USER MOD reduce.3.24.130724 H: found=0, std=0, add=581, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 579 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 59 GLN : amide:sc= -0.263 K(o=-0.32,f=-0.98) USER MOD Set 1.2: A 63 HIS : no HD1:sc= -0.056 X(o=-0.32,f=-0.31) USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 4 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 5 GLN : amide:sc= 0 K(o=0,f=-0.57) USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 25:sc= -0.444 USER MOD Single : A 10 THR OG1 : rot -85:sc= 0.0384 USER MOD Single : A 16 MET CE :methyl -113:sc= -0.0479 (180deg=-0.455) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 CYS SG : rot 180:sc= 0 USER MOD Single : A 19 GLN : amide:sc=-0.00684 K(o=-0.0068,f=-0.9) USER MOD Single : A 20 SER OG : rot 100:sc= -1.62! USER MOD Single : A 21 CYS SG : rot -7:sc= -1.18 USER MOD Single : A 23 LYS NZ :NH3+ -168:sc= -0.0149 (180deg=-0.186) USER MOD Single : A 24 SER OG : rot 70:sc= 0.502 USER MOD Single : A 30 SER OG : rot 79:sc= 1.28 USER MOD Single : A 31 ASN : amide:sc= -0.036 K(o=-0.036,f=-1.5!) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0.565 (180deg=0.565) USER MOD Single : A 37 SER OG : rot 180:sc= -0.107 USER MOD Single : A 38 MET CE :methyl -115:sc= -0.0284 (180deg=-0.338) USER MOD Single : A 39 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.122) USER MOD Single : A 41 SER OG : rot 24:sc= 0.621 USER MOD Single : A 44 GLN : amide:sc= 0.297 X(o=0.3,f=-0.029) USER MOD Single : A 46 SER OG : rot 160:sc= -0.118 USER MOD Single : A 48 THR OG1 : rot 180:sc= -0.107 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 57 CYS SG : rot 180:sc= -1.37! USER MOD Single : A 60 GLN : amide:sc= -0.92 K(o=-0.92,f=-2.1) USER MOD Single : A 62 CYS SG : rot 79:sc= 0.928 USER MOD Single : A 64 GLN : amide:sc= -2.62! C(o=-2.6!,f=-2!) USER MOD Single : A 68 MET CE :methyl -132:sc= -0.175 (180deg=-0.96) USER MOD Single : A 73 SER OG : rot -100:sc= 0.956 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 9.192 -18.246 -4.309 1.00 0.00 N ATOM 2 CA ALA A 1 9.088 -18.719 -2.921 1.00 0.00 C ATOM 3 C ALA A 1 9.610 -17.670 -1.947 1.00 0.00 C ATOM 4 O ALA A 1 10.809 -17.415 -1.886 1.00 0.00 O ATOM 5 CB ALA A 1 9.849 -20.024 -2.748 1.00 0.00 C ATOM 0 H1 ALA A 1 8.830 -18.978 -4.953 1.00 0.00 H new ATOM 0 H2 ALA A 1 8.632 -17.377 -4.423 1.00 0.00 H new ATOM 0 H3 ALA A 1 10.188 -18.048 -4.535 1.00 0.00 H new ATOM 0 HA ALA A 1 8.035 -18.894 -2.701 1.00 0.00 H new ATOM 0 HB1 ALA A 1 9.763 -20.361 -1.715 1.00 0.00 H new ATOM 0 HB2 ALA A 1 9.431 -20.780 -3.413 1.00 0.00 H new ATOM 0 HB3 ALA A 1 10.900 -19.868 -2.992 1.00 0.00 H new ATOM 13 N GLY A 2 8.698 -17.034 -1.222 1.00 0.00 N ATOM 14 CA GLY A 2 9.082 -16.067 -0.208 1.00 0.00 C ATOM 15 C GLY A 2 9.441 -14.696 -0.761 1.00 0.00 C ATOM 16 O GLY A 2 8.841 -13.691 -0.376 1.00 0.00 O ATOM 0 H GLY A 2 7.692 -17.171 -1.319 1.00 0.00 H new ATOM 0 HA2 GLY A 2 8.263 -15.957 0.503 1.00 0.00 H new ATOM 0 HA3 GLY A 2 9.935 -16.458 0.347 1.00 0.00 H new ATOM 20 N HIS A 3 10.401 -14.654 -1.674 1.00 0.00 N ATOM 21 CA HIS A 3 10.893 -13.385 -2.213 1.00 0.00 C ATOM 22 C HIS A 3 9.814 -12.661 -3.004 1.00 0.00 C ATOM 23 O HIS A 3 9.205 -13.234 -3.909 1.00 0.00 O ATOM 24 CB HIS A 3 12.111 -13.611 -3.117 1.00 0.00 C ATOM 25 CG HIS A 3 13.314 -14.165 -2.416 1.00 0.00 C ATOM 26 ND1 HIS A 3 14.409 -14.662 -3.089 1.00 0.00 N ATOM 27 CD2 HIS A 3 13.596 -14.303 -1.098 1.00 0.00 C ATOM 28 CE1 HIS A 3 15.307 -15.082 -2.218 1.00 0.00 C ATOM 29 NE2 HIS A 3 14.837 -14.874 -1.006 1.00 0.00 N ATOM 0 H HIS A 3 10.857 -15.481 -2.060 1.00 0.00 H new ATOM 0 HA HIS A 3 11.181 -12.767 -1.362 1.00 0.00 H new ATOM 0 HB2 HIS A 3 11.829 -14.292 -3.920 1.00 0.00 H new ATOM 0 HB3 HIS A 3 12.382 -12.663 -3.582 1.00 0.00 H new ATOM 0 HD2 HIS A 3 12.960 -14.016 -0.273 1.00 0.00 H new ATOM 0 HE1 HIS A 3 16.264 -15.521 -2.458 1.00 0.00 H new ATOM 0 HE2 HIS A 3 15.320 -15.102 -0.137 1.00 0.00 H new ATOM 37 N MET A 4 9.589 -11.397 -2.648 1.00 0.00 N ATOM 38 CA MET A 4 8.620 -10.524 -3.324 1.00 0.00 C ATOM 39 C MET A 4 7.221 -11.134 -3.383 1.00 0.00 C ATOM 40 O MET A 4 6.452 -10.842 -4.302 1.00 0.00 O ATOM 41 CB MET A 4 9.097 -10.175 -4.738 1.00 0.00 C ATOM 42 CG MET A 4 10.366 -9.342 -4.779 1.00 0.00 C ATOM 43 SD MET A 4 10.890 -8.967 -6.464 1.00 0.00 S ATOM 44 CE MET A 4 12.353 -7.983 -6.146 1.00 0.00 C ATOM 0 H MET A 4 10.077 -10.943 -1.876 1.00 0.00 H new ATOM 0 HA MET A 4 8.555 -9.614 -2.728 1.00 0.00 H new ATOM 0 HB2 MET A 4 9.264 -11.099 -5.291 1.00 0.00 H new ATOM 0 HB3 MET A 4 8.304 -9.634 -5.254 1.00 0.00 H new ATOM 0 HG2 MET A 4 10.203 -8.411 -4.236 1.00 0.00 H new ATOM 0 HG3 MET A 4 11.164 -9.876 -4.264 1.00 0.00 H new ATOM 0 HE1 MET A 4 12.795 -7.672 -7.093 1.00 0.00 H new ATOM 0 HE2 MET A 4 12.080 -7.101 -5.567 1.00 0.00 H new ATOM 0 HE3 MET A 4 13.075 -8.576 -5.585 1.00 0.00 H new ATOM 54 N GLN A 5 6.882 -11.962 -2.396 1.00 0.00 N ATOM 55 CA GLN A 5 5.558 -12.585 -2.349 1.00 0.00 C ATOM 56 C GLN A 5 4.480 -11.524 -2.164 1.00 0.00 C ATOM 57 O GLN A 5 3.372 -11.641 -2.684 1.00 0.00 O ATOM 58 CB GLN A 5 5.495 -13.624 -1.222 1.00 0.00 C ATOM 59 CG GLN A 5 5.719 -13.051 0.172 1.00 0.00 C ATOM 60 CD GLN A 5 5.669 -14.108 1.253 1.00 0.00 C ATOM 61 OE1 GLN A 5 4.956 -15.105 1.133 1.00 0.00 O ATOM 62 NE2 GLN A 5 6.419 -13.901 2.314 1.00 0.00 N ATOM 0 H GLN A 5 7.499 -12.216 -1.624 1.00 0.00 H new ATOM 0 HA GLN A 5 5.379 -13.096 -3.295 1.00 0.00 H new ATOM 0 HB2 GLN A 5 4.521 -14.113 -1.249 1.00 0.00 H new ATOM 0 HB3 GLN A 5 6.244 -14.393 -1.411 1.00 0.00 H new ATOM 0 HG2 GLN A 5 6.687 -12.551 0.203 1.00 0.00 H new ATOM 0 HG3 GLN A 5 4.962 -12.294 0.375 1.00 0.00 H new ATOM 0 HE21 GLN A 5 6.996 -13.062 2.375 1.00 0.00 H new ATOM 0 HE22 GLN A 5 6.424 -14.580 3.076 1.00 0.00 H new ATOM 71 N VAL A 6 4.831 -10.487 -1.437 1.00 0.00 N ATOM 72 CA VAL A 6 3.956 -9.366 -1.208 1.00 0.00 C ATOM 73 C VAL A 6 4.731 -8.085 -1.417 1.00 0.00 C ATOM 74 O VAL A 6 5.952 -8.056 -1.242 1.00 0.00 O ATOM 75 CB VAL A 6 3.343 -9.371 0.221 1.00 0.00 C ATOM 76 CG1 VAL A 6 2.448 -10.586 0.428 1.00 0.00 C ATOM 77 CG2 VAL A 6 4.438 -9.325 1.281 1.00 0.00 C ATOM 0 H VAL A 6 5.741 -10.400 -0.985 1.00 0.00 H new ATOM 0 HA VAL A 6 3.130 -9.441 -1.915 1.00 0.00 H new ATOM 0 HB VAL A 6 2.729 -8.476 0.324 1.00 0.00 H new ATOM 0 HG11 VAL A 6 2.033 -10.564 1.435 1.00 0.00 H new ATOM 0 HG12 VAL A 6 1.637 -10.568 -0.300 1.00 0.00 H new ATOM 0 HG13 VAL A 6 3.034 -11.496 0.296 1.00 0.00 H new ATOM 0 HG21 VAL A 6 3.985 -9.329 2.272 1.00 0.00 H new ATOM 0 HG22 VAL A 6 5.085 -10.196 1.174 1.00 0.00 H new ATOM 0 HG23 VAL A 6 5.028 -8.417 1.156 1.00 0.00 H new ATOM 87 N ALA A 7 4.052 -7.054 -1.827 1.00 0.00 N ATOM 88 CA ALA A 7 4.681 -5.776 -2.015 1.00 0.00 C ATOM 89 C ALA A 7 4.078 -4.766 -1.074 1.00 0.00 C ATOM 90 O ALA A 7 2.852 -4.618 -1.011 1.00 0.00 O ATOM 91 CB ALA A 7 4.532 -5.314 -3.457 1.00 0.00 C ATOM 0 H ALA A 7 3.055 -7.072 -2.040 1.00 0.00 H new ATOM 0 HA ALA A 7 5.745 -5.872 -1.797 1.00 0.00 H new ATOM 0 HB1 ALA A 7 5.015 -4.344 -3.580 1.00 0.00 H new ATOM 0 HB2 ALA A 7 5.001 -6.040 -4.122 1.00 0.00 H new ATOM 0 HB3 ALA A 7 3.474 -5.227 -3.704 1.00 0.00 H new ATOM 97 N THR A 8 4.920 -4.096 -0.327 1.00 0.00 N ATOM 98 CA THR A 8 4.465 -3.070 0.568 1.00 0.00 C ATOM 99 C THR A 8 5.091 -1.749 0.202 1.00 0.00 C ATOM 100 O THR A 8 6.244 -1.696 -0.247 1.00 0.00 O ATOM 101 CB THR A 8 4.765 -3.409 2.047 1.00 0.00 C ATOM 102 OG1 THR A 8 6.159 -3.709 2.216 1.00 0.00 O ATOM 103 CG2 THR A 8 3.939 -4.592 2.509 1.00 0.00 C ATOM 0 H THR A 8 5.929 -4.246 -0.324 1.00 0.00 H new ATOM 0 HA THR A 8 3.382 -3.003 0.463 1.00 0.00 H new ATOM 0 HB THR A 8 4.503 -2.539 2.649 1.00 0.00 H new ATOM 0 HG1 THR A 8 6.337 -3.920 3.156 1.00 0.00 H new ATOM 0 HG21 THR A 8 4.168 -4.811 3.552 1.00 0.00 H new ATOM 0 HG22 THR A 8 2.879 -4.356 2.412 1.00 0.00 H new ATOM 0 HG23 THR A 8 4.175 -5.462 1.896 1.00 0.00 H new ATOM 111 N SER A 9 4.340 -0.698 0.371 1.00 0.00 N ATOM 112 CA SER A 9 4.799 0.617 0.041 1.00 0.00 C ATOM 113 C SER A 9 3.998 1.647 0.804 1.00 0.00 C ATOM 114 O SER A 9 2.850 1.393 1.194 1.00 0.00 O ATOM 115 CB SER A 9 4.675 0.851 -1.470 1.00 0.00 C ATOM 116 OG SER A 9 5.144 2.133 -1.837 1.00 0.00 O ATOM 0 H SER A 9 3.391 -0.731 0.742 1.00 0.00 H new ATOM 0 HA SER A 9 5.848 0.712 0.322 1.00 0.00 H new ATOM 0 HB2 SER A 9 5.241 0.089 -2.005 1.00 0.00 H new ATOM 0 HB3 SER A 9 3.633 0.744 -1.771 1.00 0.00 H new ATOM 0 HG SER A 9 5.792 2.447 -1.172 1.00 0.00 H new ATOM 122 N THR A 10 4.602 2.782 1.045 1.00 0.00 N ATOM 123 CA THR A 10 3.933 3.862 1.697 1.00 0.00 C ATOM 124 C THR A 10 3.697 4.987 0.706 1.00 0.00 C ATOM 125 O THR A 10 4.537 5.257 -0.151 1.00 0.00 O ATOM 126 CB THR A 10 4.743 4.380 2.905 1.00 0.00 C ATOM 127 OG1 THR A 10 6.092 4.680 2.505 1.00 0.00 O ATOM 128 CG2 THR A 10 4.761 3.354 4.026 1.00 0.00 C ATOM 0 H THR A 10 5.571 2.977 0.792 1.00 0.00 H new ATOM 0 HA THR A 10 2.977 3.496 2.071 1.00 0.00 H new ATOM 0 HB THR A 10 4.262 5.288 3.270 1.00 0.00 H new ATOM 0 HG1 THR A 10 6.632 3.863 2.538 1.00 0.00 H new ATOM 0 HG21 THR A 10 5.338 3.742 4.865 1.00 0.00 H new ATOM 0 HG22 THR A 10 3.740 3.151 4.350 1.00 0.00 H new ATOM 0 HG23 THR A 10 5.218 2.432 3.668 1.00 0.00 H new ATOM 136 N VAL A 11 2.569 5.627 0.812 1.00 0.00 N ATOM 137 CA VAL A 11 2.231 6.702 -0.083 1.00 0.00 C ATOM 138 C VAL A 11 1.841 7.937 0.706 1.00 0.00 C ATOM 139 O VAL A 11 0.938 7.897 1.544 1.00 0.00 O ATOM 140 CB VAL A 11 1.092 6.289 -1.068 1.00 0.00 C ATOM 141 CG1 VAL A 11 -0.145 5.802 -0.321 1.00 0.00 C ATOM 142 CG2 VAL A 11 0.737 7.437 -2.001 1.00 0.00 C ATOM 0 H VAL A 11 1.859 5.422 1.516 1.00 0.00 H new ATOM 0 HA VAL A 11 3.112 6.933 -0.682 1.00 0.00 H new ATOM 0 HB VAL A 11 1.465 5.460 -1.669 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -0.917 5.523 -1.038 1.00 0.00 H new ATOM 0 HG12 VAL A 11 0.115 4.936 0.287 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -0.518 6.599 0.323 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -0.059 7.124 -2.677 1.00 0.00 H new ATOM 0 HG22 VAL A 11 0.399 8.291 -1.414 1.00 0.00 H new ATOM 0 HG23 VAL A 11 1.616 7.719 -2.581 1.00 0.00 H new ATOM 152 N ARG A 12 2.538 9.025 0.458 1.00 0.00 N ATOM 153 CA ARG A 12 2.261 10.257 1.165 1.00 0.00 C ATOM 154 C ARG A 12 1.260 11.082 0.400 1.00 0.00 C ATOM 155 O ARG A 12 1.255 11.074 -0.828 1.00 0.00 O ATOM 156 CB ARG A 12 3.538 11.051 1.430 1.00 0.00 C ATOM 157 CG ARG A 12 4.252 11.534 0.193 1.00 0.00 C ATOM 158 CD ARG A 12 5.435 12.418 0.558 1.00 0.00 C ATOM 159 NE ARG A 12 6.162 12.887 -0.622 1.00 0.00 N ATOM 160 CZ ARG A 12 7.085 13.855 -0.605 1.00 0.00 C ATOM 161 NH1 ARG A 12 7.420 14.442 0.541 1.00 0.00 N ATOM 162 NH2 ARG A 12 7.684 14.224 -1.733 1.00 0.00 N ATOM 0 H ARG A 12 3.295 9.082 -0.223 1.00 0.00 H new ATOM 0 HA ARG A 12 1.833 10.002 2.135 1.00 0.00 H new ATOM 0 HB2 ARG A 12 3.291 11.913 2.049 1.00 0.00 H new ATOM 0 HB3 ARG A 12 4.222 10.429 2.008 1.00 0.00 H new ATOM 0 HG2 ARG A 12 4.598 10.680 -0.389 1.00 0.00 H new ATOM 0 HG3 ARG A 12 3.559 12.090 -0.438 1.00 0.00 H new ATOM 0 HD2 ARG A 12 5.082 13.276 1.129 1.00 0.00 H new ATOM 0 HD3 ARG A 12 6.115 11.863 1.204 1.00 0.00 H new ATOM 0 HE ARG A 12 5.951 12.446 -1.517 1.00 0.00 H new ATOM 0 HH11 ARG A 12 6.972 14.154 1.411 1.00 0.00 H new ATOM 0 HH12 ARG A 12 8.124 15.180 0.549 1.00 0.00 H new ATOM 0 HH21 ARG A 12 7.440 13.769 -2.613 1.00 0.00 H new ATOM 0 HH22 ARG A 12 8.388 14.962 -1.719 1.00 0.00 H new ATOM 176 N ILE A 13 0.425 11.796 1.118 1.00 0.00 N ATOM 177 CA ILE A 13 -0.632 12.569 0.495 1.00 0.00 C ATOM 178 C ILE A 13 -0.525 14.055 0.826 1.00 0.00 C ATOM 179 O ILE A 13 -0.277 14.438 1.971 1.00 0.00 O ATOM 180 CB ILE A 13 -2.026 12.047 0.929 1.00 0.00 C ATOM 181 CG1 ILE A 13 -2.167 12.106 2.459 1.00 0.00 C ATOM 182 CG2 ILE A 13 -2.244 10.626 0.422 1.00 0.00 C ATOM 183 CD1 ILE A 13 -3.548 11.764 2.964 1.00 0.00 C ATOM 0 H ILE A 13 0.454 11.860 2.136 1.00 0.00 H new ATOM 0 HA ILE A 13 -0.516 12.448 -0.582 1.00 0.00 H new ATOM 0 HB ILE A 13 -2.790 12.688 0.489 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -1.448 11.420 2.906 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -1.905 13.108 2.799 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -3.227 10.275 0.735 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -2.185 10.615 -0.666 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -1.476 9.971 0.834 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -3.564 11.829 4.052 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -4.271 12.465 2.548 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -3.807 10.751 2.657 1.00 0.00 H new ATOM 195 N LEU A 14 -0.664 14.874 -0.197 1.00 0.00 N ATOM 196 CA LEU A 14 -0.677 16.316 -0.057 1.00 0.00 C ATOM 197 C LEU A 14 -1.805 16.888 -0.905 1.00 0.00 C ATOM 198 O LEU A 14 -1.925 16.552 -2.086 1.00 0.00 O ATOM 199 CB LEU A 14 0.669 16.913 -0.483 1.00 0.00 C ATOM 200 CG LEU A 14 0.793 18.434 -0.374 1.00 0.00 C ATOM 201 CD1 LEU A 14 0.625 18.884 1.070 1.00 0.00 C ATOM 202 CD2 LEU A 14 2.131 18.896 -0.927 1.00 0.00 C ATOM 0 H LEU A 14 -0.772 14.553 -1.159 1.00 0.00 H new ATOM 0 HA LEU A 14 -0.841 16.574 0.989 1.00 0.00 H new ATOM 0 HB2 LEU A 14 1.453 16.460 0.124 1.00 0.00 H new ATOM 0 HB3 LEU A 14 0.860 16.626 -1.517 1.00 0.00 H new ATOM 0 HG LEU A 14 -0.001 18.889 -0.966 1.00 0.00 H new ATOM 0 HD11 LEU A 14 0.717 19.969 1.126 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -0.358 18.584 1.433 1.00 0.00 H new ATOM 0 HD13 LEU A 14 1.396 18.422 1.687 1.00 0.00 H new ATOM 0 HD21 LEU A 14 2.205 19.980 -0.843 1.00 0.00 H new ATOM 0 HD22 LEU A 14 2.939 18.432 -0.360 1.00 0.00 H new ATOM 0 HD23 LEU A 14 2.211 18.607 -1.975 1.00 0.00 H new ATOM 214 N GLY A 15 -2.632 17.725 -0.323 1.00 0.00 N ATOM 215 CA GLY A 15 -3.715 18.294 -1.079 1.00 0.00 C ATOM 216 C GLY A 15 -4.575 19.213 -0.262 1.00 0.00 C ATOM 217 O GLY A 15 -4.251 19.515 0.892 1.00 0.00 O ATOM 0 H GLY A 15 -2.576 18.021 0.652 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -3.310 18.843 -1.929 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -4.331 17.491 -1.483 1.00 0.00 H new ATOM 221 N MET A 16 -5.678 19.652 -0.857 1.00 0.00 N ATOM 222 CA MET A 16 -6.603 20.569 -0.207 1.00 0.00 C ATOM 223 C MET A 16 -7.197 19.943 1.049 1.00 0.00 C ATOM 224 O MET A 16 -7.341 20.603 2.076 1.00 0.00 O ATOM 225 CB MET A 16 -7.729 20.968 -1.173 1.00 0.00 C ATOM 226 CG MET A 16 -7.273 21.834 -2.346 1.00 0.00 C ATOM 227 SD MET A 16 -6.269 20.928 -3.549 1.00 0.00 S ATOM 228 CE MET A 16 -7.493 19.826 -4.259 1.00 0.00 C ATOM 0 H MET A 16 -5.955 19.382 -1.801 1.00 0.00 H new ATOM 0 HA MET A 16 -6.046 21.461 0.080 1.00 0.00 H new ATOM 0 HB2 MET A 16 -8.194 20.063 -1.564 1.00 0.00 H new ATOM 0 HB3 MET A 16 -8.496 21.506 -0.616 1.00 0.00 H new ATOM 0 HG2 MET A 16 -8.149 22.245 -2.849 1.00 0.00 H new ATOM 0 HG3 MET A 16 -6.699 22.678 -1.965 1.00 0.00 H new ATOM 0 HE1 MET A 16 -7.258 18.797 -3.986 1.00 0.00 H new ATOM 0 HE2 MET A 16 -8.481 20.086 -3.879 1.00 0.00 H new ATOM 0 HE3 MET A 16 -7.485 19.924 -5.345 1.00 0.00 H new ATOM 238 N THR A 17 -7.556 18.678 0.957 1.00 0.00 N ATOM 239 CA THR A 17 -8.073 17.953 2.094 1.00 0.00 C ATOM 240 C THR A 17 -7.511 16.532 2.111 1.00 0.00 C ATOM 241 O THR A 17 -7.729 15.756 1.179 1.00 0.00 O ATOM 242 CB THR A 17 -9.617 17.920 2.072 1.00 0.00 C ATOM 243 OG1 THR A 17 -10.114 19.263 2.028 1.00 0.00 O ATOM 244 CG2 THR A 17 -10.171 17.226 3.310 1.00 0.00 C ATOM 0 H THR A 17 -7.497 18.130 0.099 1.00 0.00 H new ATOM 0 HA THR A 17 -7.759 18.469 3.001 1.00 0.00 H new ATOM 0 HB THR A 17 -9.937 17.363 1.191 1.00 0.00 H new ATOM 0 HG1 THR A 17 -11.094 19.249 2.012 1.00 0.00 H new ATOM 0 HG21 THR A 17 -11.260 17.218 3.266 1.00 0.00 H new ATOM 0 HG22 THR A 17 -9.802 16.201 3.348 1.00 0.00 H new ATOM 0 HG23 THR A 17 -9.848 17.761 4.203 1.00 0.00 H new ATOM 252 N CYS A 18 -6.777 16.209 3.157 1.00 0.00 N ATOM 253 CA CYS A 18 -6.177 14.895 3.297 1.00 0.00 C ATOM 254 C CYS A 18 -7.237 13.812 3.498 1.00 0.00 C ATOM 255 O CYS A 18 -7.141 12.721 2.941 1.00 0.00 O ATOM 256 CB CYS A 18 -5.180 14.891 4.455 1.00 0.00 C ATOM 257 SG CYS A 18 -3.695 15.876 4.144 1.00 0.00 S ATOM 0 H CYS A 18 -6.580 16.845 3.930 1.00 0.00 H new ATOM 0 HA CYS A 18 -5.647 14.668 2.372 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -5.675 15.269 5.349 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -4.885 13.863 4.665 1.00 0.00 H new ATOM 0 HG CYS A 18 -2.910 15.816 5.178 1.00 0.00 H new ATOM 263 N GLN A 19 -8.256 14.125 4.277 1.00 0.00 N ATOM 264 CA GLN A 19 -9.298 13.159 4.588 1.00 0.00 C ATOM 265 C GLN A 19 -10.063 12.733 3.335 1.00 0.00 C ATOM 266 O GLN A 19 -10.353 11.552 3.146 1.00 0.00 O ATOM 267 CB GLN A 19 -10.265 13.742 5.615 1.00 0.00 C ATOM 268 CG GLN A 19 -9.652 13.934 6.991 1.00 0.00 C ATOM 269 CD GLN A 19 -10.577 14.662 7.943 1.00 0.00 C ATOM 270 OE1 GLN A 19 -11.417 15.463 7.525 1.00 0.00 O ATOM 271 NE2 GLN A 19 -10.430 14.398 9.221 1.00 0.00 N ATOM 0 H GLN A 19 -8.386 15.041 4.707 1.00 0.00 H new ATOM 0 HA GLN A 19 -8.816 12.274 5.004 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -10.630 14.703 5.252 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -11.130 13.084 5.701 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -9.397 12.961 7.410 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -8.721 14.493 6.895 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -9.723 13.729 9.525 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -11.023 14.862 9.909 1.00 0.00 H new ATOM 280 N SER A 20 -10.369 13.692 2.473 1.00 0.00 N ATOM 281 CA SER A 20 -11.126 13.411 1.267 1.00 0.00 C ATOM 282 C SER A 20 -10.322 12.595 0.252 1.00 0.00 C ATOM 283 O SER A 20 -10.862 11.691 -0.387 1.00 0.00 O ATOM 284 CB SER A 20 -11.647 14.705 0.648 1.00 0.00 C ATOM 285 OG SER A 20 -10.586 15.576 0.317 1.00 0.00 O ATOM 0 H SER A 20 -10.104 14.670 2.588 1.00 0.00 H new ATOM 0 HA SER A 20 -11.979 12.796 1.555 1.00 0.00 H new ATOM 0 HB2 SER A 20 -12.226 14.476 -0.247 1.00 0.00 H new ATOM 0 HB3 SER A 20 -12.322 15.199 1.346 1.00 0.00 H new ATOM 0 HG SER A 20 -10.394 15.508 -0.642 1.00 0.00 H new ATOM 291 N CYS A 21 -9.028 12.892 0.114 1.00 0.00 N ATOM 292 CA CYS A 21 -8.201 12.151 -0.828 1.00 0.00 C ATOM 293 C CYS A 21 -8.038 10.708 -0.375 1.00 0.00 C ATOM 294 O CYS A 21 -7.980 9.791 -1.201 1.00 0.00 O ATOM 295 CB CYS A 21 -6.841 12.822 -1.030 1.00 0.00 C ATOM 296 SG CYS A 21 -5.813 12.918 0.443 1.00 0.00 S ATOM 0 H CYS A 21 -8.543 13.624 0.632 1.00 0.00 H new ATOM 0 HA CYS A 21 -8.709 12.152 -1.792 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -6.295 12.278 -1.801 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -7.004 13.832 -1.408 1.00 0.00 H new ATOM 0 HG CYS A 21 -6.497 12.524 1.476 1.00 0.00 H new ATOM 302 N VAL A 22 -7.989 10.505 0.947 1.00 0.00 N ATOM 303 CA VAL A 22 -7.920 9.167 1.505 1.00 0.00 C ATOM 304 C VAL A 22 -9.180 8.415 1.137 1.00 0.00 C ATOM 305 O VAL A 22 -9.129 7.280 0.699 1.00 0.00 O ATOM 306 CB VAL A 22 -7.760 9.182 3.051 1.00 0.00 C ATOM 307 CG1 VAL A 22 -7.906 7.778 3.630 1.00 0.00 C ATOM 308 CG2 VAL A 22 -6.416 9.767 3.440 1.00 0.00 C ATOM 0 H VAL A 22 -7.996 11.253 1.641 1.00 0.00 H new ATOM 0 HA VAL A 22 -7.040 8.675 1.090 1.00 0.00 H new ATOM 0 HB VAL A 22 -8.551 9.808 3.464 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -7.790 7.817 4.713 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -8.892 7.384 3.385 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -7.140 7.128 3.206 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -6.321 9.770 4.526 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -5.618 9.164 3.007 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -6.342 10.788 3.067 1.00 0.00 H new ATOM 318 N LYS A 23 -10.309 9.084 1.287 1.00 0.00 N ATOM 319 CA LYS A 23 -11.596 8.488 0.968 1.00 0.00 C ATOM 320 C LYS A 23 -11.693 8.146 -0.513 1.00 0.00 C ATOM 321 O LYS A 23 -12.213 7.089 -0.882 1.00 0.00 O ATOM 322 CB LYS A 23 -12.736 9.426 1.361 1.00 0.00 C ATOM 323 CG LYS A 23 -12.909 9.589 2.858 1.00 0.00 C ATOM 324 CD LYS A 23 -14.050 10.534 3.181 1.00 0.00 C ATOM 325 CE LYS A 23 -14.229 10.698 4.681 1.00 0.00 C ATOM 326 NZ LYS A 23 -14.592 9.417 5.341 1.00 0.00 N ATOM 0 H LYS A 23 -10.362 10.044 1.629 1.00 0.00 H new ATOM 0 HA LYS A 23 -11.683 7.565 1.541 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -12.557 10.405 0.917 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -13.666 9.049 0.937 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -13.100 8.617 3.312 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -11.985 9.969 3.294 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -13.858 11.507 2.728 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -14.973 10.155 2.743 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -13.306 11.082 5.117 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -15.005 11.438 4.875 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -14.902 9.604 6.316 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -15.364 8.962 4.814 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -13.764 8.787 5.356 1.00 0.00 H new ATOM 340 N SER A 24 -11.182 9.035 -1.356 1.00 0.00 N ATOM 341 CA SER A 24 -11.231 8.836 -2.796 1.00 0.00 C ATOM 342 C SER A 24 -10.443 7.591 -3.222 1.00 0.00 C ATOM 343 O SER A 24 -10.938 6.762 -4.000 1.00 0.00 O ATOM 344 CB SER A 24 -10.695 10.079 -3.512 1.00 0.00 C ATOM 345 OG SER A 24 -11.512 11.212 -3.250 1.00 0.00 O ATOM 0 H SER A 24 -10.729 9.901 -1.065 1.00 0.00 H new ATOM 0 HA SER A 24 -12.271 8.677 -3.080 1.00 0.00 H new ATOM 0 HB2 SER A 24 -9.675 10.279 -3.185 1.00 0.00 H new ATOM 0 HB3 SER A 24 -10.656 9.895 -4.586 1.00 0.00 H new ATOM 0 HG SER A 24 -11.399 11.488 -2.317 1.00 0.00 H new ATOM 351 N ILE A 25 -9.236 7.442 -2.694 1.00 0.00 N ATOM 352 CA ILE A 25 -8.411 6.296 -3.030 1.00 0.00 C ATOM 353 C ILE A 25 -8.924 5.029 -2.340 1.00 0.00 C ATOM 354 O ILE A 25 -8.905 3.945 -2.922 1.00 0.00 O ATOM 355 CB ILE A 25 -6.904 6.538 -2.697 1.00 0.00 C ATOM 356 CG1 ILE A 25 -6.035 5.399 -3.246 1.00 0.00 C ATOM 357 CG2 ILE A 25 -6.682 6.709 -1.199 1.00 0.00 C ATOM 358 CD1 ILE A 25 -4.546 5.657 -3.125 1.00 0.00 C ATOM 0 H ILE A 25 -8.811 8.096 -2.037 1.00 0.00 H new ATOM 0 HA ILE A 25 -8.485 6.155 -4.108 1.00 0.00 H new ATOM 0 HB ILE A 25 -6.605 7.466 -3.184 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -6.280 4.479 -2.716 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -6.283 5.238 -4.295 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -5.622 6.875 -1.005 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -7.255 7.564 -0.842 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -7.009 5.810 -0.678 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -3.996 4.809 -3.533 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -4.287 6.559 -3.679 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -4.284 5.788 -2.075 1.00 0.00 H new ATOM 370 N GLU A 26 -9.429 5.194 -1.117 1.00 0.00 N ATOM 371 CA GLU A 26 -9.919 4.082 -0.312 1.00 0.00 C ATOM 372 C GLU A 26 -11.068 3.355 -0.989 1.00 0.00 C ATOM 373 O GLU A 26 -11.093 2.127 -1.025 1.00 0.00 O ATOM 374 CB GLU A 26 -10.378 4.578 1.059 1.00 0.00 C ATOM 375 CG GLU A 26 -10.893 3.481 1.974 1.00 0.00 C ATOM 376 CD GLU A 26 -11.392 4.013 3.294 1.00 0.00 C ATOM 377 OE1 GLU A 26 -12.457 4.669 3.313 1.00 0.00 O ATOM 378 OE2 GLU A 26 -10.735 3.772 4.327 1.00 0.00 O ATOM 0 H GLU A 26 -9.508 6.102 -0.660 1.00 0.00 H new ATOM 0 HA GLU A 26 -9.091 3.383 -0.196 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -9.545 5.083 1.548 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -11.164 5.320 0.921 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -11.700 2.945 1.474 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -10.096 2.760 2.155 1.00 0.00 H new ATOM 385 N ASP A 27 -12.010 4.108 -1.536 1.00 0.00 N ATOM 386 CA ASP A 27 -13.191 3.505 -2.146 1.00 0.00 C ATOM 387 C ASP A 27 -12.808 2.594 -3.306 1.00 0.00 C ATOM 388 O ASP A 27 -13.215 1.422 -3.353 1.00 0.00 O ATOM 389 CB ASP A 27 -14.153 4.586 -2.638 1.00 0.00 C ATOM 390 CG ASP A 27 -15.440 4.009 -3.189 1.00 0.00 C ATOM 391 OD1 ASP A 27 -16.352 3.705 -2.384 1.00 0.00 O ATOM 392 OD2 ASP A 27 -15.554 3.859 -4.419 1.00 0.00 O ATOM 0 H ASP A 27 -11.984 5.127 -1.572 1.00 0.00 H new ATOM 0 HA ASP A 27 -13.686 2.905 -1.382 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -14.385 5.263 -1.816 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -13.664 5.179 -3.411 1.00 0.00 H new ATOM 397 N ARG A 28 -12.005 3.121 -4.225 1.00 0.00 N ATOM 398 CA ARG A 28 -11.574 2.346 -5.380 1.00 0.00 C ATOM 399 C ARG A 28 -10.691 1.163 -4.990 1.00 0.00 C ATOM 400 O ARG A 28 -10.906 0.044 -5.459 1.00 0.00 O ATOM 401 CB ARG A 28 -10.871 3.233 -6.417 1.00 0.00 C ATOM 402 CG ARG A 28 -10.313 2.463 -7.614 1.00 0.00 C ATOM 403 CD ARG A 28 -11.391 1.653 -8.319 1.00 0.00 C ATOM 404 NE ARG A 28 -10.862 0.908 -9.465 1.00 0.00 N ATOM 405 CZ ARG A 28 -11.402 -0.221 -9.941 1.00 0.00 C ATOM 406 NH1 ARG A 28 -12.465 -0.756 -9.347 1.00 0.00 N ATOM 407 NH2 ARG A 28 -10.873 -0.813 -11.005 1.00 0.00 N ATOM 0 H ARG A 28 -11.643 4.074 -4.192 1.00 0.00 H new ATOM 0 HA ARG A 28 -12.476 1.937 -5.835 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -11.575 3.983 -6.776 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -10.056 3.768 -5.930 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -9.865 3.163 -8.319 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -9.519 1.796 -7.279 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -11.841 0.957 -7.611 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -12.183 2.321 -8.656 1.00 0.00 H new ATOM 0 HE ARG A 28 -10.030 1.273 -9.929 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -12.871 -0.306 -8.527 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -12.874 -1.616 -9.712 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -10.055 -0.408 -11.460 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -11.285 -1.673 -11.367 1.00 0.00 H new ATOM 421 N ILE A 29 -9.714 1.400 -4.122 1.00 0.00 N ATOM 422 CA ILE A 29 -8.791 0.337 -3.731 1.00 0.00 C ATOM 423 C ILE A 29 -9.504 -0.776 -2.951 1.00 0.00 C ATOM 424 O ILE A 29 -9.137 -1.934 -3.054 1.00 0.00 O ATOM 425 CB ILE A 29 -7.568 0.872 -2.929 1.00 0.00 C ATOM 426 CG1 ILE A 29 -6.490 -0.212 -2.811 1.00 0.00 C ATOM 427 CG2 ILE A 29 -7.989 1.350 -1.550 1.00 0.00 C ATOM 428 CD1 ILE A 29 -5.180 0.287 -2.237 1.00 0.00 C ATOM 0 H ILE A 29 -9.540 2.303 -3.681 1.00 0.00 H new ATOM 0 HA ILE A 29 -8.409 -0.088 -4.659 1.00 0.00 H new ATOM 0 HB ILE A 29 -7.153 1.722 -3.471 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -6.867 -1.019 -2.183 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -6.305 -0.636 -3.798 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -7.116 1.719 -1.011 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -8.719 2.153 -1.650 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -8.434 0.522 -0.998 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -4.468 -0.537 -2.185 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -4.779 1.073 -2.876 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -5.349 0.684 -1.236 1.00 0.00 H new ATOM 440 N SER A 30 -10.524 -0.417 -2.171 1.00 0.00 N ATOM 441 CA SER A 30 -11.294 -1.413 -1.434 1.00 0.00 C ATOM 442 C SER A 30 -12.050 -2.326 -2.404 1.00 0.00 C ATOM 443 O SER A 30 -12.110 -3.549 -2.220 1.00 0.00 O ATOM 444 CB SER A 30 -12.270 -0.736 -0.467 1.00 0.00 C ATOM 445 OG SER A 30 -11.571 0.015 0.518 1.00 0.00 O ATOM 0 H SER A 30 -10.832 0.546 -2.035 1.00 0.00 H new ATOM 0 HA SER A 30 -10.601 -2.020 -0.851 1.00 0.00 H new ATOM 0 HB2 SER A 30 -12.941 -0.080 -1.022 1.00 0.00 H new ATOM 0 HB3 SER A 30 -12.890 -1.490 0.017 1.00 0.00 H new ATOM 0 HG SER A 30 -11.276 0.866 0.132 1.00 0.00 H new ATOM 451 N ASN A 31 -12.618 -1.728 -3.446 1.00 0.00 N ATOM 452 CA ASN A 31 -13.343 -2.494 -4.449 1.00 0.00 C ATOM 453 C ASN A 31 -12.398 -3.318 -5.300 1.00 0.00 C ATOM 454 O ASN A 31 -12.772 -4.374 -5.816 1.00 0.00 O ATOM 455 CB ASN A 31 -14.210 -1.591 -5.323 1.00 0.00 C ATOM 456 CG ASN A 31 -15.410 -1.050 -4.574 1.00 0.00 C ATOM 457 OD1 ASN A 31 -15.887 -1.664 -3.615 1.00 0.00 O ATOM 458 ND2 ASN A 31 -15.911 0.090 -5.002 1.00 0.00 N ATOM 0 H ASN A 31 -12.590 -0.723 -3.616 1.00 0.00 H new ATOM 0 HA ASN A 31 -14.004 -3.179 -3.918 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -13.609 -0.760 -5.692 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -14.550 -2.150 -6.195 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -16.723 0.497 -4.537 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -15.487 0.566 -5.798 1.00 0.00 H new ATOM 465 N LEU A 32 -11.169 -2.850 -5.427 1.00 0.00 N ATOM 466 CA LEU A 32 -10.171 -3.562 -6.188 1.00 0.00 C ATOM 467 C LEU A 32 -9.567 -4.660 -5.331 1.00 0.00 C ATOM 468 O LEU A 32 -8.976 -4.402 -4.289 1.00 0.00 O ATOM 469 CB LEU A 32 -9.077 -2.606 -6.676 1.00 0.00 C ATOM 470 CG LEU A 32 -7.956 -3.245 -7.506 1.00 0.00 C ATOM 471 CD1 LEU A 32 -8.511 -3.860 -8.784 1.00 0.00 C ATOM 472 CD2 LEU A 32 -6.882 -2.221 -7.828 1.00 0.00 C ATOM 0 H LEU A 32 -10.843 -1.978 -5.010 1.00 0.00 H new ATOM 0 HA LEU A 32 -10.646 -4.007 -7.062 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -9.544 -1.823 -7.273 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -8.630 -2.121 -5.808 1.00 0.00 H new ATOM 0 HG LEU A 32 -7.506 -4.042 -6.914 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -7.698 -4.307 -9.356 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -9.241 -4.628 -8.531 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -8.992 -3.085 -9.382 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -6.095 -2.692 -8.417 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -7.320 -1.401 -8.397 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -6.459 -1.834 -6.901 1.00 0.00 H new ATOM 484 N LYS A 33 -9.752 -5.875 -5.752 1.00 0.00 N ATOM 485 CA LYS A 33 -9.235 -7.008 -5.030 1.00 0.00 C ATOM 486 C LYS A 33 -7.801 -7.311 -5.439 1.00 0.00 C ATOM 487 O LYS A 33 -7.378 -6.976 -6.548 1.00 0.00 O ATOM 488 CB LYS A 33 -10.155 -8.212 -5.198 1.00 0.00 C ATOM 489 CG LYS A 33 -11.573 -7.937 -4.703 1.00 0.00 C ATOM 490 CD LYS A 33 -11.587 -7.630 -3.205 1.00 0.00 C ATOM 491 CE LYS A 33 -12.986 -7.293 -2.706 1.00 0.00 C ATOM 492 NZ LYS A 33 -13.475 -5.992 -3.243 1.00 0.00 N ATOM 0 H LYS A 33 -10.263 -6.113 -6.602 1.00 0.00 H new ATOM 0 HA LYS A 33 -9.211 -6.765 -3.968 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -10.189 -8.495 -6.250 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -9.741 -9.060 -4.653 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -11.996 -7.096 -5.253 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -12.206 -8.801 -4.906 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -11.203 -8.489 -2.655 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -10.918 -6.795 -3.000 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -13.675 -8.086 -2.996 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -12.983 -7.257 -1.617 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -14.430 -5.803 -2.878 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -12.833 -5.230 -2.945 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -13.504 -6.034 -4.282 1.00 0.00 H new ATOM 506 N GLY A 34 -7.064 -7.936 -4.548 1.00 0.00 N ATOM 507 CA GLY A 34 -5.665 -8.212 -4.794 1.00 0.00 C ATOM 508 C GLY A 34 -4.778 -7.515 -3.788 1.00 0.00 C ATOM 509 O GLY A 34 -3.560 -7.728 -3.757 1.00 0.00 O ATOM 0 H GLY A 34 -7.410 -8.263 -3.646 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -5.492 -9.287 -4.750 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -5.400 -7.888 -5.800 1.00 0.00 H new ATOM 513 N ILE A 35 -5.389 -6.688 -2.957 1.00 0.00 N ATOM 514 CA ILE A 35 -4.685 -6.032 -1.876 1.00 0.00 C ATOM 515 C ILE A 35 -5.014 -6.763 -0.588 1.00 0.00 C ATOM 516 O ILE A 35 -6.159 -6.746 -0.132 1.00 0.00 O ATOM 517 CB ILE A 35 -5.078 -4.525 -1.728 1.00 0.00 C ATOM 518 CG1 ILE A 35 -4.810 -3.737 -3.022 1.00 0.00 C ATOM 519 CG2 ILE A 35 -4.342 -3.884 -0.560 1.00 0.00 C ATOM 520 CD1 ILE A 35 -5.906 -3.849 -4.058 1.00 0.00 C ATOM 0 H ILE A 35 -6.380 -6.455 -3.014 1.00 0.00 H new ATOM 0 HA ILE A 35 -3.618 -6.064 -2.096 1.00 0.00 H new ATOM 0 HB ILE A 35 -6.149 -4.490 -1.530 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -4.670 -2.686 -2.771 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -3.875 -4.087 -3.460 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -4.632 -2.837 -0.478 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -4.599 -4.405 0.362 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -3.267 -3.951 -0.727 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -5.637 -3.264 -4.937 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -6.033 -4.894 -4.342 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -6.840 -3.470 -3.642 1.00 0.00 H new ATOM 532 N ILE A 36 -4.026 -7.416 -0.013 1.00 0.00 N ATOM 533 CA ILE A 36 -4.247 -8.212 1.178 1.00 0.00 C ATOM 534 C ILE A 36 -4.493 -7.346 2.418 1.00 0.00 C ATOM 535 O ILE A 36 -5.321 -7.686 3.263 1.00 0.00 O ATOM 536 CB ILE A 36 -3.086 -9.221 1.426 1.00 0.00 C ATOM 537 CG1 ILE A 36 -3.412 -10.153 2.600 1.00 0.00 C ATOM 538 CG2 ILE A 36 -1.765 -8.503 1.652 1.00 0.00 C ATOM 539 CD1 ILE A 36 -2.413 -11.278 2.784 1.00 0.00 C ATOM 0 H ILE A 36 -3.063 -7.412 -0.350 1.00 0.00 H new ATOM 0 HA ILE A 36 -5.155 -8.787 0.997 1.00 0.00 H new ATOM 0 HB ILE A 36 -2.980 -9.830 0.528 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -3.456 -9.565 3.517 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -4.403 -10.581 2.448 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -0.977 -9.236 1.822 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -1.521 -7.905 0.774 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -1.849 -7.852 2.522 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -2.711 -11.894 3.633 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -2.385 -11.891 1.883 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -1.424 -10.859 2.969 1.00 0.00 H new ATOM 551 N SER A 37 -3.779 -6.235 2.533 1.00 0.00 N ATOM 552 CA SER A 37 -3.942 -5.358 3.681 1.00 0.00 C ATOM 553 C SER A 37 -3.622 -3.906 3.326 1.00 0.00 C ATOM 554 O SER A 37 -2.748 -3.636 2.505 1.00 0.00 O ATOM 555 CB SER A 37 -3.048 -5.836 4.831 1.00 0.00 C ATOM 556 OG SER A 37 -3.367 -7.176 5.194 1.00 0.00 O ATOM 0 H SER A 37 -3.087 -5.922 1.851 1.00 0.00 H new ATOM 0 HA SER A 37 -4.985 -5.398 3.994 1.00 0.00 H new ATOM 0 HB2 SER A 37 -2.001 -5.774 4.534 1.00 0.00 H new ATOM 0 HB3 SER A 37 -3.174 -5.181 5.693 1.00 0.00 H new ATOM 0 HG SER A 37 -2.785 -7.463 5.928 1.00 0.00 H new ATOM 562 N MET A 38 -4.342 -2.981 3.937 1.00 0.00 N ATOM 563 CA MET A 38 -4.093 -1.561 3.742 1.00 0.00 C ATOM 564 C MET A 38 -4.370 -0.808 5.029 1.00 0.00 C ATOM 565 O MET A 38 -5.443 -0.953 5.619 1.00 0.00 O ATOM 566 CB MET A 38 -4.972 -0.994 2.626 1.00 0.00 C ATOM 567 CG MET A 38 -4.737 0.489 2.369 1.00 0.00 C ATOM 568 SD MET A 38 -5.875 1.180 1.161 1.00 0.00 S ATOM 569 CE MET A 38 -7.403 1.176 2.099 1.00 0.00 C ATOM 0 H MET A 38 -5.109 -3.189 4.577 1.00 0.00 H new ATOM 0 HA MET A 38 -3.048 -1.438 3.457 1.00 0.00 H new ATOM 0 HB2 MET A 38 -4.784 -1.549 1.707 1.00 0.00 H new ATOM 0 HB3 MET A 38 -6.020 -1.150 2.884 1.00 0.00 H new ATOM 0 HG2 MET A 38 -4.836 1.035 3.307 1.00 0.00 H new ATOM 0 HG3 MET A 38 -3.714 0.635 2.022 1.00 0.00 H new ATOM 0 HE1 MET A 38 -8.112 0.488 1.637 1.00 0.00 H new ATOM 0 HE2 MET A 38 -7.201 0.857 3.122 1.00 0.00 H new ATOM 0 HE3 MET A 38 -7.826 2.180 2.109 1.00 0.00 H new ATOM 579 N LYS A 39 -3.411 -0.017 5.463 1.00 0.00 N ATOM 580 CA LYS A 39 -3.553 0.777 6.673 1.00 0.00 C ATOM 581 C LYS A 39 -3.055 2.190 6.423 1.00 0.00 C ATOM 582 O LYS A 39 -2.093 2.385 5.689 1.00 0.00 O ATOM 583 CB LYS A 39 -2.774 0.135 7.832 1.00 0.00 C ATOM 584 CG LYS A 39 -3.234 -1.276 8.183 1.00 0.00 C ATOM 585 CD LYS A 39 -4.650 -1.277 8.746 1.00 0.00 C ATOM 586 CE LYS A 39 -5.144 -2.690 9.025 1.00 0.00 C ATOM 587 NZ LYS A 39 -4.297 -3.403 10.014 1.00 0.00 N ATOM 0 H LYS A 39 -2.513 0.096 4.992 1.00 0.00 H new ATOM 0 HA LYS A 39 -4.607 0.815 6.947 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -1.716 0.107 7.573 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -2.870 0.767 8.715 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -3.194 -1.905 7.293 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -2.551 -1.712 8.912 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -4.676 -0.694 9.667 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -5.322 -0.789 8.041 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -6.169 -2.647 9.393 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -5.163 -3.255 8.093 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -4.748 -4.304 10.271 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -3.362 -3.589 9.600 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -4.188 -2.815 10.865 1.00 0.00 H new ATOM 601 N VAL A 40 -3.690 3.170 7.024 1.00 0.00 N ATOM 602 CA VAL A 40 -3.265 4.543 6.835 1.00 0.00 C ATOM 603 C VAL A 40 -2.889 5.196 8.158 1.00 0.00 C ATOM 604 O VAL A 40 -3.639 5.144 9.136 1.00 0.00 O ATOM 605 CB VAL A 40 -4.343 5.399 6.092 1.00 0.00 C ATOM 606 CG1 VAL A 40 -5.665 5.410 6.844 1.00 0.00 C ATOM 607 CG2 VAL A 40 -3.846 6.824 5.870 1.00 0.00 C ATOM 0 H VAL A 40 -4.493 3.048 7.641 1.00 0.00 H new ATOM 0 HA VAL A 40 -2.378 4.508 6.203 1.00 0.00 H new ATOM 0 HB VAL A 40 -4.515 4.934 5.121 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -6.389 6.014 6.298 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -6.039 4.391 6.937 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -5.515 5.833 7.837 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -4.613 7.400 5.352 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -3.632 7.289 6.832 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -2.938 6.803 5.267 1.00 0.00 H new ATOM 617 N SER A 41 -1.717 5.792 8.184 1.00 0.00 N ATOM 618 CA SER A 41 -1.249 6.485 9.352 1.00 0.00 C ATOM 619 C SER A 41 -1.456 7.985 9.177 1.00 0.00 C ATOM 620 O SER A 41 -0.661 8.669 8.521 1.00 0.00 O ATOM 621 CB SER A 41 0.223 6.144 9.612 1.00 0.00 C ATOM 622 OG SER A 41 0.984 6.197 8.408 1.00 0.00 O ATOM 0 H SER A 41 -1.068 5.807 7.397 1.00 0.00 H new ATOM 0 HA SER A 41 -1.821 6.164 10.223 1.00 0.00 H new ATOM 0 HB2 SER A 41 0.638 6.842 10.339 1.00 0.00 H new ATOM 0 HB3 SER A 41 0.297 5.148 10.049 1.00 0.00 H new ATOM 0 HG SER A 41 0.534 6.780 7.762 1.00 0.00 H new ATOM 628 N LEU A 42 -2.540 8.482 9.747 1.00 0.00 N ATOM 629 CA LEU A 42 -2.911 9.883 9.626 1.00 0.00 C ATOM 630 C LEU A 42 -1.877 10.787 10.273 1.00 0.00 C ATOM 631 O LEU A 42 -1.557 11.844 9.745 1.00 0.00 O ATOM 632 CB LEU A 42 -4.297 10.122 10.230 1.00 0.00 C ATOM 633 CG LEU A 42 -5.465 9.469 9.478 1.00 0.00 C ATOM 634 CD1 LEU A 42 -6.757 9.622 10.257 1.00 0.00 C ATOM 635 CD2 LEU A 42 -5.610 10.069 8.085 1.00 0.00 C ATOM 0 H LEU A 42 -3.188 7.927 10.306 1.00 0.00 H new ATOM 0 HA LEU A 42 -2.947 10.131 8.565 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -4.296 9.753 11.256 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -4.473 11.197 10.278 1.00 0.00 H new ATOM 0 HG LEU A 42 -5.250 8.405 9.375 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -7.572 9.152 9.706 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -6.654 9.143 11.231 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -6.975 10.681 10.395 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -6.443 9.593 7.569 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -5.799 11.139 8.168 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -4.692 9.905 7.521 1.00 0.00 H new ATOM 647 N GLU A 43 -1.347 10.360 11.411 1.00 0.00 N ATOM 648 CA GLU A 43 -0.331 11.135 12.116 1.00 0.00 C ATOM 649 C GLU A 43 0.962 11.229 11.294 1.00 0.00 C ATOM 650 O GLU A 43 1.769 12.139 11.479 1.00 0.00 O ATOM 651 CB GLU A 43 -0.033 10.515 13.485 1.00 0.00 C ATOM 652 CG GLU A 43 0.595 9.128 13.417 1.00 0.00 C ATOM 653 CD GLU A 43 1.004 8.610 14.775 1.00 0.00 C ATOM 654 OE1 GLU A 43 2.041 9.068 15.302 1.00 0.00 O ATOM 655 OE2 GLU A 43 0.303 7.743 15.326 1.00 0.00 O ATOM 0 H GLU A 43 -1.602 9.483 11.866 1.00 0.00 H new ATOM 0 HA GLU A 43 -0.723 12.142 12.260 1.00 0.00 H new ATOM 0 HB2 GLU A 43 0.635 11.178 14.034 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -0.961 10.454 14.054 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -0.114 8.434 12.966 1.00 0.00 H new ATOM 0 HG3 GLU A 43 1.469 9.160 12.766 1.00 0.00 H new ATOM 662 N GLN A 44 1.150 10.275 10.400 1.00 0.00 N ATOM 663 CA GLN A 44 2.329 10.235 9.559 1.00 0.00 C ATOM 664 C GLN A 44 2.117 11.036 8.274 1.00 0.00 C ATOM 665 O GLN A 44 3.069 11.559 7.692 1.00 0.00 O ATOM 666 CB GLN A 44 2.690 8.786 9.228 1.00 0.00 C ATOM 667 CG GLN A 44 3.954 8.636 8.402 1.00 0.00 C ATOM 668 CD GLN A 44 5.183 9.128 9.130 1.00 0.00 C ATOM 669 OE1 GLN A 44 5.822 8.379 9.868 1.00 0.00 O ATOM 670 NE2 GLN A 44 5.520 10.384 8.932 1.00 0.00 N ATOM 0 H GLN A 44 0.493 9.511 10.238 1.00 0.00 H new ATOM 0 HA GLN A 44 3.154 10.691 10.107 1.00 0.00 H new ATOM 0 HB2 GLN A 44 2.809 8.231 10.158 1.00 0.00 H new ATOM 0 HB3 GLN A 44 1.860 8.330 8.688 1.00 0.00 H new ATOM 0 HG2 GLN A 44 4.088 7.587 8.137 1.00 0.00 H new ATOM 0 HG3 GLN A 44 3.842 9.189 7.469 1.00 0.00 H new ATOM 0 HE21 GLN A 44 4.962 10.970 8.311 1.00 0.00 H new ATOM 0 HE22 GLN A 44 6.340 10.772 9.399 1.00 0.00 H new ATOM 679 N GLY A 45 0.864 11.133 7.841 1.00 0.00 N ATOM 680 CA GLY A 45 0.562 11.815 6.594 1.00 0.00 C ATOM 681 C GLY A 45 0.849 10.924 5.402 1.00 0.00 C ATOM 682 O GLY A 45 1.002 11.397 4.270 1.00 0.00 O ATOM 0 H GLY A 45 0.053 10.753 8.330 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -0.486 12.115 6.584 1.00 0.00 H new ATOM 0 HA3 GLY A 45 1.155 12.727 6.522 1.00 0.00 H new ATOM 686 N SER A 46 0.912 9.627 5.668 1.00 0.00 N ATOM 687 CA SER A 46 1.228 8.638 4.663 1.00 0.00 C ATOM 688 C SER A 46 0.439 7.356 4.934 1.00 0.00 C ATOM 689 O SER A 46 0.033 7.094 6.073 1.00 0.00 O ATOM 690 CB SER A 46 2.741 8.355 4.667 1.00 0.00 C ATOM 691 OG SER A 46 3.101 7.417 3.668 1.00 0.00 O ATOM 0 H SER A 46 0.743 9.235 6.595 1.00 0.00 H new ATOM 0 HA SER A 46 0.949 9.017 3.680 1.00 0.00 H new ATOM 0 HB2 SER A 46 3.286 9.285 4.506 1.00 0.00 H new ATOM 0 HB3 SER A 46 3.038 7.977 5.645 1.00 0.00 H new ATOM 0 HG SER A 46 4.059 7.494 3.477 1.00 0.00 H new ATOM 697 N ALA A 47 0.207 6.578 3.895 1.00 0.00 N ATOM 698 CA ALA A 47 -0.542 5.339 4.014 1.00 0.00 C ATOM 699 C ALA A 47 0.323 4.152 3.623 1.00 0.00 C ATOM 700 O ALA A 47 1.213 4.276 2.798 1.00 0.00 O ATOM 701 CB ALA A 47 -1.790 5.390 3.145 1.00 0.00 C ATOM 0 H ALA A 47 0.529 6.784 2.949 1.00 0.00 H new ATOM 0 HA ALA A 47 -0.844 5.218 5.054 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -2.341 4.455 3.244 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -2.422 6.219 3.464 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -1.502 5.533 2.103 1.00 0.00 H new ATOM 707 N THR A 48 0.058 3.012 4.223 1.00 0.00 N ATOM 708 CA THR A 48 0.810 1.803 3.955 1.00 0.00 C ATOM 709 C THR A 48 -0.087 0.785 3.259 1.00 0.00 C ATOM 710 O THR A 48 -1.173 0.464 3.749 1.00 0.00 O ATOM 711 CB THR A 48 1.338 1.198 5.274 1.00 0.00 C ATOM 712 OG1 THR A 48 2.152 2.166 5.952 1.00 0.00 O ATOM 713 CG2 THR A 48 2.165 -0.055 5.009 1.00 0.00 C ATOM 0 H THR A 48 -0.686 2.896 4.911 1.00 0.00 H new ATOM 0 HA THR A 48 1.654 2.051 3.312 1.00 0.00 H new ATOM 0 HB THR A 48 0.483 0.926 5.893 1.00 0.00 H new ATOM 0 HG1 THR A 48 2.486 1.783 6.790 1.00 0.00 H new ATOM 0 HG21 THR A 48 2.524 -0.460 5.955 1.00 0.00 H new ATOM 0 HG22 THR A 48 1.547 -0.799 4.507 1.00 0.00 H new ATOM 0 HG23 THR A 48 3.016 0.198 4.376 1.00 0.00 H new ATOM 721 N VAL A 49 0.358 0.281 2.132 1.00 0.00 N ATOM 722 CA VAL A 49 -0.426 -0.677 1.387 1.00 0.00 C ATOM 723 C VAL A 49 0.364 -1.964 1.158 1.00 0.00 C ATOM 724 O VAL A 49 1.565 -1.931 0.870 1.00 0.00 O ATOM 725 CB VAL A 49 -0.910 -0.084 0.030 1.00 0.00 C ATOM 726 CG1 VAL A 49 0.262 0.272 -0.877 1.00 0.00 C ATOM 727 CG2 VAL A 49 -1.875 -1.033 -0.669 1.00 0.00 C ATOM 0 H VAL A 49 1.257 0.517 1.711 1.00 0.00 H new ATOM 0 HA VAL A 49 -1.308 -0.914 1.982 1.00 0.00 H new ATOM 0 HB VAL A 49 -1.445 0.840 0.250 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -0.115 0.683 -1.814 1.00 0.00 H new ATOM 0 HG12 VAL A 49 0.892 1.012 -0.384 1.00 0.00 H new ATOM 0 HG13 VAL A 49 0.848 -0.624 -1.083 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -2.197 -0.594 -1.613 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -1.376 -1.983 -0.862 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -2.744 -1.202 -0.033 1.00 0.00 H new ATOM 737 N LYS A 50 -0.309 -3.088 1.329 1.00 0.00 N ATOM 738 CA LYS A 50 0.291 -4.391 1.147 1.00 0.00 C ATOM 739 C LYS A 50 -0.534 -5.180 0.136 1.00 0.00 C ATOM 740 O LYS A 50 -1.710 -5.474 0.373 1.00 0.00 O ATOM 741 CB LYS A 50 0.337 -5.112 2.496 1.00 0.00 C ATOM 742 CG LYS A 50 0.992 -6.477 2.470 1.00 0.00 C ATOM 743 CD LYS A 50 1.014 -7.079 3.862 1.00 0.00 C ATOM 744 CE LYS A 50 1.662 -8.446 3.872 1.00 0.00 C ATOM 745 NZ LYS A 50 1.690 -9.027 5.234 1.00 0.00 N ATOM 0 H LYS A 50 -1.292 -3.119 1.599 1.00 0.00 H new ATOM 0 HA LYS A 50 1.309 -4.295 0.768 1.00 0.00 H new ATOM 0 HB2 LYS A 50 0.870 -4.483 3.209 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -0.682 -5.222 2.867 1.00 0.00 H new ATOM 0 HG2 LYS A 50 0.450 -7.135 1.791 1.00 0.00 H new ATOM 0 HG3 LYS A 50 2.009 -6.392 2.087 1.00 0.00 H new ATOM 0 HD2 LYS A 50 1.555 -6.415 4.537 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -0.005 -7.157 4.241 1.00 0.00 H new ATOM 0 HE2 LYS A 50 1.117 -9.112 3.203 1.00 0.00 H new ATOM 0 HE3 LYS A 50 2.679 -8.370 3.487 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 2.141 -9.964 5.203 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 2.231 -8.403 5.866 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 0.718 -9.123 5.591 1.00 0.00 H new ATOM 759 N TYR A 51 0.079 -5.533 -0.971 1.00 0.00 N ATOM 760 CA TYR A 51 -0.630 -6.188 -2.058 1.00 0.00 C ATOM 761 C TYR A 51 0.304 -7.082 -2.855 1.00 0.00 C ATOM 762 O TYR A 51 1.520 -6.998 -2.715 1.00 0.00 O ATOM 763 CB TYR A 51 -1.228 -5.118 -2.986 1.00 0.00 C ATOM 764 CG TYR A 51 -0.178 -4.240 -3.650 1.00 0.00 C ATOM 765 CD1 TYR A 51 0.291 -3.087 -3.030 1.00 0.00 C ATOM 766 CD2 TYR A 51 0.354 -4.575 -4.884 1.00 0.00 C ATOM 767 CE1 TYR A 51 1.256 -2.299 -3.628 1.00 0.00 C ATOM 768 CE2 TYR A 51 1.318 -3.795 -5.482 1.00 0.00 C ATOM 769 CZ TYR A 51 1.765 -2.662 -4.854 1.00 0.00 C ATOM 770 OH TYR A 51 2.728 -1.891 -5.454 1.00 0.00 O ATOM 0 H TYR A 51 1.072 -5.379 -1.147 1.00 0.00 H new ATOM 0 HA TYR A 51 -1.422 -6.807 -1.636 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -1.822 -5.608 -3.757 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -1.908 -4.488 -2.412 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -0.105 -2.803 -2.066 1.00 0.00 H new ATOM 0 HD2 TYR A 51 0.006 -5.465 -5.387 1.00 0.00 H new ATOM 0 HE1 TYR A 51 1.608 -1.404 -3.136 1.00 0.00 H new ATOM 0 HE2 TYR A 51 1.721 -4.075 -6.444 1.00 0.00 H new ATOM 0 HH TYR A 51 2.978 -2.290 -6.314 1.00 0.00 H new ATOM 780 N VAL A 52 -0.267 -7.951 -3.670 1.00 0.00 N ATOM 781 CA VAL A 52 0.526 -8.778 -4.559 1.00 0.00 C ATOM 782 C VAL A 52 0.976 -7.918 -5.746 1.00 0.00 C ATOM 783 O VAL A 52 0.138 -7.368 -6.469 1.00 0.00 O ATOM 784 CB VAL A 52 -0.273 -10.001 -5.072 1.00 0.00 C ATOM 785 CG1 VAL A 52 0.597 -10.883 -5.961 1.00 0.00 C ATOM 786 CG2 VAL A 52 -0.834 -10.801 -3.905 1.00 0.00 C ATOM 0 H VAL A 52 -1.274 -8.101 -3.734 1.00 0.00 H new ATOM 0 HA VAL A 52 1.386 -9.159 -4.009 1.00 0.00 H new ATOM 0 HB VAL A 52 -1.108 -9.636 -5.671 1.00 0.00 H new ATOM 0 HG11 VAL A 52 0.014 -11.736 -6.309 1.00 0.00 H new ATOM 0 HG12 VAL A 52 0.944 -10.306 -6.818 1.00 0.00 H new ATOM 0 HG13 VAL A 52 1.456 -11.239 -5.392 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -1.392 -11.656 -4.285 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -0.015 -11.152 -3.277 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -1.497 -10.168 -3.315 1.00 0.00 H new ATOM 796 N PRO A 53 2.297 -7.797 -5.970 1.00 0.00 N ATOM 797 CA PRO A 53 2.855 -6.896 -6.998 1.00 0.00 C ATOM 798 C PRO A 53 2.385 -7.212 -8.419 1.00 0.00 C ATOM 799 O PRO A 53 2.291 -6.319 -9.260 1.00 0.00 O ATOM 800 CB PRO A 53 4.373 -7.110 -6.877 1.00 0.00 C ATOM 801 CG PRO A 53 4.523 -8.421 -6.182 1.00 0.00 C ATOM 802 CD PRO A 53 3.354 -8.525 -5.249 1.00 0.00 C ATOM 0 HA PRO A 53 2.531 -5.869 -6.833 1.00 0.00 H new ATOM 0 HB2 PRO A 53 4.849 -7.126 -7.858 1.00 0.00 H new ATOM 0 HB3 PRO A 53 4.841 -6.306 -6.309 1.00 0.00 H new ATOM 0 HG2 PRO A 53 4.527 -9.244 -6.897 1.00 0.00 H new ATOM 0 HG3 PRO A 53 5.465 -8.468 -5.635 1.00 0.00 H new ATOM 0 HD2 PRO A 53 3.076 -9.562 -5.063 1.00 0.00 H new ATOM 0 HD3 PRO A 53 3.568 -8.073 -4.280 1.00 0.00 H new ATOM 810 N SER A 54 2.069 -8.462 -8.676 1.00 0.00 N ATOM 811 CA SER A 54 1.642 -8.874 -10.001 1.00 0.00 C ATOM 812 C SER A 54 0.137 -8.655 -10.206 1.00 0.00 C ATOM 813 O SER A 54 -0.371 -8.776 -11.322 1.00 0.00 O ATOM 814 CB SER A 54 2.001 -10.339 -10.228 1.00 0.00 C ATOM 815 OG SER A 54 3.405 -10.542 -10.112 1.00 0.00 O ATOM 0 H SER A 54 2.099 -9.213 -7.987 1.00 0.00 H new ATOM 0 HA SER A 54 2.165 -8.256 -10.731 1.00 0.00 H new ATOM 0 HB2 SER A 54 1.478 -10.962 -9.502 1.00 0.00 H new ATOM 0 HB3 SER A 54 1.665 -10.651 -11.217 1.00 0.00 H new ATOM 0 HG SER A 54 3.612 -11.488 -10.260 1.00 0.00 H new ATOM 821 N VAL A 55 -0.566 -8.326 -9.133 1.00 0.00 N ATOM 822 CA VAL A 55 -2.006 -8.120 -9.209 1.00 0.00 C ATOM 823 C VAL A 55 -2.357 -6.633 -9.297 1.00 0.00 C ATOM 824 O VAL A 55 -3.228 -6.236 -10.076 1.00 0.00 O ATOM 825 CB VAL A 55 -2.737 -8.750 -7.996 1.00 0.00 C ATOM 826 CG1 VAL A 55 -4.239 -8.520 -8.087 1.00 0.00 C ATOM 827 CG2 VAL A 55 -2.434 -10.237 -7.904 1.00 0.00 C ATOM 0 H VAL A 55 -0.166 -8.196 -8.204 1.00 0.00 H new ATOM 0 HA VAL A 55 -2.343 -8.616 -10.119 1.00 0.00 H new ATOM 0 HB VAL A 55 -2.372 -8.264 -7.092 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -4.729 -8.972 -7.224 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -4.443 -7.449 -8.101 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -4.622 -8.974 -9.001 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -2.956 -10.662 -7.047 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -2.768 -10.733 -8.815 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -1.360 -10.383 -7.784 1.00 0.00 H new ATOM 837 N VAL A 56 -1.676 -5.822 -8.505 1.00 0.00 N ATOM 838 CA VAL A 56 -1.951 -4.389 -8.441 1.00 0.00 C ATOM 839 C VAL A 56 -0.682 -3.582 -8.709 1.00 0.00 C ATOM 840 O VAL A 56 0.399 -3.942 -8.240 1.00 0.00 O ATOM 841 CB VAL A 56 -2.530 -3.994 -7.055 1.00 0.00 C ATOM 842 CG1 VAL A 56 -2.817 -2.499 -6.982 1.00 0.00 C ATOM 843 CG2 VAL A 56 -3.785 -4.797 -6.751 1.00 0.00 C ATOM 0 H VAL A 56 -0.922 -6.131 -7.891 1.00 0.00 H new ATOM 0 HA VAL A 56 -2.689 -4.162 -9.210 1.00 0.00 H new ATOM 0 HB VAL A 56 -1.779 -4.227 -6.300 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -3.221 -2.254 -6.000 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -1.894 -1.943 -7.144 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -3.542 -2.230 -7.750 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -4.176 -4.506 -5.776 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -4.536 -4.601 -7.516 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -3.544 -5.860 -6.743 1.00 0.00 H new ATOM 853 N CYS A 57 -0.800 -2.528 -9.501 1.00 0.00 N ATOM 854 CA CYS A 57 0.339 -1.677 -9.786 1.00 0.00 C ATOM 855 C CYS A 57 0.229 -0.345 -9.031 1.00 0.00 C ATOM 856 O CYS A 57 -0.872 0.090 -8.671 1.00 0.00 O ATOM 857 CB CYS A 57 0.470 -1.433 -11.291 1.00 0.00 C ATOM 858 SG CYS A 57 -0.876 -0.473 -12.018 1.00 0.00 S ATOM 0 H CYS A 57 -1.669 -2.244 -9.954 1.00 0.00 H new ATOM 0 HA CYS A 57 1.237 -2.190 -9.442 1.00 0.00 H new ATOM 0 HB2 CYS A 57 1.411 -0.917 -11.481 1.00 0.00 H new ATOM 0 HB3 CYS A 57 0.527 -2.396 -11.798 1.00 0.00 H new ATOM 0 HG CYS A 57 -0.664 -0.324 -13.292 1.00 0.00 H new ATOM 864 N LEU A 58 1.371 0.292 -8.806 1.00 0.00 N ATOM 865 CA LEU A 58 1.443 1.558 -8.074 1.00 0.00 C ATOM 866 C LEU A 58 0.710 2.681 -8.798 1.00 0.00 C ATOM 867 O LEU A 58 0.036 3.499 -8.173 1.00 0.00 O ATOM 868 CB LEU A 58 2.904 1.957 -7.858 1.00 0.00 C ATOM 869 CG LEU A 58 3.698 1.088 -6.884 1.00 0.00 C ATOM 870 CD1 LEU A 58 5.173 1.447 -6.939 1.00 0.00 C ATOM 871 CD2 LEU A 58 3.165 1.254 -5.468 1.00 0.00 C ATOM 0 H LEU A 58 2.277 -0.052 -9.125 1.00 0.00 H new ATOM 0 HA LEU A 58 0.953 1.405 -7.112 1.00 0.00 H new ATOM 0 HB2 LEU A 58 3.411 1.942 -8.823 1.00 0.00 H new ATOM 0 HB3 LEU A 58 2.930 2.986 -7.500 1.00 0.00 H new ATOM 0 HG LEU A 58 3.583 0.044 -7.177 1.00 0.00 H new ATOM 0 HD11 LEU A 58 5.726 0.820 -6.240 1.00 0.00 H new ATOM 0 HD12 LEU A 58 5.550 1.284 -7.949 1.00 0.00 H new ATOM 0 HD13 LEU A 58 5.303 2.495 -6.668 1.00 0.00 H new ATOM 0 HD21 LEU A 58 3.741 0.628 -4.787 1.00 0.00 H new ATOM 0 HD22 LEU A 58 3.254 2.297 -5.166 1.00 0.00 H new ATOM 0 HD23 LEU A 58 2.117 0.955 -5.436 1.00 0.00 H new ATOM 883 N GLN A 59 0.839 2.716 -10.109 1.00 0.00 N ATOM 884 CA GLN A 59 0.224 3.766 -10.906 1.00 0.00 C ATOM 885 C GLN A 59 -1.291 3.756 -10.834 1.00 0.00 C ATOM 886 O GLN A 59 -1.909 4.813 -10.810 1.00 0.00 O ATOM 887 CB GLN A 59 0.705 3.738 -12.351 1.00 0.00 C ATOM 888 CG GLN A 59 2.154 4.158 -12.501 1.00 0.00 C ATOM 889 CD GLN A 59 2.389 5.575 -12.008 1.00 0.00 C ATOM 890 OE1 GLN A 59 1.504 6.430 -12.090 1.00 0.00 O ATOM 891 NE2 GLN A 59 3.571 5.832 -11.490 1.00 0.00 N ATOM 0 H GLN A 59 1.365 2.029 -10.649 1.00 0.00 H new ATOM 0 HA GLN A 59 0.552 4.706 -10.461 1.00 0.00 H new ATOM 0 HB2 GLN A 59 0.581 2.731 -12.750 1.00 0.00 H new ATOM 0 HB3 GLN A 59 0.077 4.398 -12.950 1.00 0.00 H new ATOM 0 HG2 GLN A 59 2.790 3.470 -11.944 1.00 0.00 H new ATOM 0 HG3 GLN A 59 2.446 4.085 -13.549 1.00 0.00 H new ATOM 0 HE21 GLN A 59 4.277 5.097 -11.440 1.00 0.00 H new ATOM 0 HE22 GLN A 59 3.782 6.766 -11.138 1.00 0.00 H new ATOM 900 N GLN A 60 -1.886 2.574 -10.781 1.00 0.00 N ATOM 901 CA GLN A 60 -3.343 2.459 -10.770 1.00 0.00 C ATOM 902 C GLN A 60 -3.939 3.205 -9.570 1.00 0.00 C ATOM 903 O GLN A 60 -4.900 3.970 -9.723 1.00 0.00 O ATOM 904 CB GLN A 60 -3.748 0.970 -10.745 1.00 0.00 C ATOM 905 CG GLN A 60 -5.247 0.695 -10.900 1.00 0.00 C ATOM 906 CD GLN A 60 -6.041 0.926 -9.625 1.00 0.00 C ATOM 907 OE1 GLN A 60 -5.529 0.768 -8.523 1.00 0.00 O ATOM 908 NE2 GLN A 60 -7.294 1.292 -9.770 1.00 0.00 N ATOM 0 H GLN A 60 -1.389 1.684 -10.745 1.00 0.00 H new ATOM 0 HA GLN A 60 -3.739 2.917 -11.676 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -3.216 0.453 -11.544 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -3.411 0.535 -9.804 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -5.646 1.334 -11.688 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -5.387 -0.336 -11.224 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -7.685 1.413 -10.704 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -7.876 1.455 -8.948 1.00 0.00 H new ATOM 917 N VAL A 61 -3.347 3.021 -8.394 1.00 0.00 N ATOM 918 CA VAL A 61 -3.840 3.694 -7.196 1.00 0.00 C ATOM 919 C VAL A 61 -3.450 5.174 -7.192 1.00 0.00 C ATOM 920 O VAL A 61 -4.207 6.026 -6.716 1.00 0.00 O ATOM 921 CB VAL A 61 -3.367 3.005 -5.883 1.00 0.00 C ATOM 922 CG1 VAL A 61 -3.906 1.586 -5.799 1.00 0.00 C ATOM 923 CG2 VAL A 61 -1.849 3.004 -5.768 1.00 0.00 C ATOM 0 H VAL A 61 -2.536 2.420 -8.245 1.00 0.00 H new ATOM 0 HA VAL A 61 -4.927 3.617 -7.227 1.00 0.00 H new ATOM 0 HB VAL A 61 -3.764 3.581 -5.047 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -3.564 1.121 -4.874 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -4.996 1.609 -5.812 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -3.545 1.009 -6.650 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -1.555 2.515 -4.839 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -1.420 2.465 -6.613 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -1.483 4.031 -5.769 1.00 0.00 H new ATOM 933 N CYS A 62 -2.280 5.477 -7.753 1.00 0.00 N ATOM 934 CA CYS A 62 -1.806 6.852 -7.850 1.00 0.00 C ATOM 935 C CYS A 62 -2.739 7.668 -8.734 1.00 0.00 C ATOM 936 O CYS A 62 -3.042 8.818 -8.442 1.00 0.00 O ATOM 937 CB CYS A 62 -0.384 6.891 -8.408 1.00 0.00 C ATOM 938 SG CYS A 62 0.864 6.224 -7.287 1.00 0.00 S ATOM 0 H CYS A 62 -1.643 4.785 -8.148 1.00 0.00 H new ATOM 0 HA CYS A 62 -1.798 7.286 -6.850 1.00 0.00 H new ATOM 0 HB2 CYS A 62 -0.356 6.330 -9.342 1.00 0.00 H new ATOM 0 HB3 CYS A 62 -0.127 7.923 -8.648 1.00 0.00 H new ATOM 0 HG CYS A 62 0.840 4.925 -7.335 1.00 0.00 H new ATOM 944 N HIS A 63 -3.199 7.050 -9.814 1.00 0.00 N ATOM 945 CA HIS A 63 -4.112 7.698 -10.748 1.00 0.00 C ATOM 946 C HIS A 63 -5.430 8.036 -10.070 1.00 0.00 C ATOM 947 O HIS A 63 -6.017 9.078 -10.334 1.00 0.00 O ATOM 948 CB HIS A 63 -4.381 6.802 -11.965 1.00 0.00 C ATOM 949 CG HIS A 63 -3.205 6.616 -12.877 1.00 0.00 C ATOM 950 ND1 HIS A 63 -3.124 5.587 -13.793 1.00 0.00 N ATOM 951 CD2 HIS A 63 -2.060 7.328 -13.018 1.00 0.00 C ATOM 952 CE1 HIS A 63 -1.983 5.674 -14.452 1.00 0.00 C ATOM 953 NE2 HIS A 63 -1.324 6.718 -14.001 1.00 0.00 N ATOM 0 H HIS A 63 -2.953 6.093 -10.067 1.00 0.00 H new ATOM 0 HA HIS A 63 -3.636 8.619 -11.084 1.00 0.00 H new ATOM 0 HB2 HIS A 63 -4.710 5.824 -11.614 1.00 0.00 H new ATOM 0 HB3 HIS A 63 -5.204 7.228 -12.538 1.00 0.00 H new ATOM 0 HD2 HIS A 63 -1.780 8.210 -12.461 1.00 0.00 H new ATOM 0 HE1 HIS A 63 -1.649 5.002 -15.229 1.00 0.00 H new ATOM 0 HE2 HIS A 63 -0.409 7.026 -14.330 1.00 0.00 H new ATOM 961 N GLN A 64 -5.893 7.144 -9.198 1.00 0.00 N ATOM 962 CA GLN A 64 -7.176 7.328 -8.522 1.00 0.00 C ATOM 963 C GLN A 64 -7.171 8.576 -7.642 1.00 0.00 C ATOM 964 O GLN A 64 -8.127 9.351 -7.642 1.00 0.00 O ATOM 965 CB GLN A 64 -7.506 6.095 -7.672 1.00 0.00 C ATOM 966 CG GLN A 64 -7.743 4.840 -8.490 1.00 0.00 C ATOM 967 CD GLN A 64 -8.846 5.004 -9.519 1.00 0.00 C ATOM 968 OE1 GLN A 64 -8.769 4.453 -10.611 1.00 0.00 O ATOM 969 NE2 GLN A 64 -9.882 5.744 -9.175 1.00 0.00 N ATOM 0 H GLN A 64 -5.401 6.288 -8.943 1.00 0.00 H new ATOM 0 HA GLN A 64 -7.940 7.457 -9.289 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -6.688 5.915 -6.975 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -8.394 6.303 -7.075 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -6.819 4.563 -8.997 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -7.997 4.019 -7.820 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -9.910 6.187 -8.257 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -10.655 5.873 -9.827 1.00 0.00 H new ATOM 978 N ILE A 65 -6.094 8.775 -6.906 1.00 0.00 N ATOM 979 CA ILE A 65 -5.988 9.932 -6.035 1.00 0.00 C ATOM 980 C ILE A 65 -5.519 11.181 -6.802 1.00 0.00 C ATOM 981 O ILE A 65 -6.033 12.286 -6.588 1.00 0.00 O ATOM 982 CB ILE A 65 -5.067 9.646 -4.813 1.00 0.00 C ATOM 983 CG1 ILE A 65 -5.064 10.831 -3.845 1.00 0.00 C ATOM 984 CG2 ILE A 65 -3.648 9.298 -5.253 1.00 0.00 C ATOM 985 CD1 ILE A 65 -4.383 10.536 -2.527 1.00 0.00 C ATOM 0 H ILE A 65 -5.284 8.155 -6.893 1.00 0.00 H new ATOM 0 HA ILE A 65 -6.989 10.137 -5.654 1.00 0.00 H new ATOM 0 HB ILE A 65 -5.471 8.779 -4.290 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -4.566 11.676 -4.320 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -6.093 11.135 -3.653 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -3.032 9.104 -4.375 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -3.670 8.409 -5.884 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -3.227 10.131 -5.815 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -4.420 11.421 -1.892 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -4.894 9.712 -2.030 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -3.344 10.262 -2.708 1.00 0.00 H new ATOM 997 N GLY A 66 -4.567 10.987 -7.711 1.00 0.00 N ATOM 998 CA GLY A 66 -4.018 12.086 -8.483 1.00 0.00 C ATOM 999 C GLY A 66 -5.039 12.768 -9.370 1.00 0.00 C ATOM 1000 O GLY A 66 -5.059 13.997 -9.468 1.00 0.00 O ATOM 0 H GLY A 66 -4.163 10.076 -7.927 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -3.591 12.822 -7.801 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -3.202 11.713 -9.102 1.00 0.00 H new ATOM 1004 N ASP A 67 -5.897 11.973 -9.997 1.00 0.00 N ATOM 1005 CA ASP A 67 -6.916 12.491 -10.918 1.00 0.00 C ATOM 1006 C ASP A 67 -7.874 13.430 -10.208 1.00 0.00 C ATOM 1007 O ASP A 67 -8.332 14.416 -10.779 1.00 0.00 O ATOM 1008 CB ASP A 67 -7.694 11.353 -11.564 1.00 0.00 C ATOM 1009 CG ASP A 67 -8.622 11.838 -12.657 1.00 0.00 C ATOM 1010 OD1 ASP A 67 -8.120 12.264 -13.716 1.00 0.00 O ATOM 1011 OD2 ASP A 67 -9.856 11.788 -12.465 1.00 0.00 O ATOM 0 H ASP A 67 -5.912 10.959 -9.887 1.00 0.00 H new ATOM 0 HA ASP A 67 -6.396 13.050 -11.696 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -6.994 10.628 -11.980 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -8.275 10.834 -10.801 1.00 0.00 H new ATOM 1016 N MET A 68 -8.162 13.122 -8.955 1.00 0.00 N ATOM 1017 CA MET A 68 -9.084 13.919 -8.149 1.00 0.00 C ATOM 1018 C MET A 68 -8.503 15.298 -7.821 1.00 0.00 C ATOM 1019 O MET A 68 -9.197 16.157 -7.279 1.00 0.00 O ATOM 1020 CB MET A 68 -9.461 13.176 -6.863 1.00 0.00 C ATOM 1021 CG MET A 68 -10.286 11.910 -7.082 1.00 0.00 C ATOM 1022 SD MET A 68 -11.874 12.227 -7.894 1.00 0.00 S ATOM 1023 CE MET A 68 -11.458 11.915 -9.610 1.00 0.00 C ATOM 0 H MET A 68 -7.768 12.318 -8.466 1.00 0.00 H new ATOM 0 HA MET A 68 -9.986 14.073 -8.741 1.00 0.00 H new ATOM 0 HB2 MET A 68 -8.548 12.912 -6.330 1.00 0.00 H new ATOM 0 HB3 MET A 68 -10.022 13.853 -6.218 1.00 0.00 H new ATOM 0 HG2 MET A 68 -9.710 11.208 -7.685 1.00 0.00 H new ATOM 0 HG3 MET A 68 -10.466 11.430 -6.120 1.00 0.00 H new ATOM 0 HE1 MET A 68 -11.829 12.732 -10.229 1.00 0.00 H new ATOM 0 HE2 MET A 68 -10.375 11.843 -9.715 1.00 0.00 H new ATOM 0 HE3 MET A 68 -11.917 10.980 -9.931 1.00 0.00 H new ATOM 1033 N GLY A 69 -7.232 15.506 -8.152 1.00 0.00 N ATOM 1034 CA GLY A 69 -6.609 16.790 -7.899 1.00 0.00 C ATOM 1035 C GLY A 69 -5.733 16.780 -6.674 1.00 0.00 C ATOM 1036 O GLY A 69 -5.303 17.828 -6.203 1.00 0.00 O ATOM 0 H GLY A 69 -6.626 14.811 -8.589 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -6.012 17.077 -8.765 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -7.383 17.548 -7.781 1.00 0.00 H new ATOM 1040 N PHE A 70 -5.472 15.602 -6.152 1.00 0.00 N ATOM 1041 CA PHE A 70 -4.641 15.465 -4.973 1.00 0.00 C ATOM 1042 C PHE A 70 -3.294 14.871 -5.357 1.00 0.00 C ATOM 1043 O PHE A 70 -3.208 14.072 -6.288 1.00 0.00 O ATOM 1044 CB PHE A 70 -5.340 14.589 -3.936 1.00 0.00 C ATOM 1045 CG PHE A 70 -6.661 15.146 -3.474 1.00 0.00 C ATOM 1046 CD1 PHE A 70 -6.716 16.115 -2.489 1.00 0.00 C ATOM 1047 CD2 PHE A 70 -7.847 14.700 -4.034 1.00 0.00 C ATOM 1048 CE1 PHE A 70 -7.927 16.629 -2.069 1.00 0.00 C ATOM 1049 CE2 PHE A 70 -9.061 15.210 -3.619 1.00 0.00 C ATOM 1050 CZ PHE A 70 -9.101 16.176 -2.635 1.00 0.00 C ATOM 0 H PHE A 70 -5.824 14.721 -6.526 1.00 0.00 H new ATOM 0 HA PHE A 70 -4.476 16.449 -4.535 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -5.500 13.597 -4.358 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -4.684 14.466 -3.074 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -5.801 16.474 -2.043 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -7.822 13.944 -4.805 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -7.955 17.385 -1.298 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -9.978 14.853 -4.064 1.00 0.00 H new ATOM 0 HZ PHE A 70 -10.049 16.577 -2.308 1.00 0.00 H new ATOM 1060 N GLU A 71 -2.248 15.279 -4.673 1.00 0.00 N ATOM 1061 CA GLU A 71 -0.916 14.797 -4.980 1.00 0.00 C ATOM 1062 C GLU A 71 -0.476 13.740 -3.976 1.00 0.00 C ATOM 1063 O GLU A 71 -0.583 13.934 -2.768 1.00 0.00 O ATOM 1064 CB GLU A 71 0.084 15.954 -4.996 1.00 0.00 C ATOM 1065 CG GLU A 71 1.480 15.551 -5.447 1.00 0.00 C ATOM 1066 CD GLU A 71 1.502 15.016 -6.864 1.00 0.00 C ATOM 1067 OE1 GLU A 71 1.193 13.826 -7.061 1.00 0.00 O ATOM 1068 OE2 GLU A 71 1.826 15.789 -7.791 1.00 0.00 O ATOM 0 H GLU A 71 -2.292 15.943 -3.900 1.00 0.00 H new ATOM 0 HA GLU A 71 -0.943 14.343 -5.970 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -0.290 16.736 -5.657 1.00 0.00 H new ATOM 0 HB3 GLU A 71 0.145 16.384 -3.996 1.00 0.00 H new ATOM 0 HG2 GLU A 71 2.143 16.413 -5.378 1.00 0.00 H new ATOM 0 HG3 GLU A 71 1.872 14.792 -4.770 1.00 0.00 H new ATOM 1075 N ALA A 72 0.022 12.635 -4.479 1.00 0.00 N ATOM 1076 CA ALA A 72 0.485 11.551 -3.638 1.00 0.00 C ATOM 1077 C ALA A 72 1.709 10.914 -4.256 1.00 0.00 C ATOM 1078 O ALA A 72 1.804 10.820 -5.475 1.00 0.00 O ATOM 1079 CB ALA A 72 -0.617 10.520 -3.460 1.00 0.00 C ATOM 0 H ALA A 72 0.118 12.460 -5.479 1.00 0.00 H new ATOM 0 HA ALA A 72 0.750 11.946 -2.657 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -0.258 9.709 -2.826 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -1.483 10.990 -2.993 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -0.902 10.120 -4.433 1.00 0.00 H new ATOM 1085 N SER A 73 2.648 10.480 -3.435 1.00 0.00 N ATOM 1086 CA SER A 73 3.850 9.870 -3.965 1.00 0.00 C ATOM 1087 C SER A 73 4.214 8.586 -3.238 1.00 0.00 C ATOM 1088 O SER A 73 3.882 8.399 -2.063 1.00 0.00 O ATOM 1089 CB SER A 73 5.005 10.870 -3.981 1.00 0.00 C ATOM 1090 OG SER A 73 5.118 11.534 -2.742 1.00 0.00 O ATOM 0 H SER A 73 2.603 10.537 -2.418 1.00 0.00 H new ATOM 0 HA SER A 73 3.645 9.584 -4.997 1.00 0.00 H new ATOM 0 HB2 SER A 73 5.937 10.351 -4.205 1.00 0.00 H new ATOM 0 HB3 SER A 73 4.848 11.600 -4.775 1.00 0.00 H new ATOM 0 HG SER A 73 4.705 12.420 -2.807 1.00 0.00 H new ATOM 1096 N ILE A 74 4.911 7.723 -3.950 1.00 0.00 N ATOM 1097 CA ILE A 74 5.256 6.398 -3.480 1.00 0.00 C ATOM 1098 C ILE A 74 6.640 6.354 -2.848 1.00 0.00 C ATOM 1099 O ILE A 74 7.615 6.846 -3.415 1.00 0.00 O ATOM 1100 CB ILE A 74 5.203 5.377 -4.647 1.00 0.00 C ATOM 1101 CG1 ILE A 74 3.802 5.340 -5.277 1.00 0.00 C ATOM 1102 CG2 ILE A 74 5.629 3.993 -4.188 1.00 0.00 C ATOM 1103 CD1 ILE A 74 2.698 4.947 -4.311 1.00 0.00 C ATOM 0 H ILE A 74 5.259 7.927 -4.887 1.00 0.00 H new ATOM 0 HA ILE A 74 4.522 6.135 -2.718 1.00 0.00 H new ATOM 0 HB ILE A 74 5.910 5.705 -5.409 1.00 0.00 H new ATOM 0 HG12 ILE A 74 3.575 6.323 -5.691 1.00 0.00 H new ATOM 0 HG13 ILE A 74 3.808 4.637 -6.110 1.00 0.00 H new ATOM 0 HG21 ILE A 74 5.581 3.300 -5.028 1.00 0.00 H new ATOM 0 HG22 ILE A 74 6.650 4.034 -3.809 1.00 0.00 H new ATOM 0 HG23 ILE A 74 4.962 3.651 -3.397 1.00 0.00 H new ATOM 0 HD11 ILE A 74 1.741 4.945 -4.833 1.00 0.00 H new ATOM 0 HD12 ILE A 74 2.898 3.951 -3.916 1.00 0.00 H new ATOM 0 HD13 ILE A 74 2.661 5.663 -3.490 1.00 0.00 H new ATOM 1115 N ALA A 75 6.705 5.775 -1.669 1.00 0.00 N ATOM 1116 CA ALA A 75 7.946 5.582 -0.959 1.00 0.00 C ATOM 1117 C ALA A 75 7.998 4.158 -0.423 1.00 0.00 C ATOM 1118 O ALA A 75 6.958 3.546 -0.167 1.00 0.00 O ATOM 1119 CB ALA A 75 8.077 6.587 0.175 1.00 0.00 C ATOM 0 H ALA A 75 5.887 5.422 -1.173 1.00 0.00 H new ATOM 0 HA ALA A 75 8.781 5.741 -1.642 1.00 0.00 H new ATOM 0 HB1 ALA A 75 9.019 6.425 0.698 1.00 0.00 H new ATOM 0 HB2 ALA A 75 8.057 7.598 -0.231 1.00 0.00 H new ATOM 0 HB3 ALA A 75 7.249 6.459 0.872 1.00 0.00 H new ATOM 1125 N GLU A 76 9.184 3.623 -0.277 1.00 0.00 N ATOM 1126 CA GLU A 76 9.341 2.264 0.205 1.00 0.00 C ATOM 1127 C GLU A 76 9.478 2.246 1.721 1.00 0.00 C ATOM 1128 O GLU A 76 10.597 2.033 2.224 1.00 0.00 O ATOM 1129 CB GLU A 76 10.550 1.611 -0.462 1.00 0.00 C ATOM 1130 CG GLU A 76 10.444 1.561 -1.978 1.00 0.00 C ATOM 1131 CD GLU A 76 11.683 1.005 -2.632 1.00 0.00 C ATOM 1132 OE1 GLU A 76 12.644 1.774 -2.836 1.00 0.00 O ATOM 1133 OE2 GLU A 76 11.707 -0.196 -2.950 1.00 0.00 O ATOM 1134 OXT GLU A 76 8.464 2.487 2.408 1.00 0.00 O ATOM 0 H GLU A 76 10.059 4.104 -0.484 1.00 0.00 H new ATOM 0 HA GLU A 76 8.451 1.691 -0.056 1.00 0.00 H new ATOM 0 HB2 GLU A 76 11.450 2.160 -0.185 1.00 0.00 H new ATOM 0 HB3 GLU A 76 10.665 0.597 -0.079 1.00 0.00 H new ATOM 0 HG2 GLU A 76 9.586 0.950 -2.258 1.00 0.00 H new ATOM 0 HG3 GLU A 76 10.258 2.565 -2.358 1.00 0.00 H new TER 1141 GLU A 76