USER MOD reduce.3.24.130724 H: found=0, std=0, add=1015, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 1017 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 90 THR OG1 : rot -170:sc= -1.5! USER MOD Set 1.2: A 93 ASN : amide:sc= -6.24! C(o=-7.7!,f=-9.9!) USER MOD Single : A 14 GLN :FLIP amide:sc= -2.43 F(o=-4.9!,f=-2.4) USER MOD Single : A 15 THR OG1 : rot 64:sc= 0.625 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 MET CE :methyl -106:sc= -2.78 (180deg=-8.3!) USER MOD Single : A 39 LYS NZ :NH3+ 152:sc= 0.075 (180deg=-0.0233) USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 GLN : amide:sc= -0.284 X(o=-0.28,f=0) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 58 LYS NZ :NH3+ 158:sc= 1.14 (180deg=0.499) USER MOD Single : A 63 MET CE :methyl -158:sc= -10.3! (180deg=-11.4!) USER MOD Single : A 66 THR OG1 : rot -14:sc= 0.379! USER MOD Single : A 68 HIS : no HE2:sc= -0.383 X(o=-0.38,f=-0.44) USER MOD Single : A 72 HIS : no HD1:sc= -0.366 X(o=-0.37,f=-0.11) USER MOD Single : A 73 SER OG : rot 30:sc= 0.00245 USER MOD Single : A 85 TYR OH : rot -20:sc= -0.293 USER MOD Single : A 88 MET CE :methyl 170:sc= -6.53! (180deg=-7.08!) USER MOD Single : A 98 CYS SG : rot 180:sc= -0.0706 USER MOD Single : A 99 GLN : amide:sc= -1.69 X(o=-1.7,f=-1.4) USER MOD Single : A 103 ASN : amide:sc= -2.4 X(o=-2.4,f=-2.4) USER MOD Single : A 104 GLN : amide:sc= -0.422 X(o=-0.42,f=-0.098) USER MOD Single : A 106 TYR OH : rot -100:sc= -0.247 USER MOD Single : A 108 SER OG : rot 180:sc= -1.05 USER MOD Single : A 109 TYR OH : rot 124:sc= 0.207 USER MOD Single : A 110 TYR OH : rot 180:sc= 0 USER MOD Single : A 112 ASN :FLIP amide:sc= -1.67! C(o=-2.8!,f=-1.7!) USER MOD Single : A 115 SER OG : rot 180:sc= 0 USER MOD Single : A 118 SER OG : rot 180:sc= -0.0185 USER MOD Single : A 120 SER OG : rot 180:sc= 0 USER MOD Single : A 121 LYS NZ :NH3+ -159:sc= -0.0218 (180deg=-0.286) USER MOD Single : A 127 ASN : amide:sc= -3.89! C(o=-3.9!,f=-3.8!) USER MOD Single : A 133 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 136 THR OG1 : rot 180:sc= 0 USER MOD Single : A 137 GLN : amide:sc= -2.68 K(o=-2.7,f=-9.3!) USER MOD Single : A 140 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 144 GLN :FLIP amide:sc= -1.72! F(o=-2.3,f=-1.7!) USER MOD Single : A 145 TYR OH : rot 150:sc= -1.07 USER MOD Single : A 147 ASN : amide:sc= -0.18 K(o=-0.18,f=-2.2!) USER MOD ----------------------------------------------------------------- ATOM 22 N ILE A 10 -10.650 -3.020 -18.129 1.00 0.00 N ATOM 23 CA ILE A 10 -9.446 -2.360 -17.647 1.00 0.00 C ATOM 24 C ILE A 10 -9.627 -1.873 -16.214 1.00 0.00 C ATOM 25 O ILE A 10 -8.917 -2.305 -15.306 1.00 0.00 O ATOM 26 CB ILE A 10 -9.072 -1.162 -18.540 1.00 0.00 C ATOM 27 CG1 ILE A 10 -9.024 -1.581 -20.013 1.00 0.00 C ATOM 28 CG2 ILE A 10 -7.739 -0.575 -18.106 1.00 0.00 C ATOM 29 CD1 ILE A 10 -8.214 -2.834 -20.265 1.00 0.00 C ATOM 0 HA ILE A 10 -8.642 -3.096 -17.680 1.00 0.00 H new ATOM 0 HB ILE A 10 -9.839 -0.396 -18.429 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -10.042 -1.740 -20.369 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -8.604 -0.764 -20.600 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -7.488 0.271 -18.746 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -7.809 -0.239 -17.072 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -6.962 -1.335 -18.188 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -8.227 -3.067 -21.330 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -7.186 -2.674 -19.941 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -8.645 -3.665 -19.706 1.00 0.00 H new ATOM 41 N ARG A 11 -10.586 -0.973 -16.017 1.00 0.00 N ATOM 42 CA ARG A 11 -10.867 -0.427 -14.692 1.00 0.00 C ATOM 43 C ARG A 11 -11.061 -1.549 -13.676 1.00 0.00 C ATOM 44 O ARG A 11 -10.807 -1.377 -12.482 1.00 0.00 O ATOM 45 CB ARG A 11 -12.115 0.459 -14.740 1.00 0.00 C ATOM 46 CG ARG A 11 -12.502 1.040 -13.390 1.00 0.00 C ATOM 47 CD ARG A 11 -11.601 2.203 -13.006 1.00 0.00 C ATOM 48 NE ARG A 11 -12.335 3.257 -12.309 1.00 0.00 N ATOM 49 CZ ARG A 11 -13.264 4.017 -12.884 1.00 0.00 C ATOM 50 NH1 ARG A 11 -13.576 3.845 -14.162 1.00 0.00 N ATOM 51 NH2 ARG A 11 -13.884 4.952 -12.177 1.00 0.00 N ATOM 0 H ARG A 11 -11.182 -0.606 -16.759 1.00 0.00 H new ATOM 0 HA ARG A 11 -10.014 0.177 -14.382 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -11.944 1.275 -15.442 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -12.950 -0.125 -15.128 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -13.539 1.376 -13.421 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -12.441 0.264 -12.627 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -10.794 1.841 -12.369 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -11.139 2.615 -13.903 1.00 0.00 H new ATOM 0 HE ARG A 11 -12.123 3.420 -11.325 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -13.103 3.127 -14.710 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -14.289 4.431 -14.596 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -13.649 5.088 -11.194 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -14.596 5.535 -12.616 1.00 0.00 H new ATOM 65 N GLU A 12 -11.506 -2.703 -14.161 1.00 0.00 N ATOM 66 CA GLU A 12 -11.728 -3.856 -13.300 1.00 0.00 C ATOM 67 C GLU A 12 -10.416 -4.317 -12.678 1.00 0.00 C ATOM 68 O GLU A 12 -10.307 -4.444 -11.459 1.00 0.00 O ATOM 69 CB GLU A 12 -12.364 -4.999 -14.093 1.00 0.00 C ATOM 70 CG GLU A 12 -13.854 -4.822 -14.326 1.00 0.00 C ATOM 71 CD GLU A 12 -14.643 -6.088 -14.052 1.00 0.00 C ATOM 72 OE1 GLU A 12 -14.215 -6.876 -13.182 1.00 0.00 O ATOM 73 OE2 GLU A 12 -15.686 -6.292 -14.707 1.00 0.00 O ATOM 0 H GLU A 12 -11.720 -2.864 -15.145 1.00 0.00 H new ATOM 0 HA GLU A 12 -12.409 -3.562 -12.501 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -11.862 -5.085 -15.057 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -12.197 -5.936 -13.562 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -14.225 -4.022 -13.686 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -14.022 -4.510 -15.357 1.00 0.00 H new ATOM 80 N ARG A 13 -9.418 -4.557 -13.526 1.00 0.00 N ATOM 81 CA ARG A 13 -8.106 -4.998 -13.061 1.00 0.00 C ATOM 82 C ARG A 13 -7.565 -4.055 -11.993 1.00 0.00 C ATOM 83 O ARG A 13 -6.937 -4.489 -11.026 1.00 0.00 O ATOM 84 CB ARG A 13 -7.128 -5.080 -14.233 1.00 0.00 C ATOM 85 CG ARG A 13 -7.623 -5.949 -15.377 1.00 0.00 C ATOM 86 CD ARG A 13 -6.476 -6.425 -16.253 1.00 0.00 C ATOM 87 NE ARG A 13 -6.880 -7.521 -17.132 1.00 0.00 N ATOM 88 CZ ARG A 13 -6.303 -7.789 -18.302 1.00 0.00 C ATOM 89 NH1 ARG A 13 -5.289 -7.050 -18.738 1.00 0.00 N ATOM 90 NH2 ARG A 13 -6.738 -8.803 -19.037 1.00 0.00 N ATOM 0 H ARG A 13 -9.493 -4.453 -14.538 1.00 0.00 H new ATOM 0 HA ARG A 13 -8.216 -5.989 -12.622 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -6.937 -4.074 -14.608 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -6.176 -5.472 -13.875 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -8.157 -6.810 -14.976 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -8.334 -5.386 -15.981 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -6.109 -5.593 -16.855 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -5.649 -6.751 -15.623 1.00 0.00 H new ATOM 0 HE ARG A 13 -7.651 -8.117 -16.831 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -4.947 -6.271 -18.176 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -4.852 -7.262 -19.635 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -7.514 -9.377 -18.706 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -6.297 -9.009 -19.933 1.00 0.00 H new ATOM 104 N GLN A 14 -7.820 -2.762 -12.172 1.00 0.00 N ATOM 105 CA GLN A 14 -7.366 -1.755 -11.219 1.00 0.00 C ATOM 106 C GLN A 14 -7.820 -2.109 -9.808 1.00 0.00 C ATOM 107 O GLN A 14 -7.032 -2.087 -8.864 1.00 0.00 O ATOM 108 CB GLN A 14 -7.910 -0.378 -11.601 1.00 0.00 C ATOM 109 CG GLN A 14 -7.423 0.121 -12.950 1.00 0.00 C ATOM 110 CD GLN A 14 -7.201 1.620 -12.964 1.00 0.00 C ATOM 111 OE1 GLN A 14 -6.215 2.077 -12.199 1.00 0.00 O flip ATOM 112 NE2 GLN A 14 -7.906 2.358 -13.651 1.00 0.00 N flip ATOM 0 H GLN A 14 -8.338 -2.388 -12.967 1.00 0.00 H new ATOM 0 HA GLN A 14 -6.277 -1.730 -11.245 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -8.999 -0.418 -11.611 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -7.624 0.341 -10.833 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -6.492 -0.384 -13.207 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -8.151 -0.143 -13.717 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -8.652 1.963 -14.223 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -7.744 3.365 -13.648 1.00 0.00 H new ATOM 121 N THR A 15 -9.103 -2.432 -9.677 1.00 0.00 N ATOM 122 CA THR A 15 -9.675 -2.788 -8.385 1.00 0.00 C ATOM 123 C THR A 15 -9.168 -4.147 -7.904 1.00 0.00 C ATOM 124 O THR A 15 -9.119 -4.404 -6.703 1.00 0.00 O ATOM 125 CB THR A 15 -11.202 -2.800 -8.465 1.00 0.00 C ATOM 126 OG1 THR A 15 -11.642 -2.532 -9.785 1.00 0.00 O ATOM 127 CG2 THR A 15 -11.852 -1.787 -7.549 1.00 0.00 C ATOM 0 H THR A 15 -9.766 -2.454 -10.452 1.00 0.00 H new ATOM 0 HA THR A 15 -9.358 -2.034 -7.664 1.00 0.00 H new ATOM 0 HB THR A 15 -11.500 -3.800 -8.149 1.00 0.00 H new ATOM 0 HG1 THR A 15 -11.344 -3.250 -10.381 1.00 0.00 H new ATOM 0 HG21 THR A 15 -12.936 -1.845 -7.652 1.00 0.00 H new ATOM 0 HG22 THR A 15 -11.574 -1.999 -6.517 1.00 0.00 H new ATOM 0 HG23 THR A 15 -11.515 -0.785 -7.817 1.00 0.00 H new ATOM 135 N VAL A 16 -8.794 -5.016 -8.840 1.00 0.00 N ATOM 136 CA VAL A 16 -8.298 -6.343 -8.484 1.00 0.00 C ATOM 137 C VAL A 16 -7.153 -6.245 -7.480 1.00 0.00 C ATOM 138 O VAL A 16 -7.205 -6.844 -6.406 1.00 0.00 O ATOM 139 CB VAL A 16 -7.820 -7.130 -9.723 1.00 0.00 C ATOM 140 CG1 VAL A 16 -7.273 -8.491 -9.317 1.00 0.00 C ATOM 141 CG2 VAL A 16 -8.954 -7.289 -10.723 1.00 0.00 C ATOM 0 H VAL A 16 -8.824 -4.828 -9.842 1.00 0.00 H new ATOM 0 HA VAL A 16 -9.133 -6.880 -8.034 1.00 0.00 H new ATOM 0 HB VAL A 16 -7.017 -6.566 -10.198 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -6.942 -9.030 -10.205 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -6.431 -8.357 -8.638 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -8.055 -9.063 -8.817 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -8.599 -7.846 -11.590 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -9.777 -7.830 -10.256 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -9.300 -6.305 -11.041 1.00 0.00 H new ATOM 151 N ALA A 17 -6.123 -5.481 -7.831 1.00 0.00 N ATOM 152 CA ALA A 17 -4.976 -5.306 -6.950 1.00 0.00 C ATOM 153 C ALA A 17 -5.374 -4.532 -5.697 1.00 0.00 C ATOM 154 O ALA A 17 -4.913 -4.829 -4.593 1.00 0.00 O ATOM 155 CB ALA A 17 -3.852 -4.588 -7.685 1.00 0.00 C ATOM 0 H ALA A 17 -6.060 -4.976 -8.715 1.00 0.00 H new ATOM 0 HA ALA A 17 -4.621 -6.290 -6.645 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -3.001 -4.463 -7.016 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -3.549 -5.177 -8.551 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -4.200 -3.609 -8.015 1.00 0.00 H new ATOM 161 N LEU A 18 -6.236 -3.538 -5.882 1.00 0.00 N ATOM 162 CA LEU A 18 -6.707 -2.711 -4.778 1.00 0.00 C ATOM 163 C LEU A 18 -7.507 -3.536 -3.775 1.00 0.00 C ATOM 164 O LEU A 18 -7.089 -3.719 -2.632 1.00 0.00 O ATOM 165 CB LEU A 18 -7.573 -1.573 -5.313 1.00 0.00 C ATOM 166 CG LEU A 18 -6.809 -0.454 -6.018 1.00 0.00 C ATOM 167 CD1 LEU A 18 -7.749 0.369 -6.889 1.00 0.00 C ATOM 168 CD2 LEU A 18 -6.104 0.428 -4.998 1.00 0.00 C ATOM 0 H LEU A 18 -6.624 -3.285 -6.791 1.00 0.00 H new ATOM 0 HA LEU A 18 -5.836 -2.300 -4.268 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -8.302 -1.988 -6.009 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -8.133 -1.142 -4.483 1.00 0.00 H new ATOM 0 HG LEU A 18 -6.054 -0.901 -6.664 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -7.187 1.161 -7.383 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -8.206 -0.275 -7.641 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -8.528 0.810 -6.267 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -5.564 1.221 -5.515 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -6.841 0.869 -4.327 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -5.402 -0.173 -4.421 1.00 0.00 H new ATOM 180 N LYS A 19 -8.665 -4.023 -4.213 1.00 0.00 N ATOM 181 CA LYS A 19 -9.539 -4.824 -3.361 1.00 0.00 C ATOM 182 C LYS A 19 -8.750 -5.880 -2.593 1.00 0.00 C ATOM 183 O LYS A 19 -9.095 -6.227 -1.464 1.00 0.00 O ATOM 184 CB LYS A 19 -10.623 -5.498 -4.204 1.00 0.00 C ATOM 185 CG LYS A 19 -11.815 -4.601 -4.492 1.00 0.00 C ATOM 186 CD LYS A 19 -12.943 -5.373 -5.158 1.00 0.00 C ATOM 187 CE LYS A 19 -12.861 -5.280 -6.674 1.00 0.00 C ATOM 188 NZ LYS A 19 -13.881 -6.138 -7.339 1.00 0.00 N ATOM 0 H LYS A 19 -9.021 -3.876 -5.157 1.00 0.00 H new ATOM 0 HA LYS A 19 -10.005 -4.155 -2.638 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -10.187 -5.823 -5.149 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -10.969 -6.393 -3.687 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -12.174 -4.160 -3.562 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -11.506 -3.778 -5.136 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -12.899 -6.419 -4.853 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -13.903 -4.982 -4.820 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -13.001 -4.244 -6.982 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -11.866 -5.578 -7.003 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -13.792 -6.046 -8.371 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -13.732 -7.130 -7.065 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -14.832 -5.837 -7.046 1.00 0.00 H new ATOM 202 N ARG A 20 -7.691 -6.388 -3.208 1.00 0.00 N ATOM 203 CA ARG A 20 -6.861 -7.401 -2.574 1.00 0.00 C ATOM 204 C ARG A 20 -6.276 -6.882 -1.265 1.00 0.00 C ATOM 205 O ARG A 20 -6.404 -7.517 -0.219 1.00 0.00 O ATOM 206 CB ARG A 20 -5.734 -7.833 -3.515 1.00 0.00 C ATOM 207 CG ARG A 20 -6.094 -9.025 -4.386 1.00 0.00 C ATOM 208 CD ARG A 20 -4.853 -9.737 -4.899 1.00 0.00 C ATOM 209 NE ARG A 20 -4.932 -11.184 -4.707 1.00 0.00 N ATOM 210 CZ ARG A 20 -4.186 -12.064 -5.370 1.00 0.00 C ATOM 211 NH1 ARG A 20 -3.301 -11.650 -6.270 1.00 0.00 N ATOM 212 NH2 ARG A 20 -4.322 -13.361 -5.134 1.00 0.00 N ATOM 0 H ARG A 20 -7.387 -6.116 -4.143 1.00 0.00 H new ATOM 0 HA ARG A 20 -7.490 -8.264 -2.354 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -5.465 -6.993 -4.156 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -4.852 -8.079 -2.924 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -6.705 -9.723 -3.814 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -6.698 -8.691 -5.230 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -4.722 -9.519 -5.959 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -3.974 -9.350 -4.383 1.00 0.00 H new ATOM 0 HE ARG A 20 -5.600 -11.541 -4.023 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -3.191 -10.653 -6.456 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -2.732 -12.329 -6.775 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -4.999 -13.685 -4.444 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -3.750 -14.035 -5.643 1.00 0.00 H new ATOM 226 N MET A 21 -5.632 -5.723 -1.331 1.00 0.00 N ATOM 227 CA MET A 21 -5.024 -5.123 -0.145 1.00 0.00 C ATOM 228 C MET A 21 -6.040 -4.327 0.667 1.00 0.00 C ATOM 229 O MET A 21 -5.778 -3.964 1.815 1.00 0.00 O ATOM 230 CB MET A 21 -3.854 -4.218 -0.537 1.00 0.00 C ATOM 231 CG MET A 21 -4.108 -3.385 -1.782 1.00 0.00 C ATOM 232 SD MET A 21 -2.821 -2.159 -2.068 1.00 0.00 S ATOM 233 CE MET A 21 -3.724 -0.641 -1.768 1.00 0.00 C ATOM 0 H MET A 21 -5.516 -5.181 -2.187 1.00 0.00 H new ATOM 0 HA MET A 21 -4.655 -5.939 0.476 1.00 0.00 H new ATOM 0 HB2 MET A 21 -3.630 -3.550 0.295 1.00 0.00 H new ATOM 0 HB3 MET A 21 -2.970 -4.834 -0.699 1.00 0.00 H new ATOM 0 HG2 MET A 21 -4.176 -4.044 -2.648 1.00 0.00 H new ATOM 0 HG3 MET A 21 -5.070 -2.881 -1.688 1.00 0.00 H new ATOM 0 HE1 MET A 21 -3.924 -0.143 -2.717 1.00 0.00 H new ATOM 0 HE2 MET A 21 -4.668 -0.871 -1.273 1.00 0.00 H new ATOM 0 HE3 MET A 21 -3.131 0.015 -1.131 1.00 0.00 H new ATOM 487 N TRP A 38 -7.275 -4.784 11.564 1.00 0.00 N ATOM 488 CA TRP A 38 -7.214 -3.509 10.857 1.00 0.00 C ATOM 489 C TRP A 38 -6.123 -3.539 9.792 1.00 0.00 C ATOM 490 O TRP A 38 -5.210 -4.361 9.850 1.00 0.00 O ATOM 491 CB TRP A 38 -6.952 -2.367 11.840 1.00 0.00 C ATOM 492 CG TRP A 38 -8.185 -1.891 12.546 1.00 0.00 C ATOM 493 CD1 TRP A 38 -8.534 -2.140 13.842 1.00 0.00 C ATOM 494 CD2 TRP A 38 -9.231 -1.082 11.997 1.00 0.00 C ATOM 495 NE1 TRP A 38 -9.734 -1.536 14.131 1.00 0.00 N ATOM 496 CE2 TRP A 38 -10.182 -0.881 13.015 1.00 0.00 C ATOM 497 CE3 TRP A 38 -9.457 -0.508 10.742 1.00 0.00 C ATOM 498 CZ2 TRP A 38 -11.339 -0.131 12.817 1.00 0.00 C ATOM 499 CZ3 TRP A 38 -10.605 0.236 10.547 1.00 0.00 C ATOM 500 CH2 TRP A 38 -11.532 0.420 11.579 1.00 0.00 C ATOM 0 HA TRP A 38 -8.175 -3.342 10.369 1.00 0.00 H new ATOM 0 HB2 TRP A 38 -6.223 -2.696 12.581 1.00 0.00 H new ATOM 0 HB3 TRP A 38 -6.505 -1.531 11.302 1.00 0.00 H new ATOM 0 HD1 TRP A 38 -7.952 -2.726 14.538 1.00 0.00 H new ATOM 0 HE1 TRP A 38 -10.213 -1.570 15.031 1.00 0.00 H new ATOM 0 HE3 TRP A 38 -8.747 -0.644 9.940 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 -12.057 0.011 13.611 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 -10.790 0.683 9.581 1.00 0.00 H new ATOM 0 HH2 TRP A 38 -12.418 1.009 11.395 1.00 0.00 H new ATOM 511 N LYS A 39 -6.224 -2.640 8.819 1.00 0.00 N ATOM 512 CA LYS A 39 -5.242 -2.570 7.744 1.00 0.00 C ATOM 513 C LYS A 39 -4.995 -1.125 7.320 1.00 0.00 C ATOM 514 O LYS A 39 -5.927 -0.400 6.980 1.00 0.00 O ATOM 515 CB LYS A 39 -5.710 -3.395 6.543 1.00 0.00 C ATOM 516 CG LYS A 39 -5.118 -4.795 6.503 1.00 0.00 C ATOM 517 CD LYS A 39 -5.160 -5.381 5.099 1.00 0.00 C ATOM 518 CE LYS A 39 -3.793 -5.881 4.661 1.00 0.00 C ATOM 519 NZ LYS A 39 -3.764 -6.223 3.212 1.00 0.00 N ATOM 0 H LYS A 39 -6.974 -1.952 8.753 1.00 0.00 H new ATOM 0 HA LYS A 39 -4.304 -2.983 8.117 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -6.797 -3.469 6.564 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -5.444 -2.870 5.625 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -4.087 -4.765 6.855 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -5.668 -5.443 7.185 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -5.876 -6.203 5.068 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -5.513 -4.624 4.398 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -3.044 -5.117 4.869 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -3.523 -6.760 5.247 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -2.799 -6.098 2.845 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -4.058 -7.212 3.083 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -4.414 -5.598 2.695 1.00 0.00 H new ATOM 533 N VAL A 40 -3.733 -0.714 7.342 1.00 0.00 N ATOM 534 CA VAL A 40 -3.361 0.640 6.960 1.00 0.00 C ATOM 535 C VAL A 40 -3.048 0.709 5.468 1.00 0.00 C ATOM 536 O VAL A 40 -2.802 -0.314 4.831 1.00 0.00 O ATOM 537 CB VAL A 40 -2.148 1.123 7.795 1.00 0.00 C ATOM 538 CG1 VAL A 40 -1.099 1.809 6.931 1.00 0.00 C ATOM 539 CG2 VAL A 40 -2.610 2.044 8.913 1.00 0.00 C ATOM 0 H VAL A 40 -2.948 -1.303 7.622 1.00 0.00 H new ATOM 0 HA VAL A 40 -4.204 1.300 7.163 1.00 0.00 H new ATOM 0 HB VAL A 40 -1.678 0.243 8.234 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -0.267 2.132 7.557 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -0.736 1.111 6.176 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -1.542 2.676 6.441 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -1.747 2.375 9.491 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -3.115 2.910 8.486 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -3.299 1.507 9.565 1.00 0.00 H new ATOM 549 N LEU A 41 -3.059 1.917 4.913 1.00 0.00 N ATOM 550 CA LEU A 41 -2.771 2.099 3.502 1.00 0.00 C ATOM 551 C LEU A 41 -1.979 3.388 3.269 1.00 0.00 C ATOM 552 O LEU A 41 -2.245 4.417 3.889 1.00 0.00 O ATOM 553 CB LEU A 41 -4.080 2.105 2.693 1.00 0.00 C ATOM 554 CG LEU A 41 -4.311 3.334 1.809 1.00 0.00 C ATOM 555 CD1 LEU A 41 -3.690 3.126 0.431 1.00 0.00 C ATOM 556 CD2 LEU A 41 -5.795 3.635 1.690 1.00 0.00 C ATOM 0 H LEU A 41 -3.264 2.778 5.419 1.00 0.00 H new ATOM 0 HA LEU A 41 -2.156 1.266 3.162 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -4.098 1.217 2.061 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -4.915 2.019 3.388 1.00 0.00 H new ATOM 0 HG LEU A 41 -3.826 4.191 2.277 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -3.864 4.009 -0.184 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -2.617 2.963 0.536 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -4.144 2.257 -0.045 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -5.939 4.511 1.058 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -6.305 2.780 1.246 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -6.207 3.830 2.680 1.00 0.00 H new ATOM 568 N ILE A 42 -1.021 3.317 2.354 1.00 0.00 N ATOM 569 CA ILE A 42 -0.192 4.462 2.000 1.00 0.00 C ATOM 570 C ILE A 42 -0.154 4.612 0.493 1.00 0.00 C ATOM 571 O ILE A 42 0.436 3.787 -0.202 1.00 0.00 O ATOM 572 CB ILE A 42 1.254 4.315 2.511 1.00 0.00 C ATOM 573 CG1 ILE A 42 1.295 3.774 3.942 1.00 0.00 C ATOM 574 CG2 ILE A 42 1.980 5.646 2.426 1.00 0.00 C ATOM 575 CD1 ILE A 42 0.311 4.419 4.888 1.00 0.00 C ATOM 0 H ILE A 42 -0.797 2.466 1.837 1.00 0.00 H new ATOM 0 HA ILE A 42 -0.635 5.339 2.471 1.00 0.00 H new ATOM 0 HB ILE A 42 1.761 3.592 1.871 1.00 0.00 H new ATOM 0 HG12 ILE A 42 1.104 2.701 3.916 1.00 0.00 H new ATOM 0 HG13 ILE A 42 2.301 3.909 4.338 1.00 0.00 H new ATOM 0 HG21 ILE A 42 3.001 5.528 2.790 1.00 0.00 H new ATOM 0 HG22 ILE A 42 2.001 5.983 1.390 1.00 0.00 H new ATOM 0 HG23 ILE A 42 1.460 6.384 3.037 1.00 0.00 H new ATOM 0 HD11 ILE A 42 0.412 3.973 5.877 1.00 0.00 H new ATOM 0 HD12 ILE A 42 0.513 5.488 4.950 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -0.703 4.262 4.521 1.00 0.00 H new ATOM 587 N TYR A 43 -0.795 5.654 -0.013 1.00 0.00 N ATOM 588 CA TYR A 43 -0.828 5.875 -1.450 1.00 0.00 C ATOM 589 C TYR A 43 -0.174 7.195 -1.834 1.00 0.00 C ATOM 590 O TYR A 43 0.012 8.085 -0.999 1.00 0.00 O ATOM 591 CB TYR A 43 -2.266 5.820 -1.966 1.00 0.00 C ATOM 592 CG TYR A 43 -3.182 6.820 -1.316 1.00 0.00 C ATOM 593 CD1 TYR A 43 -3.009 8.176 -1.529 1.00 0.00 C ATOM 594 CD2 TYR A 43 -4.217 6.409 -0.492 1.00 0.00 C ATOM 595 CE1 TYR A 43 -3.843 9.104 -0.936 1.00 0.00 C ATOM 596 CE2 TYR A 43 -5.060 7.326 0.106 1.00 0.00 C ATOM 597 CZ TYR A 43 -4.868 8.674 -0.120 1.00 0.00 C ATOM 598 OH TYR A 43 -5.704 9.593 0.473 1.00 0.00 O ATOM 0 H TYR A 43 -1.293 6.351 0.541 1.00 0.00 H new ATOM 0 HA TYR A 43 -0.253 5.076 -1.919 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -2.263 5.990 -3.043 1.00 0.00 H new ATOM 0 HB3 TYR A 43 -2.663 4.818 -1.803 1.00 0.00 H new ATOM 0 HD1 TYR A 43 -2.208 8.515 -2.170 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -4.367 5.354 -0.314 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -3.693 10.159 -1.110 1.00 0.00 H new ATOM 0 HE2 TYR A 43 -5.863 6.991 0.745 1.00 0.00 H new ATOM 0 HH TYR A 43 -6.373 9.125 1.015 1.00 0.00 H new ATOM 608 N ASP A 44 0.182 7.298 -3.111 1.00 0.00 N ATOM 609 CA ASP A 44 0.816 8.493 -3.650 1.00 0.00 C ATOM 610 C ASP A 44 -0.150 9.222 -4.578 1.00 0.00 C ATOM 611 O ASP A 44 -1.335 8.893 -4.630 1.00 0.00 O ATOM 612 CB ASP A 44 2.087 8.117 -4.413 1.00 0.00 C ATOM 613 CG ASP A 44 3.226 9.090 -4.166 1.00 0.00 C ATOM 614 OD1 ASP A 44 3.111 9.918 -3.238 1.00 0.00 O ATOM 615 OD2 ASP A 44 4.232 9.022 -4.902 1.00 0.00 O ATOM 0 H ASP A 44 0.039 6.557 -3.798 1.00 0.00 H new ATOM 0 HA ASP A 44 1.082 9.152 -2.824 1.00 0.00 H new ATOM 0 HB2 ASP A 44 2.400 7.115 -4.119 1.00 0.00 H new ATOM 0 HB3 ASP A 44 1.869 8.082 -5.480 1.00 0.00 H new ATOM 620 N ARG A 45 0.358 10.205 -5.315 1.00 0.00 N ATOM 621 CA ARG A 45 -0.472 10.969 -6.246 1.00 0.00 C ATOM 622 C ARG A 45 -1.310 10.036 -7.119 1.00 0.00 C ATOM 623 O ARG A 45 -2.500 10.271 -7.334 1.00 0.00 O ATOM 624 CB ARG A 45 0.387 11.880 -7.130 1.00 0.00 C ATOM 625 CG ARG A 45 1.783 11.344 -7.399 1.00 0.00 C ATOM 626 CD ARG A 45 2.820 12.035 -6.528 1.00 0.00 C ATOM 627 NE ARG A 45 2.996 13.438 -6.896 1.00 0.00 N ATOM 628 CZ ARG A 45 3.515 14.359 -6.087 1.00 0.00 C ATOM 629 NH1 ARG A 45 3.916 14.030 -4.865 1.00 0.00 N ATOM 630 NH2 ARG A 45 3.634 15.613 -6.500 1.00 0.00 N ATOM 0 H ARG A 45 1.336 10.492 -5.287 1.00 0.00 H new ATOM 0 HA ARG A 45 -1.142 11.592 -5.654 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -0.123 12.031 -8.082 1.00 0.00 H new ATOM 0 HB3 ARG A 45 0.470 12.857 -6.654 1.00 0.00 H new ATOM 0 HG2 ARG A 45 1.805 10.271 -7.211 1.00 0.00 H new ATOM 0 HG3 ARG A 45 2.034 11.489 -8.450 1.00 0.00 H new ATOM 0 HD2 ARG A 45 2.517 11.969 -5.483 1.00 0.00 H new ATOM 0 HD3 ARG A 45 3.773 11.514 -6.617 1.00 0.00 H new ATOM 0 HE ARG A 45 2.704 13.729 -7.829 1.00 0.00 H new ATOM 0 HH11 ARG A 45 3.827 13.067 -4.541 1.00 0.00 H new ATOM 0 HH12 ARG A 45 4.313 14.740 -4.250 1.00 0.00 H new ATOM 0 HH21 ARG A 45 3.328 15.872 -7.438 1.00 0.00 H new ATOM 0 HH22 ARG A 45 4.032 16.319 -5.880 1.00 0.00 H new ATOM 644 N PHE A 46 -0.686 8.968 -7.609 1.00 0.00 N ATOM 645 CA PHE A 46 -1.389 8.001 -8.442 1.00 0.00 C ATOM 646 C PHE A 46 -2.179 7.031 -7.572 1.00 0.00 C ATOM 647 O PHE A 46 -3.349 6.767 -7.831 1.00 0.00 O ATOM 648 CB PHE A 46 -0.406 7.234 -9.331 1.00 0.00 C ATOM 649 CG PHE A 46 -0.425 7.678 -10.767 1.00 0.00 C ATOM 650 CD1 PHE A 46 0.242 8.828 -11.156 1.00 0.00 C ATOM 651 CD2 PHE A 46 -1.112 6.948 -11.726 1.00 0.00 C ATOM 652 CE1 PHE A 46 0.229 9.241 -12.475 1.00 0.00 C ATOM 653 CE2 PHE A 46 -1.128 7.357 -13.046 1.00 0.00 C ATOM 654 CZ PHE A 46 -0.458 8.506 -13.421 1.00 0.00 C ATOM 0 H PHE A 46 0.297 8.753 -7.445 1.00 0.00 H new ATOM 0 HA PHE A 46 -2.082 8.543 -9.085 1.00 0.00 H new ATOM 0 HB2 PHE A 46 0.602 7.356 -8.934 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -0.640 6.170 -9.285 1.00 0.00 H new ATOM 0 HD1 PHE A 46 0.778 9.409 -10.420 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -1.640 6.051 -11.438 1.00 0.00 H new ATOM 0 HE1 PHE A 46 0.756 10.138 -12.766 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -1.664 6.779 -13.784 1.00 0.00 H new ATOM 0 HZ PHE A 46 -0.472 8.828 -14.452 1.00 0.00 H new ATOM 664 N GLY A 47 -1.538 6.514 -6.525 1.00 0.00 N ATOM 665 CA GLY A 47 -2.210 5.589 -5.625 1.00 0.00 C ATOM 666 C GLY A 47 -3.600 6.068 -5.251 1.00 0.00 C ATOM 667 O GLY A 47 -4.499 5.265 -5.008 1.00 0.00 O ATOM 0 H GLY A 47 -0.568 6.718 -6.284 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -2.279 4.609 -6.098 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -1.614 5.465 -4.721 1.00 0.00 H new ATOM 671 N GLN A 48 -3.777 7.385 -5.238 1.00 0.00 N ATOM 672 CA GLN A 48 -5.069 7.988 -4.929 1.00 0.00 C ATOM 673 C GLN A 48 -5.891 8.098 -6.205 1.00 0.00 C ATOM 674 O GLN A 48 -7.114 7.957 -6.194 1.00 0.00 O ATOM 675 CB GLN A 48 -4.883 9.369 -4.294 1.00 0.00 C ATOM 676 CG GLN A 48 -4.158 10.361 -5.187 1.00 0.00 C ATOM 677 CD GLN A 48 -4.317 11.794 -4.717 1.00 0.00 C ATOM 678 OE1 GLN A 48 -5.395 12.377 -4.822 1.00 0.00 O ATOM 679 NE2 GLN A 48 -3.240 12.368 -4.194 1.00 0.00 N ATOM 0 H GLN A 48 -3.038 8.058 -5.439 1.00 0.00 H new ATOM 0 HA GLN A 48 -5.595 7.356 -4.213 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -5.861 9.774 -4.035 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -4.327 9.259 -3.363 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -3.098 10.108 -5.219 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -4.537 10.272 -6.205 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -2.366 11.846 -4.127 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -3.287 13.331 -3.860 1.00 0.00 H new ATOM 688 N ASP A 49 -5.187 8.334 -7.307 1.00 0.00 N ATOM 689 CA ASP A 49 -5.802 8.450 -8.621 1.00 0.00 C ATOM 690 C ASP A 49 -6.474 7.143 -9.032 1.00 0.00 C ATOM 691 O ASP A 49 -7.199 7.098 -10.025 1.00 0.00 O ATOM 692 CB ASP A 49 -4.738 8.813 -9.657 1.00 0.00 C ATOM 693 CG ASP A 49 -5.337 9.383 -10.927 1.00 0.00 C ATOM 694 OD1 ASP A 49 -5.636 10.595 -10.951 1.00 0.00 O ATOM 695 OD2 ASP A 49 -5.508 8.616 -11.900 1.00 0.00 O ATOM 0 H ASP A 49 -4.174 8.450 -7.313 1.00 0.00 H new ATOM 0 HA ASP A 49 -6.560 9.231 -8.572 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -4.049 9.539 -9.226 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -4.155 7.925 -9.901 1.00 0.00 H new ATOM 700 N ILE A 50 -6.205 6.073 -8.287 1.00 0.00 N ATOM 701 CA ILE A 50 -6.765 4.768 -8.606 1.00 0.00 C ATOM 702 C ILE A 50 -7.603 4.206 -7.461 1.00 0.00 C ATOM 703 O ILE A 50 -8.628 3.566 -7.693 1.00 0.00 O ATOM 704 CB ILE A 50 -5.639 3.783 -8.964 1.00 0.00 C ATOM 705 CG1 ILE A 50 -4.815 4.351 -10.120 1.00 0.00 C ATOM 706 CG2 ILE A 50 -6.207 2.416 -9.321 1.00 0.00 C ATOM 707 CD1 ILE A 50 -3.459 4.873 -9.708 1.00 0.00 C ATOM 0 H ILE A 50 -5.605 6.087 -7.462 1.00 0.00 H new ATOM 0 HA ILE A 50 -7.426 4.898 -9.463 1.00 0.00 H new ATOM 0 HB ILE A 50 -4.991 3.652 -8.097 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -4.681 3.575 -10.873 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -5.376 5.158 -10.591 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -5.392 1.737 -9.570 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -6.762 2.019 -8.471 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -6.874 2.512 -10.178 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -2.936 5.259 -10.583 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -3.583 5.673 -8.978 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -2.877 4.065 -9.265 1.00 0.00 H new ATOM 719 N ILE A 51 -7.172 4.440 -6.226 1.00 0.00 N ATOM 720 CA ILE A 51 -7.909 3.942 -5.070 1.00 0.00 C ATOM 721 C ILE A 51 -9.247 4.665 -4.924 1.00 0.00 C ATOM 722 O ILE A 51 -10.272 4.045 -4.653 1.00 0.00 O ATOM 723 CB ILE A 51 -7.084 4.077 -3.761 1.00 0.00 C ATOM 724 CG1 ILE A 51 -7.210 2.804 -2.920 1.00 0.00 C ATOM 725 CG2 ILE A 51 -7.511 5.296 -2.947 1.00 0.00 C ATOM 726 CD1 ILE A 51 -5.905 2.364 -2.290 1.00 0.00 C ATOM 0 H ILE A 51 -6.327 4.965 -6.001 1.00 0.00 H new ATOM 0 HA ILE A 51 -8.098 2.882 -5.241 1.00 0.00 H new ATOM 0 HB ILE A 51 -6.040 4.217 -4.041 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -7.946 2.969 -2.133 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -7.590 1.999 -3.549 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -6.911 5.356 -2.039 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -7.364 6.199 -3.539 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -8.564 5.205 -2.680 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -6.069 1.456 -1.709 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -5.172 2.167 -3.072 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -5.533 3.152 -1.635 1.00 0.00 H new ATOM 738 N SER A 52 -9.226 5.981 -5.100 1.00 0.00 N ATOM 739 CA SER A 52 -10.434 6.791 -4.977 1.00 0.00 C ATOM 740 C SER A 52 -11.498 6.396 -6.007 1.00 0.00 C ATOM 741 O SER A 52 -12.627 6.071 -5.641 1.00 0.00 O ATOM 742 CB SER A 52 -10.095 8.276 -5.121 1.00 0.00 C ATOM 743 OG SER A 52 -11.269 9.069 -5.135 1.00 0.00 O ATOM 0 H SER A 52 -8.385 6.511 -5.329 1.00 0.00 H new ATOM 0 HA SER A 52 -10.848 6.607 -3.986 1.00 0.00 H new ATOM 0 HB2 SER A 52 -9.452 8.587 -4.297 1.00 0.00 H new ATOM 0 HB3 SER A 52 -9.533 8.436 -6.041 1.00 0.00 H new ATOM 0 HG SER A 52 -11.025 10.014 -5.226 1.00 0.00 H new ATOM 749 N PRO A 53 -11.171 6.422 -7.313 1.00 0.00 N ATOM 750 CA PRO A 53 -12.129 6.069 -8.365 1.00 0.00 C ATOM 751 C PRO A 53 -12.867 4.765 -8.073 1.00 0.00 C ATOM 752 O PRO A 53 -13.976 4.548 -8.562 1.00 0.00 O ATOM 753 CB PRO A 53 -11.267 5.929 -9.630 1.00 0.00 C ATOM 754 CG PRO A 53 -9.847 6.072 -9.187 1.00 0.00 C ATOM 755 CD PRO A 53 -9.870 6.802 -7.873 1.00 0.00 C ATOM 0 HA PRO A 53 -12.911 6.823 -8.457 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -11.430 4.963 -10.107 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -11.525 6.694 -10.363 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -9.377 5.095 -9.078 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -9.266 6.625 -9.925 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -9.047 6.497 -7.227 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -9.787 7.880 -8.008 1.00 0.00 H new ATOM 763 N LEU A 54 -12.252 3.902 -7.270 1.00 0.00 N ATOM 764 CA LEU A 54 -12.860 2.624 -6.913 1.00 0.00 C ATOM 765 C LEU A 54 -12.992 2.482 -5.399 1.00 0.00 C ATOM 766 O LEU A 54 -13.182 1.378 -4.885 1.00 0.00 O ATOM 767 CB LEU A 54 -12.026 1.469 -7.469 1.00 0.00 C ATOM 768 CG LEU A 54 -11.514 1.665 -8.898 1.00 0.00 C ATOM 769 CD1 LEU A 54 -10.068 1.211 -9.016 1.00 0.00 C ATOM 770 CD2 LEU A 54 -12.392 0.912 -9.885 1.00 0.00 C ATOM 0 H LEU A 54 -11.335 4.064 -6.855 1.00 0.00 H new ATOM 0 HA LEU A 54 -13.858 2.593 -7.350 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -11.171 1.310 -6.812 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -12.626 0.560 -7.436 1.00 0.00 H new ATOM 0 HG LEU A 54 -11.559 2.728 -9.136 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -9.723 1.358 -10.039 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -9.447 1.794 -8.336 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -9.996 0.155 -8.758 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -12.014 1.062 -10.896 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -12.378 -0.151 -9.646 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -13.414 1.285 -9.821 1.00 0.00 H new ATOM 782 N LEU A 55 -12.875 3.599 -4.684 1.00 0.00 N ATOM 783 CA LEU A 55 -12.964 3.589 -3.233 1.00 0.00 C ATOM 784 C LEU A 55 -13.111 5.007 -2.680 1.00 0.00 C ATOM 785 O LEU A 55 -12.706 5.973 -3.317 1.00 0.00 O ATOM 786 CB LEU A 55 -11.718 2.926 -2.662 1.00 0.00 C ATOM 787 CG LEU A 55 -11.988 1.860 -1.616 1.00 0.00 C ATOM 788 CD1 LEU A 55 -10.874 0.830 -1.617 1.00 0.00 C ATOM 789 CD2 LEU A 55 -12.134 2.510 -0.257 1.00 0.00 C ATOM 0 H LEU A 55 -12.718 4.521 -5.090 1.00 0.00 H new ATOM 0 HA LEU A 55 -13.849 3.026 -2.938 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -11.154 2.478 -3.480 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -11.084 3.695 -2.222 1.00 0.00 H new ATOM 0 HG LEU A 55 -12.918 1.344 -1.853 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -11.080 0.071 -0.862 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -10.815 0.359 -2.598 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -9.926 1.319 -1.391 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -12.328 1.744 0.494 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -11.215 3.039 -0.006 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -12.965 3.215 -0.278 1.00 0.00 H new ATOM 801 N SER A 56 -13.692 5.131 -1.491 1.00 0.00 N ATOM 802 CA SER A 56 -13.877 6.443 -0.878 1.00 0.00 C ATOM 803 C SER A 56 -13.387 6.452 0.568 1.00 0.00 C ATOM 804 O SER A 56 -12.934 5.432 1.088 1.00 0.00 O ATOM 805 CB SER A 56 -15.348 6.864 -0.941 1.00 0.00 C ATOM 806 OG SER A 56 -15.487 8.143 -1.535 1.00 0.00 O ATOM 0 H SER A 56 -14.040 4.348 -0.937 1.00 0.00 H new ATOM 0 HA SER A 56 -13.281 7.160 -1.442 1.00 0.00 H new ATOM 0 HB2 SER A 56 -15.915 6.130 -1.513 1.00 0.00 H new ATOM 0 HB3 SER A 56 -15.769 6.879 0.064 1.00 0.00 H new ATOM 0 HG SER A 56 -16.435 8.388 -1.565 1.00 0.00 H new ATOM 812 N VAL A 57 -13.478 7.615 1.206 1.00 0.00 N ATOM 813 CA VAL A 57 -13.042 7.773 2.590 1.00 0.00 C ATOM 814 C VAL A 57 -13.869 6.909 3.530 1.00 0.00 C ATOM 815 O VAL A 57 -13.329 6.173 4.355 1.00 0.00 O ATOM 816 CB VAL A 57 -13.150 9.238 3.053 1.00 0.00 C ATOM 817 CG1 VAL A 57 -12.278 9.479 4.276 1.00 0.00 C ATOM 818 CG2 VAL A 57 -12.779 10.192 1.929 1.00 0.00 C ATOM 0 H VAL A 57 -13.851 8.465 0.785 1.00 0.00 H new ATOM 0 HA VAL A 57 -11.999 7.459 2.624 1.00 0.00 H new ATOM 0 HB VAL A 57 -14.187 9.431 3.329 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -12.368 10.520 4.588 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -12.602 8.828 5.088 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -11.238 9.263 4.030 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -12.863 11.220 2.282 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -11.754 10.000 1.612 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -13.453 10.041 1.086 1.00 0.00 H new ATOM 828 N LYS A 58 -15.184 7.015 3.405 1.00 0.00 N ATOM 829 CA LYS A 58 -16.092 6.250 4.253 1.00 0.00 C ATOM 830 C LYS A 58 -16.002 4.758 3.953 1.00 0.00 C ATOM 831 O LYS A 58 -16.129 3.930 4.853 1.00 0.00 O ATOM 832 CB LYS A 58 -17.532 6.744 4.080 1.00 0.00 C ATOM 833 CG LYS A 58 -18.157 6.360 2.749 1.00 0.00 C ATOM 834 CD LYS A 58 -19.554 6.942 2.599 1.00 0.00 C ATOM 835 CE LYS A 58 -20.542 5.896 2.106 1.00 0.00 C ATOM 836 NZ LYS A 58 -20.573 5.815 0.619 1.00 0.00 N ATOM 0 H LYS A 58 -15.647 7.621 2.727 1.00 0.00 H new ATOM 0 HA LYS A 58 -15.791 6.403 5.289 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -18.144 6.342 4.887 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -17.548 7.829 4.179 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -17.525 6.714 1.934 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -18.204 5.274 2.668 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -19.889 7.338 3.558 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -19.528 7.778 1.900 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -20.274 4.922 2.517 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -21.539 6.135 2.477 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -20.944 4.888 0.330 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -21.186 6.566 0.243 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -19.610 5.934 0.245 1.00 0.00 H new ATOM 850 N GLU A 59 -15.759 4.418 2.691 1.00 0.00 N ATOM 851 CA GLU A 59 -15.628 3.013 2.309 1.00 0.00 C ATOM 852 C GLU A 59 -14.289 2.488 2.798 1.00 0.00 C ATOM 853 O GLU A 59 -14.154 1.316 3.153 1.00 0.00 O ATOM 854 CB GLU A 59 -15.750 2.807 0.789 1.00 0.00 C ATOM 855 CG GLU A 59 -16.249 4.020 0.023 1.00 0.00 C ATOM 856 CD GLU A 59 -17.638 4.453 0.446 1.00 0.00 C ATOM 857 OE1 GLU A 59 -18.324 3.664 1.130 1.00 0.00 O ATOM 858 OE2 GLU A 59 -18.041 5.581 0.094 1.00 0.00 O ATOM 0 H GLU A 59 -15.650 5.083 1.925 1.00 0.00 H new ATOM 0 HA GLU A 59 -16.445 2.461 2.773 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -14.775 2.521 0.395 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -16.426 1.973 0.602 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -15.555 4.848 0.171 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -16.253 3.794 -1.043 1.00 0.00 H new ATOM 865 N LEU A 60 -13.303 3.379 2.832 1.00 0.00 N ATOM 866 CA LEU A 60 -11.971 3.030 3.295 1.00 0.00 C ATOM 867 C LEU A 60 -12.027 2.519 4.729 1.00 0.00 C ATOM 868 O LEU A 60 -11.530 1.438 5.035 1.00 0.00 O ATOM 869 CB LEU A 60 -11.045 4.245 3.209 1.00 0.00 C ATOM 870 CG LEU A 60 -10.405 4.464 1.841 1.00 0.00 C ATOM 871 CD1 LEU A 60 -10.086 5.933 1.620 1.00 0.00 C ATOM 872 CD2 LEU A 60 -9.155 3.610 1.704 1.00 0.00 C ATOM 0 H LEU A 60 -13.406 4.352 2.542 1.00 0.00 H new ATOM 0 HA LEU A 60 -11.577 2.240 2.655 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -11.612 5.137 3.476 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -10.254 4.135 3.951 1.00 0.00 H new ATOM 0 HG LEU A 60 -11.117 4.160 1.073 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -9.631 6.063 0.638 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -11.005 6.517 1.674 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -9.393 6.275 2.389 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -8.707 3.775 0.724 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -8.440 3.884 2.480 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -9.420 2.558 1.810 1.00 0.00 H new ATOM 884 N ARG A 61 -12.650 3.303 5.603 1.00 0.00 N ATOM 885 CA ARG A 61 -12.781 2.926 7.004 1.00 0.00 C ATOM 886 C ARG A 61 -13.847 1.847 7.180 1.00 0.00 C ATOM 887 O ARG A 61 -13.828 1.095 8.153 1.00 0.00 O ATOM 888 CB ARG A 61 -13.131 4.149 7.854 1.00 0.00 C ATOM 889 CG ARG A 61 -12.055 5.223 7.846 1.00 0.00 C ATOM 890 CD ARG A 61 -11.407 5.377 9.213 1.00 0.00 C ATOM 891 NE ARG A 61 -12.356 5.847 10.219 1.00 0.00 N ATOM 892 CZ ARG A 61 -12.019 6.153 11.470 1.00 0.00 C ATOM 893 NH1 ARG A 61 -10.759 6.039 11.873 1.00 0.00 N ATOM 894 NH2 ARG A 61 -12.945 6.574 12.321 1.00 0.00 N ATOM 0 H ARG A 61 -13.071 4.201 5.366 1.00 0.00 H new ATOM 0 HA ARG A 61 -11.824 2.524 7.337 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -14.064 4.579 7.491 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -13.306 3.829 8.881 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -11.293 4.970 7.108 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -12.492 6.174 7.541 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -10.991 4.420 9.527 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -10.576 6.079 9.143 1.00 0.00 H new ATOM 0 HE ARG A 61 -13.334 5.947 9.947 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -10.043 5.715 11.223 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -10.507 6.275 12.833 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -13.914 6.663 12.017 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -12.688 6.809 13.280 1.00 0.00 H new ATOM 908 N ASP A 62 -14.778 1.781 6.232 1.00 0.00 N ATOM 909 CA ASP A 62 -15.855 0.797 6.283 1.00 0.00 C ATOM 910 C ASP A 62 -15.346 -0.604 5.951 1.00 0.00 C ATOM 911 O ASP A 62 -15.984 -1.598 6.296 1.00 0.00 O ATOM 912 CB ASP A 62 -16.974 1.186 5.315 1.00 0.00 C ATOM 913 CG ASP A 62 -18.155 0.238 5.385 1.00 0.00 C ATOM 914 OD1 ASP A 62 -19.064 0.482 6.206 1.00 0.00 O ATOM 915 OD2 ASP A 62 -18.171 -0.749 4.620 1.00 0.00 O ATOM 0 H ASP A 62 -14.808 2.397 5.420 1.00 0.00 H new ATOM 0 HA ASP A 62 -16.246 0.784 7.301 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -17.310 2.198 5.541 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -16.582 1.200 4.298 1.00 0.00 H new ATOM 920 N MET A 63 -14.197 -0.683 5.284 1.00 0.00 N ATOM 921 CA MET A 63 -13.622 -1.974 4.919 1.00 0.00 C ATOM 922 C MET A 63 -12.718 -2.502 6.026 1.00 0.00 C ATOM 923 O MET A 63 -12.433 -3.698 6.089 1.00 0.00 O ATOM 924 CB MET A 63 -12.818 -1.854 3.625 1.00 0.00 C ATOM 925 CG MET A 63 -13.674 -1.646 2.386 1.00 0.00 C ATOM 926 SD MET A 63 -12.690 -1.273 0.922 1.00 0.00 S ATOM 927 CE MET A 63 -11.500 -0.120 1.602 1.00 0.00 C ATOM 0 H MET A 63 -13.650 0.125 4.987 1.00 0.00 H new ATOM 0 HA MET A 63 -14.445 -2.673 4.772 1.00 0.00 H new ATOM 0 HB2 MET A 63 -12.121 -1.021 3.717 1.00 0.00 H new ATOM 0 HB3 MET A 63 -12.221 -2.756 3.495 1.00 0.00 H new ATOM 0 HG2 MET A 63 -14.266 -2.542 2.203 1.00 0.00 H new ATOM 0 HG3 MET A 63 -14.376 -0.831 2.566 1.00 0.00 H new ATOM 0 HE1 MET A 63 -11.085 0.490 0.800 1.00 0.00 H new ATOM 0 HE2 MET A 63 -11.993 0.524 2.331 1.00 0.00 H new ATOM 0 HE3 MET A 63 -10.697 -0.672 2.090 1.00 0.00 H new ATOM 937 N GLY A 64 -12.271 -1.605 6.898 1.00 0.00 N ATOM 938 CA GLY A 64 -11.405 -2.005 7.986 1.00 0.00 C ATOM 939 C GLY A 64 -10.045 -1.340 7.925 1.00 0.00 C ATOM 940 O GLY A 64 -9.025 -1.978 8.184 1.00 0.00 O ATOM 0 H GLY A 64 -12.494 -0.610 6.869 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -11.883 -1.759 8.934 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -11.277 -3.087 7.964 1.00 0.00 H new ATOM 944 N ILE A 65 -10.025 -0.053 7.587 1.00 0.00 N ATOM 945 CA ILE A 65 -8.774 0.686 7.504 1.00 0.00 C ATOM 946 C ILE A 65 -8.559 1.533 8.757 1.00 0.00 C ATOM 947 O ILE A 65 -9.408 2.344 9.128 1.00 0.00 O ATOM 948 CB ILE A 65 -8.716 1.570 6.232 1.00 0.00 C ATOM 949 CG1 ILE A 65 -7.348 1.439 5.571 1.00 0.00 C ATOM 950 CG2 ILE A 65 -9.020 3.032 6.541 1.00 0.00 C ATOM 951 CD1 ILE A 65 -7.209 2.253 4.305 1.00 0.00 C ATOM 0 H ILE A 65 -10.857 0.495 7.368 1.00 0.00 H new ATOM 0 HA ILE A 65 -7.968 -0.044 7.437 1.00 0.00 H new ATOM 0 HB ILE A 65 -9.485 1.218 5.545 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -6.580 1.750 6.279 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -7.164 0.390 5.341 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -8.969 3.616 5.622 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -10.020 3.113 6.968 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -8.289 3.413 7.254 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -6.211 2.112 3.889 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -7.954 1.927 3.579 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -7.361 3.308 4.532 1.00 0.00 H new ATOM 963 N THR A 66 -7.423 1.326 9.412 1.00 0.00 N ATOM 964 CA THR A 66 -7.101 2.057 10.630 1.00 0.00 C ATOM 965 C THR A 66 -6.430 3.394 10.327 1.00 0.00 C ATOM 966 O THR A 66 -6.309 4.244 11.211 1.00 0.00 O ATOM 967 CB THR A 66 -6.197 1.213 11.530 1.00 0.00 C ATOM 968 OG1 THR A 66 -5.697 1.987 12.606 1.00 0.00 O ATOM 969 CG2 THR A 66 -5.011 0.622 10.800 1.00 0.00 C ATOM 0 H THR A 66 -6.710 0.658 9.120 1.00 0.00 H new ATOM 0 HA THR A 66 -8.038 2.263 11.147 1.00 0.00 H new ATOM 0 HB THR A 66 -6.826 0.398 11.889 1.00 0.00 H new ATOM 0 HG1 THR A 66 -5.855 2.937 12.427 1.00 0.00 H new ATOM 0 HG21 THR A 66 -4.411 0.035 11.496 1.00 0.00 H new ATOM 0 HG22 THR A 66 -5.364 -0.021 9.993 1.00 0.00 H new ATOM 0 HG23 THR A 66 -4.403 1.425 10.384 1.00 0.00 H new ATOM 977 N LEU A 67 -5.987 3.587 9.084 1.00 0.00 N ATOM 978 CA LEU A 67 -5.328 4.832 8.706 1.00 0.00 C ATOM 979 C LEU A 67 -4.912 4.820 7.238 1.00 0.00 C ATOM 980 O LEU A 67 -4.410 3.820 6.726 1.00 0.00 O ATOM 981 CB LEU A 67 -4.106 5.071 9.605 1.00 0.00 C ATOM 982 CG LEU A 67 -3.115 6.147 9.132 1.00 0.00 C ATOM 983 CD1 LEU A 67 -2.232 5.616 8.011 1.00 0.00 C ATOM 984 CD2 LEU A 67 -3.852 7.404 8.691 1.00 0.00 C ATOM 0 H LEU A 67 -6.072 2.904 8.331 1.00 0.00 H new ATOM 0 HA LEU A 67 -6.039 5.647 8.842 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -4.460 5.345 10.599 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -3.566 4.129 9.707 1.00 0.00 H new ATOM 0 HG LEU A 67 -2.473 6.408 9.973 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -1.539 6.395 7.693 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -1.669 4.754 8.369 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -2.855 5.318 7.167 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -3.131 8.152 8.360 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -4.526 7.161 7.869 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -4.428 7.800 9.527 1.00 0.00 H new ATOM 996 N HIS A 68 -5.116 5.953 6.578 1.00 0.00 N ATOM 997 CA HIS A 68 -4.759 6.112 5.174 1.00 0.00 C ATOM 998 C HIS A 68 -4.203 7.512 4.939 1.00 0.00 C ATOM 999 O HIS A 68 -4.892 8.504 5.178 1.00 0.00 O ATOM 1000 CB HIS A 68 -5.980 5.877 4.284 1.00 0.00 C ATOM 1001 CG HIS A 68 -7.164 6.714 4.658 1.00 0.00 C ATOM 1002 ND1 HIS A 68 -8.065 6.348 5.636 1.00 0.00 N ATOM 1003 CD2 HIS A 68 -7.592 7.907 4.182 1.00 0.00 C ATOM 1004 CE1 HIS A 68 -8.996 7.279 5.744 1.00 0.00 C ATOM 1005 NE2 HIS A 68 -8.731 8.236 4.874 1.00 0.00 N ATOM 0 H HIS A 68 -5.532 6.784 6.999 1.00 0.00 H new ATOM 0 HA HIS A 68 -3.997 5.376 4.919 1.00 0.00 H new ATOM 0 HB2 HIS A 68 -5.710 6.086 3.249 1.00 0.00 H new ATOM 0 HB3 HIS A 68 -6.259 4.825 4.335 1.00 0.00 H new ATOM 0 HD1 HIS A 68 -8.020 5.492 6.189 1.00 0.00 H new ATOM 0 HD2 HIS A 68 -7.124 8.491 3.403 1.00 0.00 H new ATOM 0 HE1 HIS A 68 -9.832 7.260 6.428 1.00 0.00 H new ATOM 1014 N LEU A 69 -2.953 7.602 4.488 1.00 0.00 N ATOM 1015 CA LEU A 69 -2.340 8.905 4.256 1.00 0.00 C ATOM 1016 C LEU A 69 -1.331 8.885 3.105 1.00 0.00 C ATOM 1017 O LEU A 69 -0.957 7.825 2.594 1.00 0.00 O ATOM 1018 CB LEU A 69 -1.692 9.416 5.553 1.00 0.00 C ATOM 1019 CG LEU A 69 -0.292 8.879 5.877 1.00 0.00 C ATOM 1020 CD1 LEU A 69 -0.223 7.369 5.694 1.00 0.00 C ATOM 1021 CD2 LEU A 69 0.747 9.578 5.018 1.00 0.00 C ATOM 0 H LEU A 69 -2.355 6.802 4.279 1.00 0.00 H new ATOM 0 HA LEU A 69 -3.131 9.592 3.956 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -1.637 10.503 5.501 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -2.353 9.170 6.384 1.00 0.00 H new ATOM 0 HG LEU A 69 -0.078 9.091 6.925 1.00 0.00 H new ATOM 0 HD11 LEU A 69 0.782 7.019 5.931 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -0.941 6.889 6.359 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -0.460 7.117 4.661 1.00 0.00 H new ATOM 0 HD21 LEU A 69 1.737 9.189 5.256 1.00 0.00 H new ATOM 0 HD22 LEU A 69 0.530 9.397 3.965 1.00 0.00 H new ATOM 0 HD23 LEU A 69 0.721 10.650 5.215 1.00 0.00 H new ATOM 1033 N LEU A 70 -0.914 10.084 2.701 1.00 0.00 N ATOM 1034 CA LEU A 70 0.036 10.271 1.607 1.00 0.00 C ATOM 1035 C LEU A 70 1.477 10.137 2.081 1.00 0.00 C ATOM 1036 O LEU A 70 1.873 10.755 3.068 1.00 0.00 O ATOM 1037 CB LEU A 70 -0.144 11.666 1.003 1.00 0.00 C ATOM 1038 CG LEU A 70 -0.954 11.731 -0.287 1.00 0.00 C ATOM 1039 CD1 LEU A 70 -0.854 13.122 -0.893 1.00 0.00 C ATOM 1040 CD2 LEU A 70 -0.471 10.682 -1.278 1.00 0.00 C ATOM 0 H LEU A 70 -1.228 10.957 3.126 1.00 0.00 H new ATOM 0 HA LEU A 70 -0.163 9.497 0.866 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -0.626 12.303 1.745 1.00 0.00 H new ATOM 0 HB3 LEU A 70 0.842 12.089 0.812 1.00 0.00 H new ATOM 0 HG LEU A 70 -1.998 11.522 -0.054 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -1.435 13.160 -1.814 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -1.244 13.855 -0.187 1.00 0.00 H new ATOM 0 HD13 LEU A 70 0.189 13.349 -1.113 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -1.062 10.745 -2.192 1.00 0.00 H new ATOM 0 HD22 LEU A 70 0.579 10.859 -1.512 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -0.583 9.690 -0.841 1.00 0.00 H new ATOM 1052 N LEU A 71 2.278 9.366 1.351 1.00 0.00 N ATOM 1053 CA LEU A 71 3.692 9.206 1.705 1.00 0.00 C ATOM 1054 C LEU A 71 4.340 10.566 1.949 1.00 0.00 C ATOM 1055 O LEU A 71 5.314 10.681 2.694 1.00 0.00 O ATOM 1056 CB LEU A 71 4.451 8.488 0.593 1.00 0.00 C ATOM 1057 CG LEU A 71 3.809 7.201 0.097 1.00 0.00 C ATOM 1058 CD1 LEU A 71 3.204 7.409 -1.280 1.00 0.00 C ATOM 1059 CD2 LEU A 71 4.825 6.067 0.083 1.00 0.00 C ATOM 0 H LEU A 71 1.982 8.848 0.523 1.00 0.00 H new ATOM 0 HA LEU A 71 3.740 8.610 2.616 1.00 0.00 H new ATOM 0 HB2 LEU A 71 4.559 9.170 -0.250 1.00 0.00 H new ATOM 0 HB3 LEU A 71 5.456 8.260 0.949 1.00 0.00 H new ATOM 0 HG LEU A 71 3.007 6.925 0.782 1.00 0.00 H new ATOM 0 HD11 LEU A 71 2.749 6.479 -1.621 1.00 0.00 H new ATOM 0 HD12 LEU A 71 2.444 8.188 -1.229 1.00 0.00 H new ATOM 0 HD13 LEU A 71 3.985 7.709 -1.979 1.00 0.00 H new ATOM 0 HD21 LEU A 71 4.347 5.155 -0.275 1.00 0.00 H new ATOM 0 HD22 LEU A 71 5.651 6.327 -0.578 1.00 0.00 H new ATOM 0 HD23 LEU A 71 5.205 5.906 1.092 1.00 0.00 H new ATOM 1071 N HIS A 72 3.785 11.588 1.312 1.00 0.00 N ATOM 1072 CA HIS A 72 4.290 12.948 1.445 1.00 0.00 C ATOM 1073 C HIS A 72 3.505 13.712 2.500 1.00 0.00 C ATOM 1074 O HIS A 72 3.264 14.913 2.368 1.00 0.00 O ATOM 1075 CB HIS A 72 4.198 13.673 0.104 1.00 0.00 C ATOM 1076 CG HIS A 72 5.343 14.602 -0.159 1.00 0.00 C ATOM 1077 ND1 HIS A 72 5.405 15.428 -1.262 1.00 0.00 N ATOM 1078 CD2 HIS A 72 6.476 14.833 0.546 1.00 0.00 C ATOM 1079 CE1 HIS A 72 6.527 16.126 -1.223 1.00 0.00 C ATOM 1080 NE2 HIS A 72 7.193 15.784 -0.136 1.00 0.00 N ATOM 0 H HIS A 72 2.979 11.500 0.693 1.00 0.00 H new ATOM 0 HA HIS A 72 5.333 12.899 1.757 1.00 0.00 H new ATOM 0 HB2 HIS A 72 4.150 12.934 -0.696 1.00 0.00 H new ATOM 0 HB3 HIS A 72 3.267 14.239 0.070 1.00 0.00 H new ATOM 0 HD2 HIS A 72 6.762 14.357 1.472 1.00 0.00 H new ATOM 0 HE1 HIS A 72 6.845 16.853 -1.956 1.00 0.00 H new ATOM 0 HE2 HIS A 72 8.095 16.165 0.151 1.00 0.00 H new ATOM 1089 N SER A 73 3.112 13.004 3.546 1.00 0.00 N ATOM 1090 CA SER A 73 2.351 13.602 4.635 1.00 0.00 C ATOM 1091 C SER A 73 2.739 12.970 5.966 1.00 0.00 C ATOM 1092 O SER A 73 3.259 11.856 6.003 1.00 0.00 O ATOM 1093 CB SER A 73 0.850 13.431 4.393 1.00 0.00 C ATOM 1094 OG SER A 73 0.316 14.542 3.693 1.00 0.00 O ATOM 0 H SER A 73 3.308 12.010 3.666 1.00 0.00 H new ATOM 0 HA SER A 73 2.583 14.666 4.671 1.00 0.00 H new ATOM 0 HB2 SER A 73 0.672 12.519 3.824 1.00 0.00 H new ATOM 0 HB3 SER A 73 0.335 13.317 5.347 1.00 0.00 H new ATOM 0 HG SER A 73 1.005 14.922 3.109 1.00 0.00 H new ATOM 1100 N ASP A 74 2.485 13.684 7.057 1.00 0.00 N ATOM 1101 CA ASP A 74 2.812 13.178 8.385 1.00 0.00 C ATOM 1102 C ASP A 74 2.145 11.829 8.626 1.00 0.00 C ATOM 1103 O ASP A 74 0.950 11.757 8.909 1.00 0.00 O ATOM 1104 CB ASP A 74 2.377 14.172 9.460 1.00 0.00 C ATOM 1105 CG ASP A 74 2.812 15.591 9.147 1.00 0.00 C ATOM 1106 OD1 ASP A 74 4.024 15.806 8.929 1.00 0.00 O ATOM 1107 OD2 ASP A 74 1.942 16.486 9.119 1.00 0.00 O ATOM 0 H ASP A 74 2.056 14.609 7.049 1.00 0.00 H new ATOM 0 HA ASP A 74 3.893 13.049 8.441 1.00 0.00 H new ATOM 0 HB2 ASP A 74 1.292 14.142 9.561 1.00 0.00 H new ATOM 0 HB3 ASP A 74 2.795 13.870 10.420 1.00 0.00 H new ATOM 1112 N ARG A 75 2.927 10.764 8.505 1.00 0.00 N ATOM 1113 CA ARG A 75 2.413 9.416 8.704 1.00 0.00 C ATOM 1114 C ARG A 75 2.191 9.128 10.183 1.00 0.00 C ATOM 1115 O ARG A 75 2.837 9.720 11.047 1.00 0.00 O ATOM 1116 CB ARG A 75 3.374 8.384 8.103 1.00 0.00 C ATOM 1117 CG ARG A 75 2.735 7.523 7.031 1.00 0.00 C ATOM 1118 CD ARG A 75 3.777 6.834 6.169 1.00 0.00 C ATOM 1119 NE ARG A 75 4.395 7.756 5.218 1.00 0.00 N ATOM 1120 CZ ARG A 75 5.713 7.907 5.076 1.00 0.00 C ATOM 1121 NH1 ARG A 75 6.561 7.193 5.808 1.00 0.00 N ATOM 1122 NH2 ARG A 75 6.187 8.772 4.193 1.00 0.00 N ATOM 0 H ARG A 75 3.919 10.808 8.270 1.00 0.00 H new ATOM 0 HA ARG A 75 1.452 9.343 8.194 1.00 0.00 H new ATOM 0 HB2 ARG A 75 4.234 8.902 7.678 1.00 0.00 H new ATOM 0 HB3 ARG A 75 3.750 7.741 8.899 1.00 0.00 H new ATOM 0 HG2 ARG A 75 2.097 6.774 7.499 1.00 0.00 H new ATOM 0 HG3 ARG A 75 2.094 8.141 6.403 1.00 0.00 H new ATOM 0 HD2 ARG A 75 4.547 6.401 6.807 1.00 0.00 H new ATOM 0 HD3 ARG A 75 3.312 6.011 5.627 1.00 0.00 H new ATOM 0 HE ARG A 75 3.782 8.318 4.627 1.00 0.00 H new ATOM 0 HH11 ARG A 75 6.207 6.520 6.488 1.00 0.00 H new ATOM 0 HH12 ARG A 75 7.566 7.318 5.690 1.00 0.00 H new ATOM 0 HH21 ARG A 75 5.545 9.322 3.622 1.00 0.00 H new ATOM 0 HH22 ARG A 75 7.194 8.889 4.083 1.00 0.00 H new ATOM 1136 N ASP A 76 1.273 8.210 10.466 1.00 0.00 N ATOM 1137 CA ASP A 76 0.964 7.837 11.838 1.00 0.00 C ATOM 1138 C ASP A 76 1.615 6.503 12.189 1.00 0.00 C ATOM 1139 O ASP A 76 1.670 5.596 11.357 1.00 0.00 O ATOM 1140 CB ASP A 76 -0.550 7.751 12.038 1.00 0.00 C ATOM 1141 CG ASP A 76 -0.954 7.907 13.490 1.00 0.00 C ATOM 1142 OD1 ASP A 76 -0.926 6.898 14.227 1.00 0.00 O ATOM 1143 OD2 ASP A 76 -1.298 9.038 13.894 1.00 0.00 O ATOM 0 H ASP A 76 0.730 7.711 9.761 1.00 0.00 H new ATOM 0 HA ASP A 76 1.363 8.605 12.501 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -1.036 8.525 11.444 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -0.908 6.791 11.666 1.00 0.00 H new ATOM 1148 N PRO A 77 2.128 6.361 13.423 1.00 0.00 N ATOM 1149 CA PRO A 77 2.783 5.135 13.864 1.00 0.00 C ATOM 1150 C PRO A 77 1.801 4.101 14.410 1.00 0.00 C ATOM 1151 O PRO A 77 1.235 4.276 15.488 1.00 0.00 O ATOM 1152 CB PRO A 77 3.701 5.635 14.975 1.00 0.00 C ATOM 1153 CG PRO A 77 2.963 6.782 15.581 1.00 0.00 C ATOM 1154 CD PRO A 77 2.124 7.390 14.481 1.00 0.00 C ATOM 0 HA PRO A 77 3.294 4.623 13.048 1.00 0.00 H new ATOM 0 HB2 PRO A 77 3.895 4.855 15.711 1.00 0.00 H new ATOM 0 HB3 PRO A 77 4.667 5.949 14.580 1.00 0.00 H new ATOM 0 HG2 PRO A 77 2.335 6.445 16.406 1.00 0.00 H new ATOM 0 HG3 PRO A 77 3.657 7.517 15.989 1.00 0.00 H new ATOM 0 HD2 PRO A 77 1.112 7.607 14.824 1.00 0.00 H new ATOM 0 HD3 PRO A 77 2.549 8.329 14.127 1.00 0.00 H new ATOM 1162 N ILE A 78 1.621 3.016 13.664 1.00 0.00 N ATOM 1163 CA ILE A 78 0.725 1.940 14.077 1.00 0.00 C ATOM 1164 C ILE A 78 1.384 0.580 13.862 1.00 0.00 C ATOM 1165 O ILE A 78 0.918 -0.235 13.066 1.00 0.00 O ATOM 1166 CB ILE A 78 -0.614 1.981 13.314 1.00 0.00 C ATOM 1167 CG1 ILE A 78 -1.202 3.391 13.343 1.00 0.00 C ATOM 1168 CG2 ILE A 78 -1.592 0.986 13.916 1.00 0.00 C ATOM 1169 CD1 ILE A 78 -0.575 4.328 12.337 1.00 0.00 C ATOM 0 H ILE A 78 2.084 2.858 12.769 1.00 0.00 H new ATOM 0 HA ILE A 78 0.521 2.087 15.138 1.00 0.00 H new ATOM 0 HB ILE A 78 -0.431 1.706 12.275 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -2.274 3.333 13.154 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -1.077 3.808 14.342 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -2.534 1.025 13.368 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -1.175 -0.019 13.851 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -1.770 1.238 14.962 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -1.041 5.310 12.415 1.00 0.00 H new ATOM 0 HD12 ILE A 78 0.493 4.416 12.538 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -0.723 3.934 11.331 1.00 0.00 H new ATOM 1181 N ARG A 79 2.481 0.352 14.577 1.00 0.00 N ATOM 1182 CA ARG A 79 3.229 -0.898 14.472 1.00 0.00 C ATOM 1183 C ARG A 79 2.366 -2.109 14.816 1.00 0.00 C ATOM 1184 O ARG A 79 2.703 -3.237 14.464 1.00 0.00 O ATOM 1185 CB ARG A 79 4.442 -0.862 15.400 1.00 0.00 C ATOM 1186 CG ARG A 79 4.141 -0.295 16.778 1.00 0.00 C ATOM 1187 CD ARG A 79 4.668 1.124 16.927 1.00 0.00 C ATOM 1188 NE ARG A 79 6.004 1.151 17.519 1.00 0.00 N ATOM 1189 CZ ARG A 79 6.538 2.225 18.095 1.00 0.00 C ATOM 1190 NH1 ARG A 79 5.857 3.363 18.157 1.00 0.00 N ATOM 1191 NH2 ARG A 79 7.759 2.163 18.608 1.00 0.00 N ATOM 0 H ARG A 79 2.874 1.020 15.239 1.00 0.00 H new ATOM 0 HA ARG A 79 3.554 -0.996 13.436 1.00 0.00 H new ATOM 0 HB2 ARG A 79 4.834 -1.873 15.511 1.00 0.00 H new ATOM 0 HB3 ARG A 79 5.227 -0.265 14.935 1.00 0.00 H new ATOM 0 HG2 ARG A 79 3.064 -0.304 16.948 1.00 0.00 H new ATOM 0 HG3 ARG A 79 4.589 -0.932 17.540 1.00 0.00 H new ATOM 0 HD2 ARG A 79 4.694 1.606 15.950 1.00 0.00 H new ATOM 0 HD3 ARG A 79 3.984 1.702 17.549 1.00 0.00 H new ATOM 0 HE ARG A 79 6.560 0.296 17.489 1.00 0.00 H new ATOM 0 HH11 ARG A 79 4.918 3.418 17.762 1.00 0.00 H new ATOM 0 HH12 ARG A 79 6.272 4.182 18.600 1.00 0.00 H new ATOM 0 HH21 ARG A 79 8.288 1.292 18.561 1.00 0.00 H new ATOM 0 HH22 ARG A 79 8.169 2.986 19.050 1.00 0.00 H new ATOM 1205 N ASP A 80 1.266 -1.876 15.520 1.00 0.00 N ATOM 1206 CA ASP A 80 0.377 -2.962 15.921 1.00 0.00 C ATOM 1207 C ASP A 80 -0.733 -3.204 14.898 1.00 0.00 C ATOM 1208 O ASP A 80 -1.769 -3.782 15.228 1.00 0.00 O ATOM 1209 CB ASP A 80 -0.239 -2.658 17.288 1.00 0.00 C ATOM 1210 CG ASP A 80 -0.721 -3.910 17.995 1.00 0.00 C ATOM 1211 OD1 ASP A 80 -0.177 -4.998 17.712 1.00 0.00 O ATOM 1212 OD2 ASP A 80 -1.643 -3.802 18.830 1.00 0.00 O ATOM 0 H ASP A 80 0.968 -0.949 15.825 1.00 0.00 H new ATOM 0 HA ASP A 80 0.978 -3.869 15.979 1.00 0.00 H new ATOM 0 HB2 ASP A 80 0.498 -2.153 17.912 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -1.075 -1.970 17.162 1.00 0.00 H new ATOM 1217 N VAL A 81 -0.523 -2.764 13.660 1.00 0.00 N ATOM 1218 CA VAL A 81 -1.524 -2.944 12.617 1.00 0.00 C ATOM 1219 C VAL A 81 -0.881 -3.086 11.234 1.00 0.00 C ATOM 1220 O VAL A 81 -0.075 -2.247 10.831 1.00 0.00 O ATOM 1221 CB VAL A 81 -2.497 -1.754 12.591 1.00 0.00 C ATOM 1222 CG1 VAL A 81 -3.554 -1.938 11.510 1.00 0.00 C ATOM 1223 CG2 VAL A 81 -3.146 -1.566 13.954 1.00 0.00 C ATOM 0 H VAL A 81 0.325 -2.284 13.358 1.00 0.00 H new ATOM 0 HA VAL A 81 -2.064 -3.862 12.849 1.00 0.00 H new ATOM 0 HB VAL A 81 -1.928 -0.855 12.354 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -4.230 -1.083 11.513 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -3.069 -2.015 10.537 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -4.120 -2.848 11.706 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -3.831 -0.719 13.917 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -3.697 -2.467 14.222 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -2.375 -1.376 14.701 1.00 0.00 H new ATOM 1233 N PRO A 82 -1.240 -4.145 10.480 1.00 0.00 N ATOM 1234 CA PRO A 82 -0.699 -4.372 9.133 1.00 0.00 C ATOM 1235 C PRO A 82 -0.984 -3.193 8.207 1.00 0.00 C ATOM 1236 O PRO A 82 -2.131 -2.772 8.064 1.00 0.00 O ATOM 1237 CB PRO A 82 -1.439 -5.624 8.648 1.00 0.00 C ATOM 1238 CG PRO A 82 -1.920 -6.293 9.889 1.00 0.00 C ATOM 1239 CD PRO A 82 -2.202 -5.192 10.869 1.00 0.00 C ATOM 0 HA PRO A 82 0.385 -4.487 9.140 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -2.270 -5.362 7.993 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -0.778 -6.277 8.078 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -2.817 -6.880 9.693 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -1.168 -6.979 10.279 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -3.231 -4.841 10.796 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -2.049 -5.519 11.898 1.00 0.00 H new ATOM 1247 N ALA A 83 0.062 -2.650 7.594 1.00 0.00 N ATOM 1248 CA ALA A 83 -0.092 -1.507 6.702 1.00 0.00 C ATOM 1249 C ALA A 83 0.013 -1.896 5.231 1.00 0.00 C ATOM 1250 O ALA A 83 0.470 -2.986 4.887 1.00 0.00 O ATOM 1251 CB ALA A 83 0.947 -0.449 7.032 1.00 0.00 C ATOM 0 H ALA A 83 1.021 -2.981 7.698 1.00 0.00 H new ATOM 0 HA ALA A 83 -1.094 -1.107 6.860 1.00 0.00 H new ATOM 0 HB1 ALA A 83 0.826 0.402 6.361 1.00 0.00 H new ATOM 0 HB2 ALA A 83 0.817 -0.120 8.063 1.00 0.00 H new ATOM 0 HB3 ALA A 83 1.945 -0.869 6.909 1.00 0.00 H new ATOM 1257 N VAL A 84 -0.407 -0.972 4.375 1.00 0.00 N ATOM 1258 CA VAL A 84 -0.370 -1.156 2.930 1.00 0.00 C ATOM 1259 C VAL A 84 0.249 0.076 2.283 1.00 0.00 C ATOM 1260 O VAL A 84 0.003 1.193 2.724 1.00 0.00 O ATOM 1261 CB VAL A 84 -1.785 -1.369 2.356 1.00 0.00 C ATOM 1262 CG1 VAL A 84 -1.730 -1.647 0.863 1.00 0.00 C ATOM 1263 CG2 VAL A 84 -2.495 -2.493 3.092 1.00 0.00 C ATOM 0 H VAL A 84 -0.784 -0.070 4.666 1.00 0.00 H new ATOM 0 HA VAL A 84 0.227 -2.042 2.714 1.00 0.00 H new ATOM 0 HB VAL A 84 -2.354 -0.451 2.503 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -2.741 -1.794 0.483 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -1.269 -0.802 0.352 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -1.140 -2.546 0.682 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -3.492 -2.629 2.673 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -1.926 -3.416 2.982 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -2.577 -2.241 4.149 1.00 0.00 H new ATOM 1273 N TYR A 85 1.069 -0.119 1.258 1.00 0.00 N ATOM 1274 CA TYR A 85 1.717 1.007 0.597 1.00 0.00 C ATOM 1275 C TYR A 85 1.526 0.963 -0.920 1.00 0.00 C ATOM 1276 O TYR A 85 2.469 0.693 -1.665 1.00 0.00 O ATOM 1277 CB TYR A 85 3.210 1.021 0.932 1.00 0.00 C ATOM 1278 CG TYR A 85 3.547 1.666 2.261 1.00 0.00 C ATOM 1279 CD1 TYR A 85 3.013 1.185 3.452 1.00 0.00 C ATOM 1280 CD2 TYR A 85 4.407 2.756 2.324 1.00 0.00 C ATOM 1281 CE1 TYR A 85 3.326 1.773 4.664 1.00 0.00 C ATOM 1282 CE2 TYR A 85 4.726 3.347 3.534 1.00 0.00 C ATOM 1283 CZ TYR A 85 4.182 2.852 4.699 1.00 0.00 C ATOM 1284 OH TYR A 85 4.497 3.436 5.904 1.00 0.00 O ATOM 0 H TYR A 85 1.299 -1.034 0.870 1.00 0.00 H new ATOM 0 HA TYR A 85 1.249 1.920 0.965 1.00 0.00 H new ATOM 0 HB2 TYR A 85 3.579 -0.005 0.936 1.00 0.00 H new ATOM 0 HB3 TYR A 85 3.743 1.548 0.141 1.00 0.00 H new ATOM 0 HD1 TYR A 85 2.343 0.338 3.430 1.00 0.00 H new ATOM 0 HD2 TYR A 85 4.834 3.149 1.413 1.00 0.00 H new ATOM 0 HE1 TYR A 85 2.901 1.388 5.579 1.00 0.00 H new ATOM 0 HE2 TYR A 85 5.398 4.192 3.565 1.00 0.00 H new ATOM 0 HH TYR A 85 3.818 3.199 6.570 1.00 0.00 H new ATOM 1294 N PHE A 86 0.308 1.255 -1.374 1.00 0.00 N ATOM 1295 CA PHE A 86 0.012 1.274 -2.805 1.00 0.00 C ATOM 1296 C PHE A 86 0.415 2.626 -3.384 1.00 0.00 C ATOM 1297 O PHE A 86 -0.379 3.565 -3.396 1.00 0.00 O ATOM 1298 CB PHE A 86 -1.477 1.003 -3.053 1.00 0.00 C ATOM 1299 CG PHE A 86 -1.981 1.488 -4.385 1.00 0.00 C ATOM 1300 CD1 PHE A 86 -1.199 1.374 -5.521 1.00 0.00 C ATOM 1301 CD2 PHE A 86 -3.241 2.053 -4.499 1.00 0.00 C ATOM 1302 CE1 PHE A 86 -1.661 1.814 -6.743 1.00 0.00 C ATOM 1303 CE2 PHE A 86 -3.710 2.496 -5.720 1.00 0.00 C ATOM 1304 CZ PHE A 86 -2.919 2.376 -6.843 1.00 0.00 C ATOM 0 H PHE A 86 -0.486 1.481 -0.775 1.00 0.00 H new ATOM 0 HA PHE A 86 0.581 0.487 -3.299 1.00 0.00 H new ATOM 0 HB2 PHE A 86 -1.656 -0.070 -2.978 1.00 0.00 H new ATOM 0 HB3 PHE A 86 -2.058 1.479 -2.263 1.00 0.00 H new ATOM 0 HD1 PHE A 86 -0.215 0.935 -5.449 1.00 0.00 H new ATOM 0 HD2 PHE A 86 -3.864 2.148 -3.622 1.00 0.00 H new ATOM 0 HE1 PHE A 86 -1.040 1.719 -7.621 1.00 0.00 H new ATOM 0 HE2 PHE A 86 -4.694 2.935 -5.795 1.00 0.00 H new ATOM 0 HZ PHE A 86 -3.283 2.721 -7.800 1.00 0.00 H new ATOM 1314 N VAL A 87 1.661 2.727 -3.828 1.00 0.00 N ATOM 1315 CA VAL A 87 2.172 3.982 -4.361 1.00 0.00 C ATOM 1316 C VAL A 87 2.931 3.799 -5.673 1.00 0.00 C ATOM 1317 O VAL A 87 3.109 2.682 -6.158 1.00 0.00 O ATOM 1318 CB VAL A 87 3.082 4.662 -3.325 1.00 0.00 C ATOM 1319 CG1 VAL A 87 2.363 4.762 -1.993 1.00 0.00 C ATOM 1320 CG2 VAL A 87 4.381 3.900 -3.159 1.00 0.00 C ATOM 0 H VAL A 87 2.333 1.959 -3.830 1.00 0.00 H new ATOM 0 HA VAL A 87 1.309 4.613 -4.572 1.00 0.00 H new ATOM 0 HB VAL A 87 3.320 5.664 -3.683 1.00 0.00 H new ATOM 0 HG11 VAL A 87 3.014 5.245 -1.264 1.00 0.00 H new ATOM 0 HG12 VAL A 87 1.454 5.351 -2.114 1.00 0.00 H new ATOM 0 HG13 VAL A 87 2.105 3.763 -1.643 1.00 0.00 H new ATOM 0 HG21 VAL A 87 5.006 4.403 -2.421 1.00 0.00 H new ATOM 0 HG22 VAL A 87 4.167 2.885 -2.823 1.00 0.00 H new ATOM 0 HG23 VAL A 87 4.906 3.863 -4.114 1.00 0.00 H new ATOM 1330 N MET A 88 3.360 4.917 -6.250 1.00 0.00 N ATOM 1331 CA MET A 88 4.090 4.901 -7.510 1.00 0.00 C ATOM 1332 C MET A 88 5.481 4.300 -7.334 1.00 0.00 C ATOM 1333 O MET A 88 6.102 4.448 -6.283 1.00 0.00 O ATOM 1334 CB MET A 88 4.214 6.319 -8.072 1.00 0.00 C ATOM 1335 CG MET A 88 2.957 6.815 -8.767 1.00 0.00 C ATOM 1336 SD MET A 88 3.177 7.020 -10.545 1.00 0.00 S ATOM 1337 CE MET A 88 2.211 5.645 -11.164 1.00 0.00 C ATOM 0 H MET A 88 3.213 5.849 -5.862 1.00 0.00 H new ATOM 0 HA MET A 88 3.529 4.281 -8.210 1.00 0.00 H new ATOM 0 HB2 MET A 88 4.462 7.002 -7.259 1.00 0.00 H new ATOM 0 HB3 MET A 88 5.044 6.349 -8.778 1.00 0.00 H new ATOM 0 HG2 MET A 88 2.145 6.111 -8.585 1.00 0.00 H new ATOM 0 HG3 MET A 88 2.658 7.768 -8.330 1.00 0.00 H new ATOM 0 HE1 MET A 88 2.100 5.736 -12.245 1.00 0.00 H new ATOM 0 HE2 MET A 88 2.718 4.709 -10.928 1.00 0.00 H new ATOM 0 HE3 MET A 88 1.226 5.652 -10.696 1.00 0.00 H new ATOM 1347 N PRO A 89 5.993 3.617 -8.371 1.00 0.00 N ATOM 1348 CA PRO A 89 7.312 3.004 -8.343 1.00 0.00 C ATOM 1349 C PRO A 89 8.385 3.957 -8.848 1.00 0.00 C ATOM 1350 O PRO A 89 9.232 3.584 -9.660 1.00 0.00 O ATOM 1351 CB PRO A 89 7.147 1.833 -9.304 1.00 0.00 C ATOM 1352 CG PRO A 89 6.146 2.298 -10.313 1.00 0.00 C ATOM 1353 CD PRO A 89 5.328 3.395 -9.664 1.00 0.00 C ATOM 0 HA PRO A 89 7.628 2.719 -7.340 1.00 0.00 H new ATOM 0 HB2 PRO A 89 8.094 1.575 -9.778 1.00 0.00 H new ATOM 0 HB3 PRO A 89 6.798 0.941 -8.783 1.00 0.00 H new ATOM 0 HG2 PRO A 89 6.646 2.670 -11.207 1.00 0.00 H new ATOM 0 HG3 PRO A 89 5.504 1.474 -10.626 1.00 0.00 H new ATOM 0 HD2 PRO A 89 5.322 4.301 -10.271 1.00 0.00 H new ATOM 0 HD3 PRO A 89 4.289 3.093 -9.532 1.00 0.00 H new ATOM 1361 N THR A 90 8.331 5.193 -8.373 1.00 0.00 N ATOM 1362 CA THR A 90 9.277 6.209 -8.782 1.00 0.00 C ATOM 1363 C THR A 90 10.437 6.307 -7.798 1.00 0.00 C ATOM 1364 O THR A 90 10.299 5.954 -6.627 1.00 0.00 O ATOM 1365 CB THR A 90 8.553 7.545 -8.895 1.00 0.00 C ATOM 1366 OG1 THR A 90 8.045 7.949 -7.636 1.00 0.00 O ATOM 1367 CG2 THR A 90 7.392 7.511 -9.867 1.00 0.00 C ATOM 0 H THR A 90 7.635 5.513 -7.700 1.00 0.00 H new ATOM 0 HA THR A 90 9.695 5.938 -9.752 1.00 0.00 H new ATOM 0 HB THR A 90 9.299 8.249 -9.264 1.00 0.00 H new ATOM 0 HG1 THR A 90 7.453 8.721 -7.755 1.00 0.00 H new ATOM 0 HG21 THR A 90 6.918 8.492 -9.902 1.00 0.00 H new ATOM 0 HG22 THR A 90 7.756 7.248 -10.860 1.00 0.00 H new ATOM 0 HG23 THR A 90 6.665 6.768 -9.539 1.00 0.00 H new ATOM 1375 N GLU A 91 11.580 6.785 -8.285 1.00 0.00 N ATOM 1376 CA GLU A 91 12.777 6.929 -7.455 1.00 0.00 C ATOM 1377 C GLU A 91 12.437 7.520 -6.090 1.00 0.00 C ATOM 1378 O GLU A 91 12.892 7.028 -5.058 1.00 0.00 O ATOM 1379 CB GLU A 91 13.814 7.815 -8.152 1.00 0.00 C ATOM 1380 CG GLU A 91 13.908 7.589 -9.652 1.00 0.00 C ATOM 1381 CD GLU A 91 15.331 7.669 -10.166 1.00 0.00 C ATOM 1382 OE1 GLU A 91 16.255 7.282 -9.421 1.00 0.00 O ATOM 1383 OE2 GLU A 91 15.523 8.118 -11.316 1.00 0.00 O ATOM 0 H GLU A 91 11.704 7.080 -9.253 1.00 0.00 H new ATOM 0 HA GLU A 91 13.195 5.933 -7.309 1.00 0.00 H new ATOM 0 HB2 GLU A 91 13.568 8.860 -7.967 1.00 0.00 H new ATOM 0 HB3 GLU A 91 14.792 7.634 -7.705 1.00 0.00 H new ATOM 0 HG2 GLU A 91 13.492 6.611 -9.895 1.00 0.00 H new ATOM 0 HG3 GLU A 91 13.298 8.331 -10.166 1.00 0.00 H new ATOM 1390 N GLU A 92 11.635 8.579 -6.096 1.00 0.00 N ATOM 1391 CA GLU A 92 11.237 9.235 -4.857 1.00 0.00 C ATOM 1392 C GLU A 92 10.454 8.281 -3.961 1.00 0.00 C ATOM 1393 O GLU A 92 10.630 8.280 -2.743 1.00 0.00 O ATOM 1394 CB GLU A 92 10.401 10.483 -5.152 1.00 0.00 C ATOM 1395 CG GLU A 92 9.350 10.272 -6.228 1.00 0.00 C ATOM 1396 CD GLU A 92 7.944 10.556 -5.738 1.00 0.00 C ATOM 1397 OE1 GLU A 92 7.564 11.745 -5.682 1.00 0.00 O ATOM 1398 OE2 GLU A 92 7.222 9.590 -5.411 1.00 0.00 O ATOM 0 H GLU A 92 11.249 9.000 -6.941 1.00 0.00 H new ATOM 0 HA GLU A 92 12.144 9.535 -4.332 1.00 0.00 H new ATOM 0 HB2 GLU A 92 9.909 10.806 -4.234 1.00 0.00 H new ATOM 0 HB3 GLU A 92 11.065 11.291 -5.459 1.00 0.00 H new ATOM 0 HG2 GLU A 92 9.571 10.918 -7.078 1.00 0.00 H new ATOM 0 HG3 GLU A 92 9.404 9.244 -6.586 1.00 0.00 H new ATOM 1405 N ASN A 93 9.595 7.463 -4.564 1.00 0.00 N ATOM 1406 CA ASN A 93 8.803 6.508 -3.799 1.00 0.00 C ATOM 1407 C ASN A 93 9.700 5.439 -3.189 1.00 0.00 C ATOM 1408 O ASN A 93 9.483 5.003 -2.059 1.00 0.00 O ATOM 1409 CB ASN A 93 7.729 5.858 -4.672 1.00 0.00 C ATOM 1410 CG ASN A 93 6.332 6.275 -4.260 1.00 0.00 C ATOM 1411 OD1 ASN A 93 5.944 6.131 -3.100 1.00 0.00 O ATOM 1412 ND2 ASN A 93 5.567 6.798 -5.208 1.00 0.00 N ATOM 0 H ASN A 93 9.431 7.443 -5.571 1.00 0.00 H new ATOM 0 HA ASN A 93 8.306 7.053 -2.996 1.00 0.00 H new ATOM 0 HB2 ASN A 93 7.896 6.130 -5.714 1.00 0.00 H new ATOM 0 HB3 ASN A 93 7.817 4.773 -4.608 1.00 0.00 H new ATOM 0 HD21 ASN A 93 4.617 7.099 -4.989 1.00 0.00 H new ATOM 0 HD22 ASN A 93 5.928 6.899 -6.157 1.00 0.00 H new ATOM 1419 N ILE A 94 10.715 5.029 -3.941 1.00 0.00 N ATOM 1420 CA ILE A 94 11.651 4.020 -3.466 1.00 0.00 C ATOM 1421 C ILE A 94 12.301 4.470 -2.164 1.00 0.00 C ATOM 1422 O ILE A 94 12.513 3.670 -1.251 1.00 0.00 O ATOM 1423 CB ILE A 94 12.748 3.720 -4.512 1.00 0.00 C ATOM 1424 CG1 ILE A 94 12.157 3.627 -5.927 1.00 0.00 C ATOM 1425 CG2 ILE A 94 13.485 2.439 -4.157 1.00 0.00 C ATOM 1426 CD1 ILE A 94 10.821 2.914 -6.002 1.00 0.00 C ATOM 0 H ILE A 94 10.909 5.379 -4.879 1.00 0.00 H new ATOM 0 HA ILE A 94 11.083 3.106 -3.295 1.00 0.00 H new ATOM 0 HB ILE A 94 13.459 4.546 -4.500 1.00 0.00 H new ATOM 0 HG12 ILE A 94 12.040 4.635 -6.326 1.00 0.00 H new ATOM 0 HG13 ILE A 94 12.868 3.110 -6.571 1.00 0.00 H new ATOM 0 HG21 ILE A 94 14.254 2.243 -4.904 1.00 0.00 H new ATOM 0 HG22 ILE A 94 13.950 2.546 -3.177 1.00 0.00 H new ATOM 0 HG23 ILE A 94 12.780 1.608 -4.135 1.00 0.00 H new ATOM 0 HD11 ILE A 94 10.477 2.894 -7.036 1.00 0.00 H new ATOM 0 HD12 ILE A 94 10.932 1.893 -5.637 1.00 0.00 H new ATOM 0 HD13 ILE A 94 10.092 3.442 -5.387 1.00 0.00 H new ATOM 1438 N ASP A 95 12.593 5.765 -2.076 1.00 0.00 N ATOM 1439 CA ASP A 95 13.195 6.328 -0.877 1.00 0.00 C ATOM 1440 C ASP A 95 12.176 6.361 0.257 1.00 0.00 C ATOM 1441 O ASP A 95 12.533 6.271 1.432 1.00 0.00 O ATOM 1442 CB ASP A 95 13.720 7.738 -1.155 1.00 0.00 C ATOM 1443 CG ASP A 95 15.088 7.726 -1.809 1.00 0.00 C ATOM 1444 OD1 ASP A 95 15.151 7.623 -3.052 1.00 0.00 O ATOM 1445 OD2 ASP A 95 16.097 7.822 -1.079 1.00 0.00 O ATOM 0 H ASP A 95 12.422 6.441 -2.821 1.00 0.00 H new ATOM 0 HA ASP A 95 14.033 5.697 -0.580 1.00 0.00 H new ATOM 0 HB2 ASP A 95 13.016 8.264 -1.800 1.00 0.00 H new ATOM 0 HB3 ASP A 95 13.772 8.295 -0.219 1.00 0.00 H new ATOM 1450 N ARG A 96 10.901 6.485 -0.108 1.00 0.00 N ATOM 1451 CA ARG A 96 9.823 6.523 0.871 1.00 0.00 C ATOM 1452 C ARG A 96 9.700 5.181 1.584 1.00 0.00 C ATOM 1453 O ARG A 96 9.463 5.126 2.791 1.00 0.00 O ATOM 1454 CB ARG A 96 8.499 6.879 0.191 1.00 0.00 C ATOM 1455 CG ARG A 96 8.516 8.231 -0.503 1.00 0.00 C ATOM 1456 CD ARG A 96 7.901 9.315 0.369 1.00 0.00 C ATOM 1457 NE ARG A 96 7.001 10.181 -0.390 1.00 0.00 N ATOM 1458 CZ ARG A 96 7.408 11.030 -1.332 1.00 0.00 C ATOM 1459 NH1 ARG A 96 8.697 11.129 -1.635 1.00 0.00 N ATOM 1460 NH2 ARG A 96 6.523 11.781 -1.974 1.00 0.00 N ATOM 0 H ARG A 96 10.592 6.561 -1.077 1.00 0.00 H new ATOM 0 HA ARG A 96 10.057 7.290 1.609 1.00 0.00 H new ATOM 0 HB2 ARG A 96 8.257 6.108 -0.540 1.00 0.00 H new ATOM 0 HB3 ARG A 96 7.704 6.873 0.937 1.00 0.00 H new ATOM 0 HG2 ARG A 96 9.543 8.501 -0.750 1.00 0.00 H new ATOM 0 HG3 ARG A 96 7.968 8.165 -1.443 1.00 0.00 H new ATOM 0 HD2 ARG A 96 7.353 8.853 1.190 1.00 0.00 H new ATOM 0 HD3 ARG A 96 8.694 9.916 0.814 1.00 0.00 H new ATOM 0 HE ARG A 96 6.003 10.132 -0.186 1.00 0.00 H new ATOM 0 HH11 ARG A 96 9.382 10.553 -1.145 1.00 0.00 H new ATOM 0 HH12 ARG A 96 9.002 11.781 -2.357 1.00 0.00 H new ATOM 0 HH21 ARG A 96 5.531 11.708 -1.746 1.00 0.00 H new ATOM 0 HH22 ARG A 96 6.834 12.431 -2.696 1.00 0.00 H new ATOM 1474 N LEU A 97 9.870 4.096 0.831 1.00 0.00 N ATOM 1475 CA LEU A 97 9.787 2.756 1.397 1.00 0.00 C ATOM 1476 C LEU A 97 10.852 2.568 2.467 1.00 0.00 C ATOM 1477 O LEU A 97 10.561 2.128 3.579 1.00 0.00 O ATOM 1478 CB LEU A 97 9.952 1.702 0.299 1.00 0.00 C ATOM 1479 CG LEU A 97 8.692 1.412 -0.520 1.00 0.00 C ATOM 1480 CD1 LEU A 97 7.507 1.138 0.395 1.00 0.00 C ATOM 1481 CD2 LEU A 97 8.388 2.572 -1.455 1.00 0.00 C ATOM 0 H LEU A 97 10.065 4.121 -0.170 1.00 0.00 H new ATOM 0 HA LEU A 97 8.805 2.634 1.854 1.00 0.00 H new ATOM 0 HB2 LEU A 97 10.740 2.028 -0.380 1.00 0.00 H new ATOM 0 HB3 LEU A 97 10.290 0.773 0.757 1.00 0.00 H new ATOM 0 HG LEU A 97 8.871 0.521 -1.122 1.00 0.00 H new ATOM 0 HD11 LEU A 97 6.622 0.934 -0.207 1.00 0.00 H new ATOM 0 HD12 LEU A 97 7.725 0.275 1.024 1.00 0.00 H new ATOM 0 HD13 LEU A 97 7.325 2.009 1.025 1.00 0.00 H new ATOM 0 HD21 LEU A 97 7.489 2.350 -2.030 1.00 0.00 H new ATOM 0 HD22 LEU A 97 8.230 3.479 -0.871 1.00 0.00 H new ATOM 0 HD23 LEU A 97 9.227 2.720 -2.135 1.00 0.00 H new ATOM 1493 N CYS A 98 12.087 2.918 2.128 1.00 0.00 N ATOM 1494 CA CYS A 98 13.195 2.801 3.065 1.00 0.00 C ATOM 1495 C CYS A 98 13.023 3.770 4.230 1.00 0.00 C ATOM 1496 O CYS A 98 13.564 3.554 5.315 1.00 0.00 O ATOM 1497 CB CYS A 98 14.520 3.058 2.348 1.00 0.00 C ATOM 1498 SG CYS A 98 15.977 2.905 3.408 1.00 0.00 S ATOM 0 H CYS A 98 12.345 3.285 1.212 1.00 0.00 H new ATOM 0 HA CYS A 98 13.203 1.787 3.465 1.00 0.00 H new ATOM 0 HB2 CYS A 98 14.613 2.358 1.518 1.00 0.00 H new ATOM 0 HB3 CYS A 98 14.500 4.060 1.919 1.00 0.00 H new ATOM 0 HG CYS A 98 17.048 3.139 2.710 1.00 0.00 H new ATOM 1504 N GLN A 99 12.257 4.832 4.002 1.00 0.00 N ATOM 1505 CA GLN A 99 12.004 5.825 5.037 1.00 0.00 C ATOM 1506 C GLN A 99 10.984 5.300 6.041 1.00 0.00 C ATOM 1507 O GLN A 99 11.191 5.386 7.251 1.00 0.00 O ATOM 1508 CB GLN A 99 11.505 7.130 4.411 1.00 0.00 C ATOM 1509 CG GLN A 99 12.573 8.208 4.331 1.00 0.00 C ATOM 1510 CD GLN A 99 12.954 8.549 2.903 1.00 0.00 C ATOM 1511 OE1 GLN A 99 12.132 9.040 2.129 1.00 0.00 O ATOM 1512 NE2 GLN A 99 14.207 8.291 2.548 1.00 0.00 N ATOM 0 H GLN A 99 11.802 5.026 3.110 1.00 0.00 H new ATOM 0 HA GLN A 99 12.939 6.023 5.562 1.00 0.00 H new ATOM 0 HB2 GLN A 99 11.132 6.924 3.408 1.00 0.00 H new ATOM 0 HB3 GLN A 99 10.663 7.505 4.993 1.00 0.00 H new ATOM 0 HG2 GLN A 99 12.214 9.107 4.832 1.00 0.00 H new ATOM 0 HG3 GLN A 99 13.460 7.876 4.870 1.00 0.00 H new ATOM 0 HE21 GLN A 99 14.855 7.884 3.223 1.00 0.00 H new ATOM 0 HE22 GLN A 99 14.522 8.500 1.601 1.00 0.00 H new ATOM 1521 N ASP A 100 9.884 4.751 5.532 1.00 0.00 N ATOM 1522 CA ASP A 100 8.836 4.211 6.388 1.00 0.00 C ATOM 1523 C ASP A 100 9.228 2.838 6.928 1.00 0.00 C ATOM 1524 O ASP A 100 8.812 2.446 8.019 1.00 0.00 O ATOM 1525 CB ASP A 100 7.520 4.114 5.611 1.00 0.00 C ATOM 1526 CG ASP A 100 7.564 3.062 4.519 1.00 0.00 C ATOM 1527 OD1 ASP A 100 7.710 1.867 4.851 1.00 0.00 O ATOM 1528 OD2 ASP A 100 7.453 3.434 3.333 1.00 0.00 O ATOM 0 H ASP A 100 9.697 4.669 4.533 1.00 0.00 H new ATOM 0 HA ASP A 100 8.703 4.886 7.233 1.00 0.00 H new ATOM 0 HB2 ASP A 100 6.710 3.881 6.303 1.00 0.00 H new ATOM 0 HB3 ASP A 100 7.292 5.083 5.168 1.00 0.00 H new ATOM 1533 N LEU A 101 10.032 2.112 6.157 1.00 0.00 N ATOM 1534 CA LEU A 101 10.482 0.784 6.555 1.00 0.00 C ATOM 1535 C LEU A 101 11.370 0.853 7.792 1.00 0.00 C ATOM 1536 O LEU A 101 11.307 -0.015 8.663 1.00 0.00 O ATOM 1537 CB LEU A 101 11.244 0.118 5.407 1.00 0.00 C ATOM 1538 CG LEU A 101 10.367 -0.503 4.319 1.00 0.00 C ATOM 1539 CD1 LEU A 101 11.189 -0.779 3.068 1.00 0.00 C ATOM 1540 CD2 LEU A 101 9.715 -1.782 4.825 1.00 0.00 C ATOM 0 H LEU A 101 10.385 2.422 5.252 1.00 0.00 H new ATOM 0 HA LEU A 101 9.601 0.189 6.797 1.00 0.00 H new ATOM 0 HB2 LEU A 101 11.896 0.860 4.946 1.00 0.00 H new ATOM 0 HB3 LEU A 101 11.887 -0.659 5.821 1.00 0.00 H new ATOM 0 HG LEU A 101 9.579 0.205 4.064 1.00 0.00 H new ATOM 0 HD11 LEU A 101 10.550 -1.221 2.303 1.00 0.00 H new ATOM 0 HD12 LEU A 101 11.609 0.155 2.695 1.00 0.00 H new ATOM 0 HD13 LEU A 101 11.997 -1.469 3.309 1.00 0.00 H new ATOM 0 HD21 LEU A 101 9.095 -2.210 4.038 1.00 0.00 H new ATOM 0 HD22 LEU A 101 10.488 -2.497 5.108 1.00 0.00 H new ATOM 0 HD23 LEU A 101 9.095 -1.556 5.693 1.00 0.00 H new ATOM 1552 N ARG A 102 12.200 1.888 7.863 1.00 0.00 N ATOM 1553 CA ARG A 102 13.104 2.066 8.994 1.00 0.00 C ATOM 1554 C ARG A 102 12.366 2.645 10.196 1.00 0.00 C ATOM 1555 O ARG A 102 12.678 2.323 11.343 1.00 0.00 O ATOM 1556 CB ARG A 102 14.267 2.982 8.605 1.00 0.00 C ATOM 1557 CG ARG A 102 15.469 2.234 8.052 1.00 0.00 C ATOM 1558 CD ARG A 102 16.687 3.139 7.949 1.00 0.00 C ATOM 1559 NE ARG A 102 16.717 3.876 6.688 1.00 0.00 N ATOM 1560 CZ ARG A 102 17.814 4.437 6.183 1.00 0.00 C ATOM 1561 NH1 ARG A 102 18.972 4.347 6.828 1.00 0.00 N ATOM 1562 NH2 ARG A 102 17.754 5.089 5.031 1.00 0.00 N ATOM 0 H ARG A 102 12.266 2.616 7.152 1.00 0.00 H new ATOM 0 HA ARG A 102 13.497 1.087 9.270 1.00 0.00 H new ATOM 0 HB2 ARG A 102 13.921 3.699 7.860 1.00 0.00 H new ATOM 0 HB3 ARG A 102 14.576 3.555 9.479 1.00 0.00 H new ATOM 0 HG2 ARG A 102 15.698 1.385 8.696 1.00 0.00 H new ATOM 0 HG3 ARG A 102 15.228 1.832 7.068 1.00 0.00 H new ATOM 0 HD2 ARG A 102 16.686 3.844 8.781 1.00 0.00 H new ATOM 0 HD3 ARG A 102 17.593 2.539 8.040 1.00 0.00 H new ATOM 0 HE ARG A 102 15.847 3.966 6.164 1.00 0.00 H new ATOM 0 HH11 ARG A 102 19.024 3.846 7.715 1.00 0.00 H new ATOM 0 HH12 ARG A 102 19.809 4.779 6.436 1.00 0.00 H new ATOM 0 HH21 ARG A 102 16.868 5.161 4.531 1.00 0.00 H new ATOM 0 HH22 ARG A 102 18.594 5.519 4.644 1.00 0.00 H new ATOM 1576 N ASN A 103 11.384 3.500 9.926 1.00 0.00 N ATOM 1577 CA ASN A 103 10.601 4.121 10.987 1.00 0.00 C ATOM 1578 C ASN A 103 9.784 3.079 11.744 1.00 0.00 C ATOM 1579 O ASN A 103 9.454 3.265 12.915 1.00 0.00 O ATOM 1580 CB ASN A 103 9.667 5.185 10.407 1.00 0.00 C ATOM 1581 CG ASN A 103 10.419 6.304 9.716 1.00 0.00 C ATOM 1582 OD1 ASN A 103 11.559 6.610 10.065 1.00 0.00 O ATOM 1583 ND2 ASN A 103 9.781 6.924 8.730 1.00 0.00 N ATOM 0 H ASN A 103 11.113 3.778 8.983 1.00 0.00 H new ATOM 0 HA ASN A 103 11.295 4.593 11.683 1.00 0.00 H new ATOM 0 HB2 ASN A 103 8.985 4.717 9.697 1.00 0.00 H new ATOM 0 HB3 ASN A 103 9.056 5.602 11.207 1.00 0.00 H new ATOM 0 HD21 ASN A 103 10.236 7.687 8.229 1.00 0.00 H new ATOM 0 HD22 ASN A 103 8.836 6.637 8.474 1.00 0.00 H new ATOM 1590 N GLN A 104 9.453 1.984 11.066 1.00 0.00 N ATOM 1591 CA GLN A 104 8.668 0.919 11.677 1.00 0.00 C ATOM 1592 C GLN A 104 7.307 1.447 12.117 1.00 0.00 C ATOM 1593 O GLN A 104 6.799 1.082 13.177 1.00 0.00 O ATOM 1594 CB GLN A 104 9.415 0.328 12.875 1.00 0.00 C ATOM 1595 CG GLN A 104 10.739 -0.322 12.506 1.00 0.00 C ATOM 1596 CD GLN A 104 11.808 -0.105 13.558 1.00 0.00 C ATOM 1597 OE1 GLN A 104 12.443 -1.054 14.020 1.00 0.00 O ATOM 1598 NE2 GLN A 104 12.014 1.149 13.943 1.00 0.00 N ATOM 0 H GLN A 104 9.716 1.812 10.096 1.00 0.00 H new ATOM 0 HA GLN A 104 8.516 0.134 10.936 1.00 0.00 H new ATOM 0 HB2 GLN A 104 9.598 1.117 13.604 1.00 0.00 H new ATOM 0 HB3 GLN A 104 8.779 -0.412 13.360 1.00 0.00 H new ATOM 0 HG2 GLN A 104 10.587 -1.392 12.363 1.00 0.00 H new ATOM 0 HG3 GLN A 104 11.084 0.081 11.554 1.00 0.00 H new ATOM 0 HE21 GLN A 104 11.465 1.905 13.534 1.00 0.00 H new ATOM 0 HE22 GLN A 104 12.721 1.356 14.648 1.00 0.00 H new ATOM 1607 N LEU A 105 6.725 2.313 11.292 1.00 0.00 N ATOM 1608 CA LEU A 105 5.425 2.903 11.591 1.00 0.00 C ATOM 1609 C LEU A 105 4.368 1.821 11.786 1.00 0.00 C ATOM 1610 O LEU A 105 3.604 1.856 12.747 1.00 0.00 O ATOM 1611 CB LEU A 105 5.006 3.854 10.463 1.00 0.00 C ATOM 1612 CG LEU A 105 5.977 5.006 10.198 1.00 0.00 C ATOM 1613 CD1 LEU A 105 5.757 5.582 8.808 1.00 0.00 C ATOM 1614 CD2 LEU A 105 5.823 6.087 11.257 1.00 0.00 C ATOM 0 H LEU A 105 7.134 2.622 10.410 1.00 0.00 H new ATOM 0 HA LEU A 105 5.511 3.467 12.520 1.00 0.00 H new ATOM 0 HB2 LEU A 105 4.890 3.277 9.545 1.00 0.00 H new ATOM 0 HB3 LEU A 105 4.028 4.271 10.703 1.00 0.00 H new ATOM 0 HG LEU A 105 6.994 4.617 10.250 1.00 0.00 H new ATOM 0 HD11 LEU A 105 6.457 6.400 8.638 1.00 0.00 H new ATOM 0 HD12 LEU A 105 5.920 4.804 8.062 1.00 0.00 H new ATOM 0 HD13 LEU A 105 4.736 5.955 8.726 1.00 0.00 H new ATOM 0 HD21 LEU A 105 6.521 6.899 11.053 1.00 0.00 H new ATOM 0 HD22 LEU A 105 4.804 6.472 11.238 1.00 0.00 H new ATOM 0 HD23 LEU A 105 6.034 5.666 12.240 1.00 0.00 H new ATOM 1626 N TYR A 106 4.327 0.865 10.867 1.00 0.00 N ATOM 1627 CA TYR A 106 3.354 -0.221 10.939 1.00 0.00 C ATOM 1628 C TYR A 106 4.040 -1.585 10.930 1.00 0.00 C ATOM 1629 O TYR A 106 5.235 -1.688 10.653 1.00 0.00 O ATOM 1630 CB TYR A 106 2.371 -0.106 9.773 1.00 0.00 C ATOM 1631 CG TYR A 106 1.971 1.324 9.479 1.00 0.00 C ATOM 1632 CD1 TYR A 106 2.834 2.181 8.810 1.00 0.00 C ATOM 1633 CD2 TYR A 106 0.740 1.819 9.884 1.00 0.00 C ATOM 1634 CE1 TYR A 106 2.481 3.489 8.549 1.00 0.00 C ATOM 1635 CE2 TYR A 106 0.379 3.131 9.627 1.00 0.00 C ATOM 1636 CZ TYR A 106 1.255 3.961 8.958 1.00 0.00 C ATOM 1637 OH TYR A 106 0.901 5.266 8.696 1.00 0.00 O ATOM 0 H TYR A 106 4.954 0.818 10.064 1.00 0.00 H new ATOM 0 HA TYR A 106 2.810 -0.136 11.880 1.00 0.00 H new ATOM 0 HB2 TYR A 106 2.820 -0.543 8.881 1.00 0.00 H new ATOM 0 HB3 TYR A 106 1.478 -0.689 9.998 1.00 0.00 H new ATOM 0 HD1 TYR A 106 3.799 1.818 8.488 1.00 0.00 H new ATOM 0 HD2 TYR A 106 0.053 1.171 10.408 1.00 0.00 H new ATOM 0 HE1 TYR A 106 3.165 4.140 8.025 1.00 0.00 H new ATOM 0 HE2 TYR A 106 -0.583 3.502 9.948 1.00 0.00 H new ATOM 0 HH TYR A 106 1.040 5.810 9.499 1.00 0.00 H new ATOM 1647 N GLU A 107 3.277 -2.629 11.247 1.00 0.00 N ATOM 1648 CA GLU A 107 3.814 -3.988 11.289 1.00 0.00 C ATOM 1649 C GLU A 107 4.057 -4.538 9.888 1.00 0.00 C ATOM 1650 O GLU A 107 5.126 -5.075 9.600 1.00 0.00 O ATOM 1651 CB GLU A 107 2.856 -4.914 12.043 1.00 0.00 C ATOM 1652 CG GLU A 107 3.561 -5.946 12.910 1.00 0.00 C ATOM 1653 CD GLU A 107 4.406 -5.316 14.000 1.00 0.00 C ATOM 1654 OE1 GLU A 107 5.532 -4.869 13.695 1.00 0.00 O ATOM 1655 OE2 GLU A 107 3.943 -5.271 15.158 1.00 0.00 O ATOM 0 H GLU A 107 2.286 -2.560 11.478 1.00 0.00 H new ATOM 0 HA GLU A 107 4.770 -3.947 11.811 1.00 0.00 H new ATOM 0 HB2 GLU A 107 2.201 -4.311 12.671 1.00 0.00 H new ATOM 0 HB3 GLU A 107 2.221 -5.430 11.323 1.00 0.00 H new ATOM 0 HG2 GLU A 107 2.818 -6.601 13.365 1.00 0.00 H new ATOM 0 HG3 GLU A 107 4.194 -6.571 12.281 1.00 0.00 H new ATOM 1662 N SER A 108 3.058 -4.409 9.023 1.00 0.00 N ATOM 1663 CA SER A 108 3.166 -4.903 7.656 1.00 0.00 C ATOM 1664 C SER A 108 3.373 -3.753 6.676 1.00 0.00 C ATOM 1665 O SER A 108 3.329 -2.584 7.057 1.00 0.00 O ATOM 1666 CB SER A 108 1.914 -5.702 7.278 1.00 0.00 C ATOM 1667 OG SER A 108 1.027 -4.932 6.483 1.00 0.00 O ATOM 0 H SER A 108 2.165 -3.967 9.244 1.00 0.00 H new ATOM 0 HA SER A 108 4.034 -5.560 7.600 1.00 0.00 H new ATOM 0 HB2 SER A 108 2.205 -6.601 6.734 1.00 0.00 H new ATOM 0 HB3 SER A 108 1.402 -6.029 8.183 1.00 0.00 H new ATOM 0 HG SER A 108 0.239 -5.470 6.257 1.00 0.00 H new ATOM 1673 N TYR A 109 3.597 -4.096 5.413 1.00 0.00 N ATOM 1674 CA TYR A 109 3.811 -3.093 4.378 1.00 0.00 C ATOM 1675 C TYR A 109 3.391 -3.614 3.005 1.00 0.00 C ATOM 1676 O TYR A 109 4.224 -3.780 2.114 1.00 0.00 O ATOM 1677 CB TYR A 109 5.280 -2.670 4.346 1.00 0.00 C ATOM 1678 CG TYR A 109 5.730 -1.930 5.586 1.00 0.00 C ATOM 1679 CD1 TYR A 109 5.533 -0.560 5.711 1.00 0.00 C ATOM 1680 CD2 TYR A 109 6.354 -2.601 6.629 1.00 0.00 C ATOM 1681 CE1 TYR A 109 5.946 0.120 6.842 1.00 0.00 C ATOM 1682 CE2 TYR A 109 6.768 -1.930 7.763 1.00 0.00 C ATOM 1683 CZ TYR A 109 6.563 -0.570 7.865 1.00 0.00 C ATOM 1684 OH TYR A 109 6.976 0.104 8.992 1.00 0.00 O ATOM 0 H TYR A 109 3.635 -5.060 5.082 1.00 0.00 H new ATOM 0 HA TYR A 109 3.192 -2.229 4.619 1.00 0.00 H new ATOM 0 HB2 TYR A 109 5.901 -3.557 4.218 1.00 0.00 H new ATOM 0 HB3 TYR A 109 5.447 -2.036 3.475 1.00 0.00 H new ATOM 0 HD1 TYR A 109 5.050 -0.018 4.912 1.00 0.00 H new ATOM 0 HD2 TYR A 109 6.518 -3.666 6.552 1.00 0.00 H new ATOM 0 HE1 TYR A 109 5.786 1.185 6.924 1.00 0.00 H new ATOM 0 HE2 TYR A 109 7.250 -2.468 8.566 1.00 0.00 H new ATOM 0 HH TYR A 109 6.566 -0.301 9.784 1.00 0.00 H new ATOM 1694 N TYR A 110 2.093 -3.856 2.834 1.00 0.00 N ATOM 1695 CA TYR A 110 1.566 -4.339 1.560 1.00 0.00 C ATOM 1696 C TYR A 110 1.879 -3.332 0.458 1.00 0.00 C ATOM 1697 O TYR A 110 1.079 -2.444 0.172 1.00 0.00 O ATOM 1698 CB TYR A 110 0.051 -4.553 1.666 1.00 0.00 C ATOM 1699 CG TYR A 110 -0.554 -5.344 0.523 1.00 0.00 C ATOM 1700 CD1 TYR A 110 -0.457 -4.900 -0.791 1.00 0.00 C ATOM 1701 CD2 TYR A 110 -1.234 -6.533 0.763 1.00 0.00 C ATOM 1702 CE1 TYR A 110 -1.019 -5.617 -1.831 1.00 0.00 C ATOM 1703 CE2 TYR A 110 -1.798 -7.256 -0.272 1.00 0.00 C ATOM 1704 CZ TYR A 110 -1.687 -6.794 -1.566 1.00 0.00 C ATOM 1705 OH TYR A 110 -2.248 -7.510 -2.598 1.00 0.00 O ATOM 0 H TYR A 110 1.388 -3.726 3.560 1.00 0.00 H new ATOM 0 HA TYR A 110 2.038 -5.291 1.315 1.00 0.00 H new ATOM 0 HB2 TYR A 110 -0.166 -5.068 2.602 1.00 0.00 H new ATOM 0 HB3 TYR A 110 -0.438 -3.580 1.717 1.00 0.00 H new ATOM 0 HD1 TYR A 110 0.066 -3.979 -1.003 1.00 0.00 H new ATOM 0 HD2 TYR A 110 -1.323 -6.898 1.775 1.00 0.00 H new ATOM 0 HE1 TYR A 110 -0.935 -5.257 -2.846 1.00 0.00 H new ATOM 0 HE2 TYR A 110 -2.323 -8.178 -0.068 1.00 0.00 H new ATOM 0 HH TYR A 110 -2.680 -8.314 -2.241 1.00 0.00 H new ATOM 1715 N LEU A 111 3.056 -3.461 -0.144 1.00 0.00 N ATOM 1716 CA LEU A 111 3.477 -2.543 -1.196 1.00 0.00 C ATOM 1717 C LEU A 111 2.716 -2.796 -2.492 1.00 0.00 C ATOM 1718 O LEU A 111 2.308 -3.920 -2.781 1.00 0.00 O ATOM 1719 CB LEU A 111 4.984 -2.661 -1.437 1.00 0.00 C ATOM 1720 CG LEU A 111 5.853 -2.557 -0.182 1.00 0.00 C ATOM 1721 CD1 LEU A 111 7.329 -2.553 -0.547 1.00 0.00 C ATOM 1722 CD2 LEU A 111 5.502 -1.310 0.608 1.00 0.00 C ATOM 0 H LEU A 111 3.734 -4.190 0.078 1.00 0.00 H new ATOM 0 HA LEU A 111 3.249 -1.530 -0.864 1.00 0.00 H new ATOM 0 HB2 LEU A 111 5.185 -3.617 -1.921 1.00 0.00 H new ATOM 0 HB3 LEU A 111 5.287 -1.881 -2.135 1.00 0.00 H new ATOM 0 HG LEU A 111 5.655 -3.430 0.440 1.00 0.00 H new ATOM 0 HD11 LEU A 111 7.928 -2.478 0.361 1.00 0.00 H new ATOM 0 HD12 LEU A 111 7.577 -3.476 -1.070 1.00 0.00 H new ATOM 0 HD13 LEU A 111 7.542 -1.701 -1.193 1.00 0.00 H new ATOM 0 HD21 LEU A 111 6.130 -1.253 1.497 1.00 0.00 H new ATOM 0 HD22 LEU A 111 5.669 -0.428 -0.011 1.00 0.00 H new ATOM 0 HD23 LEU A 111 4.454 -1.351 0.906 1.00 0.00 H new ATOM 1734 N ASN A 112 2.531 -1.733 -3.267 1.00 0.00 N ATOM 1735 CA ASN A 112 1.823 -1.818 -4.538 1.00 0.00 C ATOM 1736 C ASN A 112 2.257 -0.689 -5.465 1.00 0.00 C ATOM 1737 O ASN A 112 2.090 0.488 -5.145 1.00 0.00 O ATOM 1738 CB ASN A 112 0.311 -1.762 -4.307 1.00 0.00 C ATOM 1739 CG ASN A 112 -0.433 -2.834 -5.079 1.00 0.00 C ATOM 1740 OD1 ASN A 112 -0.010 -3.077 -6.314 1.00 0.00 O flip ATOM 1741 ND2 ASN A 112 -1.378 -3.438 -4.570 1.00 0.00 N flip ATOM 0 H ASN A 112 2.864 -0.797 -3.035 1.00 0.00 H new ATOM 0 HA ASN A 112 2.070 -2.769 -5.010 1.00 0.00 H new ATOM 0 HB2 ASN A 112 0.105 -1.876 -3.243 1.00 0.00 H new ATOM 0 HB3 ASN A 112 -0.062 -0.781 -4.601 1.00 0.00 H new ATOM 0 HD21 ASN A 112 -1.670 -3.219 -3.617 1.00 0.00 H new ATOM 0 HD22 ASN A 112 -1.869 -4.157 -5.101 1.00 0.00 H new ATOM 1748 N PHE A 113 2.824 -1.054 -6.608 1.00 0.00 N ATOM 1749 CA PHE A 113 3.296 -0.070 -7.575 1.00 0.00 C ATOM 1750 C PHE A 113 2.317 0.085 -8.734 1.00 0.00 C ATOM 1751 O PHE A 113 1.884 -0.902 -9.326 1.00 0.00 O ATOM 1752 CB PHE A 113 4.672 -0.473 -8.106 1.00 0.00 C ATOM 1753 CG PHE A 113 5.750 -0.443 -7.060 1.00 0.00 C ATOM 1754 CD1 PHE A 113 5.953 0.691 -6.291 1.00 0.00 C ATOM 1755 CD2 PHE A 113 6.560 -1.546 -6.848 1.00 0.00 C ATOM 1756 CE1 PHE A 113 6.945 0.725 -5.329 1.00 0.00 C ATOM 1757 CE2 PHE A 113 7.553 -1.520 -5.887 1.00 0.00 C ATOM 1758 CZ PHE A 113 7.747 -0.383 -5.127 1.00 0.00 C ATOM 0 H PHE A 113 2.968 -2.024 -6.888 1.00 0.00 H new ATOM 0 HA PHE A 113 3.371 0.891 -7.065 1.00 0.00 H new ATOM 0 HB2 PHE A 113 4.611 -1.477 -8.525 1.00 0.00 H new ATOM 0 HB3 PHE A 113 4.949 0.196 -8.921 1.00 0.00 H new ATOM 0 HD1 PHE A 113 5.329 1.559 -6.445 1.00 0.00 H new ATOM 0 HD2 PHE A 113 6.414 -2.437 -7.441 1.00 0.00 H new ATOM 0 HE1 PHE A 113 7.093 1.615 -4.736 1.00 0.00 H new ATOM 0 HE2 PHE A 113 8.177 -2.388 -5.730 1.00 0.00 H new ATOM 0 HZ PHE A 113 8.523 -0.360 -4.377 1.00 0.00 H new ATOM 1768 N ILE A 114 1.979 1.331 -9.058 1.00 0.00 N ATOM 1769 CA ILE A 114 1.053 1.600 -10.166 1.00 0.00 C ATOM 1770 C ILE A 114 1.763 1.487 -11.516 1.00 0.00 C ATOM 1771 O ILE A 114 1.123 1.261 -12.543 1.00 0.00 O ATOM 1772 CB ILE A 114 0.368 2.994 -10.090 1.00 0.00 C ATOM 1773 CG1 ILE A 114 1.009 3.896 -9.026 1.00 0.00 C ATOM 1774 CG2 ILE A 114 -1.127 2.842 -9.841 1.00 0.00 C ATOM 1775 CD1 ILE A 114 0.526 3.634 -7.616 1.00 0.00 C ATOM 0 H ILE A 114 2.324 2.163 -8.579 1.00 0.00 H new ATOM 0 HA ILE A 114 0.276 0.841 -10.072 1.00 0.00 H new ATOM 0 HB ILE A 114 0.515 3.482 -11.054 1.00 0.00 H new ATOM 0 HG12 ILE A 114 2.090 3.764 -9.058 1.00 0.00 H new ATOM 0 HG13 ILE A 114 0.808 4.937 -9.279 1.00 0.00 H new ATOM 0 HG21 ILE A 114 -1.590 3.828 -9.791 1.00 0.00 H new ATOM 0 HG22 ILE A 114 -1.575 2.272 -10.655 1.00 0.00 H new ATOM 0 HG23 ILE A 114 -1.287 2.318 -8.899 1.00 0.00 H new ATOM 0 HD11 ILE A 114 1.028 4.313 -6.927 1.00 0.00 H new ATOM 0 HD12 ILE A 114 -0.551 3.795 -7.564 1.00 0.00 H new ATOM 0 HD13 ILE A 114 0.752 2.604 -7.339 1.00 0.00 H new ATOM 1787 N SER A 115 3.082 1.643 -11.513 1.00 0.00 N ATOM 1788 CA SER A 115 3.862 1.554 -12.743 1.00 0.00 C ATOM 1789 C SER A 115 4.718 0.291 -12.753 1.00 0.00 C ATOM 1790 O SER A 115 4.779 -0.438 -11.764 1.00 0.00 O ATOM 1791 CB SER A 115 4.748 2.793 -12.903 1.00 0.00 C ATOM 1792 OG SER A 115 4.414 3.511 -14.078 1.00 0.00 O ATOM 0 H SER A 115 3.633 1.831 -10.675 1.00 0.00 H new ATOM 0 HA SER A 115 3.168 1.506 -13.582 1.00 0.00 H new ATOM 0 HB2 SER A 115 4.634 3.440 -12.033 1.00 0.00 H new ATOM 0 HB3 SER A 115 5.795 2.493 -12.942 1.00 0.00 H new ATOM 0 HG SER A 115 4.993 4.298 -14.156 1.00 0.00 H new ATOM 1798 N ALA A 116 5.372 0.034 -13.881 1.00 0.00 N ATOM 1799 CA ALA A 116 6.218 -1.145 -14.021 1.00 0.00 C ATOM 1800 C ALA A 116 7.625 -0.888 -13.492 1.00 0.00 C ATOM 1801 O ALA A 116 8.520 -0.497 -14.242 1.00 0.00 O ATOM 1802 CB ALA A 116 6.273 -1.581 -15.477 1.00 0.00 C ATOM 0 H ALA A 116 5.332 0.626 -14.711 1.00 0.00 H new ATOM 0 HA ALA A 116 5.779 -1.945 -13.425 1.00 0.00 H new ATOM 0 HB1 ALA A 116 6.908 -2.462 -15.569 1.00 0.00 H new ATOM 0 HB2 ALA A 116 5.268 -1.820 -15.823 1.00 0.00 H new ATOM 0 HB3 ALA A 116 6.683 -0.773 -16.083 1.00 0.00 H new ATOM 1808 N ILE A 117 7.817 -1.120 -12.196 1.00 0.00 N ATOM 1809 CA ILE A 117 9.119 -0.923 -11.571 1.00 0.00 C ATOM 1810 C ILE A 117 10.133 -1.929 -12.116 1.00 0.00 C ATOM 1811 O ILE A 117 9.756 -2.951 -12.690 1.00 0.00 O ATOM 1812 CB ILE A 117 9.029 -1.053 -10.036 1.00 0.00 C ATOM 1813 CG1 ILE A 117 10.404 -0.838 -9.394 1.00 0.00 C ATOM 1814 CG2 ILE A 117 8.455 -2.408 -9.653 1.00 0.00 C ATOM 1815 CD1 ILE A 117 10.357 -0.649 -7.892 1.00 0.00 C ATOM 0 H ILE A 117 7.088 -1.444 -11.560 1.00 0.00 H new ATOM 0 HA ILE A 117 9.451 0.087 -11.812 1.00 0.00 H new ATOM 0 HB ILE A 117 8.359 -0.280 -9.660 1.00 0.00 H new ATOM 0 HG12 ILE A 117 11.039 -1.694 -9.623 1.00 0.00 H new ATOM 0 HG13 ILE A 117 10.872 0.036 -9.846 1.00 0.00 H new ATOM 0 HG21 ILE A 117 8.398 -2.485 -8.567 1.00 0.00 H new ATOM 0 HG22 ILE A 117 7.457 -2.513 -10.078 1.00 0.00 H new ATOM 0 HG23 ILE A 117 9.099 -3.198 -10.039 1.00 0.00 H new ATOM 0 HD11 ILE A 117 11.368 -0.503 -7.512 1.00 0.00 H new ATOM 0 HD12 ILE A 117 9.750 0.224 -7.654 1.00 0.00 H new ATOM 0 HD13 ILE A 117 9.919 -1.533 -7.428 1.00 0.00 H new ATOM 1827 N SER A 118 11.417 -1.631 -11.946 1.00 0.00 N ATOM 1828 CA SER A 118 12.477 -2.508 -12.435 1.00 0.00 C ATOM 1829 C SER A 118 13.110 -3.302 -11.296 1.00 0.00 C ATOM 1830 O SER A 118 13.047 -2.899 -10.134 1.00 0.00 O ATOM 1831 CB SER A 118 13.550 -1.690 -13.157 1.00 0.00 C ATOM 1832 OG SER A 118 14.304 -2.504 -14.038 1.00 0.00 O ATOM 0 H SER A 118 11.749 -0.790 -11.474 1.00 0.00 H new ATOM 0 HA SER A 118 12.029 -3.214 -13.135 1.00 0.00 H new ATOM 0 HB2 SER A 118 13.080 -0.881 -13.716 1.00 0.00 H new ATOM 0 HB3 SER A 118 14.213 -1.228 -12.426 1.00 0.00 H new ATOM 0 HG SER A 118 14.982 -1.958 -14.489 1.00 0.00 H new ATOM 1838 N ARG A 119 13.724 -4.431 -11.639 1.00 0.00 N ATOM 1839 CA ARG A 119 14.372 -5.287 -10.650 1.00 0.00 C ATOM 1840 C ARG A 119 15.325 -4.480 -9.775 1.00 0.00 C ATOM 1841 O ARG A 119 15.409 -4.696 -8.566 1.00 0.00 O ATOM 1842 CB ARG A 119 15.131 -6.421 -11.341 1.00 0.00 C ATOM 1843 CG ARG A 119 14.271 -7.238 -12.293 1.00 0.00 C ATOM 1844 CD ARG A 119 15.041 -7.643 -13.541 1.00 0.00 C ATOM 1845 NE ARG A 119 14.429 -7.115 -14.758 1.00 0.00 N ATOM 1846 CZ ARG A 119 14.670 -5.898 -15.245 1.00 0.00 C ATOM 1847 NH1 ARG A 119 15.507 -5.078 -14.622 1.00 0.00 N ATOM 1848 NH2 ARG A 119 14.071 -5.502 -16.359 1.00 0.00 N ATOM 0 H ARG A 119 13.786 -4.775 -12.597 1.00 0.00 H new ATOM 0 HA ARG A 119 13.597 -5.715 -10.014 1.00 0.00 H new ATOM 0 HB2 ARG A 119 15.971 -6.001 -11.894 1.00 0.00 H new ATOM 0 HB3 ARG A 119 15.548 -7.083 -10.582 1.00 0.00 H new ATOM 0 HG2 ARG A 119 13.910 -8.131 -11.782 1.00 0.00 H new ATOM 0 HG3 ARG A 119 13.393 -6.658 -12.579 1.00 0.00 H new ATOM 0 HD2 ARG A 119 16.067 -7.284 -13.466 1.00 0.00 H new ATOM 0 HD3 ARG A 119 15.088 -8.730 -13.601 1.00 0.00 H new ATOM 0 HE ARG A 119 13.778 -7.714 -15.266 1.00 0.00 H new ATOM 0 HH11 ARG A 119 15.971 -5.378 -13.764 1.00 0.00 H new ATOM 0 HH12 ARG A 119 15.686 -4.148 -15.001 1.00 0.00 H new ATOM 0 HH21 ARG A 119 13.427 -6.128 -16.842 1.00 0.00 H new ATOM 0 HH22 ARG A 119 14.254 -4.571 -16.733 1.00 0.00 H new ATOM 1862 N SER A 120 16.036 -3.544 -10.393 1.00 0.00 N ATOM 1863 CA SER A 120 16.977 -2.700 -9.669 1.00 0.00 C ATOM 1864 C SER A 120 16.239 -1.839 -8.649 1.00 0.00 C ATOM 1865 O SER A 120 16.637 -1.752 -7.487 1.00 0.00 O ATOM 1866 CB SER A 120 17.755 -1.810 -10.641 1.00 0.00 C ATOM 1867 OG SER A 120 18.581 -2.586 -11.493 1.00 0.00 O ATOM 0 H SER A 120 15.978 -3.351 -11.393 1.00 0.00 H new ATOM 0 HA SER A 120 17.682 -3.343 -9.143 1.00 0.00 H new ATOM 0 HB2 SER A 120 17.058 -1.224 -11.240 1.00 0.00 H new ATOM 0 HB3 SER A 120 18.367 -1.103 -10.081 1.00 0.00 H new ATOM 0 HG SER A 120 19.066 -1.995 -12.106 1.00 0.00 H new ATOM 1873 N LYS A 121 15.155 -1.211 -9.094 1.00 0.00 N ATOM 1874 CA LYS A 121 14.352 -0.363 -8.223 1.00 0.00 C ATOM 1875 C LYS A 121 13.647 -1.200 -7.161 1.00 0.00 C ATOM 1876 O LYS A 121 13.539 -0.794 -6.005 1.00 0.00 O ATOM 1877 CB LYS A 121 13.324 0.419 -9.042 1.00 0.00 C ATOM 1878 CG LYS A 121 13.929 1.549 -9.859 1.00 0.00 C ATOM 1879 CD LYS A 121 13.083 2.811 -9.782 1.00 0.00 C ATOM 1880 CE LYS A 121 12.026 2.842 -10.874 1.00 0.00 C ATOM 1881 NZ LYS A 121 12.627 3.022 -12.226 1.00 0.00 N ATOM 0 H LYS A 121 14.813 -1.274 -10.053 1.00 0.00 H new ATOM 0 HA LYS A 121 15.017 0.343 -7.725 1.00 0.00 H new ATOM 0 HB2 LYS A 121 12.808 -0.268 -9.713 1.00 0.00 H new ATOM 0 HB3 LYS A 121 12.573 0.831 -8.368 1.00 0.00 H new ATOM 0 HG2 LYS A 121 14.935 1.762 -9.497 1.00 0.00 H new ATOM 0 HG3 LYS A 121 14.024 1.237 -10.899 1.00 0.00 H new ATOM 0 HD2 LYS A 121 12.601 2.868 -8.806 1.00 0.00 H new ATOM 0 HD3 LYS A 121 13.726 3.687 -9.872 1.00 0.00 H new ATOM 0 HE2 LYS A 121 11.454 1.914 -10.852 1.00 0.00 H new ATOM 0 HE3 LYS A 121 11.325 3.653 -10.678 1.00 0.00 H new ATOM 0 HZ1 LYS A 121 11.906 3.388 -12.880 1.00 0.00 H new ATOM 0 HZ2 LYS A 121 13.417 3.696 -12.168 1.00 0.00 H new ATOM 0 HZ3 LYS A 121 12.978 2.107 -12.574 1.00 0.00 H new ATOM 1895 N LEU A 122 13.169 -2.374 -7.563 1.00 0.00 N ATOM 1896 CA LEU A 122 12.478 -3.269 -6.643 1.00 0.00 C ATOM 1897 C LEU A 122 13.410 -3.714 -5.524 1.00 0.00 C ATOM 1898 O LEU A 122 13.042 -3.691 -4.350 1.00 0.00 O ATOM 1899 CB LEU A 122 11.940 -4.487 -7.389 1.00 0.00 C ATOM 1900 CG LEU A 122 10.640 -4.240 -8.153 1.00 0.00 C ATOM 1901 CD1 LEU A 122 10.836 -4.489 -9.637 1.00 0.00 C ATOM 1902 CD2 LEU A 122 9.517 -5.105 -7.606 1.00 0.00 C ATOM 0 H LEU A 122 13.248 -2.726 -8.517 1.00 0.00 H new ATOM 0 HA LEU A 122 11.641 -2.726 -6.204 1.00 0.00 H new ATOM 0 HB2 LEU A 122 12.699 -4.832 -8.091 1.00 0.00 H new ATOM 0 HB3 LEU A 122 11.778 -5.293 -6.673 1.00 0.00 H new ATOM 0 HG LEU A 122 10.359 -3.196 -8.015 1.00 0.00 H new ATOM 0 HD11 LEU A 122 9.899 -4.308 -10.163 1.00 0.00 H new ATOM 0 HD12 LEU A 122 11.603 -3.817 -10.020 1.00 0.00 H new ATOM 0 HD13 LEU A 122 11.147 -5.522 -9.795 1.00 0.00 H new ATOM 0 HD21 LEU A 122 8.602 -4.911 -8.166 1.00 0.00 H new ATOM 0 HD22 LEU A 122 9.787 -6.157 -7.705 1.00 0.00 H new ATOM 0 HD23 LEU A 122 9.355 -4.869 -6.554 1.00 0.00 H new ATOM 1914 N GLU A 123 14.624 -4.112 -5.896 1.00 0.00 N ATOM 1915 CA GLU A 123 15.614 -4.554 -4.922 1.00 0.00 C ATOM 1916 C GLU A 123 15.828 -3.486 -3.857 1.00 0.00 C ATOM 1917 O GLU A 123 16.032 -3.795 -2.683 1.00 0.00 O ATOM 1918 CB GLU A 123 16.937 -4.880 -5.617 1.00 0.00 C ATOM 1919 CG GLU A 123 17.207 -6.370 -5.733 1.00 0.00 C ATOM 1920 CD GLU A 123 18.326 -6.688 -6.704 1.00 0.00 C ATOM 1921 OE1 GLU A 123 19.505 -6.518 -6.327 1.00 0.00 O ATOM 1922 OE2 GLU A 123 18.026 -7.107 -7.842 1.00 0.00 O ATOM 0 H GLU A 123 14.944 -4.137 -6.864 1.00 0.00 H new ATOM 0 HA GLU A 123 15.242 -5.457 -4.439 1.00 0.00 H new ATOM 0 HB2 GLU A 123 16.933 -4.440 -6.614 1.00 0.00 H new ATOM 0 HB3 GLU A 123 17.753 -4.412 -5.066 1.00 0.00 H new ATOM 0 HG2 GLU A 123 17.461 -6.767 -4.750 1.00 0.00 H new ATOM 0 HG3 GLU A 123 16.297 -6.876 -6.056 1.00 0.00 H new ATOM 1929 N ASP A 124 15.769 -2.225 -4.275 1.00 0.00 N ATOM 1930 CA ASP A 124 15.946 -1.110 -3.354 1.00 0.00 C ATOM 1931 C ASP A 124 14.896 -1.162 -2.249 1.00 0.00 C ATOM 1932 O ASP A 124 15.218 -1.033 -1.070 1.00 0.00 O ATOM 1933 CB ASP A 124 15.861 0.222 -4.100 1.00 0.00 C ATOM 1934 CG ASP A 124 17.228 0.779 -4.447 1.00 0.00 C ATOM 1935 OD1 ASP A 124 17.969 1.156 -3.515 1.00 0.00 O ATOM 1936 OD2 ASP A 124 17.557 0.837 -5.650 1.00 0.00 O ATOM 0 H ASP A 124 15.600 -1.951 -5.243 1.00 0.00 H new ATOM 0 HA ASP A 124 16.935 -1.192 -2.902 1.00 0.00 H new ATOM 0 HB2 ASP A 124 15.284 0.087 -5.015 1.00 0.00 H new ATOM 0 HB3 ASP A 124 15.322 0.945 -3.487 1.00 0.00 H new ATOM 1941 N ILE A 125 13.639 -1.365 -2.639 1.00 0.00 N ATOM 1942 CA ILE A 125 12.552 -1.448 -1.672 1.00 0.00 C ATOM 1943 C ILE A 125 12.645 -2.742 -0.871 1.00 0.00 C ATOM 1944 O ILE A 125 12.383 -2.755 0.332 1.00 0.00 O ATOM 1945 CB ILE A 125 11.170 -1.364 -2.353 1.00 0.00 C ATOM 1946 CG1 ILE A 125 10.981 0.008 -2.999 1.00 0.00 C ATOM 1947 CG2 ILE A 125 10.060 -1.627 -1.349 1.00 0.00 C ATOM 1948 CD1 ILE A 125 11.283 0.020 -4.477 1.00 0.00 C ATOM 0 H ILE A 125 13.352 -1.474 -3.612 1.00 0.00 H new ATOM 0 HA ILE A 125 12.655 -0.595 -1.001 1.00 0.00 H new ATOM 0 HB ILE A 125 11.123 -2.129 -3.128 1.00 0.00 H new ATOM 0 HG12 ILE A 125 9.954 0.337 -2.843 1.00 0.00 H new ATOM 0 HG13 ILE A 125 11.626 0.730 -2.498 1.00 0.00 H new ATOM 0 HG21 ILE A 125 9.094 -1.563 -1.850 1.00 0.00 H new ATOM 0 HG22 ILE A 125 10.183 -2.623 -0.923 1.00 0.00 H new ATOM 0 HG23 ILE A 125 10.106 -0.884 -0.553 1.00 0.00 H new ATOM 0 HD11 ILE A 125 11.129 1.024 -4.872 1.00 0.00 H new ATOM 0 HD12 ILE A 125 12.319 -0.278 -4.639 1.00 0.00 H new ATOM 0 HD13 ILE A 125 10.620 -0.677 -4.989 1.00 0.00 H new ATOM 1960 N ALA A 126 13.036 -3.827 -1.535 1.00 0.00 N ATOM 1961 CA ALA A 126 13.178 -5.108 -0.861 1.00 0.00 C ATOM 1962 C ALA A 126 14.189 -4.975 0.261 1.00 0.00 C ATOM 1963 O ALA A 126 13.951 -5.412 1.386 1.00 0.00 O ATOM 1964 CB ALA A 126 13.606 -6.192 -1.838 1.00 0.00 C ATOM 0 H ALA A 126 13.258 -3.842 -2.530 1.00 0.00 H new ATOM 0 HA ALA A 126 12.213 -5.398 -0.446 1.00 0.00 H new ATOM 0 HB1 ALA A 126 13.705 -7.140 -1.309 1.00 0.00 H new ATOM 0 HB2 ALA A 126 12.856 -6.291 -2.623 1.00 0.00 H new ATOM 0 HB3 ALA A 126 14.564 -5.923 -2.283 1.00 0.00 H new ATOM 1970 N ASN A 127 15.312 -4.338 -0.055 1.00 0.00 N ATOM 1971 CA ASN A 127 16.360 -4.112 0.922 1.00 0.00 C ATOM 1972 C ASN A 127 15.990 -2.949 1.824 1.00 0.00 C ATOM 1973 O ASN A 127 16.386 -2.903 2.988 1.00 0.00 O ATOM 1974 CB ASN A 127 17.698 -3.845 0.231 1.00 0.00 C ATOM 1975 CG ASN A 127 18.578 -5.078 0.177 1.00 0.00 C ATOM 1976 OD1 ASN A 127 19.551 -5.194 0.919 1.00 0.00 O ATOM 1977 ND2 ASN A 127 18.236 -6.010 -0.707 1.00 0.00 N ATOM 0 H ASN A 127 15.516 -3.970 -0.984 1.00 0.00 H new ATOM 0 HA ASN A 127 16.465 -5.011 1.530 1.00 0.00 H new ATOM 0 HB2 ASN A 127 17.515 -3.488 -0.783 1.00 0.00 H new ATOM 0 HB3 ASN A 127 18.224 -3.050 0.759 1.00 0.00 H new ATOM 0 HD21 ASN A 127 18.790 -6.863 -0.789 1.00 0.00 H new ATOM 0 HD22 ASN A 127 17.420 -5.872 -1.303 1.00 0.00 H new ATOM 1984 N ALA A 128 15.203 -2.019 1.290 1.00 0.00 N ATOM 1985 CA ALA A 128 14.760 -0.874 2.067 1.00 0.00 C ATOM 1986 C ALA A 128 14.170 -1.349 3.393 1.00 0.00 C ATOM 1987 O ALA A 128 14.270 -0.669 4.415 1.00 0.00 O ATOM 1988 CB ALA A 128 13.738 -0.071 1.276 1.00 0.00 C ATOM 0 H ALA A 128 14.863 -2.038 0.329 1.00 0.00 H new ATOM 0 HA ALA A 128 15.612 -0.228 2.278 1.00 0.00 H new ATOM 0 HB1 ALA A 128 13.412 0.785 1.867 1.00 0.00 H new ATOM 0 HB2 ALA A 128 14.190 0.279 0.348 1.00 0.00 H new ATOM 0 HB3 ALA A 128 12.879 -0.701 1.046 1.00 0.00 H new ATOM 1994 N ALA A 129 13.566 -2.536 3.360 1.00 0.00 N ATOM 1995 CA ALA A 129 12.964 -3.134 4.543 1.00 0.00 C ATOM 1996 C ALA A 129 13.991 -3.938 5.332 1.00 0.00 C ATOM 1997 O ALA A 129 14.016 -3.896 6.560 1.00 0.00 O ATOM 1998 CB ALA A 129 11.795 -4.026 4.148 1.00 0.00 C ATOM 0 H ALA A 129 13.482 -3.104 2.517 1.00 0.00 H new ATOM 0 HA ALA A 129 12.598 -2.328 5.179 1.00 0.00 H new ATOM 0 HB1 ALA A 129 11.355 -4.466 5.043 1.00 0.00 H new ATOM 0 HB2 ALA A 129 11.043 -3.432 3.628 1.00 0.00 H new ATOM 0 HB3 ALA A 129 12.149 -4.819 3.490 1.00 0.00 H new ATOM 2004 N LEU A 130 14.833 -4.675 4.611 1.00 0.00 N ATOM 2005 CA LEU A 130 15.863 -5.502 5.229 1.00 0.00 C ATOM 2006 C LEU A 130 16.662 -4.714 6.264 1.00 0.00 C ATOM 2007 O LEU A 130 17.195 -5.284 7.217 1.00 0.00 O ATOM 2008 CB LEU A 130 16.795 -6.064 4.155 1.00 0.00 C ATOM 2009 CG LEU A 130 16.107 -6.928 3.095 1.00 0.00 C ATOM 2010 CD1 LEU A 130 17.058 -7.248 1.950 1.00 0.00 C ATOM 2011 CD2 LEU A 130 15.565 -8.206 3.715 1.00 0.00 C ATOM 0 H LEU A 130 14.820 -4.715 3.592 1.00 0.00 H new ATOM 0 HA LEU A 130 15.371 -6.327 5.745 1.00 0.00 H new ATOM 0 HB2 LEU A 130 17.295 -5.233 3.657 1.00 0.00 H new ATOM 0 HB3 LEU A 130 17.569 -6.658 4.641 1.00 0.00 H new ATOM 0 HG LEU A 130 15.270 -6.360 2.689 1.00 0.00 H new ATOM 0 HD11 LEU A 130 16.544 -7.863 1.211 1.00 0.00 H new ATOM 0 HD12 LEU A 130 17.390 -6.321 1.483 1.00 0.00 H new ATOM 0 HD13 LEU A 130 17.922 -7.790 2.335 1.00 0.00 H new ATOM 0 HD21 LEU A 130 15.080 -8.806 2.945 1.00 0.00 H new ATOM 0 HD22 LEU A 130 16.385 -8.774 4.154 1.00 0.00 H new ATOM 0 HD23 LEU A 130 14.841 -7.956 4.490 1.00 0.00 H new ATOM 2023 N ALA A 131 16.734 -3.400 6.077 1.00 0.00 N ATOM 2024 CA ALA A 131 17.461 -2.540 7.002 1.00 0.00 C ATOM 2025 C ALA A 131 16.833 -2.588 8.391 1.00 0.00 C ATOM 2026 O ALA A 131 17.524 -2.469 9.403 1.00 0.00 O ATOM 2027 CB ALA A 131 17.492 -1.110 6.481 1.00 0.00 C ATOM 0 H ALA A 131 16.299 -2.909 5.296 1.00 0.00 H new ATOM 0 HA ALA A 131 18.485 -2.906 7.078 1.00 0.00 H new ATOM 0 HB1 ALA A 131 18.038 -0.479 7.182 1.00 0.00 H new ATOM 0 HB2 ALA A 131 17.987 -1.087 5.510 1.00 0.00 H new ATOM 0 HB3 ALA A 131 16.473 -0.739 6.377 1.00 0.00 H new ATOM 2033 N ALA A 132 15.515 -2.764 8.428 1.00 0.00 N ATOM 2034 CA ALA A 132 14.785 -2.831 9.689 1.00 0.00 C ATOM 2035 C ALA A 132 14.105 -4.190 9.872 1.00 0.00 C ATOM 2036 O ALA A 132 13.603 -4.500 10.952 1.00 0.00 O ATOM 2037 CB ALA A 132 13.753 -1.714 9.756 1.00 0.00 C ATOM 0 H ALA A 132 14.931 -2.863 7.598 1.00 0.00 H new ATOM 0 HA ALA A 132 15.504 -2.706 10.499 1.00 0.00 H new ATOM 0 HB1 ALA A 132 13.214 -1.773 10.701 1.00 0.00 H new ATOM 0 HB2 ALA A 132 14.256 -0.749 9.685 1.00 0.00 H new ATOM 0 HB3 ALA A 132 13.050 -1.818 8.930 1.00 0.00 H new ATOM 2043 N ASN A 133 14.092 -4.995 8.811 1.00 0.00 N ATOM 2044 CA ASN A 133 13.472 -6.316 8.853 1.00 0.00 C ATOM 2045 C ASN A 133 11.955 -6.202 8.977 1.00 0.00 C ATOM 2046 O ASN A 133 11.331 -6.905 9.771 1.00 0.00 O ATOM 2047 CB ASN A 133 14.038 -7.140 10.013 1.00 0.00 C ATOM 2048 CG ASN A 133 14.495 -8.517 9.574 1.00 0.00 C ATOM 2049 OD1 ASN A 133 13.728 -9.479 9.608 1.00 0.00 O ATOM 2050 ND2 ASN A 133 15.753 -8.619 9.158 1.00 0.00 N ATOM 0 H ASN A 133 14.505 -4.754 7.910 1.00 0.00 H new ATOM 0 HA ASN A 133 13.702 -6.826 7.918 1.00 0.00 H new ATOM 0 HB2 ASN A 133 14.878 -6.606 10.459 1.00 0.00 H new ATOM 0 HB3 ASN A 133 13.278 -7.242 10.788 1.00 0.00 H new ATOM 0 HD21 ASN A 133 16.117 -9.521 8.851 1.00 0.00 H new ATOM 0 HD22 ASN A 133 16.355 -7.795 9.146 1.00 0.00 H new ATOM 2057 N ALA A 134 11.369 -5.311 8.185 1.00 0.00 N ATOM 2058 CA ALA A 134 9.927 -5.103 8.204 1.00 0.00 C ATOM 2059 C ALA A 134 9.228 -6.017 7.202 1.00 0.00 C ATOM 2060 O ALA A 134 9.654 -6.137 6.054 1.00 0.00 O ATOM 2061 CB ALA A 134 9.603 -3.645 7.911 1.00 0.00 C ATOM 0 H ALA A 134 11.871 -4.721 7.522 1.00 0.00 H new ATOM 0 HA ALA A 134 9.559 -5.352 9.199 1.00 0.00 H new ATOM 0 HB1 ALA A 134 8.523 -3.502 7.928 1.00 0.00 H new ATOM 0 HB2 ALA A 134 10.065 -3.011 8.667 1.00 0.00 H new ATOM 0 HB3 ALA A 134 9.989 -3.377 6.928 1.00 0.00 H new ATOM 2067 N VAL A 135 8.151 -6.659 7.645 1.00 0.00 N ATOM 2068 CA VAL A 135 7.391 -7.561 6.786 1.00 0.00 C ATOM 2069 C VAL A 135 6.719 -6.793 5.656 1.00 0.00 C ATOM 2070 O VAL A 135 5.757 -6.058 5.879 1.00 0.00 O ATOM 2071 CB VAL A 135 6.314 -8.331 7.576 1.00 0.00 C ATOM 2072 CG1 VAL A 135 5.851 -9.551 6.794 1.00 0.00 C ATOM 2073 CG2 VAL A 135 6.834 -8.733 8.948 1.00 0.00 C ATOM 0 H VAL A 135 7.785 -6.571 8.593 1.00 0.00 H new ATOM 0 HA VAL A 135 8.102 -8.277 6.374 1.00 0.00 H new ATOM 0 HB VAL A 135 5.458 -7.672 7.721 1.00 0.00 H new ATOM 0 HG11 VAL A 135 5.091 -10.083 7.366 1.00 0.00 H new ATOM 0 HG12 VAL A 135 5.431 -9.234 5.840 1.00 0.00 H new ATOM 0 HG13 VAL A 135 6.699 -10.212 6.615 1.00 0.00 H new ATOM 0 HG21 VAL A 135 6.057 -9.275 9.487 1.00 0.00 H new ATOM 0 HG22 VAL A 135 7.709 -9.373 8.832 1.00 0.00 H new ATOM 0 HG23 VAL A 135 7.109 -7.840 9.509 1.00 0.00 H new ATOM 2083 N THR A 136 7.235 -6.959 4.443 1.00 0.00 N ATOM 2084 CA THR A 136 6.683 -6.270 3.282 1.00 0.00 C ATOM 2085 C THR A 136 6.440 -7.236 2.128 1.00 0.00 C ATOM 2086 O THR A 136 6.988 -8.337 2.097 1.00 0.00 O ATOM 2087 CB THR A 136 7.627 -5.155 2.828 1.00 0.00 C ATOM 2088 OG1 THR A 136 8.707 -5.686 2.081 1.00 0.00 O ATOM 2089 CG2 THR A 136 8.210 -4.358 3.975 1.00 0.00 C ATOM 0 H THR A 136 8.032 -7.562 4.238 1.00 0.00 H new ATOM 0 HA THR A 136 5.726 -5.838 3.577 1.00 0.00 H new ATOM 0 HB THR A 136 7.015 -4.489 2.220 1.00 0.00 H new ATOM 0 HG1 THR A 136 9.299 -4.958 1.798 1.00 0.00 H new ATOM 0 HG21 THR A 136 8.870 -3.584 3.582 1.00 0.00 H new ATOM 0 HG22 THR A 136 7.403 -3.893 4.542 1.00 0.00 H new ATOM 0 HG23 THR A 136 8.777 -5.021 4.628 1.00 0.00 H new ATOM 2097 N GLN A 137 5.618 -6.806 1.176 1.00 0.00 N ATOM 2098 CA GLN A 137 5.301 -7.618 0.009 1.00 0.00 C ATOM 2099 C GLN A 137 4.890 -6.729 -1.159 1.00 0.00 C ATOM 2100 O GLN A 137 3.903 -5.999 -1.078 1.00 0.00 O ATOM 2101 CB GLN A 137 4.181 -8.609 0.336 1.00 0.00 C ATOM 2102 CG GLN A 137 2.975 -7.969 1.004 1.00 0.00 C ATOM 2103 CD GLN A 137 3.079 -7.964 2.516 1.00 0.00 C ATOM 2104 OE1 GLN A 137 3.872 -7.220 3.093 1.00 0.00 O ATOM 2105 NE2 GLN A 137 2.277 -8.798 3.168 1.00 0.00 N ATOM 0 H GLN A 137 5.158 -5.896 1.191 1.00 0.00 H new ATOM 0 HA GLN A 137 6.192 -8.179 -0.274 1.00 0.00 H new ATOM 0 HB2 GLN A 137 3.859 -9.097 -0.584 1.00 0.00 H new ATOM 0 HB3 GLN A 137 4.576 -9.388 0.988 1.00 0.00 H new ATOM 0 HG2 GLN A 137 2.868 -6.944 0.648 1.00 0.00 H new ATOM 0 HG3 GLN A 137 2.073 -8.505 0.708 1.00 0.00 H new ATOM 0 HE21 GLN A 137 1.635 -9.397 2.650 1.00 0.00 H new ATOM 0 HE22 GLN A 137 2.303 -8.839 4.187 1.00 0.00 H new ATOM 2114 N VAL A 138 5.657 -6.789 -2.242 1.00 0.00 N ATOM 2115 CA VAL A 138 5.372 -5.981 -3.420 1.00 0.00 C ATOM 2116 C VAL A 138 4.303 -6.630 -4.291 1.00 0.00 C ATOM 2117 O VAL A 138 4.547 -7.637 -4.956 1.00 0.00 O ATOM 2118 CB VAL A 138 6.644 -5.741 -4.257 1.00 0.00 C ATOM 2119 CG1 VAL A 138 6.354 -4.800 -5.418 1.00 0.00 C ATOM 2120 CG2 VAL A 138 7.756 -5.188 -3.379 1.00 0.00 C ATOM 0 H VAL A 138 6.479 -7.387 -2.328 1.00 0.00 H new ATOM 0 HA VAL A 138 5.000 -5.020 -3.064 1.00 0.00 H new ATOM 0 HB VAL A 138 6.973 -6.695 -4.670 1.00 0.00 H new ATOM 0 HG11 VAL A 138 7.265 -4.644 -5.996 1.00 0.00 H new ATOM 0 HG12 VAL A 138 5.588 -5.238 -6.059 1.00 0.00 H new ATOM 0 HG13 VAL A 138 6.001 -3.844 -5.032 1.00 0.00 H new ATOM 0 HG21 VAL A 138 8.648 -5.023 -3.983 1.00 0.00 H new ATOM 0 HG22 VAL A 138 7.436 -4.244 -2.939 1.00 0.00 H new ATOM 0 HG23 VAL A 138 7.981 -5.900 -2.585 1.00 0.00 H new ATOM 2130 N ALA A 139 3.112 -6.039 -4.276 1.00 0.00 N ATOM 2131 CA ALA A 139 1.991 -6.545 -5.054 1.00 0.00 C ATOM 2132 C ALA A 139 2.202 -6.303 -6.545 1.00 0.00 C ATOM 2133 O ALA A 139 3.202 -5.713 -6.953 1.00 0.00 O ATOM 2134 CB ALA A 139 0.698 -5.892 -4.588 1.00 0.00 C ATOM 0 H ALA A 139 2.900 -5.204 -3.729 1.00 0.00 H new ATOM 0 HA ALA A 139 1.923 -7.621 -4.897 1.00 0.00 H new ATOM 0 HB1 ALA A 139 -0.136 -6.276 -5.175 1.00 0.00 H new ATOM 0 HB2 ALA A 139 0.535 -6.119 -3.534 1.00 0.00 H new ATOM 0 HB3 ALA A 139 0.768 -4.812 -4.720 1.00 0.00 H new ATOM 2140 N LYS A 140 1.250 -6.759 -7.353 1.00 0.00 N ATOM 2141 CA LYS A 140 1.331 -6.589 -8.799 1.00 0.00 C ATOM 2142 C LYS A 140 0.856 -5.198 -9.206 1.00 0.00 C ATOM 2143 O LYS A 140 0.143 -4.531 -8.457 1.00 0.00 O ATOM 2144 CB LYS A 140 0.497 -7.659 -9.508 1.00 0.00 C ATOM 2145 CG LYS A 140 1.327 -8.797 -10.076 1.00 0.00 C ATOM 2146 CD LYS A 140 0.600 -9.508 -11.206 1.00 0.00 C ATOM 2147 CE LYS A 140 -0.538 -10.369 -10.683 1.00 0.00 C ATOM 2148 NZ LYS A 140 -1.232 -11.099 -11.778 1.00 0.00 N ATOM 0 H LYS A 140 0.415 -7.248 -7.031 1.00 0.00 H new ATOM 0 HA LYS A 140 2.373 -6.699 -9.098 1.00 0.00 H new ATOM 0 HB2 LYS A 140 -0.230 -8.066 -8.805 1.00 0.00 H new ATOM 0 HB3 LYS A 140 -0.067 -7.193 -10.316 1.00 0.00 H new ATOM 0 HG2 LYS A 140 2.277 -8.408 -10.442 1.00 0.00 H new ATOM 0 HG3 LYS A 140 1.558 -9.510 -9.285 1.00 0.00 H new ATOM 0 HD2 LYS A 140 0.208 -8.772 -11.907 1.00 0.00 H new ATOM 0 HD3 LYS A 140 1.304 -10.130 -11.758 1.00 0.00 H new ATOM 0 HE2 LYS A 140 -0.148 -11.085 -9.960 1.00 0.00 H new ATOM 0 HE3 LYS A 140 -1.255 -9.741 -10.155 1.00 0.00 H new ATOM 0 HZ1 LYS A 140 -2.001 -11.674 -11.379 1.00 0.00 H new ATOM 0 HZ2 LYS A 140 -1.627 -10.415 -12.455 1.00 0.00 H new ATOM 0 HZ3 LYS A 140 -0.554 -11.718 -12.266 1.00 0.00 H new ATOM 2162 N VAL A 141 1.261 -4.768 -10.394 1.00 0.00 N ATOM 2163 CA VAL A 141 0.882 -3.456 -10.900 1.00 0.00 C ATOM 2164 C VAL A 141 -0.328 -3.547 -11.823 1.00 0.00 C ATOM 2165 O VAL A 141 -0.555 -4.569 -12.470 1.00 0.00 O ATOM 2166 CB VAL A 141 2.045 -2.793 -11.660 1.00 0.00 C ATOM 2167 CG1 VAL A 141 1.673 -1.378 -12.075 1.00 0.00 C ATOM 2168 CG2 VAL A 141 3.307 -2.793 -10.810 1.00 0.00 C ATOM 0 H VAL A 141 1.852 -5.309 -11.025 1.00 0.00 H new ATOM 0 HA VAL A 141 0.626 -2.846 -10.034 1.00 0.00 H new ATOM 0 HB VAL A 141 2.243 -3.372 -12.562 1.00 0.00 H new ATOM 0 HG11 VAL A 141 2.507 -0.925 -12.611 1.00 0.00 H new ATOM 0 HG12 VAL A 141 0.798 -1.407 -12.724 1.00 0.00 H new ATOM 0 HG13 VAL A 141 1.447 -0.786 -11.188 1.00 0.00 H new ATOM 0 HG21 VAL A 141 4.118 -2.320 -11.363 1.00 0.00 H new ATOM 0 HG22 VAL A 141 3.125 -2.239 -9.889 1.00 0.00 H new ATOM 0 HG23 VAL A 141 3.583 -3.819 -10.568 1.00 0.00 H new ATOM 2178 N PHE A 142 -1.105 -2.469 -11.876 1.00 0.00 N ATOM 2179 CA PHE A 142 -2.297 -2.424 -12.718 1.00 0.00 C ATOM 2180 C PHE A 142 -2.222 -1.282 -13.723 1.00 0.00 C ATOM 2181 O PHE A 142 -2.633 -1.424 -14.874 1.00 0.00 O ATOM 2182 CB PHE A 142 -3.563 -2.263 -11.871 1.00 0.00 C ATOM 2183 CG PHE A 142 -3.319 -1.729 -10.492 1.00 0.00 C ATOM 2184 CD1 PHE A 142 -2.671 -2.501 -9.544 1.00 0.00 C ATOM 2185 CD2 PHE A 142 -3.750 -0.459 -10.140 1.00 0.00 C ATOM 2186 CE1 PHE A 142 -2.454 -2.020 -8.270 1.00 0.00 C ATOM 2187 CE2 PHE A 142 -3.538 0.026 -8.865 1.00 0.00 C ATOM 2188 CZ PHE A 142 -2.887 -0.757 -7.928 1.00 0.00 C ATOM 0 H PHE A 142 -0.931 -1.615 -11.346 1.00 0.00 H new ATOM 0 HA PHE A 142 -2.342 -3.370 -13.257 1.00 0.00 H new ATOM 0 HB2 PHE A 142 -4.251 -1.595 -12.390 1.00 0.00 H new ATOM 0 HB3 PHE A 142 -4.058 -3.231 -11.791 1.00 0.00 H new ATOM 0 HD1 PHE A 142 -2.331 -3.492 -9.805 1.00 0.00 H new ATOM 0 HD2 PHE A 142 -4.256 0.156 -10.870 1.00 0.00 H new ATOM 0 HE1 PHE A 142 -1.945 -2.633 -7.541 1.00 0.00 H new ATOM 0 HE2 PHE A 142 -3.880 1.015 -8.599 1.00 0.00 H new ATOM 0 HZ PHE A 142 -2.718 -0.379 -6.930 1.00 0.00 H new ATOM 2198 N ASP A 143 -1.714 -0.142 -13.268 1.00 0.00 N ATOM 2199 CA ASP A 143 -1.606 1.048 -14.105 1.00 0.00 C ATOM 2200 C ASP A 143 -0.530 0.914 -15.184 1.00 0.00 C ATOM 2201 O ASP A 143 -0.354 1.819 -15.999 1.00 0.00 O ATOM 2202 CB ASP A 143 -1.314 2.269 -13.233 1.00 0.00 C ATOM 2203 CG ASP A 143 -2.551 3.105 -12.977 1.00 0.00 C ATOM 2204 OD1 ASP A 143 -3.669 2.600 -13.210 1.00 0.00 O ATOM 2205 OD2 ASP A 143 -2.401 4.263 -12.537 1.00 0.00 O ATOM 0 H ASP A 143 -1.368 -0.016 -12.317 1.00 0.00 H new ATOM 0 HA ASP A 143 -2.561 1.170 -14.616 1.00 0.00 H new ATOM 0 HB2 ASP A 143 -0.897 1.941 -12.281 1.00 0.00 H new ATOM 0 HB3 ASP A 143 -0.556 2.885 -13.717 1.00 0.00 H new ATOM 2210 N GLN A 144 0.192 -0.198 -15.196 1.00 0.00 N ATOM 2211 CA GLN A 144 1.240 -0.395 -16.194 1.00 0.00 C ATOM 2212 C GLN A 144 0.666 -0.382 -17.611 1.00 0.00 C ATOM 2213 O GLN A 144 1.397 -0.157 -18.575 1.00 0.00 O ATOM 2214 CB GLN A 144 2.016 -1.698 -15.953 1.00 0.00 C ATOM 2215 CG GLN A 144 1.221 -2.788 -15.254 1.00 0.00 C ATOM 2216 CD GLN A 144 1.550 -4.174 -15.775 1.00 0.00 C ATOM 2217 OE1 GLN A 144 2.691 -4.709 -15.355 1.00 0.00 O flip ATOM 2218 NE2 GLN A 144 0.789 -4.757 -16.547 1.00 0.00 N flip ATOM 0 H GLN A 144 0.076 -0.968 -14.538 1.00 0.00 H new ATOM 0 HA GLN A 144 1.935 0.439 -16.092 1.00 0.00 H new ATOM 0 HB2 GLN A 144 2.366 -2.080 -16.912 1.00 0.00 H new ATOM 0 HB3 GLN A 144 2.901 -1.474 -15.358 1.00 0.00 H new ATOM 0 HG2 GLN A 144 1.421 -2.749 -14.183 1.00 0.00 H new ATOM 0 HG3 GLN A 144 0.156 -2.597 -15.386 1.00 0.00 H new ATOM 0 HE21 GLN A 144 -0.078 -4.309 -16.844 1.00 0.00 H new ATOM 0 HE22 GLN A 144 1.025 -5.688 -16.890 1.00 0.00 H new ATOM 2227 N TYR A 145 -0.640 -0.626 -17.742 1.00 0.00 N ATOM 2228 CA TYR A 145 -1.276 -0.641 -19.049 1.00 0.00 C ATOM 2229 C TYR A 145 -2.214 0.554 -19.250 1.00 0.00 C ATOM 2230 O TYR A 145 -2.610 0.849 -20.378 1.00 0.00 O ATOM 2231 CB TYR A 145 -2.046 -1.944 -19.267 1.00 0.00 C ATOM 2232 CG TYR A 145 -2.444 -2.666 -18.002 1.00 0.00 C ATOM 2233 CD1 TYR A 145 -1.485 -3.225 -17.173 1.00 0.00 C ATOM 2234 CD2 TYR A 145 -3.779 -2.796 -17.645 1.00 0.00 C ATOM 2235 CE1 TYR A 145 -1.842 -3.892 -16.021 1.00 0.00 C ATOM 2236 CE2 TYR A 145 -4.146 -3.463 -16.496 1.00 0.00 C ATOM 2237 CZ TYR A 145 -3.174 -4.010 -15.685 1.00 0.00 C ATOM 2238 OH TYR A 145 -3.535 -4.679 -14.538 1.00 0.00 O ATOM 0 H TYR A 145 -1.269 -0.814 -16.961 1.00 0.00 H new ATOM 0 HA TYR A 145 -0.477 -0.568 -19.786 1.00 0.00 H new ATOM 0 HB2 TYR A 145 -2.946 -1.725 -19.842 1.00 0.00 H new ATOM 0 HB3 TYR A 145 -1.435 -2.613 -19.873 1.00 0.00 H new ATOM 0 HD1 TYR A 145 -0.441 -3.137 -17.434 1.00 0.00 H new ATOM 0 HD2 TYR A 145 -4.542 -2.368 -18.278 1.00 0.00 H new ATOM 0 HE1 TYR A 145 -1.082 -4.320 -15.384 1.00 0.00 H new ATOM 0 HE2 TYR A 145 -5.189 -3.557 -16.232 1.00 0.00 H new ATOM 0 HH TYR A 145 -4.367 -4.300 -14.186 1.00 0.00 H new ATOM 2248 N LEU A 146 -2.573 1.239 -18.164 1.00 0.00 N ATOM 2249 CA LEU A 146 -3.471 2.391 -18.261 1.00 0.00 C ATOM 2250 C LEU A 146 -3.085 3.489 -17.272 1.00 0.00 C ATOM 2251 O LEU A 146 -2.048 3.413 -16.616 1.00 0.00 O ATOM 2252 CB LEU A 146 -4.935 1.964 -18.049 1.00 0.00 C ATOM 2253 CG LEU A 146 -5.246 1.211 -16.747 1.00 0.00 C ATOM 2254 CD1 LEU A 146 -4.416 -0.056 -16.640 1.00 0.00 C ATOM 2255 CD2 LEU A 146 -5.022 2.099 -15.532 1.00 0.00 C ATOM 0 H LEU A 146 -2.261 1.020 -17.218 1.00 0.00 H new ATOM 0 HA LEU A 146 -3.371 2.799 -19.267 1.00 0.00 H new ATOM 0 HB2 LEU A 146 -5.560 2.857 -18.085 1.00 0.00 H new ATOM 0 HB3 LEU A 146 -5.232 1.334 -18.887 1.00 0.00 H new ATOM 0 HG LEU A 146 -6.299 0.930 -16.772 1.00 0.00 H new ATOM 0 HD11 LEU A 146 -4.655 -0.570 -15.709 1.00 0.00 H new ATOM 0 HD12 LEU A 146 -4.639 -0.709 -17.483 1.00 0.00 H new ATOM 0 HD13 LEU A 146 -3.357 0.201 -16.650 1.00 0.00 H new ATOM 0 HD21 LEU A 146 -5.250 1.539 -14.625 1.00 0.00 H new ATOM 0 HD22 LEU A 146 -3.982 2.424 -15.506 1.00 0.00 H new ATOM 0 HD23 LEU A 146 -5.673 2.971 -15.594 1.00 0.00 H new ATOM 2267 N ASN A 147 -3.926 4.516 -17.175 1.00 0.00 N ATOM 2268 CA ASN A 147 -3.675 5.635 -16.274 1.00 0.00 C ATOM 2269 C ASN A 147 -2.347 6.310 -16.604 1.00 0.00 C ATOM 2270 O ASN A 147 -1.304 5.839 -16.102 1.00 0.00 O ATOM 2271 CB ASN A 147 -3.677 5.163 -14.819 1.00 0.00 C ATOM 2272 CG ASN A 147 -4.554 6.027 -13.934 1.00 0.00 C ATOM 2273 OD1 ASN A 147 -5.529 6.621 -14.395 1.00 0.00 O ATOM 2274 ND2 ASN A 147 -4.212 6.102 -12.652 1.00 0.00 N ATOM 2275 OXT ASN A 147 -2.360 7.303 -17.360 1.00 0.00 O ATOM 0 H ASN A 147 -4.790 4.595 -17.712 1.00 0.00 H new ATOM 0 HA ASN A 147 -4.475 6.363 -16.409 1.00 0.00 H new ATOM 0 HB2 ASN A 147 -4.025 4.131 -14.775 1.00 0.00 H new ATOM 0 HB3 ASN A 147 -2.657 5.172 -14.435 1.00 0.00 H new ATOM 0 HD21 ASN A 147 -4.765 6.668 -12.009 1.00 0.00 H new ATOM 0 HD22 ASN A 147 -3.396 5.594 -12.311 1.00 0.00 H new