USER MOD reduce.3.24.130724 H: found=0, std=0, add=1036, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 1031 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 100 GLN : amide:sc= -2.15 K(o=-2.6,f=-4.1) USER MOD Set 1.2: A 113 TYR OH : rot 110:sc= -0.412 USER MOD Set 2.1: A 91 ASN : amide:sc= -2.63! C(o=-3.1!,f=-5.3!) USER MOD Set 2.2: A 106 GLN : amide:sc= -0.495 K(o=-3.1,f=-5.3) USER MOD Set 3.1: A 64 SER OG : rot 180:sc= 0 USER MOD Set 3.2: A 65 SER OG : rot 180:sc= 0 USER MOD Set 4.1: A 34 SER OG : rot -80:sc= -2.11! USER MOD Set 4.2: A 36 GLN : amide:sc= -5.6! C(o=-7.7!,f=-2.9!) USER MOD Set 5.1: A 21 GLN : amide:sc= -0.526 X(o=-0.53,f=-0.72) USER MOD Set 5.2: A 61 TYR OH : rot 30:sc= 0 USER MOD Set 6.1: A 11 ASN : amide:sc= -2.62! K(o=-5.5!,f=-3.2) USER MOD Set 6.2: A 12 HIS : no HD1:sc= -2.86! C(o=-5.5!,f=-9.3!) USER MOD Single : A 3 MET CE :methyl -143:sc= -0.997 (180deg=-5.41!) USER MOD Single : A 4 HIS : no HD1:sc= -3.64! K(o=-3.6!,f=-1) USER MOD Single : A 6 HIS : no HD1:sc= -4.05! C(o=-4.1!,f=-2!) USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0.899 (180deg=0.899) USER MOD Single : A 25 GLN : amide:sc= -0.406 K(o=-0.41,f=-1.7!) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 29 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 38 MET CE :methyl 145:sc= -0.295 (180deg=-2.25!) USER MOD Single : A 39 GLN : amide:sc= 0 X(o=0,f=-0.064) USER MOD Single : A 40 THR OG1 : rot -179:sc= -0.812 USER MOD Single : A 46 GLN : amide:sc= 0 X(o=0,f=-0.49) USER MOD Single : A 47 GLN : amide:sc= -0.159 K(o=-0.16,f=-2.3!) USER MOD Single : A 51 THR OG1 : rot 170:sc= -0.508 USER MOD Single : A 53 LYS NZ :NH3+ -159:sc= 1.32 (180deg=0.85) USER MOD Single : A 56 GLN : amide:sc= 0 K(o=0,f=-0.86) USER MOD Single : A 60 GLN : amide:sc= -0.624 K(o=-0.62,f=0) USER MOD Single : A 63 CYS SG : rot -160:sc= -4.1! USER MOD Single : A 69 SER OG : rot -170:sc= -0.152 USER MOD Single : A 71 HIS : no HD1:sc= -10.1! C(o=-10!,f=-18!) USER MOD Single : A 72 HIS : no HD1:sc= -3.88! C(o=-3.9!,f=-3.6!) USER MOD Single : A 73 GLN : amide:sc= -0.708 K(o=-0.71,f=-3.2!) USER MOD Single : A 74 GLN : amide:sc= -0.589 X(o=-0.59,f=-0.23) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 80 SER OG : rot 180:sc= -0.0675 USER MOD Single : A 84 THR OG1 : rot -55:sc= -0.793 USER MOD Single : A 88 THR OG1 : rot 180:sc= 0.0323 USER MOD Single : A 89 SER OG : rot -45:sc= 0.915 USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 102 ASN : amide:sc= -1.11 X(o=-1.1,f=-0.69) USER MOD Single : A 103 ASN : amide:sc= -5.29! C(o=-5.3!,f=-5.6!) USER MOD Single : A 105 GLN : amide:sc= -0.132 X(o=-0.13,f=0) USER MOD Single : A 107 GLN : amide:sc= -0.39 X(o=-0.39,f=0) USER MOD Single : A 114 GLN : amide:sc= -9.32! C(o=-9.3!,f=-6.1!) USER MOD Single : A 115 GLN : amide:sc= -2.36! K(o=-2.4!,f=-1.2) USER MOD Single : A 127 SER OG : rot 74:sc= 0.992 USER MOD Single : A 129 LYS NZ :NH3+ 147:sc= -2.65 (180deg=-4.34) USER MOD Single : A 132 SER OG : rot 180:sc= -0.316 USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 1 7.778 10.495 -0.971 1.00 0.00 N ATOM 2 CA PRO A 1 8.258 9.634 0.155 1.00 0.00 C ATOM 3 C PRO A 1 8.097 10.384 1.494 1.00 0.00 C ATOM 4 O PRO A 1 7.534 11.462 1.554 1.00 0.00 O ATOM 5 CB PRO A 1 9.733 9.285 -0.117 1.00 0.00 C ATOM 6 CG PRO A 1 9.998 9.638 -1.584 1.00 0.00 C ATOM 7 CD PRO A 1 8.806 10.487 -2.059 1.00 0.00 C ATOM 0 H2 PRO A 1 7.618 11.448 -0.643 1.00 0.00 H new ATOM 0 H3 PRO A 1 6.887 10.148 -1.325 1.00 0.00 H new ATOM 0 HA PRO A 1 7.673 8.717 0.222 1.00 0.00 H new ATOM 0 HB2 PRO A 1 10.393 9.848 0.543 1.00 0.00 H new ATOM 0 HB3 PRO A 1 9.922 8.228 0.068 1.00 0.00 H new ATOM 0 HG2 PRO A 1 10.932 10.191 -1.686 1.00 0.00 H new ATOM 0 HG3 PRO A 1 10.095 8.735 -2.187 1.00 0.00 H new ATOM 0 HD2 PRO A 1 9.129 11.503 -2.285 1.00 0.00 H new ATOM 0 HD3 PRO A 1 8.386 10.074 -2.976 1.00 0.00 H new ATOM 17 N VAL A 2 8.618 9.827 2.554 1.00 0.00 N ATOM 18 CA VAL A 2 8.530 10.484 3.892 1.00 0.00 C ATOM 19 C VAL A 2 9.579 9.844 4.794 1.00 0.00 C ATOM 20 O VAL A 2 9.712 8.639 4.828 1.00 0.00 O ATOM 21 CB VAL A 2 7.137 10.264 4.513 1.00 0.00 C ATOM 22 CG1 VAL A 2 6.081 11.100 3.778 1.00 0.00 C ATOM 23 CG2 VAL A 2 6.761 8.783 4.415 1.00 0.00 C ATOM 0 H VAL A 2 9.108 8.932 2.550 1.00 0.00 H new ATOM 0 HA VAL A 2 8.698 11.556 3.787 1.00 0.00 H new ATOM 0 HB VAL A 2 7.170 10.573 5.558 1.00 0.00 H new ATOM 0 HG11 VAL A 2 5.104 10.931 4.231 1.00 0.00 H new ATOM 0 HG12 VAL A 2 6.338 12.157 3.852 1.00 0.00 H new ATOM 0 HG13 VAL A 2 6.050 10.806 2.729 1.00 0.00 H new ATOM 0 HG21 VAL A 2 5.776 8.628 4.854 1.00 0.00 H new ATOM 0 HG22 VAL A 2 6.743 8.481 3.368 1.00 0.00 H new ATOM 0 HG23 VAL A 2 7.496 8.185 4.953 1.00 0.00 H new ATOM 33 N MET A 3 10.337 10.622 5.524 1.00 0.00 N ATOM 34 CA MET A 3 11.379 10.011 6.408 1.00 0.00 C ATOM 35 C MET A 3 11.505 10.820 7.699 1.00 0.00 C ATOM 36 O MET A 3 10.727 11.714 7.959 1.00 0.00 O ATOM 37 CB MET A 3 12.721 9.956 5.678 1.00 0.00 C ATOM 38 CG MET A 3 12.511 9.408 4.263 1.00 0.00 C ATOM 39 SD MET A 3 14.118 9.172 3.464 1.00 0.00 S ATOM 40 CE MET A 3 14.624 10.910 3.449 1.00 0.00 C ATOM 0 H MET A 3 10.283 11.640 5.548 1.00 0.00 H new ATOM 0 HA MET A 3 11.081 8.993 6.660 1.00 0.00 H new ATOM 0 HB2 MET A 3 13.163 10.951 5.632 1.00 0.00 H new ATOM 0 HB3 MET A 3 13.419 9.322 6.225 1.00 0.00 H new ATOM 0 HG2 MET A 3 11.971 8.462 4.304 1.00 0.00 H new ATOM 0 HG3 MET A 3 11.901 10.099 3.681 1.00 0.00 H new ATOM 0 HE1 MET A 3 15.166 11.123 2.528 1.00 0.00 H new ATOM 0 HE2 MET A 3 13.741 11.547 3.506 1.00 0.00 H new ATOM 0 HE3 MET A 3 15.270 11.108 4.304 1.00 0.00 H new ATOM 50 N HIS A 4 12.476 10.502 8.514 1.00 0.00 N ATOM 51 CA HIS A 4 12.655 11.236 9.803 1.00 0.00 C ATOM 52 C HIS A 4 14.144 11.242 10.197 1.00 0.00 C ATOM 53 O HIS A 4 14.565 10.400 10.965 1.00 0.00 O ATOM 54 CB HIS A 4 11.859 10.516 10.895 1.00 0.00 C ATOM 55 CG HIS A 4 12.098 9.033 10.801 1.00 0.00 C ATOM 56 ND1 HIS A 4 11.302 8.113 11.467 1.00 0.00 N ATOM 57 CD2 HIS A 4 13.038 8.294 10.125 1.00 0.00 C ATOM 58 CE1 HIS A 4 11.772 6.886 11.178 1.00 0.00 C ATOM 59 NE2 HIS A 4 12.829 6.939 10.364 1.00 0.00 N ATOM 0 H HIS A 4 13.156 9.762 8.342 1.00 0.00 H new ATOM 0 HA HIS A 4 12.305 12.262 9.689 1.00 0.00 H new ATOM 0 HB2 HIS A 4 12.158 10.881 11.878 1.00 0.00 H new ATOM 0 HB3 HIS A 4 10.796 10.731 10.785 1.00 0.00 H new ATOM 0 HD2 HIS A 4 13.820 8.702 9.503 1.00 0.00 H new ATOM 0 HE1 HIS A 4 11.346 5.969 11.558 1.00 0.00 H new ATOM 0 HE2 HIS A 4 13.368 6.155 9.996 1.00 0.00 H new ATOM 67 N PRO A 5 14.910 12.180 9.676 1.00 0.00 N ATOM 68 CA PRO A 5 16.348 12.262 10.001 1.00 0.00 C ATOM 69 C PRO A 5 16.528 12.631 11.484 1.00 0.00 C ATOM 70 O PRO A 5 15.905 13.546 11.985 1.00 0.00 O ATOM 71 CB PRO A 5 16.901 13.372 9.072 1.00 0.00 C ATOM 72 CG PRO A 5 15.705 13.928 8.242 1.00 0.00 C ATOM 73 CD PRO A 5 14.428 13.208 8.728 1.00 0.00 C ATOM 0 HA PRO A 5 16.872 11.318 9.850 1.00 0.00 H new ATOM 0 HB2 PRO A 5 17.363 14.167 9.657 1.00 0.00 H new ATOM 0 HB3 PRO A 5 17.672 12.972 8.413 1.00 0.00 H new ATOM 0 HG2 PRO A 5 15.613 15.006 8.377 1.00 0.00 H new ATOM 0 HG3 PRO A 5 15.863 13.753 7.178 1.00 0.00 H new ATOM 0 HD2 PRO A 5 13.743 13.903 9.213 1.00 0.00 H new ATOM 0 HD3 PRO A 5 13.888 12.756 7.896 1.00 0.00 H new ATOM 81 N HIS A 6 17.376 11.925 12.187 1.00 0.00 N ATOM 82 CA HIS A 6 17.594 12.237 13.628 1.00 0.00 C ATOM 83 C HIS A 6 16.253 12.233 14.365 1.00 0.00 C ATOM 84 O HIS A 6 15.224 11.919 13.800 1.00 0.00 O ATOM 85 CB HIS A 6 18.241 13.618 13.757 1.00 0.00 C ATOM 86 CG HIS A 6 18.689 13.833 15.176 1.00 0.00 C ATOM 87 ND1 HIS A 6 19.799 13.193 15.705 1.00 0.00 N ATOM 88 CD2 HIS A 6 18.189 14.614 16.187 1.00 0.00 C ATOM 89 CE1 HIS A 6 19.929 13.597 16.982 1.00 0.00 C ATOM 90 NE2 HIS A 6 18.973 14.463 17.327 1.00 0.00 N ATOM 0 H HIS A 6 17.926 11.146 11.824 1.00 0.00 H new ATOM 0 HA HIS A 6 18.249 11.483 14.066 1.00 0.00 H new ATOM 0 HB2 HIS A 6 19.092 13.697 13.080 1.00 0.00 H new ATOM 0 HB3 HIS A 6 17.531 14.392 13.468 1.00 0.00 H new ATOM 0 HD2 HIS A 6 17.319 15.249 16.110 1.00 0.00 H new ATOM 0 HE1 HIS A 6 20.711 13.262 17.647 1.00 0.00 H new ATOM 0 HE2 HIS A 6 18.845 14.916 18.232 1.00 0.00 H new ATOM 98 N GLY A 7 16.255 12.583 15.624 1.00 0.00 N ATOM 99 CA GLY A 7 14.980 12.602 16.398 1.00 0.00 C ATOM 100 C GLY A 7 14.138 13.802 15.961 1.00 0.00 C ATOM 101 O GLY A 7 13.428 14.396 16.747 1.00 0.00 O ATOM 0 H GLY A 7 17.085 12.857 16.150 1.00 0.00 H new ATOM 0 HA2 GLY A 7 14.428 11.677 16.233 1.00 0.00 H new ATOM 0 HA3 GLY A 7 15.191 12.661 17.466 1.00 0.00 H new ATOM 105 N ALA A 8 14.213 14.161 14.708 1.00 0.00 N ATOM 106 CA ALA A 8 13.422 15.320 14.203 1.00 0.00 C ATOM 107 C ALA A 8 12.010 14.823 13.830 1.00 0.00 C ATOM 108 O ALA A 8 11.711 13.663 14.030 1.00 0.00 O ATOM 109 CB ALA A 8 14.154 15.898 12.975 1.00 0.00 C ATOM 0 H ALA A 8 14.792 13.698 14.008 1.00 0.00 H new ATOM 0 HA ALA A 8 13.325 16.101 14.957 1.00 0.00 H new ATOM 0 HB1 ALA A 8 13.595 16.749 12.585 1.00 0.00 H new ATOM 0 HB2 ALA A 8 15.153 16.223 13.266 1.00 0.00 H new ATOM 0 HB3 ALA A 8 14.232 15.132 12.204 1.00 0.00 H new ATOM 115 N PRO A 9 11.178 15.694 13.292 1.00 0.00 N ATOM 116 CA PRO A 9 9.819 15.313 12.895 1.00 0.00 C ATOM 117 C PRO A 9 9.934 14.568 11.570 1.00 0.00 C ATOM 118 O PRO A 9 11.000 14.542 10.988 1.00 0.00 O ATOM 119 CB PRO A 9 9.075 16.651 12.700 1.00 0.00 C ATOM 120 CG PRO A 9 10.124 17.785 12.874 1.00 0.00 C ATOM 121 CD PRO A 9 11.498 17.103 13.027 1.00 0.00 C ATOM 0 HA PRO A 9 9.302 14.679 13.615 1.00 0.00 H new ATOM 0 HB2 PRO A 9 8.618 16.697 11.712 1.00 0.00 H new ATOM 0 HB3 PRO A 9 8.271 16.755 13.428 1.00 0.00 H new ATOM 0 HG2 PRO A 9 10.118 18.452 12.012 1.00 0.00 H new ATOM 0 HG3 PRO A 9 9.895 18.393 13.749 1.00 0.00 H new ATOM 0 HD2 PRO A 9 12.098 17.211 12.124 1.00 0.00 H new ATOM 0 HD3 PRO A 9 12.070 17.541 13.845 1.00 0.00 H new ATOM 129 N PRO A 10 8.861 13.999 11.101 1.00 0.00 N ATOM 130 CA PRO A 10 8.923 13.299 9.826 1.00 0.00 C ATOM 131 C PRO A 10 9.138 14.319 8.698 1.00 0.00 C ATOM 132 O PRO A 10 8.349 15.226 8.521 1.00 0.00 O ATOM 133 CB PRO A 10 7.559 12.585 9.698 1.00 0.00 C ATOM 134 CG PRO A 10 6.658 13.104 10.859 1.00 0.00 C ATOM 135 CD PRO A 10 7.546 13.977 11.776 1.00 0.00 C ATOM 0 HA PRO A 10 9.744 12.585 9.765 1.00 0.00 H new ATOM 0 HB2 PRO A 10 7.102 12.798 8.732 1.00 0.00 H new ATOM 0 HB3 PRO A 10 7.683 11.504 9.761 1.00 0.00 H new ATOM 0 HG2 PRO A 10 5.823 13.685 10.467 1.00 0.00 H new ATOM 0 HG3 PRO A 10 6.232 12.270 11.417 1.00 0.00 H new ATOM 0 HD2 PRO A 10 7.138 14.982 11.884 1.00 0.00 H new ATOM 0 HD3 PRO A 10 7.620 13.553 12.778 1.00 0.00 H new ATOM 143 N ASN A 11 10.198 14.194 7.941 1.00 0.00 N ATOM 144 CA ASN A 11 10.448 15.176 6.843 1.00 0.00 C ATOM 145 C ASN A 11 9.803 14.695 5.546 1.00 0.00 C ATOM 146 O ASN A 11 10.318 13.828 4.867 1.00 0.00 O ATOM 147 CB ASN A 11 11.953 15.322 6.626 1.00 0.00 C ATOM 148 CG ASN A 11 12.211 16.375 5.547 1.00 0.00 C ATOM 149 OD1 ASN A 11 13.318 16.510 5.065 1.00 0.00 O ATOM 150 ND2 ASN A 11 11.227 17.132 5.144 1.00 0.00 N ATOM 0 H ASN A 11 10.898 13.458 8.035 1.00 0.00 H new ATOM 0 HA ASN A 11 10.015 16.136 7.124 1.00 0.00 H new ATOM 0 HB2 ASN A 11 12.439 15.613 7.557 1.00 0.00 H new ATOM 0 HB3 ASN A 11 12.383 14.366 6.327 1.00 0.00 H new ATOM 0 HD21 ASN A 11 11.387 17.837 4.424 1.00 0.00 H new ATOM 0 HD22 ASN A 11 10.298 17.019 5.549 1.00 0.00 H new ATOM 157 N HIS A 12 8.684 15.259 5.189 1.00 0.00 N ATOM 158 CA HIS A 12 8.012 14.845 3.928 1.00 0.00 C ATOM 159 C HIS A 12 8.744 15.477 2.744 1.00 0.00 C ATOM 160 O HIS A 12 9.064 16.649 2.756 1.00 0.00 O ATOM 161 CB HIS A 12 6.557 15.316 3.944 1.00 0.00 C ATOM 162 CG HIS A 12 6.512 16.794 4.213 1.00 0.00 C ATOM 163 ND1 HIS A 12 7.639 17.514 4.577 1.00 0.00 N ATOM 164 CD2 HIS A 12 5.484 17.703 4.174 1.00 0.00 C ATOM 165 CE1 HIS A 12 7.266 18.796 4.741 1.00 0.00 C ATOM 166 NE2 HIS A 12 5.962 18.967 4.508 1.00 0.00 N ATOM 0 H HIS A 12 8.206 15.989 5.717 1.00 0.00 H new ATOM 0 HA HIS A 12 8.035 13.759 3.837 1.00 0.00 H new ATOM 0 HB2 HIS A 12 6.081 15.095 2.989 1.00 0.00 H new ATOM 0 HB3 HIS A 12 5.998 14.779 4.710 1.00 0.00 H new ATOM 0 HD2 HIS A 12 4.459 17.472 3.922 1.00 0.00 H new ATOM 0 HE1 HIS A 12 7.939 19.591 5.026 1.00 0.00 H new ATOM 0 HE2 HIS A 12 5.431 19.836 4.563 1.00 0.00 H new ATOM 174 N ARG A 13 9.022 14.710 1.723 1.00 0.00 N ATOM 175 CA ARG A 13 9.748 15.270 0.537 1.00 0.00 C ATOM 176 C ARG A 13 8.709 15.763 -0.487 1.00 0.00 C ATOM 177 O ARG A 13 7.566 15.353 -0.435 1.00 0.00 O ATOM 178 CB ARG A 13 10.664 14.179 -0.102 1.00 0.00 C ATOM 179 CG ARG A 13 10.345 12.774 0.446 1.00 0.00 C ATOM 180 CD ARG A 13 11.029 12.542 1.807 1.00 0.00 C ATOM 181 NE ARG A 13 12.485 12.905 1.734 1.00 0.00 N ATOM 182 CZ ARG A 13 13.288 12.363 0.856 1.00 0.00 C ATOM 183 NH1 ARG A 13 12.900 11.343 0.140 1.00 0.00 N ATOM 184 NH2 ARG A 13 14.509 12.808 0.736 1.00 0.00 N ATOM 0 H ARG A 13 8.780 13.721 1.656 1.00 0.00 H new ATOM 0 HA ARG A 13 10.380 16.101 0.850 1.00 0.00 H new ATOM 0 HB2 ARG A 13 10.536 14.185 -1.184 1.00 0.00 H new ATOM 0 HB3 ARG A 13 11.709 14.419 0.097 1.00 0.00 H new ATOM 0 HG2 ARG A 13 9.266 12.658 0.553 1.00 0.00 H new ATOM 0 HG3 ARG A 13 10.678 12.018 -0.266 1.00 0.00 H new ATOM 0 HD2 ARG A 13 10.537 13.140 2.574 1.00 0.00 H new ATOM 0 HD3 ARG A 13 10.923 11.498 2.100 1.00 0.00 H new ATOM 0 HE ARG A 13 12.858 13.594 2.388 1.00 0.00 H new ATOM 0 HH11 ARG A 13 11.962 10.961 0.263 1.00 0.00 H new ATOM 0 HH12 ARG A 13 13.535 10.928 -0.542 1.00 0.00 H new ATOM 0 HH21 ARG A 13 14.833 13.575 1.326 1.00 0.00 H new ATOM 0 HH22 ARG A 13 15.140 12.389 0.053 1.00 0.00 H new ATOM 198 N PRO A 14 9.127 16.619 -1.404 1.00 0.00 N ATOM 199 CA PRO A 14 8.219 17.142 -2.443 1.00 0.00 C ATOM 200 C PRO A 14 7.340 16.006 -2.980 1.00 0.00 C ATOM 201 O PRO A 14 7.840 14.974 -3.380 1.00 0.00 O ATOM 202 CB PRO A 14 9.171 17.696 -3.526 1.00 0.00 C ATOM 203 CG PRO A 14 10.577 17.834 -2.870 1.00 0.00 C ATOM 204 CD PRO A 14 10.515 17.126 -1.497 1.00 0.00 C ATOM 0 HA PRO A 14 7.534 17.909 -2.082 1.00 0.00 H new ATOM 0 HB2 PRO A 14 9.210 17.025 -4.384 1.00 0.00 H new ATOM 0 HB3 PRO A 14 8.820 18.661 -3.891 1.00 0.00 H new ATOM 0 HG2 PRO A 14 11.342 17.382 -3.501 1.00 0.00 H new ATOM 0 HG3 PRO A 14 10.843 18.884 -2.749 1.00 0.00 H new ATOM 0 HD2 PRO A 14 11.239 16.314 -1.436 1.00 0.00 H new ATOM 0 HD3 PRO A 14 10.741 17.816 -0.684 1.00 0.00 H new ATOM 212 N TRP A 15 6.046 16.174 -2.993 1.00 0.00 N ATOM 213 CA TRP A 15 5.190 15.068 -3.505 1.00 0.00 C ATOM 214 C TRP A 15 3.733 15.501 -3.677 1.00 0.00 C ATOM 215 O TRP A 15 2.926 14.702 -4.102 1.00 0.00 O ATOM 216 CB TRP A 15 5.237 13.896 -2.521 1.00 0.00 C ATOM 217 CG TRP A 15 4.539 12.717 -3.119 1.00 0.00 C ATOM 218 CD1 TRP A 15 3.357 12.216 -2.693 1.00 0.00 C ATOM 219 CD2 TRP A 15 4.956 11.886 -4.242 1.00 0.00 C ATOM 220 NE1 TRP A 15 3.022 11.130 -3.482 1.00 0.00 N ATOM 221 CE2 TRP A 15 3.976 10.887 -4.450 1.00 0.00 C ATOM 222 CE3 TRP A 15 6.077 11.902 -5.090 1.00 0.00 C ATOM 223 CZ2 TRP A 15 4.104 9.937 -5.464 1.00 0.00 C ATOM 224 CZ3 TRP A 15 6.209 10.948 -6.112 1.00 0.00 C ATOM 225 CH2 TRP A 15 5.225 9.967 -6.298 1.00 0.00 C ATOM 0 H TRP A 15 5.553 17.010 -2.679 1.00 0.00 H new ATOM 0 HA TRP A 15 5.578 14.777 -4.481 1.00 0.00 H new ATOM 0 HB2 TRP A 15 6.272 13.642 -2.291 1.00 0.00 H new ATOM 0 HB3 TRP A 15 4.761 14.176 -1.581 1.00 0.00 H new ATOM 0 HD1 TRP A 15 2.771 12.601 -1.872 1.00 0.00 H new ATOM 0 HE1 TRP A 15 2.174 10.576 -3.363 1.00 0.00 H new ATOM 0 HE3 TRP A 15 6.842 12.653 -4.955 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 3.342 9.184 -5.603 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 7.074 10.970 -6.759 1.00 0.00 H new ATOM 0 HH2 TRP A 15 5.333 9.235 -7.085 1.00 0.00 H new ATOM 236 N GLN A 16 3.377 16.737 -3.356 1.00 0.00 N ATOM 237 CA GLN A 16 1.940 17.185 -3.511 1.00 0.00 C ATOM 238 C GLN A 16 1.000 16.005 -3.212 1.00 0.00 C ATOM 239 O GLN A 16 0.370 15.458 -4.095 1.00 0.00 O ATOM 240 CB GLN A 16 1.691 17.711 -4.938 1.00 0.00 C ATOM 241 CG GLN A 16 2.286 16.767 -5.989 1.00 0.00 C ATOM 242 CD GLN A 16 1.906 17.264 -7.386 1.00 0.00 C ATOM 243 OE1 GLN A 16 1.168 16.610 -8.095 1.00 0.00 O ATOM 244 NE2 GLN A 16 2.383 18.400 -7.814 1.00 0.00 N ATOM 0 H GLN A 16 4.014 17.448 -2.997 1.00 0.00 H new ATOM 0 HA GLN A 16 1.742 17.993 -2.807 1.00 0.00 H new ATOM 0 HB2 GLN A 16 0.620 17.818 -5.107 1.00 0.00 H new ATOM 0 HB3 GLN A 16 2.131 18.702 -5.045 1.00 0.00 H new ATOM 0 HG2 GLN A 16 3.370 16.727 -5.887 1.00 0.00 H new ATOM 0 HG3 GLN A 16 1.914 15.754 -5.837 1.00 0.00 H new ATOM 0 HE21 GLN A 16 3.003 18.950 -7.219 1.00 0.00 H new ATOM 0 HE22 GLN A 16 2.136 18.739 -8.744 1.00 0.00 H new ATOM 253 N MET A 17 0.945 15.580 -1.971 1.00 0.00 N ATOM 254 CA MET A 17 0.100 14.406 -1.617 1.00 0.00 C ATOM 255 C MET A 17 -1.366 14.670 -1.989 1.00 0.00 C ATOM 256 O MET A 17 -2.230 13.842 -1.780 1.00 0.00 O ATOM 257 CB MET A 17 0.221 14.147 -0.108 1.00 0.00 C ATOM 258 CG MET A 17 0.330 15.483 0.633 1.00 0.00 C ATOM 259 SD MET A 17 -0.014 15.229 2.391 1.00 0.00 S ATOM 260 CE MET A 17 -0.509 16.929 2.772 1.00 0.00 C ATOM 0 H MET A 17 1.451 15.999 -1.191 1.00 0.00 H new ATOM 0 HA MET A 17 0.441 13.532 -2.172 1.00 0.00 H new ATOM 0 HB2 MET A 17 -0.647 13.592 0.247 1.00 0.00 H new ATOM 0 HB3 MET A 17 1.098 13.533 0.097 1.00 0.00 H new ATOM 0 HG2 MET A 17 1.328 15.902 0.504 1.00 0.00 H new ATOM 0 HG3 MET A 17 -0.374 16.202 0.214 1.00 0.00 H new ATOM 0 HE1 MET A 17 -0.770 17.004 3.828 1.00 0.00 H new ATOM 0 HE2 MET A 17 0.317 17.606 2.553 1.00 0.00 H new ATOM 0 HE3 MET A 17 -1.372 17.201 2.165 1.00 0.00 H new ATOM 270 N LYS A 18 -1.651 15.821 -2.531 1.00 0.00 N ATOM 271 CA LYS A 18 -3.057 16.142 -2.905 1.00 0.00 C ATOM 272 C LYS A 18 -3.540 15.153 -3.969 1.00 0.00 C ATOM 273 O LYS A 18 -4.677 15.205 -4.406 1.00 0.00 O ATOM 274 CB LYS A 18 -3.129 17.578 -3.447 1.00 0.00 C ATOM 275 CG LYS A 18 -1.845 17.898 -4.216 1.00 0.00 C ATOM 276 CD LYS A 18 -2.061 19.139 -5.087 1.00 0.00 C ATOM 277 CE LYS A 18 -2.320 20.354 -4.194 1.00 0.00 C ATOM 278 NZ LYS A 18 -2.175 21.600 -4.998 1.00 0.00 N ATOM 0 H LYS A 18 -0.971 16.554 -2.731 1.00 0.00 H new ATOM 0 HA LYS A 18 -3.698 16.061 -2.027 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -3.994 17.688 -4.101 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -3.259 18.282 -2.625 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -1.025 18.070 -3.519 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -1.562 17.050 -4.839 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -1.185 19.314 -5.712 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -2.905 18.982 -5.759 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -3.321 20.298 -3.767 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -1.618 20.362 -3.360 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -2.351 22.427 -4.392 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -1.211 21.653 -5.385 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -2.862 21.591 -5.779 1.00 0.00 H new ATOM 292 N ASP A 19 -2.704 14.221 -4.362 1.00 0.00 N ATOM 293 CA ASP A 19 -3.150 13.214 -5.375 1.00 0.00 C ATOM 294 C ASP A 19 -3.742 12.021 -4.632 1.00 0.00 C ATOM 295 O ASP A 19 -4.737 11.466 -5.057 1.00 0.00 O ATOM 296 CB ASP A 19 -1.991 12.786 -6.279 1.00 0.00 C ATOM 297 CG ASP A 19 -2.443 11.636 -7.180 1.00 0.00 C ATOM 298 OD1 ASP A 19 -3.342 11.852 -7.977 1.00 0.00 O ATOM 299 OD2 ASP A 19 -1.883 10.559 -7.059 1.00 0.00 O ATOM 0 H ASP A 19 -1.745 14.115 -4.030 1.00 0.00 H new ATOM 0 HA ASP A 19 -3.906 13.655 -6.025 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -1.659 13.628 -6.886 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -1.140 12.475 -5.674 1.00 0.00 H new ATOM 304 N LEU A 20 -3.211 11.646 -3.497 1.00 0.00 N ATOM 305 CA LEU A 20 -3.867 10.530 -2.772 1.00 0.00 C ATOM 306 C LEU A 20 -5.234 11.053 -2.356 1.00 0.00 C ATOM 307 O LEU A 20 -6.203 10.332 -2.308 1.00 0.00 O ATOM 308 CB LEU A 20 -3.048 10.068 -1.551 1.00 0.00 C ATOM 309 CG LEU A 20 -3.148 11.081 -0.378 1.00 0.00 C ATOM 310 CD1 LEU A 20 -4.252 10.661 0.611 1.00 0.00 C ATOM 311 CD2 LEU A 20 -1.813 11.129 0.382 1.00 0.00 C ATOM 0 H LEU A 20 -2.383 12.049 -3.058 1.00 0.00 H new ATOM 0 HA LEU A 20 -3.950 9.650 -3.410 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -3.405 9.092 -1.221 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -2.004 9.945 -1.838 1.00 0.00 H new ATOM 0 HG LEU A 20 -3.385 12.060 -0.795 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -4.305 11.384 1.425 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -5.210 10.626 0.093 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -4.022 9.675 1.016 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -1.888 11.841 1.204 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -1.584 10.140 0.778 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -1.019 11.440 -0.297 1.00 0.00 H new ATOM 323 N GLN A 21 -5.335 12.327 -2.085 1.00 0.00 N ATOM 324 CA GLN A 21 -6.659 12.885 -1.722 1.00 0.00 C ATOM 325 C GLN A 21 -7.611 12.558 -2.870 1.00 0.00 C ATOM 326 O GLN A 21 -8.724 12.118 -2.666 1.00 0.00 O ATOM 327 CB GLN A 21 -6.552 14.402 -1.548 1.00 0.00 C ATOM 328 CG GLN A 21 -7.849 14.942 -0.943 1.00 0.00 C ATOM 329 CD GLN A 21 -7.928 14.551 0.533 1.00 0.00 C ATOM 330 OE1 GLN A 21 -8.927 14.026 0.982 1.00 0.00 O ATOM 331 NE2 GLN A 21 -6.908 14.785 1.313 1.00 0.00 N ATOM 0 H GLN A 21 -4.564 12.995 -2.100 1.00 0.00 H new ATOM 0 HA GLN A 21 -7.019 12.460 -0.785 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -5.709 14.645 -0.902 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -6.363 14.876 -2.511 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -7.886 16.027 -1.045 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -8.708 14.542 -1.482 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -6.069 15.226 0.937 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -6.950 14.527 2.299 1.00 0.00 H new ATOM 340 N ALA A 22 -7.161 12.750 -4.086 1.00 0.00 N ATOM 341 CA ALA A 22 -8.026 12.427 -5.255 1.00 0.00 C ATOM 342 C ALA A 22 -8.558 10.997 -5.102 1.00 0.00 C ATOM 343 O ALA A 22 -9.687 10.708 -5.447 1.00 0.00 O ATOM 344 CB ALA A 22 -7.218 12.545 -6.549 1.00 0.00 C ATOM 0 H ALA A 22 -6.236 13.115 -4.315 1.00 0.00 H new ATOM 0 HA ALA A 22 -8.861 13.127 -5.298 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -7.857 12.307 -7.400 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -6.841 13.563 -6.651 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -6.380 11.849 -6.519 1.00 0.00 H new ATOM 350 N ILE A 23 -7.776 10.100 -4.556 1.00 0.00 N ATOM 351 CA ILE A 23 -8.293 8.716 -4.362 1.00 0.00 C ATOM 352 C ILE A 23 -9.398 8.808 -3.311 1.00 0.00 C ATOM 353 O ILE A 23 -10.550 8.507 -3.574 1.00 0.00 O ATOM 354 CB ILE A 23 -7.154 7.775 -3.900 1.00 0.00 C ATOM 355 CG1 ILE A 23 -6.358 7.307 -5.129 1.00 0.00 C ATOM 356 CG2 ILE A 23 -7.722 6.553 -3.147 1.00 0.00 C ATOM 357 CD1 ILE A 23 -5.906 8.528 -5.934 1.00 0.00 C ATOM 0 H ILE A 23 -6.819 10.263 -4.242 1.00 0.00 H new ATOM 0 HA ILE A 23 -8.683 8.302 -5.292 1.00 0.00 H new ATOM 0 HB ILE A 23 -6.500 8.320 -3.219 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -5.493 6.723 -4.815 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -6.974 6.656 -5.749 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -6.903 5.906 -2.832 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -8.275 6.891 -2.270 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -8.390 5.998 -3.806 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -5.341 8.200 -6.806 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -6.779 9.093 -6.259 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -5.275 9.162 -5.311 1.00 0.00 H new ATOM 369 N LYS A 24 -9.073 9.258 -2.126 1.00 0.00 N ATOM 370 CA LYS A 24 -10.110 9.407 -1.073 1.00 0.00 C ATOM 371 C LYS A 24 -11.352 10.082 -1.656 1.00 0.00 C ATOM 372 O LYS A 24 -12.447 9.626 -1.447 1.00 0.00 O ATOM 373 CB LYS A 24 -9.550 10.269 0.063 1.00 0.00 C ATOM 374 CG LYS A 24 -10.436 10.125 1.304 1.00 0.00 C ATOM 375 CD LYS A 24 -10.038 11.172 2.349 1.00 0.00 C ATOM 376 CE LYS A 24 -8.541 11.060 2.659 1.00 0.00 C ATOM 377 NZ LYS A 24 -8.261 11.698 3.976 1.00 0.00 N ATOM 0 H LYS A 24 -8.130 9.528 -1.846 1.00 0.00 H new ATOM 0 HA LYS A 24 -10.384 8.423 -0.693 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -8.530 9.964 0.295 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -9.508 11.313 -0.247 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -11.484 10.250 1.031 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -10.333 9.123 1.722 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -10.268 12.172 1.980 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -10.618 11.027 3.260 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -8.239 10.013 2.678 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -7.959 11.545 1.876 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -7.246 11.623 4.189 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -8.535 12.701 3.941 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -8.807 11.216 4.718 1.00 0.00 H new ATOM 391 N GLN A 25 -11.194 11.172 -2.361 1.00 0.00 N ATOM 392 CA GLN A 25 -12.384 11.880 -2.934 1.00 0.00 C ATOM 393 C GLN A 25 -13.393 10.868 -3.510 1.00 0.00 C ATOM 394 O GLN A 25 -14.579 10.874 -3.201 1.00 0.00 O ATOM 395 CB GLN A 25 -11.918 12.805 -4.066 1.00 0.00 C ATOM 396 CG GLN A 25 -11.236 14.043 -3.477 1.00 0.00 C ATOM 397 CD GLN A 25 -10.704 14.921 -4.611 1.00 0.00 C ATOM 398 OE1 GLN A 25 -11.082 14.754 -5.753 1.00 0.00 O ATOM 399 NE2 GLN A 25 -9.836 15.858 -4.342 1.00 0.00 N ATOM 0 H GLN A 25 -10.293 11.605 -2.566 1.00 0.00 H new ATOM 0 HA GLN A 25 -12.866 12.452 -2.141 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -11.226 12.274 -4.720 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -12.769 13.104 -4.677 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -11.944 14.606 -2.868 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -10.419 13.743 -2.821 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -9.518 15.999 -3.383 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -9.476 16.450 -5.091 1.00 0.00 H new ATOM 408 N GLU A 26 -12.902 9.979 -4.332 1.00 0.00 N ATOM 409 CA GLU A 26 -13.781 8.945 -4.951 1.00 0.00 C ATOM 410 C GLU A 26 -14.300 7.999 -3.864 1.00 0.00 C ATOM 411 O GLU A 26 -15.313 7.337 -4.023 1.00 0.00 O ATOM 412 CB GLU A 26 -12.979 8.175 -6.007 1.00 0.00 C ATOM 413 CG GLU A 26 -12.995 8.946 -7.334 1.00 0.00 C ATOM 414 CD GLU A 26 -12.230 8.158 -8.399 1.00 0.00 C ATOM 415 OE1 GLU A 26 -12.805 7.234 -8.950 1.00 0.00 O ATOM 416 OE2 GLU A 26 -11.082 8.491 -8.644 1.00 0.00 O ATOM 0 H GLU A 26 -11.920 9.925 -4.603 1.00 0.00 H new ATOM 0 HA GLU A 26 -14.637 9.417 -5.433 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -11.952 8.037 -5.668 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -13.405 7.181 -6.148 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -14.023 9.110 -7.658 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -12.542 9.929 -7.200 1.00 0.00 H new ATOM 423 N VAL A 27 -13.694 8.013 -2.712 1.00 0.00 N ATOM 424 CA VAL A 27 -14.216 7.206 -1.577 1.00 0.00 C ATOM 425 C VAL A 27 -14.896 8.210 -0.652 1.00 0.00 C ATOM 426 O VAL A 27 -15.618 7.854 0.257 1.00 0.00 O ATOM 427 CB VAL A 27 -13.094 6.464 -0.844 1.00 0.00 C ATOM 428 CG1 VAL A 27 -13.684 5.277 -0.075 1.00 0.00 C ATOM 429 CG2 VAL A 27 -12.070 5.974 -1.868 1.00 0.00 C ATOM 0 H VAL A 27 -12.853 8.553 -2.506 1.00 0.00 H new ATOM 0 HA VAL A 27 -14.903 6.434 -1.924 1.00 0.00 H new ATOM 0 HB VAL A 27 -12.604 7.133 -0.136 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -12.886 4.749 0.447 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -14.414 5.639 0.649 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -14.173 4.598 -0.773 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -11.267 5.444 -1.355 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -12.555 5.301 -2.574 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -11.656 6.827 -2.406 1.00 0.00 H new ATOM 439 N SER A 28 -14.742 9.476 -0.956 1.00 0.00 N ATOM 440 CA SER A 28 -15.454 10.527 -0.189 1.00 0.00 C ATOM 441 C SER A 28 -16.760 10.708 -0.957 1.00 0.00 C ATOM 442 O SER A 28 -17.546 11.608 -0.735 1.00 0.00 O ATOM 443 CB SER A 28 -14.647 11.832 -0.212 1.00 0.00 C ATOM 444 OG SER A 28 -15.001 12.618 0.919 1.00 0.00 O ATOM 0 H SER A 28 -14.148 9.821 -1.709 1.00 0.00 H new ATOM 0 HA SER A 28 -15.606 10.264 0.858 1.00 0.00 H new ATOM 0 HB2 SER A 28 -13.579 11.614 -0.199 1.00 0.00 H new ATOM 0 HB3 SER A 28 -14.849 12.383 -1.131 1.00 0.00 H new ATOM 0 HG SER A 28 -14.488 13.453 0.911 1.00 0.00 H new ATOM 450 N GLN A 29 -16.953 9.795 -1.879 1.00 0.00 N ATOM 451 CA GLN A 29 -18.149 9.757 -2.752 1.00 0.00 C ATOM 452 C GLN A 29 -18.941 8.502 -2.390 1.00 0.00 C ATOM 453 O GLN A 29 -20.154 8.447 -2.435 1.00 0.00 O ATOM 454 CB GLN A 29 -17.667 9.594 -4.198 1.00 0.00 C ATOM 455 CG GLN A 29 -18.855 9.745 -5.151 1.00 0.00 C ATOM 456 CD GLN A 29 -18.352 9.774 -6.595 1.00 0.00 C ATOM 457 OE1 GLN A 29 -18.203 10.829 -7.178 1.00 0.00 O ATOM 458 NE2 GLN A 29 -18.082 8.650 -7.201 1.00 0.00 N ATOM 0 H GLN A 29 -16.290 9.042 -2.062 1.00 0.00 H new ATOM 0 HA GLN A 29 -18.751 10.658 -2.635 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -16.907 10.341 -4.426 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -17.203 8.617 -4.330 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -19.552 8.918 -5.014 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -19.400 10.662 -4.926 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -18.207 7.764 -6.712 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -17.746 8.658 -8.164 1.00 0.00 H new ATOM 467 N ALA A 30 -18.184 7.475 -2.041 1.00 0.00 N ATOM 468 CA ALA A 30 -18.750 6.141 -1.667 1.00 0.00 C ATOM 469 C ALA A 30 -19.069 6.090 -0.173 1.00 0.00 C ATOM 470 O ALA A 30 -19.291 7.090 0.481 1.00 0.00 O ATOM 471 CB ALA A 30 -17.691 5.054 -1.993 1.00 0.00 C ATOM 0 H ALA A 30 -17.166 7.517 -2.001 1.00 0.00 H new ATOM 0 HA ALA A 30 -19.670 5.971 -2.226 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -18.084 4.072 -1.728 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -17.462 5.077 -3.058 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -16.783 5.248 -1.422 1.00 0.00 H new ATOM 477 N ALA A 31 -19.059 4.901 0.355 1.00 0.00 N ATOM 478 CA ALA A 31 -19.322 4.683 1.807 1.00 0.00 C ATOM 479 C ALA A 31 -17.954 4.531 2.499 1.00 0.00 C ATOM 480 O ALA A 31 -16.952 4.409 1.822 1.00 0.00 O ATOM 481 CB ALA A 31 -20.171 3.397 1.955 1.00 0.00 C ATOM 0 H ALA A 31 -18.875 4.047 -0.171 1.00 0.00 H new ATOM 0 HA ALA A 31 -19.867 5.511 2.260 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -20.377 3.216 3.010 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -21.112 3.518 1.418 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -19.623 2.550 1.542 1.00 0.00 H new ATOM 487 N PRO A 32 -17.928 4.540 3.812 1.00 0.00 N ATOM 488 CA PRO A 32 -16.656 4.400 4.540 1.00 0.00 C ATOM 489 C PRO A 32 -15.912 3.157 4.026 1.00 0.00 C ATOM 490 O PRO A 32 -16.056 2.071 4.552 1.00 0.00 O ATOM 491 CB PRO A 32 -17.061 4.271 6.028 1.00 0.00 C ATOM 492 CG PRO A 32 -18.601 4.498 6.110 1.00 0.00 C ATOM 493 CD PRO A 32 -19.126 4.679 4.666 1.00 0.00 C ATOM 0 HA PRO A 32 -15.978 5.242 4.400 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -16.796 3.287 6.414 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -16.531 5.005 6.636 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -19.088 3.649 6.591 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -18.827 5.378 6.712 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -19.877 3.928 4.420 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -19.595 5.654 4.534 1.00 0.00 H new ATOM 501 N GLY A 33 -15.129 3.312 2.985 1.00 0.00 N ATOM 502 CA GLY A 33 -14.381 2.149 2.412 1.00 0.00 C ATOM 503 C GLY A 33 -15.110 1.658 1.160 1.00 0.00 C ATOM 504 O GLY A 33 -15.182 2.342 0.159 1.00 0.00 O ATOM 0 H GLY A 33 -14.975 4.199 2.506 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -13.361 2.443 2.163 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -14.312 1.347 3.147 1.00 0.00 H new ATOM 508 N SER A 34 -15.671 0.484 1.225 1.00 0.00 N ATOM 509 CA SER A 34 -16.426 -0.065 0.064 1.00 0.00 C ATOM 510 C SER A 34 -15.480 -0.219 -1.150 1.00 0.00 C ATOM 511 O SER A 34 -14.381 0.299 -1.128 1.00 0.00 O ATOM 512 CB SER A 34 -17.583 0.902 -0.244 1.00 0.00 C ATOM 513 OG SER A 34 -17.440 1.428 -1.558 1.00 0.00 O ATOM 0 H SER A 34 -15.639 -0.126 2.042 1.00 0.00 H new ATOM 0 HA SER A 34 -16.829 -1.052 0.290 1.00 0.00 H new ATOM 0 HB2 SER A 34 -18.537 0.382 -0.153 1.00 0.00 H new ATOM 0 HB3 SER A 34 -17.592 1.714 0.483 1.00 0.00 H new ATOM 0 HG SER A 34 -16.784 2.156 -1.549 1.00 0.00 H new ATOM 519 N PRO A 35 -15.921 -0.931 -2.176 1.00 0.00 N ATOM 520 CA PRO A 35 -15.097 -1.152 -3.389 1.00 0.00 C ATOM 521 C PRO A 35 -14.525 0.166 -3.935 1.00 0.00 C ATOM 522 O PRO A 35 -13.366 0.239 -4.254 1.00 0.00 O ATOM 523 CB PRO A 35 -16.057 -1.817 -4.403 1.00 0.00 C ATOM 524 CG PRO A 35 -17.362 -2.179 -3.637 1.00 0.00 C ATOM 525 CD PRO A 35 -17.259 -1.566 -2.222 1.00 0.00 C ATOM 0 HA PRO A 35 -14.228 -1.775 -3.180 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -16.272 -1.140 -5.229 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -15.603 -2.710 -4.833 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -18.234 -1.788 -4.161 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -17.484 -3.261 -3.578 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -18.049 -0.835 -2.050 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -17.360 -2.331 -1.452 1.00 0.00 H new ATOM 533 N GLN A 36 -15.330 1.179 -4.086 1.00 0.00 N ATOM 534 CA GLN A 36 -14.835 2.483 -4.649 1.00 0.00 C ATOM 535 C GLN A 36 -13.394 2.797 -4.190 1.00 0.00 C ATOM 536 O GLN A 36 -12.652 3.463 -4.883 1.00 0.00 O ATOM 537 CB GLN A 36 -15.776 3.592 -4.183 1.00 0.00 C ATOM 538 CG GLN A 36 -17.062 3.558 -5.018 1.00 0.00 C ATOM 539 CD GLN A 36 -17.713 2.179 -4.898 1.00 0.00 C ATOM 540 OE1 GLN A 36 -17.599 1.361 -5.789 1.00 0.00 O ATOM 541 NE2 GLN A 36 -18.395 1.884 -3.825 1.00 0.00 N ATOM 0 H GLN A 36 -16.321 1.167 -3.844 1.00 0.00 H new ATOM 0 HA GLN A 36 -14.821 2.413 -5.737 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -16.012 3.463 -3.127 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -15.290 4.562 -4.284 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -17.752 4.329 -4.674 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -16.836 3.775 -6.062 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -18.491 2.571 -3.077 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -18.832 0.967 -3.735 1.00 0.00 H new ATOM 550 N PHE A 37 -12.986 2.306 -3.053 1.00 0.00 N ATOM 551 CA PHE A 37 -11.588 2.549 -2.567 1.00 0.00 C ATOM 552 C PHE A 37 -10.623 1.557 -3.238 1.00 0.00 C ATOM 553 O PHE A 37 -9.424 1.751 -3.231 1.00 0.00 O ATOM 554 CB PHE A 37 -11.581 2.383 -1.046 1.00 0.00 C ATOM 555 CG PHE A 37 -10.181 2.160 -0.513 1.00 0.00 C ATOM 556 CD1 PHE A 37 -9.615 0.881 -0.553 1.00 0.00 C ATOM 557 CD2 PHE A 37 -9.461 3.228 0.037 1.00 0.00 C ATOM 558 CE1 PHE A 37 -8.328 0.669 -0.044 1.00 0.00 C ATOM 559 CE2 PHE A 37 -8.173 3.017 0.542 1.00 0.00 C ATOM 560 CZ PHE A 37 -7.607 1.737 0.503 1.00 0.00 C ATOM 0 H PHE A 37 -13.563 1.741 -2.430 1.00 0.00 H new ATOM 0 HA PHE A 37 -11.258 3.556 -2.824 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -12.010 3.271 -0.581 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -12.214 1.540 -0.769 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -10.171 0.057 -0.976 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -9.900 4.214 0.071 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -7.892 -0.318 -0.073 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -7.616 3.841 0.962 1.00 0.00 H new ATOM 0 HZ PHE A 37 -6.614 1.574 0.895 1.00 0.00 H new ATOM 570 N MET A 38 -11.129 0.533 -3.851 1.00 0.00 N ATOM 571 CA MET A 38 -10.246 -0.433 -4.565 1.00 0.00 C ATOM 572 C MET A 38 -10.074 0.059 -6.006 1.00 0.00 C ATOM 573 O MET A 38 -8.985 0.065 -6.538 1.00 0.00 O ATOM 574 CB MET A 38 -10.884 -1.833 -4.539 1.00 0.00 C ATOM 575 CG MET A 38 -10.401 -2.688 -5.722 1.00 0.00 C ATOM 576 SD MET A 38 -8.608 -2.513 -5.914 1.00 0.00 S ATOM 577 CE MET A 38 -8.388 -3.796 -7.171 1.00 0.00 C ATOM 0 H MET A 38 -12.125 0.317 -3.892 1.00 0.00 H new ATOM 0 HA MET A 38 -9.272 -0.497 -4.081 1.00 0.00 H new ATOM 0 HB2 MET A 38 -10.635 -2.331 -3.602 1.00 0.00 H new ATOM 0 HB3 MET A 38 -11.970 -1.741 -4.573 1.00 0.00 H new ATOM 0 HG2 MET A 38 -10.658 -3.734 -5.555 1.00 0.00 H new ATOM 0 HG3 MET A 38 -10.906 -2.378 -6.637 1.00 0.00 H new ATOM 0 HE1 MET A 38 -7.602 -3.496 -7.864 1.00 0.00 H new ATOM 0 HE2 MET A 38 -8.109 -4.733 -6.689 1.00 0.00 H new ATOM 0 HE3 MET A 38 -9.321 -3.933 -7.718 1.00 0.00 H new ATOM 587 N GLN A 39 -11.128 0.489 -6.633 1.00 0.00 N ATOM 588 CA GLN A 39 -10.998 0.986 -8.030 1.00 0.00 C ATOM 589 C GLN A 39 -10.030 2.168 -8.045 1.00 0.00 C ATOM 590 O GLN A 39 -9.248 2.348 -8.961 1.00 0.00 O ATOM 591 CB GLN A 39 -12.372 1.445 -8.526 1.00 0.00 C ATOM 592 CG GLN A 39 -13.242 0.222 -8.822 1.00 0.00 C ATOM 593 CD GLN A 39 -14.645 0.678 -9.227 1.00 0.00 C ATOM 594 OE1 GLN A 39 -15.406 1.143 -8.403 1.00 0.00 O ATOM 595 NE2 GLN A 39 -15.021 0.563 -10.472 1.00 0.00 N ATOM 0 H GLN A 39 -12.070 0.519 -6.243 1.00 0.00 H new ATOM 0 HA GLN A 39 -10.622 0.194 -8.678 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -12.851 2.072 -7.774 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -12.262 2.052 -9.424 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -12.796 -0.370 -9.621 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -13.297 -0.420 -7.943 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -14.381 0.172 -11.164 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -15.954 0.864 -10.753 1.00 0.00 H new ATOM 604 N THR A 40 -10.084 2.970 -7.020 1.00 0.00 N ATOM 605 CA THR A 40 -9.202 4.147 -6.910 1.00 0.00 C ATOM 606 C THR A 40 -7.802 3.722 -6.486 1.00 0.00 C ATOM 607 O THR A 40 -6.823 4.269 -6.950 1.00 0.00 O ATOM 608 CB THR A 40 -9.786 5.062 -5.853 1.00 0.00 C ATOM 609 OG1 THR A 40 -9.811 4.379 -4.608 1.00 0.00 O ATOM 610 CG2 THR A 40 -11.209 5.485 -6.227 1.00 0.00 C ATOM 0 H THR A 40 -10.724 2.848 -6.235 1.00 0.00 H new ATOM 0 HA THR A 40 -9.133 4.653 -7.873 1.00 0.00 H new ATOM 0 HB THR A 40 -9.165 5.955 -5.781 1.00 0.00 H new ATOM 0 HG1 THR A 40 -10.202 4.961 -3.923 1.00 0.00 H new ATOM 0 HG21 THR A 40 -11.608 6.141 -5.454 1.00 0.00 H new ATOM 0 HG22 THR A 40 -11.193 6.014 -7.180 1.00 0.00 H new ATOM 0 HG23 THR A 40 -11.840 4.601 -6.314 1.00 0.00 H new ATOM 618 N ILE A 41 -7.674 2.750 -5.654 1.00 0.00 N ATOM 619 CA ILE A 41 -6.305 2.306 -5.265 1.00 0.00 C ATOM 620 C ILE A 41 -5.757 1.417 -6.368 1.00 0.00 C ATOM 621 O ILE A 41 -4.571 1.167 -6.455 1.00 0.00 O ATOM 622 CB ILE A 41 -6.373 1.536 -3.955 1.00 0.00 C ATOM 623 CG1 ILE A 41 -6.858 2.488 -2.844 1.00 0.00 C ATOM 624 CG2 ILE A 41 -4.994 0.955 -3.623 1.00 0.00 C ATOM 625 CD1 ILE A 41 -5.677 3.256 -2.223 1.00 0.00 C ATOM 0 H ILE A 41 -8.444 2.239 -5.222 1.00 0.00 H new ATOM 0 HA ILE A 41 -5.651 3.167 -5.128 1.00 0.00 H new ATOM 0 HB ILE A 41 -7.075 0.706 -4.040 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -7.580 3.194 -3.254 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -7.373 1.918 -2.071 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -5.048 0.404 -2.684 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -4.681 0.282 -4.421 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -4.271 1.765 -3.528 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -6.046 3.921 -1.442 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -4.969 2.548 -1.792 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -5.179 3.844 -2.994 1.00 0.00 H new ATOM 637 N ARG A 42 -6.614 0.954 -7.224 1.00 0.00 N ATOM 638 CA ARG A 42 -6.153 0.098 -8.340 1.00 0.00 C ATOM 639 C ARG A 42 -5.307 0.937 -9.290 1.00 0.00 C ATOM 640 O ARG A 42 -4.198 0.579 -9.634 1.00 0.00 O ATOM 641 CB ARG A 42 -7.361 -0.430 -9.107 1.00 0.00 C ATOM 642 CG ARG A 42 -6.903 -1.438 -10.164 1.00 0.00 C ATOM 643 CD ARG A 42 -8.109 -1.905 -10.982 1.00 0.00 C ATOM 644 NE ARG A 42 -9.248 -2.195 -10.068 1.00 0.00 N ATOM 645 CZ ARG A 42 -10.455 -2.316 -10.549 1.00 0.00 C ATOM 646 NH1 ARG A 42 -10.663 -2.181 -11.831 1.00 0.00 N ATOM 647 NH2 ARG A 42 -11.454 -2.572 -9.750 1.00 0.00 N ATOM 0 H ARG A 42 -7.618 1.132 -7.199 1.00 0.00 H new ATOM 0 HA ARG A 42 -5.570 -0.734 -7.944 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -8.062 -0.903 -8.419 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -7.890 0.395 -9.583 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -6.161 -0.982 -10.819 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -6.423 -2.291 -9.684 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -8.393 -1.137 -11.702 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -7.851 -2.797 -11.553 1.00 0.00 H new ATOM 0 HE ARG A 42 -9.085 -2.299 -9.067 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -9.882 -1.981 -12.456 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -11.606 -2.276 -12.207 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -11.292 -2.678 -8.749 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -12.397 -2.666 -10.127 1.00 0.00 H new ATOM 661 N LEU A 43 -5.836 2.044 -9.738 1.00 0.00 N ATOM 662 CA LEU A 43 -5.083 2.901 -10.706 1.00 0.00 C ATOM 663 C LEU A 43 -4.213 3.927 -9.982 1.00 0.00 C ATOM 664 O LEU A 43 -3.411 4.596 -10.593 1.00 0.00 O ATOM 665 CB LEU A 43 -6.085 3.628 -11.622 1.00 0.00 C ATOM 666 CG LEU A 43 -7.107 4.450 -10.790 1.00 0.00 C ATOM 667 CD1 LEU A 43 -6.639 5.905 -10.617 1.00 0.00 C ATOM 668 CD2 LEU A 43 -8.468 4.461 -11.501 1.00 0.00 C ATOM 0 H LEU A 43 -6.758 2.394 -9.477 1.00 0.00 H new ATOM 0 HA LEU A 43 -4.427 2.261 -11.296 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -5.548 4.290 -12.301 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -6.614 2.901 -12.238 1.00 0.00 H new ATOM 0 HG LEU A 43 -7.191 3.981 -9.810 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -7.374 6.456 -10.031 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -5.679 5.919 -10.101 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -6.532 6.372 -11.596 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -9.181 5.039 -10.913 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -8.360 4.913 -12.487 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -8.831 3.439 -11.608 1.00 0.00 H new ATOM 680 N ALA A 44 -4.334 4.059 -8.691 1.00 0.00 N ATOM 681 CA ALA A 44 -3.475 5.060 -7.976 1.00 0.00 C ATOM 682 C ALA A 44 -2.166 4.399 -7.547 1.00 0.00 C ATOM 683 O ALA A 44 -1.096 4.919 -7.800 1.00 0.00 O ATOM 684 CB ALA A 44 -4.214 5.615 -6.761 1.00 0.00 C ATOM 0 H ALA A 44 -4.977 3.530 -8.103 1.00 0.00 H new ATOM 0 HA ALA A 44 -3.251 5.887 -8.650 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -3.581 6.340 -6.250 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -5.134 6.101 -7.086 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -4.456 4.800 -6.079 1.00 0.00 H new ATOM 690 N VAL A 45 -2.221 3.260 -6.926 1.00 0.00 N ATOM 691 CA VAL A 45 -0.962 2.592 -6.520 1.00 0.00 C ATOM 692 C VAL A 45 -0.340 1.939 -7.757 1.00 0.00 C ATOM 693 O VAL A 45 0.855 1.762 -7.841 1.00 0.00 O ATOM 694 CB VAL A 45 -1.269 1.537 -5.449 1.00 0.00 C ATOM 695 CG1 VAL A 45 -0.058 0.625 -5.242 1.00 0.00 C ATOM 696 CG2 VAL A 45 -1.592 2.240 -4.130 1.00 0.00 C ATOM 0 H VAL A 45 -3.079 2.765 -6.683 1.00 0.00 H new ATOM 0 HA VAL A 45 -0.261 3.315 -6.102 1.00 0.00 H new ATOM 0 HB VAL A 45 -2.118 0.937 -5.775 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -0.289 -0.119 -4.480 1.00 0.00 H new ATOM 0 HG12 VAL A 45 0.183 0.122 -6.179 1.00 0.00 H new ATOM 0 HG13 VAL A 45 0.796 1.221 -4.920 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -1.811 1.495 -3.365 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -0.737 2.840 -3.818 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -2.459 2.887 -4.265 1.00 0.00 H new ATOM 706 N GLN A 46 -1.137 1.585 -8.729 1.00 0.00 N ATOM 707 CA GLN A 46 -0.566 0.948 -9.948 1.00 0.00 C ATOM 708 C GLN A 46 -0.002 2.014 -10.895 1.00 0.00 C ATOM 709 O GLN A 46 0.798 1.713 -11.759 1.00 0.00 O ATOM 710 CB GLN A 46 -1.661 0.169 -10.677 1.00 0.00 C ATOM 711 CG GLN A 46 -1.038 -0.634 -11.819 1.00 0.00 C ATOM 712 CD GLN A 46 -2.099 -1.542 -12.444 1.00 0.00 C ATOM 713 OE1 GLN A 46 -3.252 -1.169 -12.543 1.00 0.00 O ATOM 714 NE2 GLN A 46 -1.757 -2.726 -12.872 1.00 0.00 N ATOM 0 H GLN A 46 -2.150 1.708 -8.732 1.00 0.00 H new ATOM 0 HA GLN A 46 0.237 0.275 -9.645 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -2.170 -0.500 -9.983 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -2.412 0.855 -11.068 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -0.632 0.041 -12.573 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -0.207 -1.232 -11.446 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -0.790 -3.039 -12.789 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -2.457 -3.339 -13.290 1.00 0.00 H new ATOM 723 N GLN A 47 -0.423 3.252 -10.775 1.00 0.00 N ATOM 724 CA GLN A 47 0.092 4.297 -11.716 1.00 0.00 C ATOM 725 C GLN A 47 1.393 4.921 -11.209 1.00 0.00 C ATOM 726 O GLN A 47 2.434 4.805 -11.824 1.00 0.00 O ATOM 727 CB GLN A 47 -0.958 5.409 -11.866 1.00 0.00 C ATOM 728 CG GLN A 47 -2.082 4.940 -12.802 1.00 0.00 C ATOM 729 CD GLN A 47 -1.605 5.010 -14.254 1.00 0.00 C ATOM 730 OE1 GLN A 47 -0.618 5.652 -14.552 1.00 0.00 O ATOM 731 NE2 GLN A 47 -2.270 4.370 -15.177 1.00 0.00 N ATOM 0 H GLN A 47 -1.091 3.580 -10.077 1.00 0.00 H new ATOM 0 HA GLN A 47 0.288 3.815 -12.674 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -1.369 5.668 -10.890 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -0.492 6.310 -12.265 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -2.374 3.920 -12.553 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -2.965 5.565 -12.668 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -3.099 3.831 -14.927 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -1.961 4.409 -16.148 1.00 0.00 H new ATOM 740 N PHE A 48 1.325 5.618 -10.107 1.00 0.00 N ATOM 741 CA PHE A 48 2.539 6.295 -9.569 1.00 0.00 C ATOM 742 C PHE A 48 3.321 5.357 -8.654 1.00 0.00 C ATOM 743 O PHE A 48 4.371 5.721 -8.166 1.00 0.00 O ATOM 744 CB PHE A 48 2.112 7.529 -8.770 1.00 0.00 C ATOM 745 CG PHE A 48 1.467 8.536 -9.693 1.00 0.00 C ATOM 746 CD1 PHE A 48 0.106 8.428 -10.007 1.00 0.00 C ATOM 747 CD2 PHE A 48 2.229 9.578 -10.234 1.00 0.00 C ATOM 748 CE1 PHE A 48 -0.491 9.362 -10.861 1.00 0.00 C ATOM 749 CE2 PHE A 48 1.631 10.512 -11.088 1.00 0.00 C ATOM 750 CZ PHE A 48 0.271 10.404 -11.402 1.00 0.00 C ATOM 0 H PHE A 48 0.478 5.748 -9.554 1.00 0.00 H new ATOM 0 HA PHE A 48 3.177 6.584 -10.404 1.00 0.00 H new ATOM 0 HB2 PHE A 48 1.413 7.241 -7.985 1.00 0.00 H new ATOM 0 HB3 PHE A 48 2.978 7.974 -8.279 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -0.482 7.624 -9.590 1.00 0.00 H new ATOM 0 HD2 PHE A 48 3.278 9.661 -9.993 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -1.540 9.279 -11.103 1.00 0.00 H new ATOM 0 HE2 PHE A 48 2.219 11.316 -11.505 1.00 0.00 H new ATOM 0 HZ PHE A 48 -0.190 11.124 -12.061 1.00 0.00 H new ATOM 760 N ASP A 49 2.829 4.154 -8.430 1.00 0.00 N ATOM 761 CA ASP A 49 3.555 3.175 -7.541 1.00 0.00 C ATOM 762 C ASP A 49 4.394 3.902 -6.470 1.00 0.00 C ATOM 763 O ASP A 49 5.594 4.020 -6.625 1.00 0.00 O ATOM 764 CB ASP A 49 4.502 2.331 -8.391 1.00 0.00 C ATOM 765 CG ASP A 49 3.717 1.641 -9.508 1.00 0.00 C ATOM 766 OD1 ASP A 49 2.752 2.224 -9.974 1.00 0.00 O ATOM 767 OD2 ASP A 49 4.094 0.542 -9.879 1.00 0.00 O ATOM 0 H ASP A 49 1.955 3.807 -8.825 1.00 0.00 H new ATOM 0 HA ASP A 49 2.808 2.554 -7.047 1.00 0.00 H new ATOM 0 HB2 ASP A 49 5.282 2.961 -8.818 1.00 0.00 H new ATOM 0 HB3 ASP A 49 4.998 1.586 -7.769 1.00 0.00 H new ATOM 772 N PRO A 50 3.761 4.385 -5.425 1.00 0.00 N ATOM 773 CA PRO A 50 4.485 5.111 -4.362 1.00 0.00 C ATOM 774 C PRO A 50 5.662 4.265 -3.844 1.00 0.00 C ATOM 775 O PRO A 50 5.659 3.054 -3.945 1.00 0.00 O ATOM 776 CB PRO A 50 3.420 5.365 -3.272 1.00 0.00 C ATOM 777 CG PRO A 50 2.037 5.020 -3.893 1.00 0.00 C ATOM 778 CD PRO A 50 2.304 4.253 -5.206 1.00 0.00 C ATOM 0 HA PRO A 50 4.927 6.046 -4.706 1.00 0.00 H new ATOM 0 HB2 PRO A 50 3.613 4.748 -2.394 1.00 0.00 H new ATOM 0 HB3 PRO A 50 3.446 6.404 -2.943 1.00 0.00 H new ATOM 0 HG2 PRO A 50 1.448 4.413 -3.206 1.00 0.00 H new ATOM 0 HG3 PRO A 50 1.465 5.928 -4.087 1.00 0.00 H new ATOM 0 HD2 PRO A 50 2.009 3.207 -5.121 1.00 0.00 H new ATOM 0 HD3 PRO A 50 1.738 4.678 -6.035 1.00 0.00 H new ATOM 786 N THR A 51 6.667 4.898 -3.292 1.00 0.00 N ATOM 787 CA THR A 51 7.841 4.137 -2.770 1.00 0.00 C ATOM 788 C THR A 51 7.489 3.543 -1.409 1.00 0.00 C ATOM 789 O THR A 51 6.479 3.884 -0.826 1.00 0.00 O ATOM 790 CB THR A 51 9.027 5.091 -2.603 1.00 0.00 C ATOM 791 OG1 THR A 51 8.618 6.227 -1.855 1.00 0.00 O ATOM 792 CG2 THR A 51 9.526 5.535 -3.979 1.00 0.00 C ATOM 0 H THR A 51 6.724 5.910 -3.181 1.00 0.00 H new ATOM 0 HA THR A 51 8.101 3.341 -3.468 1.00 0.00 H new ATOM 0 HB THR A 51 9.833 4.580 -2.076 1.00 0.00 H new ATOM 0 HG1 THR A 51 9.405 6.757 -1.609 1.00 0.00 H new ATOM 0 HG21 THR A 51 10.370 6.214 -3.858 1.00 0.00 H new ATOM 0 HG22 THR A 51 9.841 4.662 -4.551 1.00 0.00 H new ATOM 0 HG23 THR A 51 8.723 6.046 -4.510 1.00 0.00 H new ATOM 800 N ALA A 52 8.309 2.664 -0.884 1.00 0.00 N ATOM 801 CA ALA A 52 8.004 2.073 0.455 1.00 0.00 C ATOM 802 C ALA A 52 7.628 3.211 1.404 1.00 0.00 C ATOM 803 O ALA A 52 6.498 3.358 1.800 1.00 0.00 O ATOM 804 CB ALA A 52 9.241 1.350 0.987 1.00 0.00 C ATOM 0 H ALA A 52 9.169 2.333 -1.321 1.00 0.00 H new ATOM 0 HA ALA A 52 7.183 1.360 0.377 1.00 0.00 H new ATOM 0 HB1 ALA A 52 9.019 0.919 1.963 1.00 0.00 H new ATOM 0 HB2 ALA A 52 9.524 0.556 0.296 1.00 0.00 H new ATOM 0 HB3 ALA A 52 10.064 2.059 1.082 1.00 0.00 H new ATOM 810 N LYS A 53 8.586 4.008 1.776 1.00 0.00 N ATOM 811 CA LYS A 53 8.316 5.153 2.693 1.00 0.00 C ATOM 812 C LYS A 53 7.033 5.885 2.270 1.00 0.00 C ATOM 813 O LYS A 53 6.254 6.326 3.098 1.00 0.00 O ATOM 814 CB LYS A 53 9.485 6.132 2.597 1.00 0.00 C ATOM 815 CG LYS A 53 10.798 5.433 2.994 1.00 0.00 C ATOM 816 CD LYS A 53 11.987 6.138 2.326 1.00 0.00 C ATOM 817 CE LYS A 53 13.283 5.762 3.049 1.00 0.00 C ATOM 818 NZ LYS A 53 14.451 6.255 2.267 1.00 0.00 N ATOM 0 H LYS A 53 9.558 3.916 1.481 1.00 0.00 H new ATOM 0 HA LYS A 53 8.197 4.780 3.710 1.00 0.00 H new ATOM 0 HB2 LYS A 53 9.563 6.518 1.581 1.00 0.00 H new ATOM 0 HB3 LYS A 53 9.308 6.987 3.250 1.00 0.00 H new ATOM 0 HG2 LYS A 53 10.916 5.450 4.077 1.00 0.00 H new ATOM 0 HG3 LYS A 53 10.768 4.386 2.693 1.00 0.00 H new ATOM 0 HD2 LYS A 53 12.049 5.852 1.276 1.00 0.00 H new ATOM 0 HD3 LYS A 53 11.844 7.218 2.354 1.00 0.00 H new ATOM 0 HE2 LYS A 53 13.293 6.196 4.049 1.00 0.00 H new ATOM 0 HE3 LYS A 53 13.344 4.680 3.170 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 15.301 5.720 2.538 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 14.269 6.125 1.251 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 14.600 7.265 2.465 1.00 0.00 H new ATOM 832 N ASP A 54 6.766 5.956 0.992 1.00 0.00 N ATOM 833 CA ASP A 54 5.508 6.608 0.527 1.00 0.00 C ATOM 834 C ASP A 54 4.368 5.648 0.816 1.00 0.00 C ATOM 835 O ASP A 54 3.237 6.048 0.987 1.00 0.00 O ATOM 836 CB ASP A 54 5.588 6.918 -0.977 1.00 0.00 C ATOM 837 CG ASP A 54 4.600 8.034 -1.333 1.00 0.00 C ATOM 838 OD1 ASP A 54 3.475 7.973 -0.865 1.00 0.00 O ATOM 839 OD2 ASP A 54 4.985 8.927 -2.069 1.00 0.00 O ATOM 0 H ASP A 54 7.365 5.591 0.251 1.00 0.00 H new ATOM 0 HA ASP A 54 5.350 7.554 1.046 1.00 0.00 H new ATOM 0 HB2 ASP A 54 6.601 7.220 -1.242 1.00 0.00 H new ATOM 0 HB3 ASP A 54 5.361 6.022 -1.554 1.00 0.00 H new ATOM 844 N LEU A 55 4.660 4.397 0.947 1.00 0.00 N ATOM 845 CA LEU A 55 3.587 3.446 1.310 1.00 0.00 C ATOM 846 C LEU A 55 3.063 3.899 2.674 1.00 0.00 C ATOM 847 O LEU A 55 1.880 3.857 2.948 1.00 0.00 O ATOM 848 CB LEU A 55 4.155 2.021 1.404 1.00 0.00 C ATOM 849 CG LEU A 55 3.009 0.988 1.368 1.00 0.00 C ATOM 850 CD1 LEU A 55 2.605 0.687 -0.082 1.00 0.00 C ATOM 851 CD2 LEU A 55 3.468 -0.315 2.033 1.00 0.00 C ATOM 0 H LEU A 55 5.587 3.991 0.820 1.00 0.00 H new ATOM 0 HA LEU A 55 2.793 3.433 0.564 1.00 0.00 H new ATOM 0 HB2 LEU A 55 4.843 1.841 0.578 1.00 0.00 H new ATOM 0 HB3 LEU A 55 4.726 1.909 2.325 1.00 0.00 H new ATOM 0 HG LEU A 55 2.154 1.401 1.903 1.00 0.00 H new ATOM 0 HD11 LEU A 55 1.796 -0.043 -0.090 1.00 0.00 H new ATOM 0 HD12 LEU A 55 2.270 1.605 -0.564 1.00 0.00 H new ATOM 0 HD13 LEU A 55 3.462 0.285 -0.622 1.00 0.00 H new ATOM 0 HD21 LEU A 55 2.657 -1.043 2.006 1.00 0.00 H new ATOM 0 HD22 LEU A 55 4.330 -0.713 1.498 1.00 0.00 H new ATOM 0 HD23 LEU A 55 3.744 -0.117 3.069 1.00 0.00 H new ATOM 863 N GLN A 56 3.953 4.355 3.528 1.00 0.00 N ATOM 864 CA GLN A 56 3.539 4.841 4.874 1.00 0.00 C ATOM 865 C GLN A 56 2.553 5.995 4.714 1.00 0.00 C ATOM 866 O GLN A 56 1.390 5.862 5.011 1.00 0.00 O ATOM 867 CB GLN A 56 4.769 5.328 5.642 1.00 0.00 C ATOM 868 CG GLN A 56 5.846 4.241 5.626 1.00 0.00 C ATOM 869 CD GLN A 56 7.031 4.683 6.486 1.00 0.00 C ATOM 870 OE1 GLN A 56 7.316 5.860 6.589 1.00 0.00 O ATOM 871 NE2 GLN A 56 7.740 3.783 7.112 1.00 0.00 N ATOM 0 H GLN A 56 4.955 4.409 3.343 1.00 0.00 H new ATOM 0 HA GLN A 56 3.065 4.028 5.424 1.00 0.00 H new ATOM 0 HB2 GLN A 56 5.154 6.242 5.191 1.00 0.00 H new ATOM 0 HB3 GLN A 56 4.497 5.570 6.669 1.00 0.00 H new ATOM 0 HG2 GLN A 56 5.438 3.304 6.005 1.00 0.00 H new ATOM 0 HG3 GLN A 56 6.175 4.055 4.603 1.00 0.00 H new ATOM 0 HE21 GLN A 56 7.501 2.795 7.026 1.00 0.00 H new ATOM 0 HE22 GLN A 56 8.533 4.068 7.687 1.00 0.00 H new ATOM 880 N ASP A 57 3.015 7.137 4.270 1.00 0.00 N ATOM 881 CA ASP A 57 2.092 8.312 4.110 1.00 0.00 C ATOM 882 C ASP A 57 0.745 7.856 3.527 1.00 0.00 C ATOM 883 O ASP A 57 -0.275 8.476 3.753 1.00 0.00 O ATOM 884 CB ASP A 57 2.732 9.356 3.193 1.00 0.00 C ATOM 885 CG ASP A 57 1.935 10.660 3.270 1.00 0.00 C ATOM 886 OD1 ASP A 57 0.754 10.628 2.968 1.00 0.00 O ATOM 887 OD2 ASP A 57 2.520 11.668 3.631 1.00 0.00 O ATOM 0 H ASP A 57 3.986 7.310 4.011 1.00 0.00 H new ATOM 0 HA ASP A 57 1.917 8.757 5.089 1.00 0.00 H new ATOM 0 HB2 ASP A 57 3.766 9.531 3.490 1.00 0.00 H new ATOM 0 HB3 ASP A 57 2.753 8.990 2.166 1.00 0.00 H new ATOM 892 N LEU A 58 0.720 6.768 2.805 1.00 0.00 N ATOM 893 CA LEU A 58 -0.575 6.265 2.243 1.00 0.00 C ATOM 894 C LEU A 58 -1.168 5.249 3.228 1.00 0.00 C ATOM 895 O LEU A 58 -2.369 5.081 3.313 1.00 0.00 O ATOM 896 CB LEU A 58 -0.328 5.598 0.880 1.00 0.00 C ATOM 897 CG LEU A 58 -0.281 6.641 -0.254 1.00 0.00 C ATOM 898 CD1 LEU A 58 -1.694 7.119 -0.613 1.00 0.00 C ATOM 899 CD2 LEU A 58 0.571 7.848 0.161 1.00 0.00 C ATOM 0 H LEU A 58 1.538 6.203 2.578 1.00 0.00 H new ATOM 0 HA LEU A 58 -1.270 7.093 2.101 1.00 0.00 H new ATOM 0 HB2 LEU A 58 0.611 5.046 0.908 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -1.118 4.874 0.679 1.00 0.00 H new ATOM 0 HG LEU A 58 0.167 6.165 -1.126 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -1.636 7.855 -1.415 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -2.293 6.270 -0.942 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -2.158 7.573 0.263 1.00 0.00 H new ATOM 0 HD21 LEU A 58 0.593 8.574 -0.651 1.00 0.00 H new ATOM 0 HD22 LEU A 58 0.139 8.310 1.049 1.00 0.00 H new ATOM 0 HD23 LEU A 58 1.586 7.518 0.381 1.00 0.00 H new ATOM 911 N LEU A 59 -0.338 4.606 3.999 1.00 0.00 N ATOM 912 CA LEU A 59 -0.838 3.631 5.014 1.00 0.00 C ATOM 913 C LEU A 59 -1.063 4.377 6.337 1.00 0.00 C ATOM 914 O LEU A 59 -1.771 3.922 7.196 1.00 0.00 O ATOM 915 CB LEU A 59 0.207 2.513 5.199 1.00 0.00 C ATOM 916 CG LEU A 59 -0.448 1.216 5.724 1.00 0.00 C ATOM 917 CD1 LEU A 59 0.556 0.065 5.585 1.00 0.00 C ATOM 918 CD2 LEU A 59 -0.870 1.365 7.207 1.00 0.00 C ATOM 0 H LEU A 59 0.676 4.713 3.971 1.00 0.00 H new ATOM 0 HA LEU A 59 -1.776 3.183 4.687 1.00 0.00 H new ATOM 0 HB2 LEU A 59 0.703 2.314 4.249 1.00 0.00 H new ATOM 0 HB3 LEU A 59 0.977 2.843 5.897 1.00 0.00 H new ATOM 0 HG LEU A 59 -1.344 1.010 5.138 1.00 0.00 H new ATOM 0 HD11 LEU A 59 0.106 -0.857 5.952 1.00 0.00 H new ATOM 0 HD12 LEU A 59 0.827 -0.056 4.536 1.00 0.00 H new ATOM 0 HD13 LEU A 59 1.450 0.289 6.167 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -1.328 0.437 7.550 1.00 0.00 H new ATOM 0 HD22 LEU A 59 0.008 1.583 7.815 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -1.587 2.180 7.301 1.00 0.00 H new ATOM 930 N GLN A 60 -0.445 5.509 6.518 1.00 0.00 N ATOM 931 CA GLN A 60 -0.615 6.269 7.798 1.00 0.00 C ATOM 932 C GLN A 60 -1.664 7.371 7.635 1.00 0.00 C ATOM 933 O GLN A 60 -2.218 7.860 8.600 1.00 0.00 O ATOM 934 CB GLN A 60 0.721 6.924 8.143 1.00 0.00 C ATOM 935 CG GLN A 60 1.716 5.849 8.588 1.00 0.00 C ATOM 936 CD GLN A 60 3.016 6.514 9.046 1.00 0.00 C ATOM 937 OE1 GLN A 60 3.655 6.052 9.970 1.00 0.00 O ATOM 938 NE2 GLN A 60 3.436 7.587 8.434 1.00 0.00 N ATOM 0 H GLN A 60 0.174 5.947 5.835 1.00 0.00 H new ATOM 0 HA GLN A 60 -0.938 5.584 8.582 1.00 0.00 H new ATOM 0 HB2 GLN A 60 1.110 7.459 7.277 1.00 0.00 H new ATOM 0 HB3 GLN A 60 0.584 7.659 8.936 1.00 0.00 H new ATOM 0 HG2 GLN A 60 1.291 5.259 9.400 1.00 0.00 H new ATOM 0 HG3 GLN A 60 1.917 5.162 7.766 1.00 0.00 H new ATOM 0 HE21 GLN A 60 2.899 7.975 7.658 1.00 0.00 H new ATOM 0 HE22 GLN A 60 4.301 8.038 8.731 1.00 0.00 H new ATOM 947 N TYR A 61 -1.927 7.782 6.421 1.00 0.00 N ATOM 948 CA TYR A 61 -2.923 8.873 6.190 1.00 0.00 C ATOM 949 C TYR A 61 -4.285 8.270 5.850 1.00 0.00 C ATOM 950 O TYR A 61 -5.296 8.648 6.407 1.00 0.00 O ATOM 951 CB TYR A 61 -2.452 9.745 5.025 1.00 0.00 C ATOM 952 CG TYR A 61 -3.300 10.993 4.952 1.00 0.00 C ATOM 953 CD1 TYR A 61 -2.999 12.092 5.766 1.00 0.00 C ATOM 954 CD2 TYR A 61 -4.386 11.051 4.071 1.00 0.00 C ATOM 955 CE1 TYR A 61 -3.784 13.249 5.698 1.00 0.00 C ATOM 956 CE2 TYR A 61 -5.171 12.208 4.003 1.00 0.00 C ATOM 957 CZ TYR A 61 -4.870 13.307 4.816 1.00 0.00 C ATOM 958 OH TYR A 61 -5.644 14.447 4.749 1.00 0.00 O ATOM 0 H TYR A 61 -1.494 7.408 5.577 1.00 0.00 H new ATOM 0 HA TYR A 61 -3.013 9.476 7.093 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -1.404 10.013 5.158 1.00 0.00 H new ATOM 0 HB3 TYR A 61 -2.523 9.190 4.090 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -2.161 12.047 6.446 1.00 0.00 H new ATOM 0 HD2 TYR A 61 -4.618 10.203 3.444 1.00 0.00 H new ATOM 0 HE1 TYR A 61 -3.552 14.097 6.326 1.00 0.00 H new ATOM 0 HE2 TYR A 61 -6.009 12.253 3.323 1.00 0.00 H new ATOM 0 HH TYR A 61 -5.094 15.229 4.964 1.00 0.00 H new ATOM 968 N LEU A 62 -4.323 7.336 4.941 1.00 0.00 N ATOM 969 CA LEU A 62 -5.630 6.719 4.577 1.00 0.00 C ATOM 970 C LEU A 62 -6.065 5.768 5.690 1.00 0.00 C ATOM 971 O LEU A 62 -7.209 5.365 5.749 1.00 0.00 O ATOM 972 CB LEU A 62 -5.505 5.952 3.259 1.00 0.00 C ATOM 973 CG LEU A 62 -5.059 6.902 2.141 1.00 0.00 C ATOM 974 CD1 LEU A 62 -4.697 6.082 0.900 1.00 0.00 C ATOM 975 CD2 LEU A 62 -6.191 7.884 1.795 1.00 0.00 C ATOM 0 H LEU A 62 -3.513 6.975 4.437 1.00 0.00 H new ATOM 0 HA LEU A 62 -6.375 7.505 4.454 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -4.785 5.141 3.367 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -6.461 5.497 3.001 1.00 0.00 H new ATOM 0 HG LEU A 62 -4.191 7.469 2.478 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -4.379 6.752 0.101 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -3.886 5.395 1.142 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -5.568 5.514 0.572 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -5.862 8.553 1.000 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -7.067 7.327 1.461 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -6.448 8.469 2.678 1.00 0.00 H new ATOM 987 N CYS A 63 -5.172 5.424 6.587 1.00 0.00 N ATOM 988 CA CYS A 63 -5.545 4.515 7.717 1.00 0.00 C ATOM 989 C CYS A 63 -5.581 5.336 9.009 1.00 0.00 C ATOM 990 O CYS A 63 -6.047 6.458 9.027 1.00 0.00 O ATOM 991 CB CYS A 63 -4.507 3.399 7.838 1.00 0.00 C ATOM 992 SG CYS A 63 -4.011 2.877 6.177 1.00 0.00 S ATOM 0 H CYS A 63 -4.200 5.734 6.585 1.00 0.00 H new ATOM 0 HA CYS A 63 -6.523 4.068 7.535 1.00 0.00 H new ATOM 0 HB2 CYS A 63 -3.640 3.750 8.398 1.00 0.00 H new ATOM 0 HB3 CYS A 63 -4.923 2.556 8.390 1.00 0.00 H new ATOM 0 HG CYS A 63 -3.478 1.693 6.235 1.00 0.00 H new ATOM 998 N SER A 64 -5.113 4.783 10.093 1.00 0.00 N ATOM 999 CA SER A 64 -5.145 5.531 11.379 1.00 0.00 C ATOM 1000 C SER A 64 -4.461 4.710 12.471 1.00 0.00 C ATOM 1001 O SER A 64 -3.401 5.053 12.956 1.00 0.00 O ATOM 1002 CB SER A 64 -6.601 5.747 11.760 1.00 0.00 C ATOM 1003 OG SER A 64 -6.694 6.004 13.156 1.00 0.00 O ATOM 0 H SER A 64 -4.711 3.847 10.143 1.00 0.00 H new ATOM 0 HA SER A 64 -4.627 6.484 11.272 1.00 0.00 H new ATOM 0 HB2 SER A 64 -7.015 6.584 11.197 1.00 0.00 H new ATOM 0 HB3 SER A 64 -7.190 4.867 11.502 1.00 0.00 H new ATOM 0 HG SER A 64 -7.632 6.145 13.401 1.00 0.00 H new ATOM 1009 N SER A 65 -5.067 3.622 12.854 1.00 0.00 N ATOM 1010 CA SER A 65 -4.476 2.750 13.910 1.00 0.00 C ATOM 1011 C SER A 65 -4.867 1.306 13.612 1.00 0.00 C ATOM 1012 O SER A 65 -4.122 0.563 13.001 1.00 0.00 O ATOM 1013 CB SER A 65 -5.023 3.158 15.279 1.00 0.00 C ATOM 1014 OG SER A 65 -4.586 4.475 15.586 1.00 0.00 O ATOM 0 H SER A 65 -5.957 3.295 12.477 1.00 0.00 H new ATOM 0 HA SER A 65 -3.391 2.852 13.919 1.00 0.00 H new ATOM 0 HB2 SER A 65 -6.112 3.115 15.276 1.00 0.00 H new ATOM 0 HB3 SER A 65 -4.679 2.461 16.043 1.00 0.00 H new ATOM 0 HG SER A 65 -4.936 4.740 16.462 1.00 0.00 H new ATOM 1020 N LEU A 66 -6.035 0.899 14.022 1.00 0.00 N ATOM 1021 CA LEU A 66 -6.462 -0.493 13.737 1.00 0.00 C ATOM 1022 C LEU A 66 -6.411 -0.725 12.231 1.00 0.00 C ATOM 1023 O LEU A 66 -5.709 -1.587 11.770 1.00 0.00 O ATOM 1024 CB LEU A 66 -7.889 -0.712 14.246 1.00 0.00 C ATOM 1025 CG LEU A 66 -8.012 -0.206 15.687 1.00 0.00 C ATOM 1026 CD1 LEU A 66 -9.371 -0.622 16.254 1.00 0.00 C ATOM 1027 CD2 LEU A 66 -6.892 -0.808 16.547 1.00 0.00 C ATOM 0 H LEU A 66 -6.706 1.467 14.538 1.00 0.00 H new ATOM 0 HA LEU A 66 -5.796 -1.193 14.242 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -8.598 -0.187 13.605 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -8.142 -1.771 14.200 1.00 0.00 H new ATOM 0 HG LEU A 66 -7.926 0.881 15.698 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -9.462 -0.264 17.279 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -10.166 -0.190 15.646 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -9.454 -1.709 16.241 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -6.984 -0.445 17.571 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -6.971 -1.895 16.539 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -5.924 -0.512 16.143 1.00 0.00 H new ATOM 1039 N VAL A 67 -7.189 0.007 11.470 1.00 0.00 N ATOM 1040 CA VAL A 67 -7.228 -0.192 9.980 1.00 0.00 C ATOM 1041 C VAL A 67 -5.845 -0.634 9.455 1.00 0.00 C ATOM 1042 O VAL A 67 -5.717 -1.607 8.738 1.00 0.00 O ATOM 1043 CB VAL A 67 -7.634 1.122 9.317 1.00 0.00 C ATOM 1044 CG1 VAL A 67 -7.911 0.896 7.831 1.00 0.00 C ATOM 1045 CG2 VAL A 67 -8.895 1.665 9.993 1.00 0.00 C ATOM 0 H VAL A 67 -7.806 0.741 11.818 1.00 0.00 H new ATOM 0 HA VAL A 67 -7.951 -0.972 9.741 1.00 0.00 H new ATOM 0 HB VAL A 67 -6.821 1.841 9.423 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -8.200 1.839 7.367 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -7.012 0.514 7.347 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -8.719 0.173 7.717 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -9.186 2.603 9.520 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -9.703 0.941 9.890 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -8.695 1.838 11.050 1.00 0.00 H new ATOM 1055 N ALA A 68 -4.809 0.075 9.845 1.00 0.00 N ATOM 1056 CA ALA A 68 -3.420 -0.290 9.418 1.00 0.00 C ATOM 1057 C ALA A 68 -3.156 -1.748 9.797 1.00 0.00 C ATOM 1058 O ALA A 68 -2.622 -2.522 9.020 1.00 0.00 O ATOM 1059 CB ALA A 68 -2.414 0.609 10.142 1.00 0.00 C ATOM 0 H ALA A 68 -4.869 0.897 10.446 1.00 0.00 H new ATOM 0 HA ALA A 68 -3.316 -0.159 8.341 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -1.402 0.345 9.833 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -2.610 1.651 9.890 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -2.512 0.471 11.219 1.00 0.00 H new ATOM 1065 N SER A 69 -3.601 -2.143 10.960 1.00 0.00 N ATOM 1066 CA SER A 69 -3.464 -3.556 11.391 1.00 0.00 C ATOM 1067 C SER A 69 -4.089 -4.453 10.320 1.00 0.00 C ATOM 1068 O SER A 69 -3.428 -5.185 9.611 1.00 0.00 O ATOM 1069 CB SER A 69 -4.263 -3.725 12.698 1.00 0.00 C ATOM 1070 OG SER A 69 -3.955 -2.648 13.574 1.00 0.00 O ATOM 0 H SER A 69 -4.060 -1.533 11.637 1.00 0.00 H new ATOM 0 HA SER A 69 -2.417 -3.820 11.537 1.00 0.00 H new ATOM 0 HB2 SER A 69 -5.332 -3.743 12.486 1.00 0.00 H new ATOM 0 HB3 SER A 69 -4.016 -4.676 13.170 1.00 0.00 H new ATOM 0 HG SER A 69 -4.332 -2.829 14.460 1.00 0.00 H new ATOM 1076 N LEU A 70 -5.393 -4.387 10.247 1.00 0.00 N ATOM 1077 CA LEU A 70 -6.219 -5.183 9.308 1.00 0.00 C ATOM 1078 C LEU A 70 -5.609 -5.377 7.913 1.00 0.00 C ATOM 1079 O LEU A 70 -5.240 -6.468 7.526 1.00 0.00 O ATOM 1080 CB LEU A 70 -7.551 -4.409 9.127 1.00 0.00 C ATOM 1081 CG LEU A 70 -8.528 -4.684 10.294 1.00 0.00 C ATOM 1082 CD1 LEU A 70 -8.992 -6.157 10.291 1.00 0.00 C ATOM 1083 CD2 LEU A 70 -7.854 -4.354 11.629 1.00 0.00 C ATOM 0 H LEU A 70 -5.946 -3.771 10.843 1.00 0.00 H new ATOM 0 HA LEU A 70 -6.324 -6.179 9.738 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -7.347 -3.340 9.066 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -8.017 -4.699 8.185 1.00 0.00 H new ATOM 0 HG LEU A 70 -9.403 -4.048 10.163 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -9.678 -6.324 11.121 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -9.499 -6.377 9.351 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -8.127 -6.811 10.398 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -8.549 -4.550 12.446 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -6.966 -4.974 11.751 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -7.567 -3.303 11.642 1.00 0.00 H new ATOM 1095 N HIS A 71 -5.663 -4.354 7.098 1.00 0.00 N ATOM 1096 CA HIS A 71 -5.261 -4.546 5.679 1.00 0.00 C ATOM 1097 C HIS A 71 -3.885 -5.205 5.566 1.00 0.00 C ATOM 1098 O HIS A 71 -3.697 -6.167 4.829 1.00 0.00 O ATOM 1099 CB HIS A 71 -5.280 -3.217 4.916 1.00 0.00 C ATOM 1100 CG HIS A 71 -6.481 -2.397 5.315 1.00 0.00 C ATOM 1101 ND1 HIS A 71 -7.378 -2.806 6.290 1.00 0.00 N ATOM 1102 CD2 HIS A 71 -6.938 -1.177 4.879 1.00 0.00 C ATOM 1103 CE1 HIS A 71 -8.314 -1.849 6.410 1.00 0.00 C ATOM 1104 NE2 HIS A 71 -8.095 -0.834 5.571 1.00 0.00 N ATOM 0 H HIS A 71 -5.963 -3.412 7.350 1.00 0.00 H new ATOM 0 HA HIS A 71 -5.992 -5.216 5.226 1.00 0.00 H new ATOM 0 HB2 HIS A 71 -4.367 -2.659 5.122 1.00 0.00 H new ATOM 0 HB3 HIS A 71 -5.302 -3.407 3.843 1.00 0.00 H new ATOM 0 HD2 HIS A 71 -6.470 -0.575 4.114 1.00 0.00 H new ATOM 0 HE1 HIS A 71 -9.143 -1.895 7.101 1.00 0.00 H new ATOM 0 HE2 HIS A 71 -8.655 0.011 5.461 1.00 0.00 H new ATOM 1112 N HIS A 72 -2.896 -4.698 6.271 1.00 0.00 N ATOM 1113 CA HIS A 72 -1.553 -5.326 6.140 1.00 0.00 C ATOM 1114 C HIS A 72 -1.600 -6.678 6.838 1.00 0.00 C ATOM 1115 O HIS A 72 -0.755 -7.523 6.628 1.00 0.00 O ATOM 1116 CB HIS A 72 -0.457 -4.431 6.718 1.00 0.00 C ATOM 1117 CG HIS A 72 0.852 -5.171 6.707 1.00 0.00 C ATOM 1118 ND1 HIS A 72 1.854 -4.887 5.791 1.00 0.00 N ATOM 1119 CD2 HIS A 72 1.339 -6.187 7.491 1.00 0.00 C ATOM 1120 CE1 HIS A 72 2.882 -5.716 6.046 1.00 0.00 C ATOM 1121 NE2 HIS A 72 2.621 -6.530 7.072 1.00 0.00 N ATOM 0 H HIS A 72 -2.962 -3.904 6.908 1.00 0.00 H new ATOM 0 HA HIS A 72 -1.307 -5.462 5.087 1.00 0.00 H new ATOM 0 HB2 HIS A 72 -0.374 -3.515 6.133 1.00 0.00 H new ATOM 0 HB3 HIS A 72 -0.712 -4.137 7.736 1.00 0.00 H new ATOM 0 HD2 HIS A 72 0.808 -6.650 8.309 1.00 0.00 H new ATOM 0 HE1 HIS A 72 3.807 -5.723 5.488 1.00 0.00 H new ATOM 0 HE2 HIS A 72 3.230 -7.248 7.464 1.00 0.00 H new ATOM 1129 N GLN A 73 -2.625 -6.919 7.623 1.00 0.00 N ATOM 1130 CA GLN A 73 -2.753 -8.254 8.267 1.00 0.00 C ATOM 1131 C GLN A 73 -2.682 -9.263 7.127 1.00 0.00 C ATOM 1132 O GLN A 73 -1.779 -10.070 7.051 1.00 0.00 O ATOM 1133 CB GLN A 73 -4.099 -8.368 9.005 1.00 0.00 C ATOM 1134 CG GLN A 73 -4.013 -9.456 10.080 1.00 0.00 C ATOM 1135 CD GLN A 73 -3.098 -8.986 11.213 1.00 0.00 C ATOM 1136 OE1 GLN A 73 -2.597 -7.880 11.186 1.00 0.00 O ATOM 1137 NE2 GLN A 73 -2.858 -9.787 12.215 1.00 0.00 N ATOM 0 H GLN A 73 -3.367 -6.254 7.840 1.00 0.00 H new ATOM 0 HA GLN A 73 -1.971 -8.424 9.007 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -4.355 -7.412 9.462 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -4.893 -8.606 8.297 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -5.007 -9.676 10.469 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -3.628 -10.379 9.647 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -3.279 -10.716 12.238 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -2.250 -9.484 12.976 1.00 0.00 H new ATOM 1146 N GLN A 74 -3.630 -9.202 6.218 1.00 0.00 N ATOM 1147 CA GLN A 74 -3.610 -10.132 5.048 1.00 0.00 C ATOM 1148 C GLN A 74 -2.170 -10.165 4.529 1.00 0.00 C ATOM 1149 O GLN A 74 -1.451 -11.123 4.732 1.00 0.00 O ATOM 1150 CB GLN A 74 -4.545 -9.583 3.967 1.00 0.00 C ATOM 1151 CG GLN A 74 -6.001 -9.810 4.382 1.00 0.00 C ATOM 1152 CD GLN A 74 -6.334 -11.302 4.301 1.00 0.00 C ATOM 1153 OE1 GLN A 74 -6.918 -11.855 5.211 1.00 0.00 O ATOM 1154 NE2 GLN A 74 -5.984 -11.980 3.243 1.00 0.00 N ATOM 0 H GLN A 74 -4.413 -8.549 6.239 1.00 0.00 H new ATOM 0 HA GLN A 74 -3.941 -11.134 5.322 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -4.360 -8.519 3.819 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -4.346 -10.077 3.016 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -6.161 -9.446 5.397 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -6.667 -9.243 3.732 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -5.494 -11.515 2.479 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -6.201 -12.975 3.180 1.00 0.00 H new ATOM 1163 N LEU A 75 -1.731 -9.062 3.932 1.00 0.00 N ATOM 1164 CA LEU A 75 -0.309 -8.920 3.461 1.00 0.00 C ATOM 1165 C LEU A 75 0.633 -9.673 4.407 1.00 0.00 C ATOM 1166 O LEU A 75 1.352 -10.556 3.987 1.00 0.00 O ATOM 1167 CB LEU A 75 0.032 -7.413 3.491 1.00 0.00 C ATOM 1168 CG LEU A 75 1.124 -7.079 2.463 1.00 0.00 C ATOM 1169 CD1 LEU A 75 1.390 -5.573 2.477 1.00 0.00 C ATOM 1170 CD2 LEU A 75 2.410 -7.822 2.826 1.00 0.00 C ATOM 0 H LEU A 75 -2.315 -8.245 3.752 1.00 0.00 H new ATOM 0 HA LEU A 75 -0.193 -9.331 2.458 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -0.864 -6.829 3.279 1.00 0.00 H new ATOM 0 HB3 LEU A 75 0.368 -7.132 4.489 1.00 0.00 H new ATOM 0 HG LEU A 75 0.794 -7.384 1.470 1.00 0.00 H new ATOM 0 HD11 LEU A 75 2.165 -5.334 1.748 1.00 0.00 H new ATOM 0 HD12 LEU A 75 0.474 -5.039 2.222 1.00 0.00 H new ATOM 0 HD13 LEU A 75 1.721 -5.271 3.471 1.00 0.00 H new ATOM 0 HD21 LEU A 75 3.185 -7.585 2.097 1.00 0.00 H new ATOM 0 HD22 LEU A 75 2.740 -7.515 3.819 1.00 0.00 H new ATOM 0 HD23 LEU A 75 2.223 -8.896 2.822 1.00 0.00 H new ATOM 1182 N ASP A 76 0.619 -9.323 5.670 1.00 0.00 N ATOM 1183 CA ASP A 76 1.488 -10.000 6.689 1.00 0.00 C ATOM 1184 C ASP A 76 1.786 -11.449 6.286 1.00 0.00 C ATOM 1185 O ASP A 76 2.882 -11.800 5.885 1.00 0.00 O ATOM 1186 CB ASP A 76 0.715 -10.008 8.036 1.00 0.00 C ATOM 1187 CG ASP A 76 1.702 -10.049 9.210 1.00 0.00 C ATOM 1188 OD1 ASP A 76 2.597 -10.877 9.177 1.00 0.00 O ATOM 1189 OD2 ASP A 76 1.543 -9.251 10.120 1.00 0.00 O ATOM 0 H ASP A 76 0.030 -8.581 6.047 1.00 0.00 H new ATOM 0 HA ASP A 76 2.434 -9.465 6.769 1.00 0.00 H new ATOM 0 HB2 ASP A 76 0.087 -9.120 8.109 1.00 0.00 H new ATOM 0 HB3 ASP A 76 0.051 -10.872 8.078 1.00 0.00 H new ATOM 1194 N SER A 77 0.796 -12.289 6.409 1.00 0.00 N ATOM 1195 CA SER A 77 0.961 -13.718 6.071 1.00 0.00 C ATOM 1196 C SER A 77 0.923 -13.927 4.565 1.00 0.00 C ATOM 1197 O SER A 77 1.557 -14.830 4.056 1.00 0.00 O ATOM 1198 CB SER A 77 -0.189 -14.497 6.686 1.00 0.00 C ATOM 1199 OG SER A 77 -0.062 -14.493 8.101 1.00 0.00 O ATOM 0 H SER A 77 -0.136 -12.034 6.736 1.00 0.00 H new ATOM 0 HA SER A 77 1.923 -14.059 6.455 1.00 0.00 H new ATOM 0 HB2 SER A 77 -1.140 -14.052 6.395 1.00 0.00 H new ATOM 0 HB3 SER A 77 -0.189 -15.521 6.313 1.00 0.00 H new ATOM 0 HG SER A 77 -0.805 -14.994 8.498 1.00 0.00 H new ATOM 1205 N LEU A 78 0.170 -13.133 3.836 1.00 0.00 N ATOM 1206 CA LEU A 78 0.101 -13.339 2.375 1.00 0.00 C ATOM 1207 C LEU A 78 1.522 -13.493 1.862 1.00 0.00 C ATOM 1208 O LEU A 78 1.908 -14.532 1.364 1.00 0.00 O ATOM 1209 CB LEU A 78 -0.596 -12.126 1.721 1.00 0.00 C ATOM 1210 CG LEU A 78 -1.811 -12.593 0.917 1.00 0.00 C ATOM 1211 CD1 LEU A 78 -2.982 -12.875 1.863 1.00 0.00 C ATOM 1212 CD2 LEU A 78 -2.210 -11.513 -0.097 1.00 0.00 C ATOM 0 H LEU A 78 -0.391 -12.361 4.197 1.00 0.00 H new ATOM 0 HA LEU A 78 -0.474 -14.231 2.128 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -0.908 -11.418 2.489 1.00 0.00 H new ATOM 0 HB3 LEU A 78 0.103 -11.602 1.069 1.00 0.00 H new ATOM 0 HG LEU A 78 -1.555 -13.508 0.382 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -3.845 -13.207 1.285 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -2.698 -13.653 2.571 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -3.238 -11.965 2.407 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -3.076 -11.851 -0.667 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -2.460 -10.593 0.431 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -1.378 -11.327 -0.777 1.00 0.00 H new ATOM 1224 N ILE A 79 2.322 -12.475 2.034 1.00 0.00 N ATOM 1225 CA ILE A 79 3.738 -12.560 1.624 1.00 0.00 C ATOM 1226 C ILE A 79 4.302 -13.876 2.170 1.00 0.00 C ATOM 1227 O ILE A 79 4.822 -14.686 1.431 1.00 0.00 O ATOM 1228 CB ILE A 79 4.468 -11.330 2.235 1.00 0.00 C ATOM 1229 CG1 ILE A 79 4.530 -10.178 1.208 1.00 0.00 C ATOM 1230 CG2 ILE A 79 5.890 -11.680 2.697 1.00 0.00 C ATOM 1231 CD1 ILE A 79 5.305 -10.588 -0.057 1.00 0.00 C ATOM 0 H ILE A 79 2.045 -11.584 2.445 1.00 0.00 H new ATOM 0 HA ILE A 79 3.866 -12.549 0.542 1.00 0.00 H new ATOM 0 HB ILE A 79 3.895 -11.015 3.107 1.00 0.00 H new ATOM 0 HG12 ILE A 79 3.518 -9.879 0.935 1.00 0.00 H new ATOM 0 HG13 ILE A 79 5.007 -9.310 1.663 1.00 0.00 H new ATOM 0 HG21 ILE A 79 6.365 -10.793 3.117 1.00 0.00 H new ATOM 0 HG22 ILE A 79 5.844 -12.461 3.456 1.00 0.00 H new ATOM 0 HG23 ILE A 79 6.472 -12.034 1.846 1.00 0.00 H new ATOM 0 HD11 ILE A 79 5.328 -9.752 -0.757 1.00 0.00 H new ATOM 0 HD12 ILE A 79 6.325 -10.862 0.214 1.00 0.00 H new ATOM 0 HD13 ILE A 79 4.812 -11.440 -0.525 1.00 0.00 H new ATOM 1243 N SER A 80 4.211 -14.090 3.459 1.00 0.00 N ATOM 1244 CA SER A 80 4.757 -15.351 4.031 1.00 0.00 C ATOM 1245 C SER A 80 4.324 -16.542 3.171 1.00 0.00 C ATOM 1246 O SER A 80 5.132 -17.366 2.778 1.00 0.00 O ATOM 1247 CB SER A 80 4.235 -15.542 5.454 1.00 0.00 C ATOM 1248 OG SER A 80 4.363 -14.320 6.169 1.00 0.00 O ATOM 0 H SER A 80 3.786 -13.451 4.131 1.00 0.00 H new ATOM 0 HA SER A 80 5.845 -15.290 4.047 1.00 0.00 H new ATOM 0 HB2 SER A 80 3.191 -15.856 5.432 1.00 0.00 H new ATOM 0 HB3 SER A 80 4.795 -16.331 5.956 1.00 0.00 H new ATOM 0 HG SER A 80 4.027 -14.439 7.082 1.00 0.00 H new ATOM 1254 N GLU A 81 3.055 -16.659 2.892 1.00 0.00 N ATOM 1255 CA GLU A 81 2.587 -17.817 2.094 1.00 0.00 C ATOM 1256 C GLU A 81 2.863 -17.620 0.601 1.00 0.00 C ATOM 1257 O GLU A 81 2.938 -18.582 -0.138 1.00 0.00 O ATOM 1258 CB GLU A 81 1.081 -17.981 2.308 1.00 0.00 C ATOM 1259 CG GLU A 81 0.636 -19.361 1.821 1.00 0.00 C ATOM 1260 CD GLU A 81 1.157 -20.435 2.778 1.00 0.00 C ATOM 1261 OE1 GLU A 81 0.907 -20.314 3.966 1.00 0.00 O ATOM 1262 OE2 GLU A 81 1.798 -21.360 2.306 1.00 0.00 O ATOM 0 H GLU A 81 2.328 -16.004 3.182 1.00 0.00 H new ATOM 0 HA GLU A 81 3.127 -18.705 2.422 1.00 0.00 H new ATOM 0 HB2 GLU A 81 0.839 -17.863 3.364 1.00 0.00 H new ATOM 0 HB3 GLU A 81 0.541 -17.203 1.768 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -0.452 -19.405 1.766 1.00 0.00 H new ATOM 0 HG3 GLU A 81 1.014 -19.542 0.815 1.00 0.00 H new ATOM 1269 N ALA A 82 2.953 -16.405 0.111 1.00 0.00 N ATOM 1270 CA ALA A 82 3.144 -16.260 -1.366 1.00 0.00 C ATOM 1271 C ALA A 82 4.565 -16.662 -1.755 1.00 0.00 C ATOM 1272 O ALA A 82 4.804 -17.237 -2.796 1.00 0.00 O ATOM 1273 CB ALA A 82 2.894 -14.812 -1.795 1.00 0.00 C ATOM 0 H ALA A 82 2.905 -15.538 0.647 1.00 0.00 H new ATOM 0 HA ALA A 82 2.431 -16.913 -1.870 1.00 0.00 H new ATOM 0 HB1 ALA A 82 3.037 -14.722 -2.872 1.00 0.00 H new ATOM 0 HB2 ALA A 82 1.873 -14.528 -1.539 1.00 0.00 H new ATOM 0 HB3 ALA A 82 3.594 -14.154 -1.280 1.00 0.00 H new ATOM 1279 N GLU A 83 5.520 -16.317 -0.925 1.00 0.00 N ATOM 1280 CA GLU A 83 6.935 -16.636 -1.252 1.00 0.00 C ATOM 1281 C GLU A 83 7.175 -18.128 -1.064 1.00 0.00 C ATOM 1282 O GLU A 83 7.954 -18.731 -1.775 1.00 0.00 O ATOM 1283 CB GLU A 83 7.884 -15.826 -0.365 1.00 0.00 C ATOM 1284 CG GLU A 83 7.521 -14.340 -0.445 1.00 0.00 C ATOM 1285 CD GLU A 83 7.644 -13.854 -1.890 1.00 0.00 C ATOM 1286 OE1 GLU A 83 6.726 -14.095 -2.657 1.00 0.00 O ATOM 1287 OE2 GLU A 83 8.651 -13.245 -2.204 1.00 0.00 O ATOM 0 H GLU A 83 5.376 -15.830 -0.040 1.00 0.00 H new ATOM 0 HA GLU A 83 7.131 -16.370 -2.291 1.00 0.00 H new ATOM 0 HB2 GLU A 83 7.817 -16.172 0.667 1.00 0.00 H new ATOM 0 HB3 GLU A 83 8.915 -15.977 -0.686 1.00 0.00 H new ATOM 0 HG2 GLU A 83 6.504 -14.185 -0.085 1.00 0.00 H new ATOM 0 HG3 GLU A 83 8.180 -13.760 0.201 1.00 0.00 H new ATOM 1294 N THR A 84 6.497 -18.745 -0.137 1.00 0.00 N ATOM 1295 CA THR A 84 6.687 -20.207 0.042 1.00 0.00 C ATOM 1296 C THR A 84 6.339 -20.885 -1.292 1.00 0.00 C ATOM 1297 O THR A 84 7.080 -21.701 -1.803 1.00 0.00 O ATOM 1298 CB THR A 84 5.750 -20.699 1.175 1.00 0.00 C ATOM 1299 OG1 THR A 84 5.177 -19.571 1.817 1.00 0.00 O ATOM 1300 CG2 THR A 84 6.532 -21.516 2.213 1.00 0.00 C ATOM 0 H THR A 84 5.829 -18.306 0.496 1.00 0.00 H new ATOM 0 HA THR A 84 7.713 -20.449 0.318 1.00 0.00 H new ATOM 0 HB THR A 84 4.976 -21.332 0.741 1.00 0.00 H new ATOM 0 HG1 THR A 84 5.890 -18.976 2.130 1.00 0.00 H new ATOM 0 HG21 THR A 84 5.854 -21.851 2.998 1.00 0.00 H new ATOM 0 HG22 THR A 84 6.983 -22.382 1.729 1.00 0.00 H new ATOM 0 HG23 THR A 84 7.315 -20.896 2.649 1.00 0.00 H new ATOM 1308 N ARG A 85 5.199 -20.546 -1.843 1.00 0.00 N ATOM 1309 CA ARG A 85 4.753 -21.148 -3.135 1.00 0.00 C ATOM 1310 C ARG A 85 5.928 -21.292 -4.104 1.00 0.00 C ATOM 1311 O ARG A 85 5.966 -22.217 -4.891 1.00 0.00 O ATOM 1312 CB ARG A 85 3.678 -20.242 -3.763 1.00 0.00 C ATOM 1313 CG ARG A 85 3.417 -20.638 -5.236 1.00 0.00 C ATOM 1314 CD ARG A 85 4.469 -20.020 -6.198 1.00 0.00 C ATOM 1315 NE ARG A 85 3.763 -19.424 -7.368 1.00 0.00 N ATOM 1316 CZ ARG A 85 4.402 -18.629 -8.181 1.00 0.00 C ATOM 1317 NH1 ARG A 85 5.662 -18.362 -7.975 1.00 0.00 N ATOM 1318 NH2 ARG A 85 3.783 -18.104 -9.202 1.00 0.00 N ATOM 0 H ARG A 85 4.550 -19.867 -1.445 1.00 0.00 H new ATOM 0 HA ARG A 85 4.346 -22.140 -2.940 1.00 0.00 H new ATOM 0 HB2 ARG A 85 2.753 -20.318 -3.192 1.00 0.00 H new ATOM 0 HB3 ARG A 85 3.999 -19.201 -3.713 1.00 0.00 H new ATOM 0 HG2 ARG A 85 3.435 -21.724 -5.328 1.00 0.00 H new ATOM 0 HG3 ARG A 85 2.420 -20.309 -5.529 1.00 0.00 H new ATOM 0 HD2 ARG A 85 5.051 -19.257 -5.680 1.00 0.00 H new ATOM 0 HD3 ARG A 85 5.171 -20.785 -6.531 1.00 0.00 H new ATOM 0 HE ARG A 85 2.779 -19.638 -7.533 1.00 0.00 H new ATOM 0 HH11 ARG A 85 6.147 -18.775 -7.178 1.00 0.00 H new ATOM 0 HH12 ARG A 85 6.162 -17.740 -8.611 1.00 0.00 H new ATOM 0 HH21 ARG A 85 2.798 -18.315 -9.365 1.00 0.00 H new ATOM 0 HH22 ARG A 85 4.283 -17.482 -9.837 1.00 0.00 H new ATOM 1332 N GLY A 86 6.887 -20.396 -4.063 1.00 0.00 N ATOM 1333 CA GLY A 86 8.060 -20.491 -4.997 1.00 0.00 C ATOM 1334 C GLY A 86 8.057 -19.280 -5.938 1.00 0.00 C ATOM 1335 O GLY A 86 8.019 -19.418 -7.145 1.00 0.00 O ATOM 0 H GLY A 86 6.910 -19.602 -3.423 1.00 0.00 H new ATOM 0 HA2 GLY A 86 8.990 -20.523 -4.429 1.00 0.00 H new ATOM 0 HA3 GLY A 86 8.007 -21.414 -5.574 1.00 0.00 H new ATOM 1339 N ILE A 87 8.091 -18.093 -5.392 1.00 0.00 N ATOM 1340 CA ILE A 87 8.084 -16.866 -6.243 1.00 0.00 C ATOM 1341 C ILE A 87 9.346 -16.829 -7.121 1.00 0.00 C ATOM 1342 O ILE A 87 9.832 -17.849 -7.565 1.00 0.00 O ATOM 1343 CB ILE A 87 8.006 -15.628 -5.314 1.00 0.00 C ATOM 1344 CG1 ILE A 87 7.396 -14.425 -6.078 1.00 0.00 C ATOM 1345 CG2 ILE A 87 9.401 -15.254 -4.743 1.00 0.00 C ATOM 1346 CD1 ILE A 87 5.862 -14.478 -6.019 1.00 0.00 C ATOM 0 H ILE A 87 8.124 -17.920 -4.387 1.00 0.00 H new ATOM 0 HA ILE A 87 7.221 -16.867 -6.909 1.00 0.00 H new ATOM 0 HB ILE A 87 7.361 -15.881 -4.472 1.00 0.00 H new ATOM 0 HG12 ILE A 87 7.751 -13.491 -5.643 1.00 0.00 H new ATOM 0 HG13 ILE A 87 7.727 -14.439 -7.116 1.00 0.00 H new ATOM 0 HG21 ILE A 87 9.307 -14.382 -4.096 1.00 0.00 H new ATOM 0 HG22 ILE A 87 9.795 -16.092 -4.168 1.00 0.00 H new ATOM 0 HG23 ILE A 87 10.081 -15.026 -5.564 1.00 0.00 H new ATOM 0 HD11 ILE A 87 5.447 -13.627 -6.560 1.00 0.00 H new ATOM 0 HD12 ILE A 87 5.512 -15.404 -6.476 1.00 0.00 H new ATOM 0 HD13 ILE A 87 5.536 -14.441 -4.979 1.00 0.00 H new ATOM 1358 N THR A 88 9.860 -15.656 -7.370 1.00 0.00 N ATOM 1359 CA THR A 88 11.088 -15.526 -8.211 1.00 0.00 C ATOM 1360 C THR A 88 12.252 -16.196 -7.478 1.00 0.00 C ATOM 1361 O THR A 88 13.257 -15.576 -7.189 1.00 0.00 O ATOM 1362 CB THR A 88 11.405 -14.043 -8.430 1.00 0.00 C ATOM 1363 OG1 THR A 88 11.212 -13.336 -7.213 1.00 0.00 O ATOM 1364 CG2 THR A 88 10.480 -13.471 -9.506 1.00 0.00 C ATOM 0 H THR A 88 9.480 -14.774 -7.025 1.00 0.00 H new ATOM 0 HA THR A 88 10.931 -16.003 -9.179 1.00 0.00 H new ATOM 0 HB THR A 88 12.440 -13.938 -8.754 1.00 0.00 H new ATOM 0 HG1 THR A 88 11.416 -12.387 -7.350 1.00 0.00 H new ATOM 0 HG21 THR A 88 10.708 -12.416 -9.659 1.00 0.00 H new ATOM 0 HG22 THR A 88 10.629 -14.014 -10.440 1.00 0.00 H new ATOM 0 HG23 THR A 88 9.443 -13.575 -9.187 1.00 0.00 H new ATOM 1372 N SER A 89 12.110 -17.456 -7.155 1.00 0.00 N ATOM 1373 CA SER A 89 13.183 -18.183 -6.412 1.00 0.00 C ATOM 1374 C SER A 89 13.675 -17.300 -5.263 1.00 0.00 C ATOM 1375 O SER A 89 14.729 -17.518 -4.707 1.00 0.00 O ATOM 1376 CB SER A 89 14.339 -18.532 -7.350 1.00 0.00 C ATOM 1377 OG SER A 89 15.314 -19.279 -6.635 1.00 0.00 O ATOM 0 H SER A 89 11.288 -18.018 -7.377 1.00 0.00 H new ATOM 0 HA SER A 89 12.783 -19.114 -6.011 1.00 0.00 H new ATOM 0 HB2 SER A 89 13.972 -19.109 -8.199 1.00 0.00 H new ATOM 0 HB3 SER A 89 14.784 -17.622 -7.752 1.00 0.00 H new ATOM 0 HG SER A 89 15.479 -18.855 -5.767 1.00 0.00 H new ATOM 1383 N TYR A 90 12.883 -16.313 -4.920 1.00 0.00 N ATOM 1384 CA TYR A 90 13.206 -15.362 -3.810 1.00 0.00 C ATOM 1385 C TYR A 90 14.656 -14.859 -3.880 1.00 0.00 C ATOM 1386 O TYR A 90 15.607 -15.611 -3.830 1.00 0.00 O ATOM 1387 CB TYR A 90 12.944 -16.023 -2.453 1.00 0.00 C ATOM 1388 CG TYR A 90 13.558 -17.402 -2.408 1.00 0.00 C ATOM 1389 CD1 TYR A 90 14.880 -17.564 -1.975 1.00 0.00 C ATOM 1390 CD2 TYR A 90 12.808 -18.517 -2.798 1.00 0.00 C ATOM 1391 CE1 TYR A 90 15.451 -18.841 -1.932 1.00 0.00 C ATOM 1392 CE2 TYR A 90 13.379 -19.795 -2.756 1.00 0.00 C ATOM 1393 CZ TYR A 90 14.701 -19.957 -2.323 1.00 0.00 C ATOM 1394 OH TYR A 90 15.264 -21.216 -2.281 1.00 0.00 O ATOM 0 H TYR A 90 11.994 -16.122 -5.381 1.00 0.00 H new ATOM 0 HA TYR A 90 12.554 -14.496 -3.926 1.00 0.00 H new ATOM 0 HB2 TYR A 90 13.360 -15.407 -1.656 1.00 0.00 H new ATOM 0 HB3 TYR A 90 11.871 -16.091 -2.276 1.00 0.00 H new ATOM 0 HD1 TYR A 90 15.459 -16.703 -1.674 1.00 0.00 H new ATOM 0 HD2 TYR A 90 11.788 -18.392 -3.132 1.00 0.00 H new ATOM 0 HE1 TYR A 90 16.470 -18.966 -1.597 1.00 0.00 H new ATOM 0 HE2 TYR A 90 12.800 -20.655 -3.057 1.00 0.00 H new ATOM 0 HH TYR A 90 14.608 -21.878 -2.584 1.00 0.00 H new ATOM 1404 N ASN A 91 14.816 -13.565 -3.981 1.00 0.00 N ATOM 1405 CA ASN A 91 16.176 -12.954 -4.048 1.00 0.00 C ATOM 1406 C ASN A 91 16.241 -11.709 -3.110 1.00 0.00 C ATOM 1407 O ASN A 91 16.947 -11.753 -2.123 1.00 0.00 O ATOM 1408 CB ASN A 91 16.494 -12.617 -5.530 1.00 0.00 C ATOM 1409 CG ASN A 91 17.480 -11.443 -5.626 1.00 0.00 C ATOM 1410 OD1 ASN A 91 18.257 -11.211 -4.721 1.00 0.00 O ATOM 1411 ND2 ASN A 91 17.477 -10.689 -6.691 1.00 0.00 N ATOM 0 H ASN A 91 14.048 -12.895 -4.020 1.00 0.00 H new ATOM 0 HA ASN A 91 16.938 -13.648 -3.694 1.00 0.00 H new ATOM 0 HB2 ASN A 91 16.916 -13.493 -6.024 1.00 0.00 H new ATOM 0 HB3 ASN A 91 15.573 -12.367 -6.056 1.00 0.00 H new ATOM 0 HD21 ASN A 91 18.126 -9.906 -6.763 1.00 0.00 H new ATOM 0 HD22 ASN A 91 16.825 -10.883 -7.451 1.00 0.00 H new ATOM 1418 N PRO A 92 15.495 -10.640 -3.405 1.00 0.00 N ATOM 1419 CA PRO A 92 15.476 -9.424 -2.541 1.00 0.00 C ATOM 1420 C PRO A 92 14.817 -9.685 -1.182 1.00 0.00 C ATOM 1421 O PRO A 92 15.500 -9.647 -0.181 1.00 0.00 O ATOM 1422 CB PRO A 92 14.636 -8.405 -3.329 1.00 0.00 C ATOM 1423 CG PRO A 92 13.831 -9.218 -4.364 1.00 0.00 C ATOM 1424 CD PRO A 92 14.618 -10.514 -4.600 1.00 0.00 C ATOM 0 HA PRO A 92 16.489 -9.085 -2.326 1.00 0.00 H new ATOM 0 HB2 PRO A 92 13.971 -7.853 -2.665 1.00 0.00 H new ATOM 0 HB3 PRO A 92 15.275 -7.672 -3.822 1.00 0.00 H new ATOM 0 HG2 PRO A 92 12.829 -9.434 -3.994 1.00 0.00 H new ATOM 0 HG3 PRO A 92 13.715 -8.659 -5.293 1.00 0.00 H new ATOM 0 HD2 PRO A 92 13.952 -11.371 -4.695 1.00 0.00 H new ATOM 0 HD3 PRO A 92 15.203 -10.461 -5.518 1.00 0.00 H new ATOM 1432 N LEU A 93 13.500 -9.866 -1.142 1.00 0.00 N ATOM 1433 CA LEU A 93 12.743 -10.054 0.161 1.00 0.00 C ATOM 1434 C LEU A 93 13.717 -10.326 1.282 1.00 0.00 C ATOM 1435 O LEU A 93 13.750 -9.607 2.237 1.00 0.00 O ATOM 1436 CB LEU A 93 11.690 -11.185 0.058 1.00 0.00 C ATOM 1437 CG LEU A 93 11.821 -11.932 -1.288 1.00 0.00 C ATOM 1438 CD1 LEU A 93 11.353 -13.377 -1.113 1.00 0.00 C ATOM 1439 CD2 LEU A 93 10.956 -11.238 -2.344 1.00 0.00 C ATOM 0 H LEU A 93 12.909 -9.892 -1.973 1.00 0.00 H new ATOM 0 HA LEU A 93 12.200 -9.133 0.374 1.00 0.00 H new ATOM 0 HB2 LEU A 93 11.820 -11.886 0.883 1.00 0.00 H new ATOM 0 HB3 LEU A 93 10.688 -10.766 0.151 1.00 0.00 H new ATOM 0 HG LEU A 93 12.862 -11.923 -1.611 1.00 0.00 H new ATOM 0 HD11 LEU A 93 11.444 -13.906 -2.061 1.00 0.00 H new ATOM 0 HD12 LEU A 93 11.969 -13.870 -0.361 1.00 0.00 H new ATOM 0 HD13 LEU A 93 10.312 -13.386 -0.791 1.00 0.00 H new ATOM 0 HD21 LEU A 93 11.048 -11.765 -3.294 1.00 0.00 H new ATOM 0 HD22 LEU A 93 9.914 -11.247 -2.024 1.00 0.00 H new ATOM 0 HD23 LEU A 93 11.289 -10.207 -2.467 1.00 0.00 H new ATOM 1451 N ALA A 94 14.500 -11.358 1.116 1.00 0.00 N ATOM 1452 CA ALA A 94 15.552 -11.749 2.122 1.00 0.00 C ATOM 1453 C ALA A 94 15.753 -10.610 3.138 1.00 0.00 C ATOM 1454 O ALA A 94 15.591 -10.779 4.330 1.00 0.00 O ATOM 1455 CB ALA A 94 16.848 -11.995 1.356 1.00 0.00 C ATOM 0 H ALA A 94 14.458 -11.970 0.301 1.00 0.00 H new ATOM 0 HA ALA A 94 15.251 -12.644 2.666 1.00 0.00 H new ATOM 0 HB1 ALA A 94 17.635 -12.281 2.054 1.00 0.00 H new ATOM 0 HB2 ALA A 94 16.696 -12.796 0.632 1.00 0.00 H new ATOM 0 HB3 ALA A 94 17.140 -11.084 0.833 1.00 0.00 H new ATOM 1461 N GLY A 95 16.060 -9.436 2.641 1.00 0.00 N ATOM 1462 CA GLY A 95 16.225 -8.238 3.531 1.00 0.00 C ATOM 1463 C GLY A 95 14.837 -7.840 4.077 1.00 0.00 C ATOM 1464 O GLY A 95 13.969 -8.677 4.178 1.00 0.00 O ATOM 0 H GLY A 95 16.205 -9.253 1.648 1.00 0.00 H new ATOM 0 HA2 GLY A 95 16.904 -8.467 4.352 1.00 0.00 H new ATOM 0 HA3 GLY A 95 16.665 -7.410 2.975 1.00 0.00 H new ATOM 1468 N PRO A 96 14.636 -6.586 4.436 1.00 0.00 N ATOM 1469 CA PRO A 96 13.313 -6.163 4.950 1.00 0.00 C ATOM 1470 C PRO A 96 12.346 -6.029 3.746 1.00 0.00 C ATOM 1471 O PRO A 96 12.784 -6.104 2.616 1.00 0.00 O ATOM 1472 CB PRO A 96 13.586 -4.801 5.619 1.00 0.00 C ATOM 1473 CG PRO A 96 15.035 -4.374 5.216 1.00 0.00 C ATOM 1474 CD PRO A 96 15.669 -5.546 4.424 1.00 0.00 C ATOM 0 HA PRO A 96 12.858 -6.860 5.653 1.00 0.00 H new ATOM 0 HB2 PRO A 96 12.860 -4.058 5.290 1.00 0.00 H new ATOM 0 HB3 PRO A 96 13.494 -4.879 6.702 1.00 0.00 H new ATOM 0 HG2 PRO A 96 15.012 -3.470 4.608 1.00 0.00 H new ATOM 0 HG3 PRO A 96 15.627 -4.147 6.102 1.00 0.00 H new ATOM 0 HD2 PRO A 96 15.923 -5.248 3.407 1.00 0.00 H new ATOM 0 HD3 PRO A 96 16.589 -5.893 4.894 1.00 0.00 H new ATOM 1482 N LEU A 97 11.058 -5.817 3.929 1.00 0.00 N ATOM 1483 CA LEU A 97 10.170 -5.673 2.721 1.00 0.00 C ATOM 1484 C LEU A 97 10.342 -4.257 2.135 1.00 0.00 C ATOM 1485 O LEU A 97 10.655 -4.095 0.965 1.00 0.00 O ATOM 1486 CB LEU A 97 8.707 -5.906 3.116 1.00 0.00 C ATOM 1487 CG LEU A 97 8.439 -7.405 3.277 1.00 0.00 C ATOM 1488 CD1 LEU A 97 9.483 -8.022 4.212 1.00 0.00 C ATOM 1489 CD2 LEU A 97 7.043 -7.607 3.870 1.00 0.00 C ATOM 0 H LEU A 97 10.593 -5.739 4.834 1.00 0.00 H new ATOM 0 HA LEU A 97 10.449 -6.413 1.971 1.00 0.00 H new ATOM 0 HB2 LEU A 97 8.487 -5.387 4.049 1.00 0.00 H new ATOM 0 HB3 LEU A 97 8.046 -5.490 2.356 1.00 0.00 H new ATOM 0 HG LEU A 97 8.500 -7.890 2.302 1.00 0.00 H new ATOM 0 HD11 LEU A 97 9.287 -9.089 4.323 1.00 0.00 H new ATOM 0 HD12 LEU A 97 10.478 -7.877 3.792 1.00 0.00 H new ATOM 0 HD13 LEU A 97 9.428 -7.540 5.188 1.00 0.00 H new ATOM 0 HD21 LEU A 97 6.848 -8.673 3.986 1.00 0.00 H new ATOM 0 HD22 LEU A 97 6.987 -7.119 4.843 1.00 0.00 H new ATOM 0 HD23 LEU A 97 6.298 -7.173 3.203 1.00 0.00 H new ATOM 1501 N ARG A 98 10.099 -3.231 2.925 1.00 0.00 N ATOM 1502 CA ARG A 98 10.234 -1.816 2.426 1.00 0.00 C ATOM 1503 C ARG A 98 11.462 -1.704 1.508 1.00 0.00 C ATOM 1504 O ARG A 98 11.566 -0.839 0.665 1.00 0.00 O ATOM 1505 CB ARG A 98 10.439 -0.891 3.629 1.00 0.00 C ATOM 1506 CG ARG A 98 9.143 -0.803 4.436 1.00 0.00 C ATOM 1507 CD ARG A 98 9.409 -0.064 5.748 1.00 0.00 C ATOM 1508 NE ARG A 98 10.500 -0.752 6.493 1.00 0.00 N ATOM 1509 CZ ARG A 98 11.101 -0.145 7.479 1.00 0.00 C ATOM 1510 NH1 ARG A 98 10.747 1.067 7.812 1.00 0.00 N ATOM 1511 NH2 ARG A 98 12.056 -0.748 8.132 1.00 0.00 N ATOM 0 H ARG A 98 9.811 -3.313 3.900 1.00 0.00 H new ATOM 0 HA ARG A 98 9.337 -1.537 1.873 1.00 0.00 H new ATOM 0 HB2 ARG A 98 11.246 -1.269 4.257 1.00 0.00 H new ATOM 0 HB3 ARG A 98 10.737 0.102 3.291 1.00 0.00 H new ATOM 0 HG2 ARG A 98 8.378 -0.281 3.861 1.00 0.00 H new ATOM 0 HG3 ARG A 98 8.761 -1.803 4.640 1.00 0.00 H new ATOM 0 HD2 ARG A 98 9.688 0.970 5.545 1.00 0.00 H new ATOM 0 HD3 ARG A 98 8.502 -0.036 6.353 1.00 0.00 H new ATOM 0 HE ARG A 98 10.777 -1.698 6.232 1.00 0.00 H new ATOM 0 HH11 ARG A 98 10.001 1.539 7.301 1.00 0.00 H new ATOM 0 HH12 ARG A 98 11.217 1.542 8.583 1.00 0.00 H new ATOM 0 HH21 ARG A 98 12.333 -1.694 7.872 1.00 0.00 H new ATOM 0 HH22 ARG A 98 12.526 -0.273 8.903 1.00 0.00 H new ATOM 1525 N VAL A 99 12.369 -2.621 1.682 1.00 0.00 N ATOM 1526 CA VAL A 99 13.603 -2.664 0.849 1.00 0.00 C ATOM 1527 C VAL A 99 13.244 -3.284 -0.511 1.00 0.00 C ATOM 1528 O VAL A 99 13.667 -2.814 -1.548 1.00 0.00 O ATOM 1529 CB VAL A 99 14.685 -3.491 1.603 1.00 0.00 C ATOM 1530 CG1 VAL A 99 15.450 -4.424 0.649 1.00 0.00 C ATOM 1531 CG2 VAL A 99 15.691 -2.532 2.262 1.00 0.00 C ATOM 0 H VAL A 99 12.306 -3.360 2.382 1.00 0.00 H new ATOM 0 HA VAL A 99 14.007 -1.667 0.674 1.00 0.00 H new ATOM 0 HB VAL A 99 14.179 -4.099 2.353 1.00 0.00 H new ATOM 0 HG11 VAL A 99 16.197 -4.985 1.210 1.00 0.00 H new ATOM 0 HG12 VAL A 99 14.752 -5.117 0.180 1.00 0.00 H new ATOM 0 HG13 VAL A 99 15.944 -3.831 -0.121 1.00 0.00 H new ATOM 0 HG21 VAL A 99 16.450 -3.108 2.791 1.00 0.00 H new ATOM 0 HG22 VAL A 99 16.168 -1.922 1.495 1.00 0.00 H new ATOM 0 HG23 VAL A 99 15.169 -1.886 2.968 1.00 0.00 H new ATOM 1541 N GLN A 100 12.466 -4.328 -0.507 1.00 0.00 N ATOM 1542 CA GLN A 100 12.067 -4.978 -1.790 1.00 0.00 C ATOM 1543 C GLN A 100 11.675 -3.926 -2.822 1.00 0.00 C ATOM 1544 O GLN A 100 12.197 -3.898 -3.919 1.00 0.00 O ATOM 1545 CB GLN A 100 10.856 -5.882 -1.552 1.00 0.00 C ATOM 1546 CG GLN A 100 11.303 -7.140 -0.832 1.00 0.00 C ATOM 1547 CD GLN A 100 10.098 -8.044 -0.570 1.00 0.00 C ATOM 1548 OE1 GLN A 100 9.891 -8.493 0.538 1.00 0.00 O ATOM 1549 NE2 GLN A 100 9.294 -8.338 -1.553 1.00 0.00 N ATOM 0 H GLN A 100 12.086 -4.763 0.333 1.00 0.00 H new ATOM 0 HA GLN A 100 12.914 -5.557 -2.157 1.00 0.00 H new ATOM 0 HB2 GLN A 100 10.107 -5.357 -0.960 1.00 0.00 H new ATOM 0 HB3 GLN A 100 10.388 -6.140 -2.502 1.00 0.00 H new ATOM 0 HG2 GLN A 100 12.043 -7.670 -1.432 1.00 0.00 H new ATOM 0 HG3 GLN A 100 11.785 -6.879 0.110 1.00 0.00 H new ATOM 0 HE21 GLN A 100 9.468 -7.961 -2.484 1.00 0.00 H new ATOM 0 HE22 GLN A 100 8.491 -8.945 -1.391 1.00 0.00 H new ATOM 1558 N ALA A 101 10.732 -3.081 -2.497 1.00 0.00 N ATOM 1559 CA ALA A 101 10.286 -2.057 -3.502 1.00 0.00 C ATOM 1560 C ALA A 101 11.158 -0.801 -3.420 1.00 0.00 C ATOM 1561 O ALA A 101 11.375 -0.137 -4.414 1.00 0.00 O ATOM 1562 CB ALA A 101 8.813 -1.706 -3.279 1.00 0.00 C ATOM 0 H ALA A 101 10.255 -3.050 -1.596 1.00 0.00 H new ATOM 0 HA ALA A 101 10.396 -2.480 -4.500 1.00 0.00 H new ATOM 0 HB1 ALA A 101 8.501 -0.963 -4.013 1.00 0.00 H new ATOM 0 HB2 ALA A 101 8.204 -2.603 -3.390 1.00 0.00 H new ATOM 0 HB3 ALA A 101 8.683 -1.301 -2.275 1.00 0.00 H new ATOM 1568 N ASN A 102 11.684 -0.469 -2.281 1.00 0.00 N ATOM 1569 CA ASN A 102 12.554 0.738 -2.220 1.00 0.00 C ATOM 1570 C ASN A 102 13.901 0.392 -2.863 1.00 0.00 C ATOM 1571 O ASN A 102 14.945 0.808 -2.402 1.00 0.00 O ATOM 1572 CB ASN A 102 12.772 1.157 -0.765 1.00 0.00 C ATOM 1573 CG ASN A 102 13.547 2.475 -0.725 1.00 0.00 C ATOM 1574 OD1 ASN A 102 13.020 3.514 -1.072 1.00 0.00 O ATOM 1575 ND2 ASN A 102 14.786 2.478 -0.314 1.00 0.00 N ATOM 0 H ASN A 102 11.555 -0.969 -1.401 1.00 0.00 H new ATOM 0 HA ASN A 102 12.080 1.564 -2.751 1.00 0.00 H new ATOM 0 HB2 ASN A 102 11.813 1.271 -0.261 1.00 0.00 H new ATOM 0 HB3 ASN A 102 13.323 0.383 -0.231 1.00 0.00 H new ATOM 0 HD21 ASN A 102 15.311 3.352 -0.284 1.00 0.00 H new ATOM 0 HD22 ASN A 102 15.229 1.607 -0.023 1.00 0.00 H new ATOM 1582 N ASN A 103 13.880 -0.385 -3.925 1.00 0.00 N ATOM 1583 CA ASN A 103 15.151 -0.789 -4.608 1.00 0.00 C ATOM 1584 C ASN A 103 14.990 -0.630 -6.136 1.00 0.00 C ATOM 1585 O ASN A 103 14.497 -1.535 -6.780 1.00 0.00 O ATOM 1586 CB ASN A 103 15.425 -2.266 -4.297 1.00 0.00 C ATOM 1587 CG ASN A 103 15.974 -2.404 -2.875 1.00 0.00 C ATOM 1588 OD1 ASN A 103 16.356 -3.481 -2.463 1.00 0.00 O ATOM 1589 ND2 ASN A 103 16.034 -1.352 -2.105 1.00 0.00 N ATOM 0 H ASN A 103 13.030 -0.758 -4.349 1.00 0.00 H new ATOM 0 HA ASN A 103 15.972 -0.163 -4.257 1.00 0.00 H new ATOM 0 HB2 ASN A 103 14.507 -2.845 -4.400 1.00 0.00 H new ATOM 0 HB3 ASN A 103 16.140 -2.671 -5.013 1.00 0.00 H new ATOM 0 HD21 ASN A 103 16.402 -1.434 -1.157 1.00 0.00 H new ATOM 0 HD22 ASN A 103 15.713 -0.448 -2.451 1.00 0.00 H new ATOM 1596 N PRO A 104 15.399 0.499 -6.693 1.00 0.00 N ATOM 1597 CA PRO A 104 15.274 0.719 -8.149 1.00 0.00 C ATOM 1598 C PRO A 104 16.040 -0.367 -8.919 1.00 0.00 C ATOM 1599 O PRO A 104 15.699 -0.702 -10.036 1.00 0.00 O ATOM 1600 CB PRO A 104 15.870 2.126 -8.393 1.00 0.00 C ATOM 1601 CG PRO A 104 16.178 2.746 -7.000 1.00 0.00 C ATOM 1602 CD PRO A 104 16.004 1.628 -5.950 1.00 0.00 C ATOM 0 HA PRO A 104 14.242 0.662 -8.496 1.00 0.00 H new ATOM 0 HB2 PRO A 104 16.777 2.060 -8.993 1.00 0.00 H new ATOM 0 HB3 PRO A 104 15.167 2.751 -8.945 1.00 0.00 H new ATOM 0 HG2 PRO A 104 17.192 3.144 -6.973 1.00 0.00 H new ATOM 0 HG3 PRO A 104 15.504 3.577 -6.792 1.00 0.00 H new ATOM 0 HD2 PRO A 104 16.961 1.345 -5.512 1.00 0.00 H new ATOM 0 HD3 PRO A 104 15.362 1.952 -5.131 1.00 0.00 H new ATOM 1610 N GLN A 105 17.067 -0.924 -8.335 1.00 0.00 N ATOM 1611 CA GLN A 105 17.832 -1.986 -9.047 1.00 0.00 C ATOM 1612 C GLN A 105 17.014 -3.280 -9.046 1.00 0.00 C ATOM 1613 O GLN A 105 17.356 -4.246 -9.700 1.00 0.00 O ATOM 1614 CB GLN A 105 19.171 -2.218 -8.341 1.00 0.00 C ATOM 1615 CG GLN A 105 19.968 -0.912 -8.320 1.00 0.00 C ATOM 1616 CD GLN A 105 21.322 -1.148 -7.647 1.00 0.00 C ATOM 1617 OE1 GLN A 105 21.694 -0.432 -6.738 1.00 0.00 O ATOM 1618 NE2 GLN A 105 22.080 -2.127 -8.057 1.00 0.00 N ATOM 0 H GLN A 105 17.407 -0.691 -7.402 1.00 0.00 H new ATOM 0 HA GLN A 105 18.022 -1.675 -10.074 1.00 0.00 H new ATOM 0 HB2 GLN A 105 19.002 -2.570 -7.323 1.00 0.00 H new ATOM 0 HB3 GLN A 105 19.737 -2.994 -8.857 1.00 0.00 H new ATOM 0 HG2 GLN A 105 20.114 -0.547 -9.337 1.00 0.00 H new ATOM 0 HG3 GLN A 105 19.412 -0.144 -7.783 1.00 0.00 H new ATOM 0 HE21 GLN A 105 21.768 -2.728 -8.820 1.00 0.00 H new ATOM 0 HE22 GLN A 105 22.984 -2.291 -7.615 1.00 0.00 H new ATOM 1627 N GLN A 106 15.928 -3.299 -8.319 1.00 0.00 N ATOM 1628 CA GLN A 106 15.066 -4.519 -8.268 1.00 0.00 C ATOM 1629 C GLN A 106 13.618 -4.085 -8.030 1.00 0.00 C ATOM 1630 O GLN A 106 13.109 -4.159 -6.928 1.00 0.00 O ATOM 1631 CB GLN A 106 15.525 -5.423 -7.121 1.00 0.00 C ATOM 1632 CG GLN A 106 16.987 -5.822 -7.336 1.00 0.00 C ATOM 1633 CD GLN A 106 17.360 -6.942 -6.364 1.00 0.00 C ATOM 1634 OE1 GLN A 106 17.467 -8.088 -6.751 1.00 0.00 O ATOM 1635 NE2 GLN A 106 17.565 -6.657 -5.107 1.00 0.00 N ATOM 0 H GLN A 106 15.598 -2.517 -7.754 1.00 0.00 H new ATOM 0 HA GLN A 106 15.141 -5.068 -9.207 1.00 0.00 H new ATOM 0 HB2 GLN A 106 15.415 -4.904 -6.169 1.00 0.00 H new ATOM 0 HB3 GLN A 106 14.898 -6.313 -7.073 1.00 0.00 H new ATOM 0 HG2 GLN A 106 17.137 -6.153 -8.364 1.00 0.00 H new ATOM 0 HG3 GLN A 106 17.636 -4.960 -7.181 1.00 0.00 H new ATOM 0 HE21 GLN A 106 17.475 -5.695 -4.781 1.00 0.00 H new ATOM 0 HE22 GLN A 106 17.815 -7.397 -4.451 1.00 0.00 H new ATOM 1644 N GLN A 107 12.956 -3.613 -9.054 1.00 0.00 N ATOM 1645 CA GLN A 107 11.545 -3.147 -8.896 1.00 0.00 C ATOM 1646 C GLN A 107 10.562 -4.283 -9.202 1.00 0.00 C ATOM 1647 O GLN A 107 9.376 -4.137 -9.007 1.00 0.00 O ATOM 1648 CB GLN A 107 11.289 -1.991 -9.864 1.00 0.00 C ATOM 1649 CG GLN A 107 11.758 -2.387 -11.265 1.00 0.00 C ATOM 1650 CD GLN A 107 11.316 -1.325 -12.273 1.00 0.00 C ATOM 1651 OE1 GLN A 107 10.969 -1.642 -13.394 1.00 0.00 O ATOM 1652 NE2 GLN A 107 11.313 -0.069 -11.921 1.00 0.00 N ATOM 0 H GLN A 107 13.333 -3.530 -9.998 1.00 0.00 H new ATOM 0 HA GLN A 107 11.396 -2.821 -7.867 1.00 0.00 H new ATOM 0 HB2 GLN A 107 10.227 -1.744 -9.880 1.00 0.00 H new ATOM 0 HB3 GLN A 107 11.819 -1.099 -9.530 1.00 0.00 H new ATOM 0 HG2 GLN A 107 12.843 -2.489 -11.281 1.00 0.00 H new ATOM 0 HG3 GLN A 107 11.343 -3.357 -11.538 1.00 0.00 H new ATOM 0 HE21 GLN A 107 11.604 0.198 -10.980 1.00 0.00 H new ATOM 0 HE22 GLN A 107 11.020 0.646 -12.586 1.00 0.00 H new ATOM 1661 N GLY A 108 11.029 -5.411 -9.680 1.00 0.00 N ATOM 1662 CA GLY A 108 10.087 -6.539 -9.989 1.00 0.00 C ATOM 1663 C GLY A 108 9.082 -6.684 -8.846 1.00 0.00 C ATOM 1664 O GLY A 108 7.896 -6.477 -9.011 1.00 0.00 O ATOM 0 H GLY A 108 12.013 -5.601 -9.869 1.00 0.00 H new ATOM 0 HA2 GLY A 108 9.565 -6.346 -10.926 1.00 0.00 H new ATOM 0 HA3 GLY A 108 10.643 -7.467 -10.120 1.00 0.00 H new ATOM 1668 N LEU A 109 9.573 -7.000 -7.684 1.00 0.00 N ATOM 1669 CA LEU A 109 8.678 -7.115 -6.502 1.00 0.00 C ATOM 1670 C LEU A 109 7.737 -5.903 -6.484 1.00 0.00 C ATOM 1671 O LEU A 109 6.542 -6.058 -6.331 1.00 0.00 O ATOM 1672 CB LEU A 109 9.517 -7.172 -5.223 1.00 0.00 C ATOM 1673 CG LEU A 109 10.035 -8.602 -5.007 1.00 0.00 C ATOM 1674 CD1 LEU A 109 8.874 -9.563 -4.663 1.00 0.00 C ATOM 1675 CD2 LEU A 109 10.752 -9.085 -6.274 1.00 0.00 C ATOM 0 H LEU A 109 10.559 -7.184 -7.500 1.00 0.00 H new ATOM 0 HA LEU A 109 8.087 -8.029 -6.560 1.00 0.00 H new ATOM 0 HB2 LEU A 109 10.355 -6.478 -5.295 1.00 0.00 H new ATOM 0 HB3 LEU A 109 8.917 -6.859 -4.369 1.00 0.00 H new ATOM 0 HG LEU A 109 10.733 -8.596 -4.170 1.00 0.00 H new ATOM 0 HD11 LEU A 109 9.266 -10.569 -4.515 1.00 0.00 H new ATOM 0 HD12 LEU A 109 8.382 -9.227 -3.750 1.00 0.00 H new ATOM 0 HD13 LEU A 109 8.154 -9.571 -5.481 1.00 0.00 H new ATOM 0 HD21 LEU A 109 11.119 -10.100 -6.120 1.00 0.00 H new ATOM 0 HD22 LEU A 109 10.056 -9.075 -7.113 1.00 0.00 H new ATOM 0 HD23 LEU A 109 11.591 -8.424 -6.491 1.00 0.00 H new ATOM 1687 N ARG A 110 8.256 -4.705 -6.629 1.00 0.00 N ATOM 1688 CA ARG A 110 7.367 -3.491 -6.615 1.00 0.00 C ATOM 1689 C ARG A 110 6.079 -3.781 -7.396 1.00 0.00 C ATOM 1690 O ARG A 110 5.005 -3.376 -7.000 1.00 0.00 O ATOM 1691 CB ARG A 110 8.088 -2.291 -7.242 1.00 0.00 C ATOM 1692 CG ARG A 110 7.374 -0.996 -6.843 1.00 0.00 C ATOM 1693 CD ARG A 110 8.063 0.193 -7.515 1.00 0.00 C ATOM 1694 NE ARG A 110 9.532 0.120 -7.275 1.00 0.00 N ATOM 1695 CZ ARG A 110 10.348 0.844 -7.992 1.00 0.00 C ATOM 1696 NH1 ARG A 110 9.877 1.628 -8.923 1.00 0.00 N ATOM 1697 NH2 ARG A 110 11.634 0.783 -7.780 1.00 0.00 N ATOM 0 H ARG A 110 9.250 -4.513 -6.756 1.00 0.00 H new ATOM 0 HA ARG A 110 7.120 -3.253 -5.580 1.00 0.00 H new ATOM 0 HB2 ARG A 110 9.126 -2.263 -6.910 1.00 0.00 H new ATOM 0 HB3 ARG A 110 8.104 -2.390 -8.327 1.00 0.00 H new ATOM 0 HG2 ARG A 110 6.326 -1.039 -7.141 1.00 0.00 H new ATOM 0 HG3 ARG A 110 7.393 -0.876 -5.760 1.00 0.00 H new ATOM 0 HD2 ARG A 110 7.858 0.187 -8.586 1.00 0.00 H new ATOM 0 HD3 ARG A 110 7.666 1.128 -7.119 1.00 0.00 H new ATOM 0 HE ARG A 110 9.900 -0.496 -6.550 1.00 0.00 H new ATOM 0 HH11 ARG A 110 8.872 1.675 -9.090 1.00 0.00 H new ATOM 0 HH12 ARG A 110 10.514 2.194 -9.484 1.00 0.00 H new ATOM 0 HH21 ARG A 110 12.003 0.169 -7.054 1.00 0.00 H new ATOM 0 HH22 ARG A 110 12.271 1.349 -8.341 1.00 0.00 H new ATOM 1711 N ARG A 111 6.164 -4.508 -8.478 1.00 0.00 N ATOM 1712 CA ARG A 111 4.919 -4.845 -9.235 1.00 0.00 C ATOM 1713 C ARG A 111 4.302 -6.100 -8.610 1.00 0.00 C ATOM 1714 O ARG A 111 3.095 -6.221 -8.539 1.00 0.00 O ATOM 1715 CB ARG A 111 5.213 -5.078 -10.725 1.00 0.00 C ATOM 1716 CG ARG A 111 6.001 -3.879 -11.326 1.00 0.00 C ATOM 1717 CD ARG A 111 7.442 -4.296 -11.654 1.00 0.00 C ATOM 1718 NE ARG A 111 7.424 -5.367 -12.690 1.00 0.00 N ATOM 1719 CZ ARG A 111 8.517 -5.672 -13.334 1.00 0.00 C ATOM 1720 NH1 ARG A 111 9.626 -5.036 -13.073 1.00 0.00 N ATOM 1721 NH2 ARG A 111 8.500 -6.612 -14.239 1.00 0.00 N ATOM 0 H ARG A 111 7.030 -4.880 -8.868 1.00 0.00 H new ATOM 0 HA ARG A 111 4.223 -4.009 -9.173 1.00 0.00 H new ATOM 0 HB2 ARG A 111 5.789 -5.996 -10.848 1.00 0.00 H new ATOM 0 HB3 ARG A 111 4.278 -5.213 -11.268 1.00 0.00 H new ATOM 0 HG2 ARG A 111 5.504 -3.525 -12.229 1.00 0.00 H new ATOM 0 HG3 ARG A 111 6.008 -3.049 -10.619 1.00 0.00 H new ATOM 0 HD2 ARG A 111 8.008 -3.437 -12.013 1.00 0.00 H new ATOM 0 HD3 ARG A 111 7.943 -4.654 -10.754 1.00 0.00 H new ATOM 0 HE ARG A 111 6.556 -5.862 -12.896 1.00 0.00 H new ATOM 0 HH11 ARG A 111 9.638 -4.301 -12.366 1.00 0.00 H new ATOM 0 HH12 ARG A 111 10.481 -5.274 -13.576 1.00 0.00 H new ATOM 0 HH21 ARG A 111 7.632 -7.108 -14.443 1.00 0.00 H new ATOM 0 HH22 ARG A 111 9.354 -6.851 -14.743 1.00 0.00 H new ATOM 1735 N GLU A 112 5.089 -7.014 -8.109 1.00 0.00 N ATOM 1736 CA GLU A 112 4.469 -8.201 -7.452 1.00 0.00 C ATOM 1737 C GLU A 112 3.601 -7.668 -6.314 1.00 0.00 C ATOM 1738 O GLU A 112 2.538 -8.176 -6.018 1.00 0.00 O ATOM 1739 CB GLU A 112 5.552 -9.132 -6.892 1.00 0.00 C ATOM 1740 CG GLU A 112 4.950 -10.514 -6.619 1.00 0.00 C ATOM 1741 CD GLU A 112 4.648 -11.212 -7.947 1.00 0.00 C ATOM 1742 OE1 GLU A 112 5.591 -11.580 -8.628 1.00 0.00 O ATOM 1743 OE2 GLU A 112 3.479 -11.366 -8.260 1.00 0.00 O ATOM 0 H GLU A 112 6.109 -6.994 -8.124 1.00 0.00 H new ATOM 0 HA GLU A 112 3.879 -8.775 -8.166 1.00 0.00 H new ATOM 0 HB2 GLU A 112 6.376 -9.216 -7.601 1.00 0.00 H new ATOM 0 HB3 GLU A 112 5.964 -8.716 -5.973 1.00 0.00 H new ATOM 0 HG2 GLU A 112 5.644 -11.114 -6.030 1.00 0.00 H new ATOM 0 HG3 GLU A 112 4.037 -10.415 -6.032 1.00 0.00 H new ATOM 1750 N TYR A 113 4.054 -6.608 -5.706 1.00 0.00 N ATOM 1751 CA TYR A 113 3.264 -5.983 -4.613 1.00 0.00 C ATOM 1752 C TYR A 113 1.906 -5.615 -5.210 1.00 0.00 C ATOM 1753 O TYR A 113 0.888 -6.146 -4.820 1.00 0.00 O ATOM 1754 CB TYR A 113 3.986 -4.728 -4.090 1.00 0.00 C ATOM 1755 CG TYR A 113 4.923 -5.103 -2.960 1.00 0.00 C ATOM 1756 CD1 TYR A 113 5.655 -6.296 -3.021 1.00 0.00 C ATOM 1757 CD2 TYR A 113 5.052 -4.260 -1.849 1.00 0.00 C ATOM 1758 CE1 TYR A 113 6.513 -6.644 -1.975 1.00 0.00 C ATOM 1759 CE2 TYR A 113 5.913 -4.610 -0.802 1.00 0.00 C ATOM 1760 CZ TYR A 113 6.644 -5.802 -0.866 1.00 0.00 C ATOM 1761 OH TYR A 113 7.491 -6.148 0.166 1.00 0.00 O ATOM 0 H TYR A 113 4.939 -6.148 -5.920 1.00 0.00 H new ATOM 0 HA TYR A 113 3.144 -6.664 -3.770 1.00 0.00 H new ATOM 0 HB2 TYR A 113 4.547 -4.258 -4.898 1.00 0.00 H new ATOM 0 HB3 TYR A 113 3.256 -3.997 -3.741 1.00 0.00 H new ATOM 0 HD1 TYR A 113 5.556 -6.947 -3.877 1.00 0.00 H new ATOM 0 HD2 TYR A 113 4.488 -3.341 -1.800 1.00 0.00 H new ATOM 0 HE1 TYR A 113 7.076 -7.564 -2.023 1.00 0.00 H new ATOM 0 HE2 TYR A 113 6.013 -3.960 0.055 1.00 0.00 H new ATOM 0 HH TYR A 113 8.265 -5.547 0.169 1.00 0.00 H new ATOM 1771 N GLN A 114 1.898 -4.703 -6.154 1.00 0.00 N ATOM 1772 CA GLN A 114 0.620 -4.275 -6.812 1.00 0.00 C ATOM 1773 C GLN A 114 -0.310 -5.483 -6.988 1.00 0.00 C ATOM 1774 O GLN A 114 -1.515 -5.347 -7.055 1.00 0.00 O ATOM 1775 CB GLN A 114 0.945 -3.679 -8.197 1.00 0.00 C ATOM 1776 CG GLN A 114 1.286 -2.191 -8.069 1.00 0.00 C ATOM 1777 CD GLN A 114 2.492 -2.011 -7.144 1.00 0.00 C ATOM 1778 OE1 GLN A 114 3.551 -1.606 -7.582 1.00 0.00 O ATOM 1779 NE2 GLN A 114 2.377 -2.291 -5.874 1.00 0.00 N ATOM 0 H GLN A 114 2.733 -4.231 -6.501 1.00 0.00 H new ATOM 0 HA GLN A 114 0.124 -3.530 -6.189 1.00 0.00 H new ATOM 0 HB2 GLN A 114 1.783 -4.214 -8.643 1.00 0.00 H new ATOM 0 HB3 GLN A 114 0.093 -3.808 -8.865 1.00 0.00 H new ATOM 0 HG2 GLN A 114 1.505 -1.773 -9.052 1.00 0.00 H new ATOM 0 HG3 GLN A 114 0.429 -1.645 -7.674 1.00 0.00 H new ATOM 0 HE21 GLN A 114 1.489 -2.631 -5.505 1.00 0.00 H new ATOM 0 HE22 GLN A 114 3.175 -2.170 -5.251 1.00 0.00 H new ATOM 1788 N GLN A 115 0.243 -6.663 -7.066 1.00 0.00 N ATOM 1789 CA GLN A 115 -0.603 -7.873 -7.238 1.00 0.00 C ATOM 1790 C GLN A 115 -1.094 -8.368 -5.874 1.00 0.00 C ATOM 1791 O GLN A 115 -2.273 -8.607 -5.679 1.00 0.00 O ATOM 1792 CB GLN A 115 0.221 -8.973 -7.912 1.00 0.00 C ATOM 1793 CG GLN A 115 -0.715 -10.067 -8.424 1.00 0.00 C ATOM 1794 CD GLN A 115 0.100 -11.145 -9.141 1.00 0.00 C ATOM 1795 OE1 GLN A 115 -0.142 -11.439 -10.295 1.00 0.00 O ATOM 1796 NE2 GLN A 115 1.062 -11.751 -8.502 1.00 0.00 N ATOM 0 H GLN A 115 1.247 -6.839 -7.018 1.00 0.00 H new ATOM 0 HA GLN A 115 -1.465 -7.624 -7.857 1.00 0.00 H new ATOM 0 HB2 GLN A 115 0.797 -8.556 -8.738 1.00 0.00 H new ATOM 0 HB3 GLN A 115 0.936 -9.393 -7.204 1.00 0.00 H new ATOM 0 HG2 GLN A 115 -1.266 -10.506 -7.593 1.00 0.00 H new ATOM 0 HG3 GLN A 115 -1.451 -9.640 -9.105 1.00 0.00 H new ATOM 0 HE21 GLN A 115 1.265 -11.504 -7.533 1.00 0.00 H new ATOM 0 HE22 GLN A 115 1.611 -12.471 -8.971 1.00 0.00 H new ATOM 1805 N LEU A 116 -0.210 -8.528 -4.917 1.00 0.00 N ATOM 1806 CA LEU A 116 -0.653 -9.017 -3.577 1.00 0.00 C ATOM 1807 C LEU A 116 -1.126 -7.827 -2.736 1.00 0.00 C ATOM 1808 O LEU A 116 -1.764 -7.979 -1.713 1.00 0.00 O ATOM 1809 CB LEU A 116 0.528 -9.700 -2.877 1.00 0.00 C ATOM 1810 CG LEU A 116 1.288 -10.569 -3.883 1.00 0.00 C ATOM 1811 CD1 LEU A 116 2.397 -11.333 -3.157 1.00 0.00 C ATOM 1812 CD2 LEU A 116 0.323 -11.566 -4.535 1.00 0.00 C ATOM 0 H LEU A 116 0.789 -8.343 -5.006 1.00 0.00 H new ATOM 0 HA LEU A 116 -1.471 -9.728 -3.694 1.00 0.00 H new ATOM 0 HB2 LEU A 116 1.195 -8.950 -2.452 1.00 0.00 H new ATOM 0 HB3 LEU A 116 0.169 -10.313 -2.050 1.00 0.00 H new ATOM 0 HG LEU A 116 1.725 -9.934 -4.653 1.00 0.00 H new ATOM 0 HD11 LEU A 116 2.940 -11.953 -3.871 1.00 0.00 H new ATOM 0 HD12 LEU A 116 3.085 -10.625 -2.695 1.00 0.00 H new ATOM 0 HD13 LEU A 116 1.958 -11.967 -2.387 1.00 0.00 H new ATOM 0 HD21 LEU A 116 0.866 -12.183 -5.251 1.00 0.00 H new ATOM 0 HD22 LEU A 116 -0.117 -12.202 -3.767 1.00 0.00 H new ATOM 0 HD23 LEU A 116 -0.468 -11.022 -5.052 1.00 0.00 H new ATOM 1824 N TRP A 117 -0.799 -6.641 -3.176 1.00 0.00 N ATOM 1825 CA TRP A 117 -1.194 -5.410 -2.438 1.00 0.00 C ATOM 1826 C TRP A 117 -2.636 -5.044 -2.789 1.00 0.00 C ATOM 1827 O TRP A 117 -3.443 -4.765 -1.922 1.00 0.00 O ATOM 1828 CB TRP A 117 -0.255 -4.270 -2.842 1.00 0.00 C ATOM 1829 CG TRP A 117 -0.689 -2.994 -2.195 1.00 0.00 C ATOM 1830 CD1 TRP A 117 -1.452 -2.047 -2.784 1.00 0.00 C ATOM 1831 CD2 TRP A 117 -0.392 -2.507 -0.855 1.00 0.00 C ATOM 1832 NE1 TRP A 117 -1.645 -1.009 -1.891 1.00 0.00 N ATOM 1833 CE2 TRP A 117 -1.012 -1.246 -0.687 1.00 0.00 C ATOM 1834 CE3 TRP A 117 0.345 -3.032 0.221 1.00 0.00 C ATOM 1835 CZ2 TRP A 117 -0.903 -0.530 0.505 1.00 0.00 C ATOM 1836 CZ3 TRP A 117 0.458 -2.314 1.423 1.00 0.00 C ATOM 1837 CH2 TRP A 117 -0.166 -1.066 1.564 1.00 0.00 C ATOM 0 H TRP A 117 -0.266 -6.473 -4.029 1.00 0.00 H new ATOM 0 HA TRP A 117 -1.124 -5.581 -1.364 1.00 0.00 H new ATOM 0 HB2 TRP A 117 0.767 -4.508 -2.546 1.00 0.00 H new ATOM 0 HB3 TRP A 117 -0.255 -4.156 -3.926 1.00 0.00 H new ATOM 0 HD1 TRP A 117 -1.847 -2.093 -3.788 1.00 0.00 H new ATOM 0 HE1 TRP A 117 -2.189 -0.171 -2.097 1.00 0.00 H new ATOM 0 HE3 TRP A 117 0.827 -3.993 0.123 1.00 0.00 H new ATOM 0 HZ2 TRP A 117 -1.385 0.431 0.609 1.00 0.00 H new ATOM 0 HZ3 TRP A 117 1.028 -2.725 2.243 1.00 0.00 H new ATOM 0 HH2 TRP A 117 -0.077 -0.519 2.491 1.00 0.00 H new ATOM 1848 N LEU A 118 -2.992 -5.102 -4.046 1.00 0.00 N ATOM 1849 CA LEU A 118 -4.398 -4.809 -4.431 1.00 0.00 C ATOM 1850 C LEU A 118 -5.276 -5.938 -3.904 1.00 0.00 C ATOM 1851 O LEU A 118 -6.393 -5.708 -3.520 1.00 0.00 O ATOM 1852 CB LEU A 118 -4.518 -4.649 -5.948 1.00 0.00 C ATOM 1853 CG LEU A 118 -3.665 -3.449 -6.397 1.00 0.00 C ATOM 1854 CD1 LEU A 118 -3.633 -3.391 -7.927 1.00 0.00 C ATOM 1855 CD2 LEU A 118 -4.255 -2.133 -5.844 1.00 0.00 C ATOM 0 H LEU A 118 -2.369 -5.339 -4.818 1.00 0.00 H new ATOM 0 HA LEU A 118 -4.727 -3.867 -3.994 1.00 0.00 H new ATOM 0 HB2 LEU A 118 -4.183 -5.557 -6.450 1.00 0.00 H new ATOM 0 HB3 LEU A 118 -5.560 -4.496 -6.229 1.00 0.00 H new ATOM 0 HG LEU A 118 -2.653 -3.571 -6.011 1.00 0.00 H new ATOM 0 HD11 LEU A 118 -3.029 -2.542 -8.246 1.00 0.00 H new ATOM 0 HD12 LEU A 118 -3.199 -4.312 -8.317 1.00 0.00 H new ATOM 0 HD13 LEU A 118 -4.648 -3.278 -8.308 1.00 0.00 H new ATOM 0 HD21 LEU A 118 -3.641 -1.294 -6.170 1.00 0.00 H new ATOM 0 HD22 LEU A 118 -5.271 -2.005 -6.216 1.00 0.00 H new ATOM 0 HD23 LEU A 118 -4.270 -2.170 -4.755 1.00 0.00 H new ATOM 1867 N ALA A 119 -4.783 -7.135 -3.796 1.00 0.00 N ATOM 1868 CA ALA A 119 -5.636 -8.191 -3.183 1.00 0.00 C ATOM 1869 C ALA A 119 -5.947 -7.738 -1.746 1.00 0.00 C ATOM 1870 O ALA A 119 -7.047 -7.301 -1.471 1.00 0.00 O ATOM 1871 CB ALA A 119 -4.913 -9.540 -3.179 1.00 0.00 C ATOM 0 H ALA A 119 -3.853 -7.427 -4.095 1.00 0.00 H new ATOM 0 HA ALA A 119 -6.554 -8.324 -3.755 1.00 0.00 H new ATOM 0 HB1 ALA A 119 -5.555 -10.296 -2.727 1.00 0.00 H new ATOM 0 HB2 ALA A 119 -4.678 -9.830 -4.203 1.00 0.00 H new ATOM 0 HB3 ALA A 119 -3.991 -9.457 -2.604 1.00 0.00 H new ATOM 1877 N ALA A 120 -5.036 -7.848 -0.822 1.00 0.00 N ATOM 1878 CA ALA A 120 -5.347 -7.425 0.584 1.00 0.00 C ATOM 1879 C ALA A 120 -6.030 -6.048 0.641 1.00 0.00 C ATOM 1880 O ALA A 120 -6.459 -5.631 1.698 1.00 0.00 O ATOM 1881 CB ALA A 120 -4.055 -7.336 1.393 1.00 0.00 C ATOM 0 H ALA A 120 -4.094 -8.209 -0.971 1.00 0.00 H new ATOM 0 HA ALA A 120 -6.025 -8.173 0.996 1.00 0.00 H new ATOM 0 HB1 ALA A 120 -4.285 -7.029 2.413 1.00 0.00 H new ATOM 0 HB2 ALA A 120 -3.568 -8.311 1.409 1.00 0.00 H new ATOM 0 HB3 ALA A 120 -3.389 -6.605 0.935 1.00 0.00 H new ATOM 1887 N PHE A 121 -6.145 -5.337 -0.458 1.00 0.00 N ATOM 1888 CA PHE A 121 -6.814 -3.989 -0.417 1.00 0.00 C ATOM 1889 C PHE A 121 -8.110 -4.017 -1.244 1.00 0.00 C ATOM 1890 O PHE A 121 -8.992 -3.197 -1.087 1.00 0.00 O ATOM 1891 CB PHE A 121 -5.859 -2.941 -1.026 1.00 0.00 C ATOM 1892 CG PHE A 121 -4.900 -2.434 0.037 1.00 0.00 C ATOM 1893 CD1 PHE A 121 -4.035 -3.327 0.680 1.00 0.00 C ATOM 1894 CD2 PHE A 121 -4.885 -1.075 0.385 1.00 0.00 C ATOM 1895 CE1 PHE A 121 -3.157 -2.865 1.668 1.00 0.00 C ATOM 1896 CE2 PHE A 121 -4.008 -0.615 1.374 1.00 0.00 C ATOM 1897 CZ PHE A 121 -3.144 -1.509 2.015 1.00 0.00 C ATOM 0 H PHE A 121 -5.808 -5.627 -1.376 1.00 0.00 H new ATOM 0 HA PHE A 121 -7.051 -3.737 0.616 1.00 0.00 H new ATOM 0 HB2 PHE A 121 -5.300 -3.382 -1.851 1.00 0.00 H new ATOM 0 HB3 PHE A 121 -6.432 -2.110 -1.437 1.00 0.00 H new ATOM 0 HD1 PHE A 121 -4.045 -4.374 0.414 1.00 0.00 H new ATOM 0 HD2 PHE A 121 -5.550 -0.384 -0.110 1.00 0.00 H new ATOM 0 HE1 PHE A 121 -2.490 -3.555 2.163 1.00 0.00 H new ATOM 0 HE2 PHE A 121 -3.998 0.431 1.642 1.00 0.00 H new ATOM 0 HZ PHE A 121 -2.467 -1.153 2.777 1.00 0.00 H new ATOM 1907 N ALA A 122 -8.148 -4.895 -2.204 1.00 0.00 N ATOM 1908 CA ALA A 122 -9.276 -4.956 -3.175 1.00 0.00 C ATOM 1909 C ALA A 122 -10.645 -4.993 -2.472 1.00 0.00 C ATOM 1910 O ALA A 122 -11.338 -4.020 -2.259 1.00 0.00 O ATOM 1911 CB ALA A 122 -9.115 -6.276 -3.951 1.00 0.00 C ATOM 0 H ALA A 122 -7.422 -5.594 -2.361 1.00 0.00 H new ATOM 0 HA ALA A 122 -9.247 -4.071 -3.811 1.00 0.00 H new ATOM 0 HB1 ALA A 122 -9.920 -6.370 -4.679 1.00 0.00 H new ATOM 0 HB2 ALA A 122 -8.156 -6.279 -4.468 1.00 0.00 H new ATOM 0 HB3 ALA A 122 -9.155 -7.114 -3.255 1.00 0.00 H new ATOM 1917 N ALA A 123 -10.966 -6.209 -2.113 1.00 0.00 N ATOM 1918 CA ALA A 123 -12.225 -6.552 -1.402 1.00 0.00 C ATOM 1919 C ALA A 123 -11.993 -6.353 0.080 1.00 0.00 C ATOM 1920 O ALA A 123 -12.334 -7.185 0.896 1.00 0.00 O ATOM 1921 CB ALA A 123 -12.574 -8.016 -1.658 1.00 0.00 C ATOM 0 H ALA A 123 -10.370 -7.017 -2.297 1.00 0.00 H new ATOM 0 HA ALA A 123 -13.041 -5.921 -1.754 1.00 0.00 H new ATOM 0 HB1 ALA A 123 -13.498 -8.267 -1.136 1.00 0.00 H new ATOM 0 HB2 ALA A 123 -12.707 -8.177 -2.728 1.00 0.00 H new ATOM 0 HB3 ALA A 123 -11.767 -8.652 -1.293 1.00 0.00 H new ATOM 1927 N LEU A 124 -11.410 -5.253 0.432 1.00 0.00 N ATOM 1928 CA LEU A 124 -11.146 -4.991 1.854 1.00 0.00 C ATOM 1929 C LEU A 124 -12.463 -5.035 2.644 1.00 0.00 C ATOM 1930 O LEU A 124 -12.533 -5.690 3.666 1.00 0.00 O ATOM 1931 CB LEU A 124 -10.491 -3.601 1.993 1.00 0.00 C ATOM 1932 CG LEU A 124 -9.076 -3.707 2.578 1.00 0.00 C ATOM 1933 CD1 LEU A 124 -8.324 -2.387 2.378 1.00 0.00 C ATOM 1934 CD2 LEU A 124 -9.172 -3.985 4.068 1.00 0.00 C ATOM 0 H LEU A 124 -11.105 -4.522 -0.211 1.00 0.00 H new ATOM 0 HA LEU A 124 -10.475 -5.752 2.252 1.00 0.00 H new ATOM 0 HB2 LEU A 124 -10.448 -3.118 1.017 1.00 0.00 H new ATOM 0 HB3 LEU A 124 -11.106 -2.970 2.635 1.00 0.00 H new ATOM 0 HG LEU A 124 -8.543 -4.512 2.072 1.00 0.00 H new ATOM 0 HD11 LEU A 124 -7.321 -2.473 2.796 1.00 0.00 H new ATOM 0 HD12 LEU A 124 -8.255 -2.165 1.313 1.00 0.00 H new ATOM 0 HD13 LEU A 124 -8.860 -1.583 2.882 1.00 0.00 H new ATOM 0 HD21 LEU A 124 -8.170 -4.061 4.489 1.00 0.00 H new ATOM 0 HD22 LEU A 124 -9.710 -3.172 4.556 1.00 0.00 H new ATOM 0 HD23 LEU A 124 -9.706 -4.921 4.230 1.00 0.00 H new ATOM 1946 N PRO A 125 -13.479 -4.314 2.172 1.00 0.00 N ATOM 1947 CA PRO A 125 -14.765 -4.272 2.876 1.00 0.00 C ATOM 1948 C PRO A 125 -15.159 -5.662 3.304 1.00 0.00 C ATOM 1949 O PRO A 125 -15.324 -5.934 4.478 1.00 0.00 O ATOM 1950 CB PRO A 125 -15.743 -3.638 1.877 1.00 0.00 C ATOM 1951 CG PRO A 125 -14.869 -2.896 0.835 1.00 0.00 C ATOM 1952 CD PRO A 125 -13.454 -3.506 0.922 1.00 0.00 C ATOM 0 HA PRO A 125 -14.741 -3.688 3.796 1.00 0.00 H new ATOM 0 HB2 PRO A 125 -16.359 -4.399 1.398 1.00 0.00 H new ATOM 0 HB3 PRO A 125 -16.421 -2.948 2.379 1.00 0.00 H new ATOM 0 HG2 PRO A 125 -15.280 -3.014 -0.168 1.00 0.00 H new ATOM 0 HG3 PRO A 125 -14.842 -1.827 1.045 1.00 0.00 H new ATOM 0 HD2 PRO A 125 -13.233 -4.125 0.052 1.00 0.00 H new ATOM 0 HD3 PRO A 125 -12.689 -2.731 0.964 1.00 0.00 H new ATOM 1960 N GLY A 126 -15.280 -6.558 2.385 1.00 0.00 N ATOM 1961 CA GLY A 126 -15.627 -7.938 2.773 1.00 0.00 C ATOM 1962 C GLY A 126 -14.337 -8.683 3.107 1.00 0.00 C ATOM 1963 O GLY A 126 -13.959 -9.617 2.430 1.00 0.00 O ATOM 0 H GLY A 126 -15.155 -6.398 1.385 1.00 0.00 H new ATOM 0 HA2 GLY A 126 -16.296 -7.933 3.634 1.00 0.00 H new ATOM 0 HA3 GLY A 126 -16.155 -8.439 1.962 1.00 0.00 H new ATOM 1967 N SER A 127 -13.706 -8.331 4.208 1.00 0.00 N ATOM 1968 CA SER A 127 -12.493 -9.105 4.625 1.00 0.00 C ATOM 1969 C SER A 127 -11.716 -8.459 5.787 1.00 0.00 C ATOM 1970 O SER A 127 -11.611 -9.044 6.847 1.00 0.00 O ATOM 1971 CB SER A 127 -11.566 -9.329 3.418 1.00 0.00 C ATOM 1972 OG SER A 127 -11.857 -10.593 2.835 1.00 0.00 O ATOM 0 H SER A 127 -13.972 -7.560 4.821 1.00 0.00 H new ATOM 0 HA SER A 127 -12.854 -10.063 4.999 1.00 0.00 H new ATOM 0 HB2 SER A 127 -11.706 -8.535 2.684 1.00 0.00 H new ATOM 0 HB3 SER A 127 -10.523 -9.291 3.733 1.00 0.00 H new ATOM 0 HG SER A 127 -12.705 -10.540 2.346 1.00 0.00 H new ATOM 1978 N ALA A 128 -11.099 -7.323 5.584 1.00 0.00 N ATOM 1979 CA ALA A 128 -10.245 -6.730 6.674 1.00 0.00 C ATOM 1980 C ALA A 128 -10.508 -5.234 6.956 1.00 0.00 C ATOM 1981 O ALA A 128 -9.710 -4.388 6.610 1.00 0.00 O ATOM 1982 CB ALA A 128 -8.784 -6.898 6.243 1.00 0.00 C ATOM 0 H ALA A 128 -11.144 -6.780 4.722 1.00 0.00 H new ATOM 0 HA ALA A 128 -10.488 -7.253 7.599 1.00 0.00 H new ATOM 0 HB1 ALA A 128 -8.129 -6.480 7.007 1.00 0.00 H new ATOM 0 HB2 ALA A 128 -8.562 -7.957 6.115 1.00 0.00 H new ATOM 0 HB3 ALA A 128 -8.621 -6.376 5.300 1.00 0.00 H new ATOM 1988 N LYS A 129 -11.570 -4.923 7.662 1.00 0.00 N ATOM 1989 CA LYS A 129 -11.807 -3.490 8.043 1.00 0.00 C ATOM 1990 C LYS A 129 -13.007 -3.327 8.995 1.00 0.00 C ATOM 1991 O LYS A 129 -13.112 -3.974 10.017 1.00 0.00 O ATOM 1992 CB LYS A 129 -12.023 -2.612 6.792 1.00 0.00 C ATOM 1993 CG LYS A 129 -13.251 -3.040 5.968 1.00 0.00 C ATOM 1994 CD LYS A 129 -14.022 -1.780 5.496 1.00 0.00 C ATOM 1995 CE LYS A 129 -13.163 -0.962 4.507 1.00 0.00 C ATOM 1996 NZ LYS A 129 -13.666 -1.181 3.121 1.00 0.00 N ATOM 0 H LYS A 129 -12.274 -5.586 7.987 1.00 0.00 H new ATOM 0 HA LYS A 129 -10.911 -3.161 8.568 1.00 0.00 H new ATOM 0 HB2 LYS A 129 -12.141 -1.573 7.099 1.00 0.00 H new ATOM 0 HB3 LYS A 129 -11.134 -2.659 6.163 1.00 0.00 H new ATOM 0 HG2 LYS A 129 -12.937 -3.631 5.107 1.00 0.00 H new ATOM 0 HG3 LYS A 129 -13.903 -3.674 6.569 1.00 0.00 H new ATOM 0 HD2 LYS A 129 -14.956 -2.075 5.018 1.00 0.00 H new ATOM 0 HD3 LYS A 129 -14.285 -1.163 6.356 1.00 0.00 H new ATOM 0 HE2 LYS A 129 -13.207 0.098 4.759 1.00 0.00 H new ATOM 0 HE3 LYS A 129 -12.118 -1.264 4.579 1.00 0.00 H new ATOM 0 HZ1 LYS A 129 -13.534 -0.314 2.563 1.00 0.00 H new ATOM 0 HZ2 LYS A 129 -13.139 -1.961 2.679 1.00 0.00 H new ATOM 0 HZ3 LYS A 129 -14.677 -1.421 3.153 1.00 0.00 H new ATOM 2010 N ASP A 130 -13.913 -2.456 8.613 1.00 0.00 N ATOM 2011 CA ASP A 130 -15.157 -2.173 9.404 1.00 0.00 C ATOM 2012 C ASP A 130 -15.926 -1.018 8.719 1.00 0.00 C ATOM 2013 O ASP A 130 -15.771 0.123 9.108 1.00 0.00 O ATOM 2014 CB ASP A 130 -14.772 -1.740 10.827 1.00 0.00 C ATOM 2015 CG ASP A 130 -16.006 -1.206 11.561 1.00 0.00 C ATOM 2016 OD1 ASP A 130 -16.759 -2.015 12.078 1.00 0.00 O ATOM 2017 OD2 ASP A 130 -16.176 0.001 11.593 1.00 0.00 O ATOM 0 H ASP A 130 -13.838 -1.910 7.754 1.00 0.00 H new ATOM 0 HA ASP A 130 -15.778 -3.068 9.450 1.00 0.00 H new ATOM 0 HB2 ASP A 130 -14.351 -2.585 11.372 1.00 0.00 H new ATOM 0 HB3 ASP A 130 -14.001 -0.971 10.786 1.00 0.00 H new ATOM 2022 N PRO A 131 -16.709 -1.330 7.700 1.00 0.00 N ATOM 2023 CA PRO A 131 -17.468 -0.317 6.940 1.00 0.00 C ATOM 2024 C PRO A 131 -18.888 -0.177 7.502 1.00 0.00 C ATOM 2025 O PRO A 131 -19.400 0.905 7.708 1.00 0.00 O ATOM 2026 CB PRO A 131 -17.577 -0.960 5.548 1.00 0.00 C ATOM 2027 CG PRO A 131 -17.561 -2.494 5.801 1.00 0.00 C ATOM 2028 CD PRO A 131 -16.910 -2.703 7.194 1.00 0.00 C ATOM 0 HA PRO A 131 -16.999 0.667 6.964 1.00 0.00 H new ATOM 0 HB2 PRO A 131 -18.494 -0.654 5.044 1.00 0.00 H new ATOM 0 HB3 PRO A 131 -16.747 -0.658 4.909 1.00 0.00 H new ATOM 0 HG2 PRO A 131 -18.572 -2.901 5.780 1.00 0.00 H new ATOM 0 HG3 PRO A 131 -16.993 -3.009 5.026 1.00 0.00 H new ATOM 0 HD2 PRO A 131 -17.556 -3.282 7.854 1.00 0.00 H new ATOM 0 HD3 PRO A 131 -15.966 -3.243 7.117 1.00 0.00 H new ATOM 2036 N SER A 132 -19.531 -1.301 7.656 1.00 0.00 N ATOM 2037 CA SER A 132 -20.957 -1.347 8.100 1.00 0.00 C ATOM 2038 C SER A 132 -21.484 -2.769 7.861 1.00 0.00 C ATOM 2039 O SER A 132 -22.644 -2.966 7.566 1.00 0.00 O ATOM 2040 CB SER A 132 -21.768 -0.359 7.245 1.00 0.00 C ATOM 2041 OG SER A 132 -21.237 -0.337 5.926 1.00 0.00 O ATOM 0 H SER A 132 -19.116 -2.218 7.488 1.00 0.00 H new ATOM 0 HA SER A 132 -21.044 -1.083 9.154 1.00 0.00 H new ATOM 0 HB2 SER A 132 -22.817 -0.655 7.223 1.00 0.00 H new ATOM 0 HB3 SER A 132 -21.727 0.638 7.683 1.00 0.00 H new ATOM 0 HG SER A 132 -21.752 0.290 5.377 1.00 0.00 H new ATOM 2047 N TRP A 133 -20.636 -3.755 8.023 1.00 0.00 N ATOM 2048 CA TRP A 133 -21.054 -5.181 7.835 1.00 0.00 C ATOM 2049 C TRP A 133 -21.569 -5.418 6.405 1.00 0.00 C ATOM 2050 O TRP A 133 -21.165 -6.356 5.746 1.00 0.00 O ATOM 2051 CB TRP A 133 -22.145 -5.535 8.847 1.00 0.00 C ATOM 2052 CG TRP A 133 -22.325 -7.018 8.894 1.00 0.00 C ATOM 2053 CD1 TRP A 133 -23.334 -7.697 8.301 1.00 0.00 C ATOM 2054 CD2 TRP A 133 -21.496 -8.015 9.560 1.00 0.00 C ATOM 2055 NE1 TRP A 133 -23.177 -9.047 8.560 1.00 0.00 N ATOM 2056 CE2 TRP A 133 -22.059 -9.293 9.331 1.00 0.00 C ATOM 2057 CE3 TRP A 133 -20.323 -7.935 10.331 1.00 0.00 C ATOM 2058 CZ2 TRP A 133 -21.478 -10.451 9.850 1.00 0.00 C ATOM 2059 CZ3 TRP A 133 -19.735 -9.098 10.855 1.00 0.00 C ATOM 2060 CH2 TRP A 133 -20.312 -10.353 10.614 1.00 0.00 C ATOM 0 H TRP A 133 -19.657 -3.631 8.281 1.00 0.00 H new ATOM 0 HA TRP A 133 -20.186 -5.820 7.996 1.00 0.00 H new ATOM 0 HB2 TRP A 133 -21.875 -5.160 9.834 1.00 0.00 H new ATOM 0 HB3 TRP A 133 -23.083 -5.054 8.569 1.00 0.00 H new ATOM 0 HD1 TRP A 133 -24.131 -7.257 7.720 1.00 0.00 H new ATOM 0 HE1 TRP A 133 -23.810 -9.772 8.222 1.00 0.00 H new ATOM 0 HE3 TRP A 133 -19.871 -6.973 10.522 1.00 0.00 H new ATOM 0 HZ2 TRP A 133 -21.926 -11.416 9.663 1.00 0.00 H new ATOM 0 HZ3 TRP A 133 -18.834 -9.025 11.446 1.00 0.00 H new ATOM 0 HH2 TRP A 133 -19.855 -11.244 11.019 1.00 0.00 H new ATOM 2071 N ALA A 134 -22.450 -4.591 5.919 1.00 0.00 N ATOM 2072 CA ALA A 134 -22.975 -4.789 4.539 1.00 0.00 C ATOM 2073 C ALA A 134 -23.550 -6.201 4.409 1.00 0.00 C ATOM 2074 O ALA A 134 -24.752 -6.346 4.555 1.00 0.00 O ATOM 2075 CB ALA A 134 -21.841 -4.606 3.529 1.00 0.00 C ATOM 2076 OXT ALA A 134 -22.777 -7.113 4.166 1.00 0.00 O ATOM 0 H ALA A 134 -22.830 -3.786 6.417 1.00 0.00 H new ATOM 0 HA ALA A 134 -23.759 -4.058 4.341 1.00 0.00 H new ATOM 0 HB1 ALA A 134 -22.226 -4.751 2.520 1.00 0.00 H new ATOM 0 HB2 ALA A 134 -21.431 -3.600 3.620 1.00 0.00 H new ATOM 0 HB3 ALA A 134 -21.056 -5.336 3.727 1.00 0.00 H new TER 2082 ALA A 134