C ATOM 632 O LEU A 116 3.198 7.443 10.221 1.00 0.00 O ATOM 633 CB LEU A 116 3.338 6.410 7.124 1.00 0.00 C ATOM 634 CG LEU A 116 4.045 5.934 5.843 1.00 0.00 C ATOM 635 CD1 LEU A 116 4.992 7.016 5.326 1.00 0.00 C ATOM 636 CD2 LEU A 116 4.842 4.664 6.137 1.00 0.00 C ATOM 0 H LEU A 116 3.673 4.803 9.083 1.00 0.00 H new ATOM 0 HA LEU A 116 5.303 6.905 7.858 1.00 0.00 H new ATOM 0 HB2 LEU A 116 2.591 5.674 7.422 1.00 0.00 H new ATOM 0 HB3 LEU A 116 2.807 7.340 6.922 1.00 0.00 H new ATOM 0 HG LEU A 116 3.291 5.728 5.084 1.00 0.00 H new ATOM 0 HD11 LEU A 116 5.485 6.665 4.419 1.00 0.00 H new ATOM 0 HD12 LEU A 116 4.425 7.920 5.104 1.00 0.00 H new ATOM 0 HD13 LEU A 116 5.742 7.236 6.085 1.00 0.00 H new ATOM 0 HD21 LEU A 116 5.342 4.329 5.228 1.00 0.00 H new ATOM 0 HD22 LEU A 116 5.587 4.872 6.905 1.00 0.00 H new ATOM 0 HD23 LEU A 116 4.167 3.884 6.488 1.00 0.00 H new ATOM 648 N THR A 117 4.007 8.990 8.811 1.00 0.00 N ATOM 649 CA THR A 117 3.515 10.101 9.619 1.00 0.00 C ATOM 650 C THR A 117 2.111 10.493 9.170 1.00 0.00 C ATOM 651 O THR A 117 1.638 10.039 8.128 1.00 0.00 O ATOM 652 CB THR A 117 4.452 11.303 9.486 1.00 0.00 C ATOM 653 OG1 THR A 117 4.453 11.752 8.138 1.00 0.00 O ATOM 654 CG2 THR A 117 5.868 10.894 9.891 1.00 0.00 C ATOM 0 H THR A 117 4.503 9.264 7.963 1.00 0.00 H new ATOM 0 HA THR A 117 3.482 9.787 10.662 1.00 0.00 H new ATOM 0 HB THR A 117 4.109 12.107 10.137 1.00 0.00 H new ATOM 0 HG1 THR A 117 5.057 11.192 7.607 1.00 0.00 H new ATOM 0 HG21 THR A 117 6.535 11.751 9.796 1.00 0.00 H new ATOM 0 HG22 THR A 117 5.865 10.549 10.925 1.00 0.00 H new ATOM 0 HG23 THR A 117 6.215 10.090 9.241 1.00 0.00 H new ATOM 662 N ASP A 118 1.440 11.326 9.960 1.00 0.00 N ATOM 663 CA ASP A 118 0.087 11.749 9.621 1.00 0.00 C ATOM 664 C ASP A 118 0.069 12.459 8.270 1.00 0.00 C ATOM 665 O ASP A 118 -0.839 12.257 7.464 1.00 0.00 O ATOM 666 CB ASP A 118 -0.447 12.695 10.700 1.00 0.00 C ATOM 667 CG ASP A 118 -0.737 11.918 11.979 1.00 0.00 C ATOM 668 OD1 ASP A 118 -0.761 10.699 11.916 1.00 0.00 O ATOM 669 OD2 ASP A 118 -0.929 12.552 13.003 1.00 0.00 O ATOM 0 H ASP A 118 1.806 11.717 10.828 1.00 0.00 H new ATOM 0 HA ASP A 118 -0.547 10.864 9.563 1.00 0.00 H new ATOM 0 HB2 ASP A 118 0.282 13.480 10.899 1.00 0.00 H new ATOM 0 HB3 ASP A 118 -1.355 13.185 10.349 1.00 0.00 H new ATOM 674 N GLU A 119 1.077 13.289 8.031 1.00 0.00 N ATOM 675 CA GLU A 119 1.167 14.022 6.771 1.00 0.00 C ATOM 676 C GLU A 119 1.300 13.047 5.606 1.00 0.00 C ATOM 677 O GLU A 119 0.658 13.212 4.568 1.00 0.00 O ATOM 678 CB GLU A 119 2.373 14.969 6.806 1.00 0.00 C ATOM 679 CG GLU A 119 2.445 15.783 5.508 1.00 0.00 C ATOM 680 CD GLU A 119 1.215 16.674 5.376 1.00 0.00 C ATOM 681 OE1 GLU A 119 0.580 16.928 6.387 1.00 0.00 O ATOM 682 OE2 GLU A 119 0.925 17.091 4.267 1.00 0.00 O ATOM 0 H GLU A 119 1.838 13.471 8.685 1.00 0.00 H new ATOM 0 HA GLU A 119 0.258 14.608 6.635 1.00 0.00 H new ATOM 0 HB2 GLU A 119 2.293 15.640 7.661 1.00 0.00 H new ATOM 0 HB3 GLU A 119 3.291 14.396 6.936 1.00 0.00 H new ATOM 0 HG2 GLU A 119 3.348 16.394 5.503 1.00 0.00 H new ATOM 0 HG3 GLU A 119 2.510 15.111 4.652 1.00 0.00 H new ATOM 689 N GLU A 120 2.121 12.019 5.793 1.00 0.00 N ATOM 690 CA GLU A 120 2.309 11.010 4.762 1.00 0.00 C ATOM 691 C GLU A 120 1.041 10.174 4.608 1.00 0.00 C ATOM 692 O GLU A 120 0.640 9.838 3.496 1.00 0.00 O ATOM 693 CB GLU A 120 3.507 10.125 5.117 1.00 0.00 C ATOM 694 CG GLU A 120 4.786 10.960 4.969 1.00 0.00 C ATOM 695 CD GLU A 120 6.013 10.143 5.356 1.00 0.00 C ATOM 696 OE1 GLU A 120 6.112 9.773 6.515 1.00 0.00 O ATOM 697 OE2 GLU A 120 6.836 9.899 4.490 1.00 0.00 O ATOM 0 H GLU A 120 2.663 11.865 6.643 1.00 0.00 H new ATOM 0 HA GLU A 120 2.510 11.500 3.809 1.00 0.00 H new ATOM 0 HB2 GLU A 120 3.414 9.751 6.137 1.00 0.00 H new ATOM 0 HB3 GLU A 120 3.544 9.255 4.461 1.00 0.00 H new ATOM 0 HG2 GLU A 120 4.883 11.305 3.940 1.00 0.00 H new ATOM 0 HG3 GLU A 120 4.721 11.848 5.598 1.00 0.00 H new ATOM 704 N VAL A 121 0.410 9.859 5.735 1.00 0.00 N ATOM 705 CA VAL A 121 -0.823 9.075 5.731 1.00 0.00 C ATOM 706 C VAL A 121 -1.953 9.841 5.042 1.00 0.00 C ATOM 707 O VAL A 121 -2.717 9.273 4.269 1.00 0.00 O ATOM 708 CB VAL A 121 -1.240 8.761 7.168 1.00 0.00 C ATOM 709 CG1 VAL A 121 -2.629 8.130 7.167 1.00 0.00 C ATOM 710 CG2 VAL A 121 -0.245 7.791 7.804 1.00 0.00 C ATOM 0 H VAL A 121 0.731 10.134 6.663 1.00 0.00 H new ATOM 0 HA VAL A 121 -0.637 8.151 5.184 1.00 0.00 H new ATOM 0 HB VAL A 121 -1.255 9.686 7.744 1.00 0.00 H new ATOM 0 HG11 VAL A 121 -2.927 7.906 8.191 1.00 0.00 H new ATOM 0 HG12 VAL A 121 -3.344 8.824 6.725 1.00 0.00 H new ATOM 0 HG13 VAL A 121 -2.610 7.209 6.585 1.00 0.00 H new ATOM 0 HG21 VAL A 121 -0.552 7.574 8.827 1.00 0.00 H new ATOM 0 HG22 VAL A 121 -0.221 6.866 7.229 1.00 0.00 H new ATOM 0 HG23 VAL A 121 0.748 8.240 7.810 1.00 0.00 H new ATOM 720 N ASP A 122 -2.075 11.128 5.340 1.00 0.00 N ATOM 721 CA ASP A 122 -3.138 11.925 4.742 1.00 0.00 C ATOM 722 C ASP A 122 -2.997 11.920 3.225 1.00 0.00 C ATOM 723 O ASP A 122 -3.984 11.792 2.501 1.00 0.00 O ATOM 724 CB ASP A 122 -3.073 13.362 5.268 1.00 0.00 C ATOM 725 CG ASP A 122 -3.525 13.403 6.724 1.00 0.00 C ATOM 726 OD1 ASP A 122 -4.085 12.419 7.177 1.00 0.00 O ATOM 727 OD2 ASP A 122 -3.303 14.418 7.364 1.00 0.00 O ATOM 0 H ASP A 122 -1.464 11.635 5.980 1.00 0.00 H new ATOM 0 HA ASP A 122 -4.102 11.493 5.012 1.00 0.00 H new ATOM 0 HB2 ASP A 122 -2.056 13.744 5.183 1.00 0.00 H new ATOM 0 HB3 ASP A 122 -3.708 14.009 4.663 1.00 0.00 H new ATOM 732 N GLU A 123 -1.762 12.028 2.750 1.00 0.00 N ATOM 733 CA GLU A 123 -1.505 11.999 1.317 1.00 0.00 C ATOM 734 C GLU A 123 -1.905 10.639 0.758 1.00 0.00 C ATOM 735 O GLU A 123 -2.483 10.538 -0.324 1.00 0.00 O ATOM 736 CB GLU A 123 -0.023 12.265 1.041 1.00 0.00 C ATOM 737 CG GLU A 123 0.231 12.263 -0.470 1.00 0.00 C ATOM 738 CD GLU A 123 1.686 12.623 -0.753 1.00 0.00 C ATOM 739 OE1 GLU A 123 2.405 12.891 0.195 1.00 0.00 O ATOM 740 OE2 GLU A 123 2.061 12.622 -1.915 1.00 0.00 O ATOM 0 H GLU A 123 -0.930 12.135 3.331 1.00 0.00 H new ATOM 0 HA GLU A 123 -2.094 12.777 0.831 1.00 0.00 H new ATOM 0 HB2 GLU A 123 0.269 13.225 1.467 1.00 0.00 H new ATOM 0 HB3 GLU A 123 0.589 11.503 1.523 1.00 0.00 H new ATOM 0 HG2 GLU A 123 0.003 11.281 -0.884 1.00 0.00 H new ATOM 0 HG3 GLU A 123 -0.431 12.977 -0.960 1.00 0.00 H new ATOM 747 N MET A 124 -1.598 9.596 1.522 1.00 0.00 N ATOM 748 CA MET A 124 -1.926 8.230 1.130 1.00 0.00 C ATOM 749 C MET A 124 -3.438 8.053 1.038 1.00 0.00 C ATOM 750 O MET A 124 -3.941 7.412 0.118 1.00 0.00 O ATOM 751 CB MET A 124 -1.365 7.268 2.178 1.00 0.00 C ATOM 752 CG MET A 124 0.160 7.261 2.096 1.00 0.00 C ATOM 753 SD MET A 124 0.689 6.050 0.864 1.00 0.00 S ATOM 754 CE MET A 124 0.483 4.584 1.905 1.00 0.00 C ATOM 0 H MET A 124 -1.120 9.671 2.420 1.00 0.00 H new ATOM 0 HA MET A 124 -1.489 8.021 0.153 1.00 0.00 H new ATOM 0 HB2 MET A 124 -1.685 7.572 3.175 1.00 0.00 H new ATOM 0 HB3 MET A 124 -1.754 6.264 2.011 1.00 0.00 H new ATOM 0 HG2 MET A 124 0.525 8.252 1.828 1.00 0.00 H new ATOM 0 HG3 MET A 124 0.586 7.017 3.069 1.00 0.00 H new ATOM 0 HE1 MET A 124 1.459 4.143 2.110 1.00 0.00 H new ATOM 0 HE2 MET A 124 0.009 4.868 2.844 1.00 0.00 H new ATOM 0 HE3 MET A 124 -0.143 3.856 1.389 1.00 0.00 H new ATOM 764 N ILE A 125 -4.154 8.630 2.003 1.00 0.00 N ATOM 765 CA ILE A 125 -5.612 8.534 2.039 1.00 0.00 C ATOM 766 C ILE A 125 -6.230 9.289 0.863 1.00 0.00 C ATOM 767 O ILE A 125 -7.262 8.884 0.327 1.00 0.00 O ATOM 768 CB ILE A 125 -6.131 9.092 3.384 1.00 0.00 C ATOM 769 CG1 ILE A 125 -6.486 7.953 4.361 1.00 0.00 C ATOM 770 CG2 ILE A 125 -7.363 9.985 3.182 1.00 0.00 C ATOM 771 CD1 ILE A 125 -5.217 7.472 5.065 1.00 0.00 C ATOM 0 H ILE A 125 -3.748 9.168 2.769 1.00 0.00 H new ATOM 0 HA ILE A 125 -5.905 7.488 1.953 1.00 0.00 H new ATOM 0 HB ILE A 125 -5.325 9.690 3.809 1.00 0.00 H new ATOM 0 HG12 ILE A 125 -7.212 8.302 5.095 1.00 0.00 H new ATOM 0 HG13 ILE A 125 -6.950 7.128 3.821 1.00 0.00 H new ATOM 0 HG21 ILE A 125 -7.702 10.361 4.147 1.00 0.00 H new ATOM 0 HG22 ILE A 125 -7.102 10.824 2.537 1.00 0.00 H new ATOM 0 HG23 ILE A 125 -8.161 9.405 2.718 1.00 0.00 H new ATOM 0 HD11 ILE A 125 -5.467 6.667 5.756 1.00 0.00 H new ATOM 0 HD12 ILE A 125 -4.506 7.107 4.324 1.00 0.00 H new ATOM 0 HD13 ILE A 125 -4.772 8.299 5.618 1.00 0.00 H new ATOM 783 N ARG A 126 -5.598 10.387 0.471 1.00 0.00 N ATOM 784 CA ARG A 126 -6.097 11.194 -0.638 1.00 0.00 C ATOM 785 C ARG A 126 -6.079 10.392 -1.937 1.00 0.00 C ATOM 786 O ARG A 126 -6.928 10.581 -2.808 1.00 0.00 O ATOM 787 CB ARG A 126 -5.239 12.451 -0.796 1.00 0.00 C ATOM 788 CG ARG A 126 -5.457 13.378 0.406 1.00 0.00 C ATOM 789 CD ARG A 126 -6.134 14.675 -0.049 1.00 0.00 C ATOM 790 NE ARG A 126 -7.478 14.398 -0.542 1.00 0.00 N ATOM 791 CZ ARG A 126 -8.323 15.384 -0.823 1.00 0.00 C ATOM 792 NH1 ARG A 126 -7.959 16.625 -0.647 1.00 0.00 N ATOM 793 NH2 ARG A 126 -9.519 15.113 -1.271 1.00 0.00 N ATOM 0 H ARG A 126 -4.743 10.739 0.901 1.00 0.00 H new ATOM 0 HA ARG A 126 -7.125 11.483 -0.420 1.00 0.00 H new ATOM 0 HB2 ARG A 126 -4.186 12.178 -0.871 1.00 0.00 H new ATOM 0 HB3 ARG A 126 -5.501 12.968 -1.719 1.00 0.00 H new ATOM 0 HG2 ARG A 126 -6.074 12.879 1.154 1.00 0.00 H new ATOM 0 HG3 ARG A 126 -4.502 13.604 0.880 1.00 0.00 H new ATOM 0 HD2 ARG A 126 -6.182 15.379 0.782 1.00 0.00 H new ATOM 0 HD3 ARG A 126 -5.542 15.147 -0.833 1.00 0.00 H new ATOM 0 HE ARG A 126 -7.774 13.431 -0.673 1.00 0.00 H new ATOM 0 HH11 ARG A 126 -7.026 16.838 -0.294 1.00 0.00 H new ATOM 0 HH12 ARG A 126 -8.608 17.382 -0.863 1.00 0.00 H new ATOM 0 HH21 ARG A 126 -9.806 14.143 -1.406 1.00 0.00 H new ATOM 0 HH22 ARG A 126 -10.167 15.871 -1.486 1.00 0.00 H new ATOM 807 N GLU A 127 -5.110 9.492 -2.052 1.00 0.00 N ATOM 808 CA GLU A 127 -4.994 8.656 -3.242 1.00 0.00 C ATOM 809 C GLU A 127 -5.676 7.305 -3.025 1.00 0.00 C ATOM 810 O GLU A 127 -5.841 6.524 -3.962 1.00 0.00 O ATOM 811 CB GLU A 127 -3.518 8.448 -3.590 1.00 0.00 C ATOM 812 CG GLU A 127 -2.928 9.770 -4.091 1.00 0.00 C ATOM 813 CD GLU A 127 -1.415 9.651 -4.243 1.00 0.00 C ATOM 814 OE1 GLU A 127 -0.854 8.723 -3.687 1.00 0.00 O ATOM 815 OE2 GLU A 127 -0.841 10.492 -4.916 1.00 0.00 O ATOM 0 H GLU A 127 -4.398 9.322 -1.342 1.00 0.00 H new ATOM 0 HA GLU A 127 -5.491 9.162 -4.070 1.00 0.00 H new ATOM 0 HB2 GLU A 127 -2.971 8.101 -2.714 1.00 0.00 H new ATOM 0 HB3 GLU A 127 -3.417 7.678 -4.355 1.00 0.00 H new ATOM 0 HG2 GLU A 127 -3.377 10.037 -5.048 1.00 0.00 H new ATOM 0 HG3 GLU A 127 -3.168 10.571 -3.392 1.00 0.00 H new ATOM 822 N ALA A 128 -6.057 7.033 -1.780 1.00 0.00 N ATOM 823 CA ALA A 128 -6.708 5.767 -1.445 1.00 0.00 C ATOM 824 C ALA A 128 -8.188 5.780 -1.843 1.00 0.00 C ATOM 825 O ALA A 128 -8.559 5.170 -2.842 1.00 0.00 O ATOM 826 CB ALA A 128 -6.573 5.504 0.056 1.00 0.00 C ATOM 0 H ALA A 128 -5.928 7.666 -0.991 1.00 0.00 H new ATOM 0 HA ALA A 128 -6.217 4.970 -2.004 1.00 0.00 H new ATOM 0 HB1 ALA A 128 -7.058 4.560 0.305 1.00 0.00 H new ATOM 0 HB2 ALA A 128 -5.517 5.451 0.323 1.00 0.00 H new ATOM 0 HB3 ALA A 128 -7.047 6.313 0.611 1.00 0.00 H new ATOM 832 N ASP A 129 -9.008 6.506 -1.067 1.00 0.00 N ATOM 833 CA ASP A 129 -10.455 6.630 -1.335 1.00 0.00 C ATOM 834 C ASP A 129 -11.177 7.266 -0.144 1.00 0.00 C ATOM 835 O ASP A 129 -11.047 8.461 0.118 1.00 0.00 O ATOM 836 CB ASP A 129 -11.101 5.259 -1.612 1.00 0.00 C ATOM 837 CG ASP A 129 -12.611 5.418 -1.772 1.00 0.00 C ATOM 838 OD1 ASP A 129 -13.024 5.999 -2.762 1.00 0.00 O ATOM 839 OD2 ASP A 129 -13.331 4.956 -0.903 1.00 0.00 O ATOM 0 H ASP A 129 -8.694 7.020 -0.244 1.00 0.00 H new ATOM 0 HA ASP A 129 -10.556 7.262 -2.217 1.00 0.00 H new ATOM 0 HB2 ASP A 129 -10.675 4.823 -2.515 1.00 0.00 H new ATOM 0 HB3 ASP A 129 -10.884 4.573 -0.793 1.00 0.00 H new ATOM 844 N ILE A 130 -11.939 6.436 0.564 1.00 0.00 N ATOM 845 CA ILE A 130 -12.699 6.859 1.730 1.00 0.00 C ATOM 846 C ILE A 130 -13.732 7.925 1.387 1.00 0.00 C ATOM 847 O ILE A 130 -13.820 8.954 2.057 1.00 0.00 O ATOM 848 CB ILE A 130 -11.770 7.385 2.820 1.00 0.00 C ATOM 849 CG1 ILE A 130 -10.772 6.293 3.208 1.00 0.00 C ATOM 850 CG2 ILE A 130 -12.605 7.764 4.045 1.00 0.00 C ATOM 851 CD1 ILE A 130 -9.693 6.888 4.111 1.00 0.00 C ATOM 0 H ILE A 130 -12.045 5.446 0.341 1.00 0.00 H new ATOM 0 HA ILE A 130 -13.228 5.979 2.095 1.00 0.00 H new ATOM 0 HB ILE A 130 -11.230 8.258 2.454 1.00 0.00 H new ATOM 0 HG12 ILE A 130 -11.286 5.482 3.723 1.00 0.00 H new ATOM 0 HG13 ILE A 130 -10.318 5.866 2.314 1.00 0.00 H new ATOM 0 HG21 ILE A 130 -11.949 8.141 4.830 1.00 0.00 H new ATOM 0 HG22 ILE A 130 -13.324 8.536 3.771 1.00 0.00 H new ATOM 0 HG23 ILE A 130 -13.137 6.885 4.408 1.00 0.00 H new ATOM 0 HD11 ILE A 130 -8.981 6.111 4.388 1.00 0.00 H new ATOM 0 HD12 ILE A 130 -9.172 7.684 3.579 1.00 0.00 H new ATOM 0 HD13 ILE A 130 -10.155 7.294 5.011 1.00 0.00 H new ATOM 894 N GLY A 134 -15.443 4.201 3.708 1.00 0.00 N ATOM 895 CA GLY A 134 -14.098 4.093 4.255 1.00 0.00 C ATOM 896 C GLY A 134 -13.282 3.023 3.538 1.00 0.00 C ATOM 897 O GLY A 134 -12.061 3.071 3.556 1.00 0.00 O ATOM 0 HA2 GLY A 134 -13.592 5.055 4.170 1.00 0.00 H new ATOM 0 HA3 GLY A 134 -14.155 3.856 5.317 1.00 0.00 H new ATOM 901 N GLN A 135 -13.948 2.055 2.916 1.00 0.00 N ATOM 902 CA GLN A 135 -13.224 0.993 2.218 1.00 0.00 C ATOM 903 C GLN A 135 -12.318 1.566 1.136 1.00 0.00 C ATOM 904 O GLN A 135 -12.620 2.598 0.536 1.00 0.00 O ATOM 905 CB GLN A 135 -14.195 -0.011 1.596 1.00 0.00 C ATOM 906 CG GLN A 135 -15.197 0.725 0.707 1.00 0.00 C ATOM 907 CD GLN A 135 -16.230 -0.257 0.163 1.00 0.00 C ATOM 908 OE1 GLN A 135 -17.003 -0.832 0.928 1.00 0.00 O ATOM 909 NE2 GLN A 135 -16.288 -0.485 -1.120 1.00 0.00 N ATOM 0 H GLN A 135 -14.965 1.981 2.879 1.00 0.00 H new ATOM 0 HA GLN A 135 -12.607 0.479 2.955 1.00 0.00 H new ATOM 0 HB2 GLN A 135 -13.646 -0.747 1.009 1.00 0.00 H new ATOM 0 HB3 GLN A 135 -14.721 -0.556 2.380 1.00 0.00 H new ATOM 0 HG2 GLN A 135 -15.694 1.510 1.277 1.00 0.00 H new ATOM 0 HG3 GLN A 135 -14.676 1.211 -0.117 1.00 0.00 H new ATOM 0 HE21 GLN A 135 -15.646 -0.007 -1.752 1.00 0.00 H new ATOM 0 HE22 GLN A 135 -16.975 -1.141 -1.491 1.00 0.00 H new ATOM 918 N VAL A 136 -11.198 0.886 0.902 1.00 0.00 N ATOM 919 CA VAL A 136 -10.231 1.322 -0.099 1.00 0.00 C ATOM 920 C VAL A 136 -9.886 0.192 -1.058 1.00 0.00 C ATOM 921 O VAL A 136 -9.627 -0.936 -0.640 1.00 0.00 O ATOM 922 CB VAL A 136 -8.965 1.826 0.605 1.00 0.00 C ATOM 923 CG1 VAL A 136 -7.712 1.522 -0.228 1.00 0.00 C ATOM 924 CG2 VAL A 136 -9.075 3.337 0.789 1.00 0.00 C ATOM 0 H VAL A 136 -10.939 0.030 1.393 1.00 0.00 H new ATOM 0 HA VAL A 136 -10.672 2.130 -0.683 1.00 0.00 H new ATOM 0 HB VAL A 136 -8.876 1.320 1.567 1.00 0.00 H new ATOM 0 HG11 VAL A 136 -6.829 1.890 0.295 1.00 0.00 H new ATOM 0 HG12 VAL A 136 -7.625 0.445 -0.374 1.00 0.00 H new ATOM 0 HG13 VAL A 136 -7.791 2.014 -1.197 1.00 0.00 H new ATOM 0 HG21 VAL A 136 -8.181 3.709 1.289 1.00 0.00 H new ATOM 0 HG22 VAL A 136 -9.172 3.816 -0.185 1.00 0.00 H new ATOM 0 HG23 VAL A 136 -9.951 3.567 1.395 1.00 0.00 H new ATOM 934 N ASN A 137 -9.869 0.511 -2.348 1.00 0.00 N ATOM 935 CA ASN A 137 -9.537 -0.480 -3.359 1.00 0.00 C ATOM 936 C ASN A 137 -8.040 -0.423 -3.671 1.00 0.00 C ATOM 937 O ASN A 137 -7.541 0.583 -4.176 1.00 0.00 O ATOM 938 CB ASN A 137 -10.340 -0.217 -4.634 1.00 0.00 C ATOM 939 CG ASN A 137 -9.914 1.105 -5.265 1.00 0.00 C ATOM 940 OD1 ASN A 137 -9.387 1.982 -4.579 1.00 0.00 O ATOM 941 ND2 ASN A 137 -10.113 1.303 -6.540 1.00 0.00 N ATOM 0 H ASN A 137 -10.079 1.440 -2.713 1.00 0.00 H new ATOM 0 HA ASN A 137 -9.787 -1.470 -2.979 1.00 0.00 H new ATOM 0 HB2 ASN A 137 -10.188 -1.031 -5.342 1.00 0.00 H new ATOM 0 HB3 ASN A 137 -11.405 -0.191 -4.402 1.00 0.00 H new ATOM 0 HD21 ASN A 137 -9.832 2.185 -6.969 1.00 0.00 H new ATOM 0 HD22 ASN A 137 -10.549 0.576 -7.107 1.00 0.00 H new ATOM 948 N TYR A 138 -7.320 -1.493 -3.349 1.00 0.00 N ATOM 949 CA TYR A 138 -5.877 -1.529 -3.580 1.00 0.00 C ATOM 950 C TYR A 138 -5.529 -1.478 -5.067 1.00 0.00 C ATOM 951 O TYR A 138 -4.359 -1.344 -5.425 1.00 0.00 O ATOM 952 CB TYR A 138 -5.268 -2.789 -2.958 1.00 0.00 C ATOM 953 CG TYR A 138 -5.921 -4.025 -3.535 1.00 0.00 C ATOM 954 CD1 TYR A 138 -5.450 -4.575 -4.734 1.00 0.00 C ATOM 955 CD2 TYR A 138 -6.990 -4.626 -2.865 1.00 0.00 C ATOM 956 CE1 TYR A 138 -6.053 -5.726 -5.259 1.00 0.00 C ATOM 957 CE2 TYR A 138 -7.590 -5.773 -3.383 1.00 0.00 C ATOM 958 CZ TYR A 138 -7.124 -6.327 -4.582 1.00 0.00 C ATOM 959 OH TYR A 138 -7.717 -7.461 -5.096 1.00 0.00 O ATOM 0 H TYR A 138 -7.706 -2.340 -2.931 1.00 0.00 H new ATOM 0 HA TYR A 138 -5.457 -0.642 -3.106 1.00 0.00 H new ATOM 0 HB2 TYR A 138 -4.195 -2.814 -3.147 1.00 0.00 H new ATOM 0 HB3 TYR A 138 -5.401 -2.770 -1.876 1.00 0.00 H new ATOM 0 HD1 TYR A 138 -4.623 -4.113 -5.253 1.00 0.00 H new ATOM 0 HD2 TYR A 138 -7.353 -4.200 -1.941 1.00 0.00 H new ATOM 0 HE1 TYR A 138 -5.693 -6.150 -6.185 1.00 0.00 H new ATOM 0 HE2 TYR A 138 -8.414 -6.234 -2.860 1.00 0.00 H new ATOM 0 HH TYR A 138 -8.067 -8.009 -4.362 1.00 0.00 H new ATOM 969 N GLU A 139 -6.529 -1.600 -5.932 1.00 0.00 N ATOM 970 CA GLU A 139 -6.265 -1.578 -7.367 1.00 0.00 C ATOM 971 C GLU A 139 -5.601 -0.258 -7.769 1.00 0.00 C ATOM 972 O GLU A 139 -4.588 -0.258 -8.469 1.00 0.00 O ATOM 973 CB GLU A 139 -7.577 -1.773 -8.136 1.00 0.00 C ATOM 974 CG GLU A 139 -7.312 -1.782 -9.646 1.00 0.00 C ATOM 975 CD GLU A 139 -6.410 -2.954 -10.016 1.00 0.00 C ATOM 976 OE1 GLU A 139 -6.347 -3.896 -9.244 1.00 0.00 O ATOM 977 OE2 GLU A 139 -5.793 -2.891 -11.068 1.00 0.00 O ATOM 0 H GLU A 139 -7.509 -1.713 -5.674 1.00 0.00 H new ATOM 0 HA GLU A 139 -5.583 -2.392 -7.615 1.00 0.00 H new ATOM 0 HB2 GLU A 139 -8.046 -2.710 -7.837 1.00 0.00 H new ATOM 0 HB3 GLU A 139 -8.275 -0.973 -7.887 1.00 0.00 H new ATOM 0 HG2 GLU A 139 -8.255 -1.855 -10.188 1.00 0.00 H new ATOM 0 HG3 GLU A 139 -6.844 -0.845 -9.946 1.00 0.00 H new ATOM 984 N GLU A 140 -6.179 0.863 -7.345 1.00 0.00 N ATOM 985 CA GLU A 140 -5.632 2.176 -7.693 1.00 0.00 C ATOM 986 C GLU A 140 -4.206 2.333 -7.168 1.00 0.00 C ATOM 987 O GLU A 140 -3.347 2.894 -7.846 1.00 0.00 O ATOM 988 CB GLU A 140 -6.514 3.281 -7.109 1.00 0.00 C ATOM 989 CG GLU A 140 -7.867 3.288 -7.826 1.00 0.00 C ATOM 990 CD GLU A 140 -7.696 3.774 -9.262 1.00 0.00 C ATOM 991 OE1 GLU A 140 -6.672 4.372 -9.546 1.00 0.00 O ATOM 992 OE2 GLU A 140 -8.594 3.541 -10.055 1.00 0.00 O ATOM 0 H GLU A 140 -7.018 0.892 -6.765 1.00 0.00 H new ATOM 0 HA GLU A 140 -5.613 2.257 -8.780 1.00 0.00 H new ATOM 0 HB2 GLU A 140 -6.658 3.120 -6.041 1.00 0.00 H new ATOM 0 HB3 GLU A 140 -6.025 4.249 -7.222 1.00 0.00 H new ATOM 0 HG2 GLU A 140 -8.295 2.286 -7.822 1.00 0.00 H new ATOM 0 HG3 GLU A 140 -8.565 3.935 -7.295 1.00 0.00 H new ATOM 999 N PHE A 141 -3.958 1.812 -5.974 1.00 0.00 N ATOM 1000 CA PHE A 141 -2.619 1.885 -5.397 1.00 0.00 C ATOM 1001 C PHE A 141 -1.632 1.150 -6.288 1.00 0.00 C ATOM 1002 O PHE A 141 -0.537 1.641 -6.556 1.00 0.00 O ATOM 1003 CB PHE A 141 -2.601 1.287 -3.991 1.00 0.00 C ATOM 1004 CG PHE A 141 -2.657 2.403 -2.975 1.00 0.00 C ATOM 1005 CD1 PHE A 141 -1.559 3.258 -2.828 1.00 0.00 C ATOM 1006 CD2 PHE A 141 -3.792 2.580 -2.178 1.00 0.00 C ATOM 1007 CE1 PHE A 141 -1.593 4.290 -1.886 1.00 0.00 C ATOM 1008 CE2 PHE A 141 -3.826 3.614 -1.236 1.00 0.00 C ATOM 1009 CZ PHE A 141 -2.727 4.468 -1.089 1.00 0.00 C ATOM 0 H PHE A 141 -4.652 1.341 -5.393 1.00 0.00 H new ATOM 0 HA PHE A 141 -2.329 2.933 -5.327 1.00 0.00 H new ATOM 0 HB2 PHE A 141 -3.449 0.615 -3.858 1.00 0.00 H new ATOM 0 HB3 PHE A 141 -1.698 0.693 -3.847 1.00 0.00 H new ATOM 0 HD1 PHE A 141 -0.683 3.120 -3.444 1.00 0.00 H new ATOM 0 HD2 PHE A 141 -4.640 1.921 -2.289 1.00 0.00 H new ATOM 0 HE1 PHE A 141 -0.744 4.949 -1.774 1.00 0.00 H new ATOM 0 HE2 PHE A 141 -4.703 3.753 -0.621 1.00 0.00 H new ATOM 0 HZ PHE A 141 -2.755 5.264 -0.360 1.00 0.00 H new ATOM 1019 N VAL A 142 -2.032 -0.022 -6.762 1.00 0.00 N ATOM 1020 CA VAL A 142 -1.177 -0.801 -7.642 1.00 0.00 C ATOM 1021 C VAL A 142 -0.949 -0.066 -8.959 1.00 0.00 C ATOM 1022 O VAL A 142 0.185 0.021 -9.431 1.00 0.00 O ATOM 1023 CB VAL A 142 -1.791 -2.176 -7.880 1.00 0.00 C ATOM 1024 CG1 VAL A 142 -1.024 -2.900 -8.988 1.00 0.00 C ATOM 1025 CG2 VAL A 142 -1.687 -2.985 -6.584 1.00 0.00 C ATOM 0 H VAL A 142 -2.934 -0.450 -6.554 1.00 0.00 H new ATOM 0 HA VAL A 142 -0.206 -0.935 -7.164 1.00 0.00 H new ATOM 0 HB VAL A 142 -2.834 -2.069 -8.178 1.00 0.00 H new ATOM 0 HG11 VAL A 142 -1.466 -3.882 -9.155 1.00 0.00 H new ATOM 0 HG12 VAL A 142 -1.077 -2.317 -9.908 1.00 0.00 H new ATOM 0 HG13 VAL A 142 0.019 -3.017 -8.692 1.00 0.00 H new ATOM 0 HG21 VAL A 142 -2.122 -3.973 -6.736 1.00 0.00 H new ATOM 0 HG22 VAL A 142 -0.639 -3.089 -6.303 1.00 0.00 H new ATOM 0 HG23 VAL A 142 -2.226 -2.470 -5.789 1.00 0.00 H new ATOM 1035 N GLN A 143 -2.014 0.480 -9.547 1.00 0.00 N ATOM 1036 CA GLN A 143 -1.864 1.216 -10.798 1.00 0.00 C ATOM 1037 C GLN A 143 -0.982 2.431 -10.555 1.00 0.00 C ATOM 1038 O GLN A 143 -0.095 2.744 -11.347 1.00 0.00 O ATOM 1039 CB GLN A 143 -3.227 1.675 -11.321 1.00 0.00 C ATOM 1040 CG GLN A 143 -4.039 0.465 -11.781 1.00 0.00 C ATOM 1041 CD GLN A 143 -5.393 0.923 -12.312 1.00 0.00 C ATOM 1042 OE1 GLN A 143 -6.419 0.969 -11.508 1.00 0.00 O flip ATOM 1043 NE2 GLN A 143 -5.515 1.266 -13.488 1.00 0.00 N flip ATOM 0 H GLN A 143 -2.967 0.428 -9.187 1.00 0.00 H new ATOM 0 HA GLN A 143 -1.409 0.562 -11.541 1.00 0.00 H new ATOM 0 HB2 GLN A 143 -3.766 2.210 -10.539 1.00 0.00 H new ATOM 0 HB3 GLN A 143 -3.093 2.371 -12.149 1.00 0.00 H new ATOM 0 HG2 GLN A 143 -3.497 -0.074 -12.558 1.00 0.00 H new ATOM 0 HG3 GLN A 143 -4.179 -0.227 -10.951 1.00 0.00 H new ATOM 0 HE21 GLN A 143 -4.712 1.230 -14.116 1.00 0.00 H new ATOM 0 HE22 GLN A 143 -6.419 1.587 -13.835 1.00 0.00 H new ATOM 1052 N MET A 144 -1.217 3.086 -9.426 1.00 0.00 N ATOM 1053 CA MET A 144 -0.432 4.246 -9.039 1.00 0.00 C ATOM 1054 C MET A 144 1.028 3.834 -8.892 1.00 0.00 C ATOM 1055 O MET A 144 1.926 4.511 -9.392 1.00 0.00 O ATOM 1056 CB MET A 144 -1.008 4.814 -7.727 1.00 0.00 C ATOM 1057 CG MET A 144 0.063 5.530 -6.902 1.00 0.00 C ATOM 1058 SD MET A 144 -0.708 6.821 -5.885 1.00 0.00 S ATOM 1059 CE MET A 144 -1.073 5.814 -4.423 1.00 0.00 C ATOM 0 H MET A 144 -1.948 2.831 -8.762 1.00 0.00 H new ATOM 0 HA MET A 144 -0.481 5.026 -9.798 1.00 0.00 H new ATOM 0 HB2 MET A 144 -1.816 5.509 -7.955 1.00 0.00 H new ATOM 0 HB3 MET A 144 -1.440 4.004 -7.139 1.00 0.00 H new ATOM 0 HG2 MET A 144 0.584 4.815 -6.265 1.00 0.00 H new ATOM 0 HG3 MET A 144 0.810 5.971 -7.562 1.00 0.00 H new ATOM 0 HE1 MET A 144 -1.426 6.457 -3.617 1.00 0.00 H new ATOM 0 HE2 MET A 144 -1.844 5.083 -4.668 1.00 0.00 H new ATOM 0 HE3 MET A 144 -0.169 5.295 -4.104 1.00 0.00 H new ATOM 1069 N MET A 145 1.260 2.724 -8.208 1.00 0.00 N ATOM 1070 CA MET A 145 2.618 2.238 -8.008 1.00 0.00 C ATOM 1071 C MET A 145 3.190 1.614 -9.280 1.00 0.00 C ATOM 1072 O MET A 145 4.407 1.469 -9.409 1.00 0.00 O ATOM 1073 CB MET A 145 2.642 1.211 -6.872 1.00 0.00 C ATOM 1074 CG MET A 145 3.054 1.911 -5.579 1.00 0.00 C ATOM 1075 SD MET A 145 3.007 0.731 -4.212 1.00 0.00 S ATOM 1076 CE MET A 145 1.471 1.334 -3.478 1.00 0.00 C ATOM 0 H MET A 145 0.533 2.147 -7.785 1.00 0.00 H new ATOM 0 HA MET A 145 3.241 3.093 -7.746 1.00 0.00 H new ATOM 0 HB2 MET A 145 1.659 0.754 -6.756 1.00 0.00 H new ATOM 0 HB3 MET A 145 3.341 0.408 -7.105 1.00 0.00 H new ATOM 0 HG2 MET A 145 4.057 2.325 -5.681 1.00 0.00 H new ATOM 0 HG3 MET A 145 2.383 2.746 -5.376 1.00 0.00 H new ATOM 0 HE1 MET A 145 1.045 0.561 -2.838 1.00 0.00 H new ATOM 0 HE2 MET A 145 1.677 2.224 -2.883 1.00 0.00 H new ATOM 0 HE3 MET A 145 0.763 1.582 -4.269 1.00 0.00 H new ATOM 1214 N ASP B 35 0.006 -10.745 13.544 1.00 0.00 N ATOM 1215 CA ASP B 35 0.966 -11.623 14.204 1.00 0.00 C ATOM 1216 C ASP B 35 1.889 -12.291 13.188 1.00 0.00 C ATOM 1217 O ASP B 35 3.079 -12.471 13.450 1.00 0.00 O ATOM 1218 CB ASP B 35 0.226 -12.698 15.003 1.00 0.00 C ATOM 1219 CG ASP B 35 -0.432 -12.076 16.231 1.00 0.00 C ATOM 1220 OD1 ASP B 35 -0.100 -10.946 16.549 1.00 0.00 O ATOM 1221 OD2 ASP B 35 -1.257 -12.740 16.836 1.00 0.00 O ATOM 0 HA ASP B 35 1.572 -11.016 14.876 1.00 0.00 H new ATOM 0 HB2 ASP B 35 -0.529 -13.173 14.377 1.00 0.00 H new ATOM 0 HB3 ASP B 35 0.922 -13.479 15.310 1.00 0.00 H new ATOM 1226 N ALA B 36 1.343 -12.665 12.037 1.00 0.00 N ATOM 1227 CA ALA B 36 2.148 -13.317 11.011 1.00 0.00 C ATOM 1228 C ALA B 36 3.295 -12.394 10.558 1.00 0.00 C ATOM 1229 O ALA B 36 3.032 -11.298 10.063 1.00 0.00 O ATOM 1230 CB ALA B 36 1.266 -13.638 9.802 1.00 0.00 C ATOM 0 H ALA B 36 0.362 -12.531 11.793 1.00 0.00 H new ATOM 0 HA ALA B 36 2.568 -14.233 11.427 1.00 0.00 H new ATOM 0 HB1 ALA B 36 1.866 -14.126 9.033 1.00 0.00 H new ATOM 0 HB2 ALA B 36 0.458 -14.302 10.107 1.00 0.00 H new ATOM 0 HB3 ALA B 36 0.846 -12.715 9.403 1.00 0.00 H new ATOM 1236 N PRO B 37 4.551 -12.796 10.685 1.00 0.00 N ATOM 1237 CA PRO B 37 5.706 -11.949 10.240 1.00 0.00 C ATOM 1238 C PRO B 37 5.554 -11.466 8.799 1.00 0.00 C ATOM 1239 O PRO B 37 5.994 -10.369 8.452 1.00 0.00 O ATOM 1240 CB PRO B 37 6.907 -12.891 10.349 1.00 0.00 C ATOM 1241 CG PRO B 37 6.533 -13.857 11.412 1.00 0.00 C ATOM 1242 CD PRO B 37 5.028 -14.069 11.276 1.00 0.00 C ATOM 0 HA PRO B 37 5.795 -11.045 10.842 1.00 0.00 H new ATOM 0 HB2 PRO B 37 7.100 -13.398 9.403 1.00 0.00 H new ATOM 0 HB3 PRO B 37 7.815 -12.347 10.610 1.00 0.00 H new ATOM 0 HG2 PRO B 37 7.072 -14.797 11.292 1.00 0.00 H new ATOM 0 HG3 PRO B 37 6.785 -13.468 12.399 1.00 0.00 H new ATOM 0 HD2 PRO B 37 4.799 -14.920 10.635 1.00 0.00 H new ATOM 0 HD3 PRO B 37 4.561 -14.263 12.242 1.00 0.00 H new ATOM 1250 N GLU B 38 4.941 -12.296 7.965 1.00 0.00 N ATOM 1251 CA GLU B 38 4.750 -11.951 6.560 1.00 0.00 C ATOM 1252 C GLU B 38 3.908 -10.687 6.418 1.00 0.00 C ATOM 1253 O GLU B 38 4.164 -9.858 5.545 1.00 0.00 O ATOM 1254 CB GLU B 38 4.063 -13.107 5.829 1.00 0.00 C ATOM 1255 CG GLU B 38 5.014 -14.303 5.752 1.00 0.00 C ATOM 1256 CD GLU B 38 6.170 -13.992 4.808 1.00 0.00 C ATOM 1257 OE1 GLU B 38 6.043 -13.054 4.037 1.00 0.00 O ATOM 1258 OE2 GLU B 38 7.165 -14.694 4.869 1.00 0.00 O ATOM 0 H GLU B 38 4.569 -13.207 8.233 1.00 0.00 H new ATOM 0 HA GLU B 38 5.730 -11.767 6.119 1.00 0.00 H new ATOM 0 HB2 GLU B 38 3.149 -13.389 6.352 1.00 0.00 H new ATOM 0 HB3 GLU B 38 3.773 -12.795 4.826 1.00 0.00 H new ATOM 0 HG2 GLU B 38 5.398 -14.537 6.745 1.00 0.00 H new ATOM 0 HG3 GLU B 38 4.476 -15.184 5.403 1.00 0.00 H new ATOM 1265 N THR B 39 2.901 -10.545 7.271 1.00 0.00 N ATOM 1266 CA THR B 39 2.033 -9.375 7.216 1.00 0.00 C ATOM 1267 C THR B 39 2.838 -8.098 7.436 1.00 0.00 C ATOM 1268 O THR B 39 2.675 -7.119 6.708 1.00 0.00 O ATOM 1269 CB THR B 39 0.942 -9.484 8.282 1.00 0.00 C ATOM 1270 OG1 THR B 39 0.156 -10.641 8.032 1.00 0.00 O ATOM 1271 CG2 THR B 39 0.052 -8.241 8.237 1.00 0.00 C ATOM 0 H THR B 39 2.667 -11.217 8.002 1.00 0.00 H new ATOM 0 HA THR B 39 1.573 -9.334 6.229 1.00 0.00 H new ATOM 0 HB THR B 39 1.402 -9.560 9.267 1.00 0.00 H new ATOM 0 HG1 THR B 39 -0.543 -10.715 8.714 1.00 0.00 H new ATOM 0 HG21 THR B 39 -0.724 -8.322 8.998 1.00 0.00 H new ATOM 0 HG22 THR B 39 0.656 -7.354 8.428 1.00 0.00 H new ATOM 0 HG23 THR B 39 -0.411 -8.160 7.253 1.00 0.00 H new ATOM 1279 N GLU B 40 3.707 -8.114 8.441 1.00 0.00 N ATOM 1280 CA GLU B 40 4.532 -6.948 8.738 1.00 0.00 C ATOM 1281 C GLU B 40 5.451 -6.632 7.562 1.00 0.00 C ATOM 1282 O GLU B 40 5.630 -5.470 7.194 1.00 0.00 O ATOM 1283 CB GLU B 40 5.371 -7.208 9.993 1.00 0.00 C ATOM 1284 CG GLU B 40 6.132 -5.935 10.384 1.00 0.00 C ATOM 1285 CD GLU B 40 7.379 -5.768 9.516 1.00 0.00 C ATOM 1286 OE1 GLU B 40 7.906 -6.771 9.065 1.00 0.00 O ATOM 1287 OE2 GLU B 40 7.789 -4.636 9.319 1.00 0.00 O ATOM 0 H GLU B 40 3.858 -8.912 9.058 1.00 0.00 H new ATOM 0 HA GLU B 40 3.877 -6.094 8.912 1.00 0.00 H new ATOM 0 HB2 GLU B 40 4.726 -7.523 10.813 1.00 0.00 H new ATOM 0 HB3 GLU B 40 6.074 -8.021 9.809 1.00 0.00 H new ATOM 0 HG2 GLU B 40 5.483 -5.067 10.269 1.00 0.00 H new ATOM 0 HG3 GLU B 40 6.417 -5.983 11.435 1.00 0.00 H new ATOM 1294 N ARG B 41 6.032 -7.675 6.976 1.00 0.00 N ATOM 1295 CA ARG B 41 6.932 -7.503 5.840 1.00 0.00 C ATOM 1296 C ARG B 41 6.186 -6.901 4.652 1.00 0.00 C ATOM 1297 O ARG B 41 6.725 -6.067 3.926 1.00 0.00 O ATOM 1298 CB ARG B 41 7.536 -8.853 5.439 1.00 0.00 C ATOM 1299 CG ARG B 41 8.510 -9.341 6.522 1.00 0.00 C ATOM 1300 CD ARG B 41 9.898 -8.726 6.303 1.00 0.00 C ATOM 1301 NE ARG B 41 10.829 -9.214 7.314 1.00 0.00 N ATOM 1302 CZ ARG B 41 12.099 -8.820 7.324 1.00 0.00 C ATOM 1303 NH1 ARG B 41 12.530 -7.984 6.420 1.00 0.00 N ATOM 1304 NH2 ARG B 41 12.913 -9.267 8.240 1.00 0.00 N ATOM 0 H ARG B 41 5.897 -8.643 7.267 1.00 0.00 H new ATOM 0 HA ARG B 41 7.732 -6.823 6.134 1.00 0.00 H new ATOM 0 HB2 ARG B 41 6.743 -9.587 5.296 1.00 0.00 H new ATOM 0 HB3 ARG B 41 8.058 -8.758 4.487 1.00 0.00 H new ATOM 0 HG2 ARG B 41 8.135 -9.068 7.508 1.00 0.00 H new ATOM 0 HG3 ARG B 41 8.578 -10.429 6.497 1.00 0.00 H new ATOM 0 HD2 ARG B 41 10.264 -8.980 5.308 1.00 0.00 H new ATOM 0 HD3 ARG B 41 9.834 -7.639 6.351 1.00 0.00 H new ATOM 0 HE ARG B 41 10.501 -9.868 8.025 1.00 0.00 H new ATOM 0 HH11 ARG B 41 11.893 -7.632 5.705 1.00 0.00 H new ATOM 0 HH12 ARG B 41 13.504 -7.682 6.428 1.00 0.00 H new ATOM 0 HH21 ARG B 41 12.575 -9.919 8.948 1.00 0.00 H new ATOM 0 HH22 ARG B 41 13.887 -8.965 8.248 1.00 0.00 H new ATOM 1318 N ALA B 42 4.944 -7.332 4.458 1.00 0.00 N ATOM 1319 CA ALA B 42 4.136 -6.830 3.353 1.00 0.00 C ATOM 1320 C ALA B 42 3.948 -5.321 3.475 1.00 0.00 C ATOM 1321 O ALA B 42 3.979 -4.599 2.478 1.00 0.00 O ATOM 1322 CB ALA B 42 2.769 -7.519 3.349 1.00 0.00 C ATOM 0 H ALA B 42 4.478 -8.022 5.047 1.00 0.00 H new ATOM 0 HA ALA B 42 4.653 -7.048 2.418 1.00 0.00 H new ATOM 0 HB1 ALA B 42 2.172 -7.138 2.520 1.00 0.00 H new ATOM 0 HB2 ALA B 42 2.904 -8.595 3.235 1.00 0.00 H new ATOM 0 HB3 ALA B 42 2.256 -7.316 4.289 1.00 0.00 H new ATOM 1328 N ALA B 43 3.757 -4.852 4.703 1.00 0.00 N ATOM 1329 CA ALA B 43 3.568 -3.427 4.947 1.00 0.00 C ATOM 1330 C ALA B 43 4.795 -2.646 4.486 1.00 0.00 C ATOM 1331 O ALA B 43 4.676 -1.562 3.918 1.00 0.00 O ATOM 1332 CB ALA B 43 3.339 -3.178 6.443 1.00 0.00 C ATOM 0 H ALA B 43 3.729 -5.434 5.540 1.00 0.00 H new ATOM 0 HA ALA B 43 2.697 -3.090 4.385 1.00 0.00 H new ATOM 0 HB1 ALA B 43 3.199 -2.111 6.617 1.00 0.00 H new ATOM 0 HB2 ALA B 43 2.451 -3.719 6.770 1.00 0.00 H new ATOM 0 HB3 ALA B 43 4.204 -3.527 7.007 1.00 0.00 H new ATOM 1338 N VAL B 44 5.972 -3.205 4.742 1.00 0.00 N ATOM 1339 CA VAL B 44 7.220 -2.555 4.361 1.00 0.00 C ATOM 1340 C VAL B 44 7.318 -2.378 2.846 1.00 0.00 C ATOM 1341 O VAL B 44 7.727 -1.321 2.366 1.00 0.00 O ATOM 1342 CB VAL B 44 8.407 -3.383 4.856 1.00 0.00 C ATOM 1343 CG1 VAL B 44 9.702 -2.823 4.266 1.00 0.00 C ATOM 1344 CG2 VAL B 44 8.470 -3.317 6.383 1.00 0.00 C ATOM 0 H VAL B 44 6.088 -4.104 5.210 1.00 0.00 H new ATOM 0 HA VAL B 44 7.238 -1.567 4.821 1.00 0.00 H new ATOM 0 HB VAL B 44 8.285 -4.419 4.541 1.00 0.00 H new ATOM 0 HG11 VAL B 44 10.548 -3.413 4.619 1.00 0.00 H new ATOM 0 HG12 VAL B 44 9.656 -2.869 3.178 1.00 0.00 H new ATOM 0 HG13 VAL B 44 9.827 -1.787 4.580 1.00 0.00 H new ATOM 0 HG21 VAL B 44 9.315 -3.906 6.738 1.00 0.00 H new ATOM 0 HG22 VAL B 44 8.593 -2.281 6.698 1.00 0.00 H new ATOM 0 HG23 VAL B 44 7.547 -3.717 6.803 1.00 0.00 H new ATOM 1354 N ALA B 45 6.959 -3.417 2.097 1.00 0.00 N ATOM 1355 CA ALA B 45 7.036 -3.349 0.639 1.00 0.00 C ATOM 1356 C ALA B 45 6.150 -2.236 0.090 1.00 0.00 C ATOM 1357 O ALA B 45 6.575 -1.463 -0.765 1.00 0.00 O ATOM 1358 CB ALA B 45 6.603 -4.687 0.037 1.00 0.00 C ATOM 0 H ALA B 45 6.617 -4.304 2.467 1.00 0.00 H new ATOM 0 HA ALA B 45 8.069 -3.134 0.364 1.00 0.00 H new ATOM 0 HB1 ALA B 45 6.662 -4.633 -1.050 1.00 0.00 H new ATOM 0 HB2 ALA B 45 7.261 -5.478 0.397 1.00 0.00 H new ATOM 0 HB3 ALA B 45 5.577 -4.905 0.335 1.00 0.00 H new ATOM 1364 N ILE B 46 4.923 -2.153 0.587 1.00 0.00 N ATOM 1365 CA ILE B 46 4.002 -1.119 0.130 1.00 0.00 C ATOM 1366 C ILE B 46 4.502 0.270 0.516 1.00 0.00 C ATOM 1367 O ILE B 46 4.475 1.199 -0.290 1.00 0.00 O ATOM 1368 CB ILE B 46 2.617 -1.361 0.725 1.00 0.00 C ATOM 1369 CG1 ILE B 46 2.026 -2.628 0.104 1.00 0.00 C ATOM 1370 CG2 ILE B 46 1.714 -0.168 0.414 1.00 0.00 C ATOM 1371 CD1 ILE B 46 0.786 -3.049 0.887 1.00 0.00 C ATOM 0 H ILE B 46 4.545 -2.780 1.297 1.00 0.00 H new ATOM 0 HA ILE B 46 3.943 -1.168 -0.957 1.00 0.00 H new ATOM 0 HB ILE B 46 2.693 -1.481 1.806 1.00 0.00 H new ATOM 0 HG12 ILE B 46 1.766 -2.447 -0.939 1.00 0.00 H new ATOM 0 HG13 ILE B 46 2.765 -3.429 0.114 1.00 0.00 H new ATOM 0 HG21 ILE B 46 0.725 -0.340 0.838 1.00 0.00 H new ATOM 0 HG22 ILE B 46 2.143 0.736 0.847 1.00 0.00 H new ATOM 0 HG23 ILE B 46 1.629 -0.048 -0.666 1.00 0.00 H new ATOM 0 HD11 ILE B 46 0.365 -3.952 0.444 1.00 0.00 H new ATOM 0 HD12 ILE B 46 1.060 -3.247 1.923 1.00 0.00 H new ATOM 0 HD13 ILE B 46 0.046 -2.250 0.854 1.00 0.00 H new ATOM 1383 N GLN B 47 4.948 0.401 1.760 1.00 0.00 N ATOM 1384 CA GLN B 47 5.447 1.677 2.263 1.00 0.00 C ATOM 1385 C GLN B 47 6.685 2.130 1.497 1.00 0.00 C ATOM 1386 O GLN B 47 6.829 3.310 1.180 1.00 0.00 O ATOM 1387 CB GLN B 47 5.790 1.532 3.742 1.00 0.00 C ATOM 1388 CG GLN B 47 4.504 1.386 4.552 1.00 0.00 C ATOM 1389 CD GLN B 47 4.848 0.984 5.978 1.00 0.00 C ATOM 1390 OE1 GLN B 47 5.819 0.261 6.195 1.00 0.00 O ATOM 1391 NE2 GLN B 47 4.116 1.420 6.967 1.00 0.00 N ATOM 0 H GLN B 47 4.975 -0.360 2.439 1.00 0.00 H new ATOM 0 HA GLN B 47 4.670 2.429 2.126 1.00 0.00 H new ATOM 0 HB2 GLN B 47 6.429 0.662 3.894 1.00 0.00 H new ATOM 0 HB3 GLN B 47 6.350 2.403 4.083 1.00 0.00 H new ATOM 0 HG2 GLN B 47 3.952 2.326 4.551 1.00 0.00 H new ATOM 0 HG3 GLN B 47 3.858 0.636 4.097 1.00 0.00 H new ATOM 0 HE21 GLN B 47 3.312 2.019 6.781 1.00 0.00 H new ATOM 0 HE22 GLN B 47 4.348 1.161 7.926 1.00 0.00 H new ATOM 1400 N SER B 48 7.575 1.190 1.202 1.00 0.00 N ATOM 1401 CA SER B 48 8.792 1.522 0.473 1.00 0.00 C ATOM 1402 C SER B 48 8.442 2.065 -0.905 1.00 0.00 C ATOM 1403 O SER B 48 9.035 3.039 -1.371 1.00 0.00 O ATOM 1404 CB SER B 48 9.671 0.279 0.327 1.00 0.00 C ATOM 1405 OG SER B 48 10.125 -0.128 1.611 1.00 0.00 O ATOM 0 H SER B 48 7.479 0.206 1.452 1.00 0.00 H new ATOM 0 HA SER B 48 9.338 2.283 1.030 1.00 0.00 H new ATOM 0 HB2 SER B 48 9.107 -0.526 -0.144 1.00 0.00 H new ATOM 0 HB3 SER B 48 10.521 0.494 -0.321 1.00 0.00 H new ATOM 0 HG SER B 48 9.402 -0.593 2.081 1.00 0.00 H new ATOM 1411 N GLN B 49 7.469 1.432 -1.547 1.00 0.00 N ATOM 1412 CA GLN B 49 7.034 1.858 -2.869 1.00 0.00 C ATOM 1413 C GLN B 49 6.389 3.239 -2.805 1.00 0.00 C ATOM 1414 O GLN B 49 6.597 4.069 -3.690 1.00 0.00 O ATOM 1415 CB GLN B 49 6.050 0.843 -3.443 1.00 0.00 C ATOM 1416 CG GLN B 49 6.787 -0.466 -3.730 1.00 0.00 C ATOM 1417 CD GLN B 49 7.740 -0.284 -4.907 1.00 0.00 C ATOM 1418 OE1 GLN B 49 7.551 0.615 -5.725 1.00 0.00 O ATOM 1419 NE2 GLN B 49 8.758 -1.089 -5.041 1.00 0.00 N ATOM 0 H GLN B 49 6.968 0.625 -1.175 1.00 0.00 H new ATOM 0 HA GLN B 49 7.906 1.918 -3.520 1.00 0.00 H new ATOM 0 HB2 GLN B 49 5.236 0.669 -2.739 1.00 0.00 H new ATOM 0 HB3 GLN B 49 5.602 1.230 -4.358 1.00 0.00 H new ATOM 0 HG2 GLN B 49 7.343 -0.780 -2.847 1.00 0.00 H new ATOM 0 HG3 GLN B 49 6.069 -1.255 -3.952 1.00 0.00 H new ATOM 0 HE21 GLN B 49 8.912 -1.834 -4.361 1.00 0.00 H new ATOM 0 HE22 GLN B 49 9.400 -0.974 -5.826 1.00 0.00 H new ATOM 1428 N PHE B 50 5.611 3.483 -1.754 1.00 0.00 N ATOM 1429 CA PHE B 50 4.953 4.776 -1.599 1.00 0.00 C ATOM 1430 C PHE B 50 5.988 5.894 -1.530 1.00 0.00 C ATOM 1431 O PHE B 50 5.874 6.900 -2.227 1.00 0.00 O ATOM 1432 CB PHE B 50 4.069 4.790 -0.344 1.00 0.00 C ATOM 1433 CG PHE B 50 3.523 6.185 -0.126 1.00 0.00 C ATOM 1434 CD1 PHE B 50 2.737 6.793 -1.116 1.00 0.00 C ATOM 1435 CD2 PHE B 50 3.803 6.876 1.065 1.00 0.00 C ATOM 1436 CE1 PHE B 50 2.239 8.087 -0.920 1.00 0.00 C ATOM 1437 CE2 PHE B 50 3.300 8.170 1.259 1.00 0.00 C ATOM 1438 CZ PHE B 50 2.521 8.774 0.267 1.00 0.00 C ATOM 0 H PHE B 50 5.423 2.814 -1.008 1.00 0.00 H new ATOM 0 HA PHE B 50 4.317 4.941 -2.468 1.00 0.00 H new ATOM 0 HB2 PHE B 50 3.249 4.081 -0.456 1.00 0.00 H new ATOM 0 HB3 PHE B 50 4.647 4.475 0.524 1.00 0.00 H new ATOM 0 HD1 PHE B 50 2.516 6.263 -2.030 1.00 0.00 H new ATOM 0 HD2 PHE B 50 4.406 6.410 1.831 1.00 0.00 H new ATOM 0 HE1 PHE B 50 1.637 8.555 -1.685 1.00 0.00 H new ATOM 0 HE2 PHE B 50 3.514 8.701 2.175 1.00 0.00 H new ATOM 0 HZ PHE B 50 2.136 9.772 0.417 1.00 0.00 H new ATOM 1448 N ARG B 51 7.005 5.708 -0.699 1.00 0.00 N ATOM 1449 CA ARG B 51 8.057 6.708 -0.572 1.00 0.00 C ATOM 1450 C ARG B 51 8.761 6.891 -1.914 1.00 0.00 C ATOM 1451 O ARG B 51 9.071 8.011 -2.321 1.00 0.00 O ATOM 1452 CB ARG B 51 9.070 6.270 0.488 1.00 0.00 C ATOM 1453 CG ARG B 51 10.144 7.348 0.643 1.00 0.00 C ATOM 1454 CD ARG B 51 11.067 6.988 1.807 1.00 0.00 C ATOM 1455 NE ARG B 51 10.336 7.053 3.068 1.00 0.00 N ATOM 1456 CZ ARG B 51 10.915 6.713 4.215 1.00 0.00 C ATOM 1457 NH1 ARG B 51 12.158 6.318 4.227 1.00 0.00 N ATOM 1458 NH2 ARG B 51 10.239 6.776 5.330 1.00 0.00 N ATOM 0 H ARG B 51 7.124 4.884 -0.109 1.00 0.00 H new ATOM 0 HA ARG B 51 7.611 7.655 -0.268 1.00 0.00 H new ATOM 0 HB2 ARG B 51 8.567 6.103 1.440 1.00 0.00 H new ATOM 0 HB3 ARG B 51 9.528 5.324 0.200 1.00 0.00 H new ATOM 0 HG2 ARG B 51 10.721 7.436 -0.278 1.00 0.00 H new ATOM 0 HG3 ARG B 51 9.678 8.317 0.821 1.00 0.00 H new ATOM 0 HD2 ARG B 51 11.471 5.986 1.664 1.00 0.00 H new ATOM 0 HD3 ARG B 51 11.915 7.673 1.834 1.00 0.00 H new ATOM 0 HE ARG B 51 9.365 7.364 3.069 1.00 0.00 H new ATOM 0 HH11 ARG B 51 12.686 6.270 3.356 1.00 0.00 H new ATOM 0 HH12 ARG B 51 12.602 6.057 5.108 1.00 0.00 H new ATOM 0 HH21 ARG B 51 9.267 7.086 5.320 1.00 0.00 H new ATOM 0 HH22 ARG B 51 10.683 6.515 6.211 1.00 0.00 H new ATOM 1472 N LYS B 52 9.002 5.775 -2.594 1.00 0.00 N ATOM 1473 CA LYS B 52 9.664 5.793 -3.895 1.00 0.00 C ATOM 1474 C LYS B 52 8.840 6.597 -4.901 1.00 0.00 C ATOM 1475 O LYS B 52 9.388 7.314 -5.738 1.00 0.00 O ATOM 1476 CB LYS B 52 9.846 4.355 -4.401 1.00 0.00 C ATOM 1477 CG LYS B 52 10.598 4.336 -5.742 1.00 0.00 C ATOM 1478 CD LYS B 52 12.028 4.856 -5.554 1.00 0.00 C ATOM 1479 CE LYS B 52 12.916 4.338 -6.688 1.00 0.00 C ATOM 1480 NZ LYS B 52 12.409 4.855 -7.990 1.00 0.00 N ATOM 0 H LYS B 52 8.748 4.843 -2.265 1.00 0.00 H new ATOM 0 HA LYS B 52 10.640 6.266 -3.787 1.00 0.00 H new ATOM 0 HB2 LYS B 52 10.397 3.772 -3.662 1.00 0.00 H new ATOM 0 HB3 LYS B 52 8.872 3.881 -4.519 1.00 0.00 H new ATOM 0 HG2 LYS B 52 10.621 3.321 -6.140 1.00 0.00 H new ATOM 0 HG3 LYS B 52 10.072 4.952 -6.471 1.00 0.00 H new ATOM 0 HD2 LYS B 52 12.031 5.946 -5.545 1.00 0.00 H new ATOM 0 HD3 LYS B 52 12.421 4.528 -4.592 1.00 0.00 H new ATOM 0 HE2 LYS B 52 13.946 4.659 -6.533 1.00 0.00 H new ATOM 0 HE3 LYS B 52 12.919 3.248 -6.693 1.00 0.00 H new ATOM 0 HZ1 LYS B 52 13.129 4.709 -8.726 1.00 0.00 H new ATOM 0 HZ2 LYS B 52 11.540 4.347 -8.250 1.00 0.00 H new ATOM 0 HZ3 LYS B 52 12.204 5.871 -7.904 1.00 0.00 H new ATOM 1494 N PHE B 53 7.521 6.457 -4.817 1.00 0.00 N ATOM 1495 CA PHE B 53 6.618 7.155 -5.727 1.00 0.00 C ATOM 1496 C PHE B 53 6.856 8.662 -5.667 1.00 0.00 C ATOM 1497 O PHE B 53 6.929 9.328 -6.699 1.00 0.00 O ATOM 1498 CB PHE B 53 5.168 6.860 -5.337 1.00 0.00 C ATOM 1499 CG PHE B 53 4.224 7.508 -6.319 1.00 0.00 C ATOM 1500 CD1 PHE B 53 3.836 8.842 -6.142 1.00 0.00 C ATOM 1501 CD2 PHE B 53 3.718 6.770 -7.397 1.00 0.00 C ATOM 1502 CE1 PHE B 53 2.945 9.438 -7.043 1.00 0.00 C ATOM 1503 CE2 PHE B 53 2.828 7.366 -8.298 1.00 0.00 C ATOM 1504 CZ PHE B 53 2.441 8.699 -8.120 1.00 0.00 C ATOM 0 H PHE B 53 7.053 5.867 -4.129 1.00 0.00 H new ATOM 0 HA PHE B 53 6.809 6.806 -6.742 1.00 0.00 H new ATOM 0 HB2 PHE B 53 5.001 5.783 -5.317 1.00 0.00 H new ATOM 0 HB3 PHE B 53 4.971 7.232 -4.332 1.00 0.00 H new ATOM 0 HD1 PHE B 53 4.224 9.411 -5.310 1.00 0.00 H new ATOM 0 HD2 PHE B 53 4.015 5.741 -7.533 1.00 0.00 H new ATOM 0 HE1 PHE B 53 2.647 10.467 -6.907 1.00 0.00 H new ATOM 0 HE2 PHE B 53 2.440 6.797 -9.130 1.00 0.00 H new ATOM 0 HZ PHE B 53 1.753 9.158 -8.814 1.00 0.00 H new ATOM 1514 N GLN B 54 6.968 9.194 -4.454 1.00 0.00 N ATOM 1515 CA GLN B 54 7.187 10.627 -4.280 1.00 0.00 C ATOM 1516 C GLN B 54 8.506 11.049 -4.924 1.00 0.00 C ATOM 1517 O GLN B 54 8.589 12.106 -5.549 1.00 0.00 O ATOM 1518 CB GLN B 54 7.218 10.971 -2.786 1.00 0.00 C ATOM 1519 CG GLN B 54 5.827 10.778 -2.170 1.00 0.00 C ATOM 1520 CD GLN B 54 4.825 11.742 -2.798 1.00 0.00 C ATOM 1521 OE1 GLN B 54 3.696 11.283 -3.264 1.00 0.00 O flip ATOM 1522 NE2 GLN B 54 5.079 12.945 -2.868 1.00 0.00 N flip ATOM 0 H GLN B 54 6.912 8.662 -3.585 1.00 0.00 H new ATOM 0 HA GLN B 54 6.370 11.163 -4.763 1.00 0.00 H new ATOM 0 HB2 GLN B 54 7.942 10.337 -2.274 1.00 0.00 H new ATOM 0 HB3 GLN B 54 7.545 12.002 -2.649 1.00 0.00 H new ATOM 0 HG2 GLN B 54 5.496 9.751 -2.321 1.00 0.00 H new ATOM 0 HG3 GLN B 54 5.874 10.943 -1.094 1.00 0.00 H new ATOM 0 HE21 GLN B 54 5.962 13.302 -2.503 1.00 0.00 H new ATOM 0 HE22 GLN B 54 4.406 13.585 -3.291 1.00 0.00 H new ATOM 1531 N LYS B 55 9.533 10.218 -4.774 1.00 0.00 N ATOM 1532 CA LYS B 55 10.838 10.524 -5.354 1.00 0.00 C ATOM 1533 C LYS B 55 10.747 10.599 -6.874 1.00 0.00 C ATOM 1534 O LYS B 55 11.374 11.453 -7.501 1.00 0.00 O ATOM 1535 CB LYS B 55 11.860 9.457 -4.953 1.00 0.00 C ATOM 1536 CG LYS B 55 12.179 9.588 -3.463 1.00 0.00 C ATOM 1537 CD LYS B 55 13.209 8.529 -3.066 1.00 0.00 C ATOM 1538 CE LYS B 55 13.527 8.658 -1.575 1.00 0.00 C ATOM 1539 NZ LYS B 55 14.146 9.988 -1.313 1.00 0.00 N ATOM 0 H LYS B 55 9.489 9.337 -4.262 1.00 0.00 H new ATOM 0 HA LYS B 55 11.161 11.493 -4.972 1.00 0.00 H new ATOM 0 HB2 LYS B 55 11.466 8.463 -5.165 1.00 0.00 H new ATOM 0 HB3 LYS B 55 12.770 9.571 -5.542 1.00 0.00 H new ATOM 0 HG2 LYS B 55 12.566 10.584 -3.249 1.00 0.00 H new ATOM 0 HG3 LYS B 55 11.270 9.466 -2.874 1.00 0.00 H new ATOM 0 HD2 LYS B 55 12.823 7.533 -3.281 1.00 0.00 H new ATOM 0 HD3 LYS B 55 14.118 8.653 -3.654 1.00 0.00 H new ATOM 0 HE2 LYS B 55 12.616 8.547 -0.987 1.00 0.00 H new ATOM 0 HE3 LYS B 55 14.205 7.862 -1.267 1.00 0.00 H new ATOM 0 HZ1 LYS B 55 14.662 9.959 -0.411 1.00 0.00 H new ATOM 0 HZ2 LYS B 55 14.806 10.221 -2.082 1.00 0.00 H new ATOM 0 HZ3 LYS B 55 13.402 10.713 -1.263 1.00 0.00 H new