USER MOD reduce.3.24.130724 H: found=0, std=0, add=976, rem=0, adj=35 USER MOD reduce.3.24.130724 removed 976 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 112 GLN : amide:sc= 0.0348 X(o=0.07,f=0.037) USER MOD Set 1.2: A 120 TYR OH : rot 150:sc= 0.035 USER MOD Set 2.1: A 90 GLN :FLIP amide:sc= -0.0365 F(o=-7.6,f=-6.8) USER MOD Set 2.2: A 95 HIS :FLIP no HD1:sc= -6.72! C(o=-8.9!,f=-6.8!) USER MOD Set 3.1: A 42 MET CE :methyl -148:sc= -0.531 (180deg=-2.2!) USER MOD Set 3.2: A 45 MET CE :methyl -172:sc= -2.01 (180deg=-2.73) USER MOD Single : A 1 CYS N :NH3+ -171:sc= 0 (180deg=-0.077) USER MOD Single : A 2 THR OG1 : rot 37:sc= 1.12 USER MOD Single : A 7 HIS : no HD1:sc= -0.225 X(o=-0.23,f=-0.38) USER MOD Single : A 9 GLN : amide:sc= -2.63 X(o=-2.6,f=-2.8!) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 15 SER OG : rot 130:sc= -1.72 USER MOD Single : A 22 LYS NZ :NH3+ 162:sc= -0.973 (180deg=-1.51) USER MOD Single : A 26 THR OG1 : rot 89:sc= -4.11! USER MOD Single : A 30 ASN :FLIP amide:sc= -0.0554 F(o=-1.8,f=-0.055) USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 32 THR OG1 : rot 14:sc= 0.0242 USER MOD Single : A 33 THR OG1 : rot 79:sc= -2.02! USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 GLN : amide:sc= -4.39! C(o=-4.4!,f=-13!) USER MOD Single : A 38 TYR OH : rot 180:sc= -0.124 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 THR OG1 : rot -130:sc= -6.59! USER MOD Single : A 44 LYS NZ :NH3+ -172:sc= -0.0936 (180deg=-0.235) USER MOD Single : A 46 TYR OH : rot 153:sc= -1.59 USER MOD Single : A 47 LYS NZ :NH3+ -165:sc= 0.227 (180deg=0.154) USER MOD Single : A 50 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 TYR OH : rot 180:sc= -0.382 USER MOD Single : A 63 THR OG1 : rot -110:sc= -8.08! USER MOD Single : A 66 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 68 SER OG : rot 180:sc=6.71e-05 USER MOD Single : A 72 TYR OH : rot 151:sc= 0.271 USER MOD Single : A 74 HIS : no HE2:sc= -4.43 K(o=-4.4,f=-8.1!) USER MOD Single : A 76 SER OG : rot 6:sc= 1.03 USER MOD Single : A 77 HIS : no HD1:sc= 0.774 K(o=0.77,f=-3.5!) USER MOD Single : A 78 ASN : amide:sc= -0.0569 K(o=-0.057,f=-1.6) USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 THR OG1 : rot 180:sc=-0.00263 USER MOD Single : A 98 THR OG1 : rot -102:sc= 1.32 USER MOD Single : A 100 SER OG : rot -120:sc= 0.529 USER MOD Single : A 106 ASN : amide:sc= 0.458 K(o=0.46,f=-1.2) USER MOD Single : A 107 SER OG : rot -39:sc= 0.107 USER MOD Single : A 109 SER OG : rot 180:sc= 0.00343 USER MOD Single : A 117 THR OG1 : rot 180:sc= 0 USER MOD Single : A 118 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 119 THR OG1 : rot -103:sc= -12! USER MOD Single : A 121 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N CYS A 1 -8.923 15.476 3.201 1.00 0.00 N ATOM 2 CA CYS A 1 -8.153 14.212 3.080 1.00 0.00 C ATOM 3 C CYS A 1 -6.904 14.401 2.245 1.00 0.00 C ATOM 4 O CYS A 1 -5.835 13.886 2.573 1.00 0.00 O ATOM 5 CB CYS A 1 -9.059 13.149 2.433 1.00 0.00 C ATOM 6 SG CYS A 1 -8.547 12.570 0.777 1.00 0.00 S ATOM 0 H1 CYS A 1 -9.685 15.353 3.899 1.00 0.00 H new ATOM 0 H2 CYS A 1 -8.289 16.240 3.511 1.00 0.00 H new ATOM 0 H3 CYS A 1 -9.335 15.721 2.278 1.00 0.00 H new ATOM 0 HA CYS A 1 -7.838 13.893 4.074 1.00 0.00 H new ATOM 0 HB2 CYS A 1 -9.109 12.288 3.099 1.00 0.00 H new ATOM 0 HB3 CYS A 1 -10.068 13.555 2.360 1.00 0.00 H new ATOM 13 N THR A 2 -7.064 15.108 1.141 1.00 0.00 N ATOM 14 CA THR A 2 -5.970 15.325 0.220 1.00 0.00 C ATOM 15 C THR A 2 -4.799 16.029 0.897 1.00 0.00 C ATOM 16 O THR A 2 -4.678 17.252 0.822 1.00 0.00 O ATOM 17 CB THR A 2 -6.445 16.145 -0.979 1.00 0.00 C ATOM 18 OG1 THR A 2 -6.843 17.442 -0.570 1.00 0.00 O ATOM 19 CG2 THR A 2 -7.612 15.522 -1.711 1.00 0.00 C ATOM 0 H THR A 2 -7.944 15.541 0.862 1.00 0.00 H new ATOM 0 HA THR A 2 -5.626 14.349 -0.121 1.00 0.00 H new ATOM 0 HB THR A 2 -5.592 16.183 -1.656 1.00 0.00 H new ATOM 0 HG1 THR A 2 -6.255 17.753 0.150 1.00 0.00 H new ATOM 0 HG21 THR A 2 -7.896 16.157 -2.550 1.00 0.00 H new ATOM 0 HG22 THR A 2 -7.325 14.538 -2.082 1.00 0.00 H new ATOM 0 HG23 THR A 2 -8.457 15.421 -1.030 1.00 0.00 H new ATOM 27 N CYS A 3 -3.941 15.264 1.568 1.00 0.00 N ATOM 28 CA CYS A 3 -2.787 15.811 2.270 1.00 0.00 C ATOM 29 C CYS A 3 -1.510 15.666 1.441 1.00 0.00 C ATOM 30 O CYS A 3 -1.555 15.293 0.269 1.00 0.00 O ATOM 31 CB CYS A 3 -2.641 15.099 3.626 1.00 0.00 C ATOM 32 SG CYS A 3 -1.384 13.784 3.713 1.00 0.00 S ATOM 0 H CYS A 3 -4.027 14.250 1.639 1.00 0.00 H new ATOM 0 HA CYS A 3 -2.945 16.877 2.433 1.00 0.00 H new ATOM 0 HB2 CYS A 3 -2.406 15.848 4.383 1.00 0.00 H new ATOM 0 HB3 CYS A 3 -3.606 14.668 3.892 1.00 0.00 H new ATOM 37 N VAL A 4 -0.372 15.954 2.067 1.00 0.00 N ATOM 38 CA VAL A 4 0.919 15.844 1.399 1.00 0.00 C ATOM 39 C VAL A 4 1.666 14.593 1.881 1.00 0.00 C ATOM 40 O VAL A 4 1.541 14.201 3.042 1.00 0.00 O ATOM 41 CB VAL A 4 1.768 17.115 1.632 1.00 0.00 C ATOM 42 CG1 VAL A 4 1.836 17.456 3.112 1.00 0.00 C ATOM 43 CG2 VAL A 4 3.168 16.985 1.045 1.00 0.00 C ATOM 0 H VAL A 4 -0.319 16.265 3.037 1.00 0.00 H new ATOM 0 HA VAL A 4 0.745 15.748 0.327 1.00 0.00 H new ATOM 0 HB VAL A 4 1.272 17.932 1.108 1.00 0.00 H new ATOM 0 HG11 VAL A 4 2.438 18.354 3.251 1.00 0.00 H new ATOM 0 HG12 VAL A 4 0.829 17.632 3.491 1.00 0.00 H new ATOM 0 HG13 VAL A 4 2.289 16.627 3.656 1.00 0.00 H new ATOM 0 HG21 VAL A 4 3.728 17.901 1.233 1.00 0.00 H new ATOM 0 HG22 VAL A 4 3.681 16.144 1.511 1.00 0.00 H new ATOM 0 HG23 VAL A 4 3.098 16.816 -0.030 1.00 0.00 H new ATOM 53 N PRO A 5 2.445 13.936 0.991 1.00 0.00 N ATOM 54 CA PRO A 5 3.193 12.716 1.336 1.00 0.00 C ATOM 55 C PRO A 5 3.895 12.823 2.690 1.00 0.00 C ATOM 56 O PRO A 5 4.788 13.651 2.874 1.00 0.00 O ATOM 57 CB PRO A 5 4.187 12.599 0.185 1.00 0.00 C ATOM 58 CG PRO A 5 3.431 13.150 -0.976 1.00 0.00 C ATOM 59 CD PRO A 5 2.653 14.316 -0.422 1.00 0.00 C ATOM 0 HA PRO A 5 2.552 11.841 1.446 1.00 0.00 H new ATOM 0 HB2 PRO A 5 5.097 13.167 0.379 1.00 0.00 H new ATOM 0 HB3 PRO A 5 4.487 11.565 0.016 1.00 0.00 H new ATOM 0 HG2 PRO A 5 4.106 13.469 -1.770 1.00 0.00 H new ATOM 0 HG3 PRO A 5 2.766 12.400 -1.405 1.00 0.00 H new ATOM 0 HD2 PRO A 5 3.208 15.250 -0.511 1.00 0.00 H new ATOM 0 HD3 PRO A 5 1.707 14.456 -0.946 1.00 0.00 H new ATOM 67 N PRO A 6 3.458 12.012 3.676 1.00 0.00 N ATOM 68 CA PRO A 6 3.996 12.041 5.035 1.00 0.00 C ATOM 69 C PRO A 6 5.243 11.198 5.263 1.00 0.00 C ATOM 70 O PRO A 6 5.340 10.084 4.749 1.00 0.00 O ATOM 71 CB PRO A 6 2.837 11.497 5.892 1.00 0.00 C ATOM 72 CG PRO A 6 1.754 11.086 4.938 1.00 0.00 C ATOM 73 CD PRO A 6 2.366 11.042 3.568 1.00 0.00 C ATOM 0 HA PRO A 6 4.324 13.051 5.279 1.00 0.00 H new ATOM 0 HB2 PRO A 6 3.165 10.650 6.494 1.00 0.00 H new ATOM 0 HB3 PRO A 6 2.476 12.258 6.583 1.00 0.00 H new ATOM 0 HG2 PRO A 6 1.350 10.111 5.211 1.00 0.00 H new ATOM 0 HG3 PRO A 6 0.926 11.794 4.967 1.00 0.00 H new ATOM 0 HD2 PRO A 6 2.732 10.046 3.319 1.00 0.00 H new ATOM 0 HD3 PRO A 6 1.650 11.321 2.795 1.00 0.00 H new ATOM 81 N HIS A 7 6.211 11.758 5.989 1.00 0.00 N ATOM 82 CA HIS A 7 7.491 11.102 6.258 1.00 0.00 C ATOM 83 C HIS A 7 7.402 9.578 6.269 1.00 0.00 C ATOM 84 O HIS A 7 6.620 8.992 7.015 1.00 0.00 O ATOM 85 CB HIS A 7 8.043 11.590 7.600 1.00 0.00 C ATOM 86 CG HIS A 7 8.089 13.082 7.718 1.00 0.00 C ATOM 87 ND1 HIS A 7 8.339 13.913 6.645 1.00 0.00 N ATOM 88 CD2 HIS A 7 7.909 13.895 8.786 1.00 0.00 C ATOM 89 CE1 HIS A 7 8.313 15.170 7.049 1.00 0.00 C ATOM 90 NE2 HIS A 7 8.053 15.186 8.343 1.00 0.00 N ATOM 0 H HIS A 7 6.129 12.684 6.409 1.00 0.00 H new ATOM 0 HA HIS A 7 8.160 11.372 5.441 1.00 0.00 H new ATOM 0 HB2 HIS A 7 7.428 11.188 8.405 1.00 0.00 H new ATOM 0 HB3 HIS A 7 9.048 11.191 7.738 1.00 0.00 H new ATOM 0 HD2 HIS A 7 7.692 13.585 9.798 1.00 0.00 H new ATOM 0 HE1 HIS A 7 8.477 16.037 6.427 1.00 0.00 H new ATOM 0 HE2 HIS A 7 7.972 16.023 8.921 1.00 0.00 H new ATOM 99 N PRO A 8 8.242 8.919 5.449 1.00 0.00 N ATOM 100 CA PRO A 8 8.298 7.463 5.366 1.00 0.00 C ATOM 101 C PRO A 8 8.718 6.863 6.682 1.00 0.00 C ATOM 102 O PRO A 8 8.353 5.732 6.986 1.00 0.00 O ATOM 103 CB PRO A 8 9.332 7.195 4.287 1.00 0.00 C ATOM 104 CG PRO A 8 10.180 8.401 4.340 1.00 0.00 C ATOM 105 CD PRO A 8 9.229 9.536 4.565 1.00 0.00 C ATOM 0 HA PRO A 8 7.330 7.019 5.135 1.00 0.00 H new ATOM 0 HB2 PRO A 8 9.904 6.289 4.491 1.00 0.00 H new ATOM 0 HB3 PRO A 8 8.871 7.068 3.308 1.00 0.00 H new ATOM 0 HG2 PRO A 8 10.911 8.334 5.145 1.00 0.00 H new ATOM 0 HG3 PRO A 8 10.738 8.532 3.413 1.00 0.00 H new ATOM 0 HD2 PRO A 8 9.716 10.393 5.029 1.00 0.00 H new ATOM 0 HD3 PRO A 8 8.783 9.888 3.635 1.00 0.00 H new ATOM 113 N GLN A 9 9.418 7.639 7.517 1.00 0.00 N ATOM 114 CA GLN A 9 9.759 7.160 8.841 1.00 0.00 C ATOM 115 C GLN A 9 8.418 6.825 9.429 1.00 0.00 C ATOM 116 O GLN A 9 8.107 5.685 9.773 1.00 0.00 O ATOM 117 CB GLN A 9 10.496 8.278 9.615 1.00 0.00 C ATOM 118 CG GLN A 9 9.923 8.690 10.972 1.00 0.00 C ATOM 119 CD GLN A 9 10.624 8.017 12.135 1.00 0.00 C ATOM 120 OE1 GLN A 9 11.589 8.548 12.687 1.00 0.00 O ATOM 121 NE2 GLN A 9 10.139 6.842 12.518 1.00 0.00 N ATOM 0 H GLN A 9 9.749 8.579 7.298 1.00 0.00 H new ATOM 0 HA GLN A 9 10.432 6.303 8.864 1.00 0.00 H new ATOM 0 HB2 GLN A 9 11.527 7.959 9.768 1.00 0.00 H new ATOM 0 HB3 GLN A 9 10.527 9.163 8.980 1.00 0.00 H new ATOM 0 HG2 GLN A 9 10.004 9.771 11.082 1.00 0.00 H new ATOM 0 HG3 GLN A 9 8.861 8.445 11.003 1.00 0.00 H new ATOM 0 HE21 GLN A 9 9.338 6.438 12.033 1.00 0.00 H new ATOM 0 HE22 GLN A 9 10.568 6.343 13.298 1.00 0.00 H new ATOM 130 N THR A 10 7.637 7.872 9.518 1.00 0.00 N ATOM 131 CA THR A 10 6.317 7.770 10.037 1.00 0.00 C ATOM 132 C THR A 10 5.500 6.766 9.238 1.00 0.00 C ATOM 133 O THR A 10 4.943 5.845 9.822 1.00 0.00 O ATOM 134 CB THR A 10 5.657 9.156 10.057 1.00 0.00 C ATOM 135 OG1 THR A 10 6.221 9.954 11.085 1.00 0.00 O ATOM 136 CG2 THR A 10 4.158 9.135 10.274 1.00 0.00 C ATOM 0 H THR A 10 7.907 8.813 9.231 1.00 0.00 H new ATOM 0 HA THR A 10 6.362 7.402 11.062 1.00 0.00 H new ATOM 0 HB THR A 10 5.845 9.567 9.065 1.00 0.00 H new ATOM 0 HG1 THR A 10 5.793 10.836 11.087 1.00 0.00 H new ATOM 0 HG21 THR A 10 3.776 10.156 10.274 1.00 0.00 H new ATOM 0 HG22 THR A 10 3.682 8.569 9.473 1.00 0.00 H new ATOM 0 HG23 THR A 10 3.936 8.665 11.232 1.00 0.00 H new ATOM 144 N ALA A 11 5.405 6.902 7.914 1.00 0.00 N ATOM 145 CA ALA A 11 4.633 5.971 7.100 1.00 0.00 C ATOM 146 C ALA A 11 5.100 4.525 7.220 1.00 0.00 C ATOM 147 O ALA A 11 4.280 3.621 7.337 1.00 0.00 O ATOM 148 CB ALA A 11 4.686 6.408 5.652 1.00 0.00 C ATOM 0 H ALA A 11 5.855 7.650 7.386 1.00 0.00 H new ATOM 0 HA ALA A 11 3.610 5.996 7.475 1.00 0.00 H new ATOM 0 HB1 ALA A 11 4.109 5.713 5.041 1.00 0.00 H new ATOM 0 HB2 ALA A 11 4.265 7.409 5.558 1.00 0.00 H new ATOM 0 HB3 ALA A 11 5.722 6.417 5.312 1.00 0.00 H new ATOM 154 N PHE A 12 6.403 4.294 7.188 1.00 0.00 N ATOM 155 CA PHE A 12 6.912 2.933 7.293 1.00 0.00 C ATOM 156 C PHE A 12 6.604 2.362 8.659 1.00 0.00 C ATOM 157 O PHE A 12 5.976 1.311 8.793 1.00 0.00 O ATOM 158 CB PHE A 12 8.415 2.868 7.029 1.00 0.00 C ATOM 159 CG PHE A 12 8.855 1.530 6.508 1.00 0.00 C ATOM 160 CD1 PHE A 12 8.622 0.378 7.242 1.00 0.00 C ATOM 161 CD2 PHE A 12 9.495 1.420 5.287 1.00 0.00 C ATOM 162 CE1 PHE A 12 9.021 -0.856 6.765 1.00 0.00 C ATOM 163 CE2 PHE A 12 9.895 0.187 4.805 1.00 0.00 C ATOM 164 CZ PHE A 12 9.658 -0.951 5.546 1.00 0.00 C ATOM 0 H PHE A 12 7.117 5.016 7.092 1.00 0.00 H new ATOM 0 HA PHE A 12 6.412 2.337 6.529 1.00 0.00 H new ATOM 0 HB2 PHE A 12 8.687 3.641 6.310 1.00 0.00 H new ATOM 0 HB3 PHE A 12 8.952 3.088 7.952 1.00 0.00 H new ATOM 0 HD1 PHE A 12 8.123 0.445 8.197 1.00 0.00 H new ATOM 0 HD2 PHE A 12 9.685 2.308 4.703 1.00 0.00 H new ATOM 0 HE1 PHE A 12 8.834 -1.746 7.347 1.00 0.00 H new ATOM 0 HE2 PHE A 12 10.393 0.116 3.849 1.00 0.00 H new ATOM 0 HZ PHE A 12 9.971 -1.915 5.172 1.00 0.00 H new ATOM 174 N CYS A 13 7.130 3.039 9.665 1.00 0.00 N ATOM 175 CA CYS A 13 7.008 2.596 11.034 1.00 0.00 C ATOM 176 C CYS A 13 5.597 2.693 11.577 1.00 0.00 C ATOM 177 O CYS A 13 5.111 1.743 12.189 1.00 0.00 O ATOM 178 CB CYS A 13 7.957 3.396 11.928 1.00 0.00 C ATOM 179 SG CYS A 13 9.662 2.755 11.966 1.00 0.00 S ATOM 0 H CYS A 13 7.651 3.908 9.552 1.00 0.00 H new ATOM 0 HA CYS A 13 7.276 1.539 11.040 1.00 0.00 H new ATOM 0 HB2 CYS A 13 7.977 4.430 11.585 1.00 0.00 H new ATOM 0 HB3 CYS A 13 7.561 3.405 12.943 1.00 0.00 H new ATOM 184 N ASN A 14 4.920 3.816 11.354 1.00 0.00 N ATOM 185 CA ASN A 14 3.563 3.925 11.850 1.00 0.00 C ATOM 186 C ASN A 14 2.677 2.858 11.211 1.00 0.00 C ATOM 187 O ASN A 14 1.842 2.270 11.900 1.00 0.00 O ATOM 188 CB ASN A 14 2.979 5.322 11.619 1.00 0.00 C ATOM 189 CG ASN A 14 2.349 5.893 12.877 1.00 0.00 C ATOM 190 OD1 ASN A 14 3.015 6.554 13.674 1.00 0.00 O ATOM 191 ND2 ASN A 14 1.059 5.638 13.064 1.00 0.00 N ATOM 0 H ASN A 14 5.275 4.630 10.853 1.00 0.00 H new ATOM 0 HA ASN A 14 3.592 3.762 12.927 1.00 0.00 H new ATOM 0 HB2 ASN A 14 3.767 5.991 11.273 1.00 0.00 H new ATOM 0 HB3 ASN A 14 2.230 5.275 10.828 1.00 0.00 H new ATOM 0 HD21 ASN A 14 0.584 5.994 13.893 1.00 0.00 H new ATOM 0 HD22 ASN A 14 0.544 5.086 12.378 1.00 0.00 H new ATOM 198 N SER A 15 2.837 2.582 9.901 1.00 0.00 N ATOM 199 CA SER A 15 2.056 1.586 9.229 1.00 0.00 C ATOM 200 C SER A 15 2.467 0.201 9.633 1.00 0.00 C ATOM 201 O SER A 15 3.627 -0.109 9.912 1.00 0.00 O ATOM 202 CB SER A 15 2.175 1.695 7.723 1.00 0.00 C ATOM 203 OG SER A 15 0.903 1.743 7.102 1.00 0.00 O ATOM 0 H SER A 15 3.515 3.054 9.303 1.00 0.00 H new ATOM 0 HA SER A 15 1.022 1.766 9.524 1.00 0.00 H new ATOM 0 HB2 SER A 15 2.740 2.591 7.466 1.00 0.00 H new ATOM 0 HB3 SER A 15 2.736 0.843 7.339 1.00 0.00 H new ATOM 0 HG SER A 15 0.871 2.499 6.479 1.00 0.00 H new ATOM 209 N ASP A 16 1.450 -0.579 9.684 1.00 0.00 N ATOM 210 CA ASP A 16 1.508 -1.968 10.083 1.00 0.00 C ATOM 211 C ASP A 16 1.514 -2.936 8.909 1.00 0.00 C ATOM 212 O ASP A 16 1.527 -4.146 9.108 1.00 0.00 O ATOM 213 CB ASP A 16 0.268 -2.258 10.901 1.00 0.00 C ATOM 214 CG ASP A 16 0.385 -1.829 12.349 1.00 0.00 C ATOM 215 OD1 ASP A 16 0.370 -0.608 12.609 1.00 0.00 O ATOM 216 OD2 ASP A 16 0.484 -2.715 13.221 1.00 0.00 O ATOM 0 H ASP A 16 0.508 -0.270 9.442 1.00 0.00 H new ATOM 0 HA ASP A 16 2.437 -2.112 10.634 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -0.583 -1.750 10.448 1.00 0.00 H new ATOM 0 HB3 ASP A 16 0.059 -3.327 10.863 1.00 0.00 H new ATOM 221 N LEU A 17 1.678 -2.399 7.709 1.00 0.00 N ATOM 222 CA LEU A 17 1.872 -3.248 6.537 1.00 0.00 C ATOM 223 C LEU A 17 2.324 -2.441 5.332 1.00 0.00 C ATOM 224 O LEU A 17 1.677 -1.491 4.925 1.00 0.00 O ATOM 225 CB LEU A 17 0.657 -4.113 6.252 1.00 0.00 C ATOM 226 CG LEU A 17 0.786 -5.516 6.853 1.00 0.00 C ATOM 227 CD1 LEU A 17 -0.194 -5.723 7.989 1.00 0.00 C ATOM 228 CD2 LEU A 17 0.601 -6.575 5.791 1.00 0.00 C ATOM 0 H LEU A 17 1.681 -1.397 7.520 1.00 0.00 H new ATOM 0 HA LEU A 17 2.682 -3.941 6.764 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -0.233 -3.629 6.654 1.00 0.00 H new ATOM 0 HB3 LEU A 17 0.516 -4.194 5.174 1.00 0.00 H new ATOM 0 HG LEU A 17 1.793 -5.609 7.260 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -0.076 -6.729 8.393 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -0.001 -4.992 8.774 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -1.212 -5.598 7.619 1.00 0.00 H new ATOM 0 HD21 LEU A 17 0.697 -7.563 6.242 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -0.388 -6.474 5.345 1.00 0.00 H new ATOM 0 HD23 LEU A 17 1.361 -6.453 5.019 1.00 0.00 H new ATOM 240 N VAL A 18 3.465 -2.828 4.768 1.00 0.00 N ATOM 241 CA VAL A 18 4.025 -2.135 3.630 1.00 0.00 C ATOM 242 C VAL A 18 4.553 -3.125 2.638 1.00 0.00 C ATOM 243 O VAL A 18 5.270 -4.051 3.012 1.00 0.00 O ATOM 244 CB VAL A 18 5.235 -1.258 4.028 1.00 0.00 C ATOM 245 CG1 VAL A 18 5.538 -0.238 2.941 1.00 0.00 C ATOM 246 CG2 VAL A 18 5.023 -0.570 5.372 1.00 0.00 C ATOM 0 H VAL A 18 4.017 -3.624 5.089 1.00 0.00 H new ATOM 0 HA VAL A 18 3.224 -1.520 3.220 1.00 0.00 H new ATOM 0 HB VAL A 18 6.095 -1.919 4.136 1.00 0.00 H new ATOM 0 HG11 VAL A 18 6.392 0.369 3.240 1.00 0.00 H new ATOM 0 HG12 VAL A 18 5.769 -0.756 2.010 1.00 0.00 H new ATOM 0 HG13 VAL A 18 4.670 0.405 2.793 1.00 0.00 H new ATOM 0 HG21 VAL A 18 5.897 0.035 5.613 1.00 0.00 H new ATOM 0 HG22 VAL A 18 4.142 0.070 5.318 1.00 0.00 H new ATOM 0 HG23 VAL A 18 4.878 -1.323 6.147 1.00 0.00 H new ATOM 256 N ILE A 19 4.151 -2.993 1.384 1.00 0.00 N ATOM 257 CA ILE A 19 4.537 -3.947 0.380 1.00 0.00 C ATOM 258 C ILE A 19 4.493 -3.358 -1.018 1.00 0.00 C ATOM 259 O ILE A 19 3.711 -2.454 -1.308 1.00 0.00 O ATOM 260 CB ILE A 19 3.571 -5.159 0.385 1.00 0.00 C ATOM 261 CG1 ILE A 19 2.142 -4.720 0.028 1.00 0.00 C ATOM 262 CG2 ILE A 19 3.582 -5.872 1.725 1.00 0.00 C ATOM 263 CD1 ILE A 19 1.465 -3.878 1.095 1.00 0.00 C ATOM 0 H ILE A 19 3.559 -2.234 1.047 1.00 0.00 H new ATOM 0 HA ILE A 19 5.557 -4.246 0.623 1.00 0.00 H new ATOM 0 HB ILE A 19 3.922 -5.859 -0.373 1.00 0.00 H new ATOM 0 HG12 ILE A 19 2.170 -4.153 -0.903 1.00 0.00 H new ATOM 0 HG13 ILE A 19 1.537 -5.607 -0.157 1.00 0.00 H new ATOM 0 HG21 ILE A 19 2.894 -6.717 1.693 1.00 0.00 H new ATOM 0 HG22 ILE A 19 4.589 -6.232 1.937 1.00 0.00 H new ATOM 0 HG23 ILE A 19 3.272 -5.180 2.508 1.00 0.00 H new ATOM 0 HD11 ILE A 19 0.461 -3.610 0.765 1.00 0.00 H new ATOM 0 HD12 ILE A 19 1.402 -4.447 2.022 1.00 0.00 H new ATOM 0 HD13 ILE A 19 2.045 -2.971 1.265 1.00 0.00 H new ATOM 275 N ARG A 20 5.307 -3.919 -1.879 1.00 0.00 N ATOM 276 CA ARG A 20 5.336 -3.499 -3.263 1.00 0.00 C ATOM 277 C ARG A 20 4.445 -4.439 -4.061 1.00 0.00 C ATOM 278 O ARG A 20 4.434 -5.651 -3.845 1.00 0.00 O ATOM 279 CB ARG A 20 6.768 -3.424 -3.831 1.00 0.00 C ATOM 280 CG ARG A 20 7.300 -4.718 -4.429 1.00 0.00 C ATOM 281 CD ARG A 20 8.301 -4.443 -5.549 1.00 0.00 C ATOM 282 NE ARG A 20 8.091 -5.296 -6.724 1.00 0.00 N ATOM 283 CZ ARG A 20 9.082 -5.745 -7.505 1.00 0.00 C ATOM 284 NH1 ARG A 20 10.340 -5.414 -7.246 1.00 0.00 N ATOM 285 NH2 ARG A 20 8.820 -6.520 -8.550 1.00 0.00 N ATOM 0 H ARG A 20 5.959 -4.668 -1.648 1.00 0.00 H new ATOM 0 HA ARG A 20 4.954 -2.481 -3.339 1.00 0.00 H new ATOM 0 HB2 ARG A 20 6.797 -2.650 -4.598 1.00 0.00 H new ATOM 0 HB3 ARG A 20 7.441 -3.108 -3.034 1.00 0.00 H new ATOM 0 HG2 ARG A 20 7.778 -5.312 -3.650 1.00 0.00 H new ATOM 0 HG3 ARG A 20 6.471 -5.309 -4.817 1.00 0.00 H new ATOM 0 HD2 ARG A 20 8.227 -3.397 -5.847 1.00 0.00 H new ATOM 0 HD3 ARG A 20 9.312 -4.596 -5.171 1.00 0.00 H new ATOM 0 HE ARG A 20 7.135 -5.562 -6.960 1.00 0.00 H new ATOM 0 HH11 ARG A 20 10.556 -4.815 -6.449 1.00 0.00 H new ATOM 0 HH12 ARG A 20 11.091 -5.758 -7.844 1.00 0.00 H new ATOM 0 HH21 ARG A 20 7.857 -6.779 -8.764 1.00 0.00 H new ATOM 0 HH22 ARG A 20 9.582 -6.857 -9.139 1.00 0.00 H new ATOM 299 N ALA A 21 3.682 -3.849 -4.953 1.00 0.00 N ATOM 300 CA ALA A 21 2.752 -4.632 -5.755 1.00 0.00 C ATOM 301 C ALA A 21 2.321 -3.965 -7.038 1.00 0.00 C ATOM 302 O ALA A 21 2.568 -2.794 -7.304 1.00 0.00 O ATOM 303 CB ALA A 21 1.542 -5.002 -4.914 1.00 0.00 C ATOM 0 H ALA A 21 3.681 -2.847 -5.144 1.00 0.00 H new ATOM 0 HA ALA A 21 3.291 -5.527 -6.064 1.00 0.00 H new ATOM 0 HB1 ALA A 21 0.847 -5.588 -5.515 1.00 0.00 H new ATOM 0 HB2 ALA A 21 1.863 -5.590 -4.054 1.00 0.00 H new ATOM 0 HB3 ALA A 21 1.047 -4.094 -4.569 1.00 0.00 H new ATOM 309 N LYS A 22 1.601 -4.792 -7.792 1.00 0.00 N ATOM 310 CA LYS A 22 0.983 -4.435 -9.058 1.00 0.00 C ATOM 311 C LYS A 22 -0.540 -4.489 -8.916 1.00 0.00 C ATOM 312 O LYS A 22 -1.058 -5.309 -8.170 1.00 0.00 O ATOM 313 CB LYS A 22 1.418 -5.427 -10.136 1.00 0.00 C ATOM 314 CG LYS A 22 2.618 -4.993 -10.946 1.00 0.00 C ATOM 315 CD LYS A 22 3.234 -6.172 -11.677 1.00 0.00 C ATOM 316 CE LYS A 22 4.395 -6.773 -10.907 1.00 0.00 C ATOM 317 NZ LYS A 22 4.099 -8.164 -10.468 1.00 0.00 N ATOM 0 H LYS A 22 1.428 -5.761 -7.526 1.00 0.00 H new ATOM 0 HA LYS A 22 1.292 -3.428 -9.338 1.00 0.00 H new ATOM 0 HB2 LYS A 22 1.643 -6.382 -9.662 1.00 0.00 H new ATOM 0 HB3 LYS A 22 0.581 -5.596 -10.814 1.00 0.00 H new ATOM 0 HG2 LYS A 22 2.320 -4.230 -11.665 1.00 0.00 H new ATOM 0 HG3 LYS A 22 3.360 -4.539 -10.289 1.00 0.00 H new ATOM 0 HD2 LYS A 22 2.473 -6.935 -11.840 1.00 0.00 H new ATOM 0 HD3 LYS A 22 3.578 -5.850 -12.660 1.00 0.00 H new ATOM 0 HE2 LYS A 22 5.288 -6.770 -11.533 1.00 0.00 H new ATOM 0 HE3 LYS A 22 4.614 -6.155 -10.036 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 4.987 -8.647 -10.224 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 3.478 -8.140 -9.634 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 3.625 -8.678 -11.238 1.00 0.00 H new ATOM 331 N PHE A 23 -1.260 -3.627 -9.622 1.00 0.00 N ATOM 332 CA PHE A 23 -2.725 -3.635 -9.546 1.00 0.00 C ATOM 333 C PHE A 23 -3.296 -4.471 -10.650 1.00 0.00 C ATOM 334 O PHE A 23 -3.063 -4.227 -11.834 1.00 0.00 O ATOM 335 CB PHE A 23 -3.290 -2.216 -9.605 1.00 0.00 C ATOM 336 CG PHE A 23 -3.291 -1.506 -8.282 1.00 0.00 C ATOM 337 CD1 PHE A 23 -2.139 -0.900 -7.806 1.00 0.00 C ATOM 338 CD2 PHE A 23 -4.443 -1.446 -7.517 1.00 0.00 C ATOM 339 CE1 PHE A 23 -2.139 -0.246 -6.589 1.00 0.00 C ATOM 340 CE2 PHE A 23 -4.448 -0.795 -6.299 1.00 0.00 C ATOM 341 CZ PHE A 23 -3.294 -0.194 -5.834 1.00 0.00 C ATOM 0 H PHE A 23 -0.867 -2.922 -10.246 1.00 0.00 H new ATOM 0 HA PHE A 23 -3.012 -4.070 -8.588 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -2.708 -1.633 -10.319 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -4.311 -2.257 -9.985 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -1.233 -0.939 -8.392 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -5.348 -1.913 -7.877 1.00 0.00 H new ATOM 0 HE1 PHE A 23 -1.236 0.224 -6.228 1.00 0.00 H new ATOM 0 HE2 PHE A 23 -5.353 -0.756 -5.711 1.00 0.00 H new ATOM 0 HZ PHE A 23 -3.295 0.316 -4.882 1.00 0.00 H new ATOM 351 N VAL A 24 -4.004 -5.501 -10.229 1.00 0.00 N ATOM 352 CA VAL A 24 -4.582 -6.444 -11.136 1.00 0.00 C ATOM 353 C VAL A 24 -6.015 -6.817 -10.778 1.00 0.00 C ATOM 354 O VAL A 24 -6.413 -7.981 -10.853 1.00 0.00 O ATOM 355 CB VAL A 24 -3.742 -7.721 -11.184 1.00 0.00 C ATOM 356 CG1 VAL A 24 -2.673 -7.632 -12.261 1.00 0.00 C ATOM 357 CG2 VAL A 24 -3.136 -8.040 -9.839 1.00 0.00 C ATOM 0 H VAL A 24 -4.189 -5.698 -9.245 1.00 0.00 H new ATOM 0 HA VAL A 24 -4.597 -5.955 -12.110 1.00 0.00 H new ATOM 0 HB VAL A 24 -4.411 -8.542 -11.442 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -2.091 -8.553 -12.273 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -3.146 -7.489 -13.232 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -2.014 -6.789 -12.051 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -2.547 -8.954 -9.913 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -2.493 -7.218 -9.525 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -3.930 -8.179 -9.106 1.00 0.00 H new ATOM 367 N GLY A 25 -6.789 -5.805 -10.407 1.00 0.00 N ATOM 368 CA GLY A 25 -8.188 -5.984 -10.061 1.00 0.00 C ATOM 369 C GLY A 25 -8.889 -4.650 -9.912 1.00 0.00 C ATOM 370 O GLY A 25 -8.238 -3.608 -9.830 1.00 0.00 O ATOM 0 H GLY A 25 -6.463 -4.841 -10.338 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -8.684 -6.574 -10.832 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -8.266 -6.545 -9.130 1.00 0.00 H new ATOM 374 N THR A 26 -10.214 -4.674 -9.915 1.00 0.00 N ATOM 375 CA THR A 26 -11.012 -3.455 -9.818 1.00 0.00 C ATOM 376 C THR A 26 -11.539 -3.224 -8.393 1.00 0.00 C ATOM 377 O THR A 26 -11.623 -4.159 -7.595 1.00 0.00 O ATOM 378 CB THR A 26 -12.163 -3.542 -10.819 1.00 0.00 C ATOM 379 OG1 THR A 26 -12.862 -2.318 -10.904 1.00 0.00 O ATOM 380 CG2 THR A 26 -13.161 -4.629 -10.490 1.00 0.00 C ATOM 0 H THR A 26 -10.765 -5.530 -9.984 1.00 0.00 H new ATOM 0 HA THR A 26 -10.378 -2.600 -10.055 1.00 0.00 H new ATOM 0 HB THR A 26 -11.692 -3.782 -11.772 1.00 0.00 H new ATOM 0 HG1 THR A 26 -12.447 -1.751 -11.587 1.00 0.00 H new ATOM 0 HG21 THR A 26 -13.952 -4.636 -11.240 1.00 0.00 H new ATOM 0 HG22 THR A 26 -12.657 -5.596 -10.484 1.00 0.00 H new ATOM 0 HG23 THR A 26 -13.594 -4.440 -9.508 1.00 0.00 H new ATOM 388 N PRO A 27 -11.877 -1.958 -8.046 1.00 0.00 N ATOM 389 CA PRO A 27 -12.363 -1.596 -6.707 1.00 0.00 C ATOM 390 C PRO A 27 -13.837 -1.932 -6.447 1.00 0.00 C ATOM 391 O PRO A 27 -14.734 -1.464 -7.147 1.00 0.00 O ATOM 392 CB PRO A 27 -12.142 -0.088 -6.658 1.00 0.00 C ATOM 393 CG PRO A 27 -12.294 0.354 -8.070 1.00 0.00 C ATOM 394 CD PRO A 27 -11.774 -0.773 -8.923 1.00 0.00 C ATOM 0 HA PRO A 27 -11.837 -2.163 -5.939 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -12.869 0.399 -6.009 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -11.153 0.156 -6.269 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -13.338 0.567 -8.301 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -11.734 1.271 -8.253 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -12.367 -0.894 -9.830 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -10.745 -0.596 -9.236 1.00 0.00 H new ATOM 402 N GLU A 28 -14.055 -2.741 -5.411 1.00 0.00 N ATOM 403 CA GLU A 28 -15.420 -3.135 -5.038 1.00 0.00 C ATOM 404 C GLU A 28 -16.024 -2.130 -4.050 1.00 0.00 C ATOM 405 O GLU A 28 -15.507 -1.950 -2.948 1.00 0.00 O ATOM 406 CB GLU A 28 -15.418 -4.548 -4.435 1.00 0.00 C ATOM 407 CG GLU A 28 -14.928 -4.622 -2.998 1.00 0.00 C ATOM 408 CD GLU A 28 -15.656 -5.680 -2.192 1.00 0.00 C ATOM 409 OE1 GLU A 28 -15.555 -6.872 -2.548 1.00 0.00 O ATOM 410 OE2 GLU A 28 -16.317 -5.315 -1.198 1.00 0.00 O ATOM 0 H GLU A 28 -13.320 -3.133 -4.822 1.00 0.00 H new ATOM 0 HA GLU A 28 -16.036 -3.140 -5.937 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -16.430 -4.950 -4.481 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -14.791 -5.191 -5.052 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -13.859 -4.836 -2.992 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -15.061 -3.651 -2.521 1.00 0.00 H new ATOM 417 N VAL A 29 -17.075 -1.413 -4.462 1.00 0.00 N ATOM 418 CA VAL A 29 -17.647 -0.388 -3.587 1.00 0.00 C ATOM 419 C VAL A 29 -18.995 -0.716 -2.939 1.00 0.00 C ATOM 420 O VAL A 29 -20.030 -0.493 -3.568 1.00 0.00 O ATOM 421 CB VAL A 29 -17.829 0.947 -4.337 1.00 0.00 C ATOM 422 CG1 VAL A 29 -18.000 2.105 -3.363 1.00 0.00 C ATOM 423 CG2 VAL A 29 -16.675 1.207 -5.297 1.00 0.00 C ATOM 0 H VAL A 29 -17.534 -1.518 -5.367 1.00 0.00 H new ATOM 0 HA VAL A 29 -16.910 -0.329 -2.786 1.00 0.00 H new ATOM 0 HB VAL A 29 -18.741 0.869 -4.929 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -18.126 3.033 -3.920 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -18.879 1.932 -2.742 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -17.117 2.180 -2.728 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -16.835 2.156 -5.809 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -15.740 1.249 -4.739 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -16.624 0.403 -6.031 1.00 0.00 H new ATOM 433 N ASN A 30 -19.028 -1.227 -1.707 1.00 0.00 N ATOM 434 CA ASN A 30 -20.327 -1.520 -1.100 1.00 0.00 C ATOM 435 C ASN A 30 -21.032 -0.187 -0.863 1.00 0.00 C ATOM 436 O ASN A 30 -20.405 0.845 -0.623 1.00 0.00 O ATOM 437 CB ASN A 30 -20.209 -2.318 0.194 1.00 0.00 C ATOM 438 CG ASN A 30 -21.400 -3.235 0.404 1.00 0.00 C ATOM 439 OD1 ASN A 30 -22.133 -3.026 1.489 1.00 0.00 O flip ATOM 440 ND2 ASN A 30 -21.655 -4.131 -0.403 1.00 0.00 N flip ATOM 0 H ASN A 30 -18.212 -1.439 -1.133 1.00 0.00 H new ATOM 0 HA ASN A 30 -20.904 -2.151 -1.776 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -19.294 -2.910 0.173 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -20.126 -1.632 1.037 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -21.066 -4.259 -1.226 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -22.455 -4.745 -0.248 1.00 0.00 H new ATOM 447 N GLN A 31 -22.353 -0.269 -0.854 1.00 0.00 N ATOM 448 CA GLN A 31 -23.190 0.887 -0.552 1.00 0.00 C ATOM 449 C GLN A 31 -23.252 1.052 0.952 1.00 0.00 C ATOM 450 O GLN A 31 -23.792 2.041 1.450 1.00 0.00 O ATOM 451 CB GLN A 31 -24.578 0.701 -1.127 1.00 0.00 C ATOM 452 CG GLN A 31 -24.570 0.254 -2.572 1.00 0.00 C ATOM 453 CD GLN A 31 -24.260 1.386 -3.530 1.00 0.00 C ATOM 454 OE1 GLN A 31 -25.163 2.051 -4.037 1.00 0.00 O ATOM 455 NE2 GLN A 31 -22.975 1.614 -3.780 1.00 0.00 N ATOM 0 H GLN A 31 -22.872 -1.125 -1.052 1.00 0.00 H new ATOM 0 HA GLN A 31 -22.763 1.783 -1.003 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -25.116 -0.034 -0.529 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -25.126 1.640 -1.047 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -23.832 -0.538 -2.700 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -25.541 -0.173 -2.822 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -22.259 1.038 -3.337 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -22.704 2.365 -4.414 1.00 0.00 H new ATOM 464 N THR A 32 -22.835 0.035 1.676 1.00 0.00 N ATOM 465 CA THR A 32 -22.985 0.020 3.109 1.00 0.00 C ATOM 466 C THR A 32 -21.739 -0.536 3.734 1.00 0.00 C ATOM 467 O THR A 32 -21.756 -1.492 4.505 1.00 0.00 O ATOM 468 CB THR A 32 -24.242 -0.820 3.439 1.00 0.00 C ATOM 469 OG1 THR A 32 -25.408 -0.029 3.297 1.00 0.00 O ATOM 470 CG2 THR A 32 -24.287 -1.426 4.831 1.00 0.00 C ATOM 0 H THR A 32 -22.387 -0.796 1.289 1.00 0.00 H new ATOM 0 HA THR A 32 -23.121 1.023 3.514 1.00 0.00 H new ATOM 0 HB THR A 32 -24.194 -1.646 2.730 1.00 0.00 H new ATOM 0 HG1 THR A 32 -25.187 0.796 2.816 1.00 0.00 H new ATOM 0 HG21 THR A 32 -25.211 -1.992 4.952 1.00 0.00 H new ATOM 0 HG22 THR A 32 -23.434 -2.090 4.966 1.00 0.00 H new ATOM 0 HG23 THR A 32 -24.249 -0.631 5.575 1.00 0.00 H new ATOM 478 N THR A 33 -20.639 0.069 3.377 1.00 0.00 N ATOM 479 CA THR A 33 -19.369 -0.335 3.882 1.00 0.00 C ATOM 480 C THR A 33 -18.727 0.828 4.503 1.00 0.00 C ATOM 481 O THR A 33 -18.138 0.717 5.573 1.00 0.00 O ATOM 482 CB THR A 33 -18.425 -0.777 2.770 1.00 0.00 C ATOM 483 OG1 THR A 33 -17.076 -0.535 3.125 1.00 0.00 O ATOM 484 CG2 THR A 33 -18.675 -0.091 1.432 1.00 0.00 C ATOM 0 H THR A 33 -20.605 0.855 2.728 1.00 0.00 H new ATOM 0 HA THR A 33 -19.543 -1.159 4.574 1.00 0.00 H new ATOM 0 HB THR A 33 -18.623 -1.842 2.650 1.00 0.00 H new ATOM 0 HG1 THR A 33 -16.765 -1.242 3.728 1.00 0.00 H new ATOM 0 HG21 THR A 33 -17.962 -0.461 0.695 1.00 0.00 H new ATOM 0 HG22 THR A 33 -19.689 -0.307 1.096 1.00 0.00 H new ATOM 0 HG23 THR A 33 -18.553 0.986 1.547 1.00 0.00 H new ATOM 492 N LEU A 34 -18.665 1.892 3.701 1.00 0.00 N ATOM 493 CA LEU A 34 -17.871 3.039 4.063 1.00 0.00 C ATOM 494 C LEU A 34 -16.478 2.876 3.511 1.00 0.00 C ATOM 495 O LEU A 34 -15.670 3.791 3.610 1.00 0.00 O ATOM 496 CB LEU A 34 -17.794 3.270 5.550 1.00 0.00 C ATOM 497 CG LEU A 34 -18.745 4.326 6.075 1.00 0.00 C ATOM 498 CD1 LEU A 34 -18.735 4.346 7.592 1.00 0.00 C ATOM 499 CD2 LEU A 34 -18.329 5.678 5.504 1.00 0.00 C ATOM 0 H LEU A 34 -19.153 1.972 2.809 1.00 0.00 H new ATOM 0 HA LEU A 34 -18.364 3.911 3.634 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -17.998 2.329 6.061 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -16.775 3.558 5.807 1.00 0.00 H new ATOM 0 HG LEU A 34 -19.764 4.099 5.762 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -19.424 5.111 7.950 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -19.045 3.372 7.971 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -17.729 4.570 7.946 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -19.003 6.451 5.872 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -17.310 5.907 5.816 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -18.376 5.643 4.416 1.00 0.00 H new ATOM 511 N TYR A 35 -16.207 1.694 2.968 1.00 0.00 N ATOM 512 CA TYR A 35 -14.905 1.349 2.393 1.00 0.00 C ATOM 513 C TYR A 35 -15.017 0.455 1.177 1.00 0.00 C ATOM 514 O TYR A 35 -16.068 -0.110 0.884 1.00 0.00 O ATOM 515 CB TYR A 35 -13.963 0.746 3.422 1.00 0.00 C ATOM 516 CG TYR A 35 -14.613 -0.073 4.485 1.00 0.00 C ATOM 517 CD1 TYR A 35 -15.242 0.541 5.548 1.00 0.00 C ATOM 518 CD2 TYR A 35 -14.561 -1.442 4.447 1.00 0.00 C ATOM 519 CE1 TYR A 35 -15.809 -0.197 6.553 1.00 0.00 C ATOM 520 CE2 TYR A 35 -15.132 -2.203 5.445 1.00 0.00 C ATOM 521 CZ TYR A 35 -15.756 -1.576 6.500 1.00 0.00 C ATOM 522 OH TYR A 35 -16.318 -2.327 7.507 1.00 0.00 O ATOM 0 H TYR A 35 -16.890 0.938 2.912 1.00 0.00 H new ATOM 0 HA TYR A 35 -14.474 2.293 2.059 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -13.235 0.123 2.902 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -13.408 1.554 3.899 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -15.288 1.619 5.588 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -14.065 -1.932 3.622 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -16.295 0.297 7.382 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -15.090 -3.281 5.400 1.00 0.00 H new ATOM 0 HH TYR A 35 -16.193 -3.280 7.313 1.00 0.00 H new ATOM 532 N GLN A 36 -13.922 0.384 0.448 1.00 0.00 N ATOM 533 CA GLN A 36 -13.855 -0.373 -0.779 1.00 0.00 C ATOM 534 C GLN A 36 -12.635 -1.285 -0.801 1.00 0.00 C ATOM 535 O GLN A 36 -11.876 -1.340 0.165 1.00 0.00 O ATOM 536 CB GLN A 36 -13.775 0.624 -1.919 1.00 0.00 C ATOM 537 CG GLN A 36 -14.999 1.499 -2.036 1.00 0.00 C ATOM 538 CD GLN A 36 -14.693 2.868 -2.609 1.00 0.00 C ATOM 539 OE1 GLN A 36 -14.947 3.890 -1.976 1.00 0.00 O ATOM 540 NE2 GLN A 36 -14.148 2.894 -3.818 1.00 0.00 N ATOM 0 H GLN A 36 -13.050 0.853 0.694 1.00 0.00 H new ATOM 0 HA GLN A 36 -14.735 -1.009 -0.871 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -12.898 1.256 -1.779 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -13.633 0.084 -2.855 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -15.735 1.002 -2.668 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -15.451 1.616 -1.051 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -13.954 2.021 -4.309 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -13.923 3.787 -4.257 1.00 0.00 H new ATOM 549 N ARG A 37 -12.441 -1.985 -1.912 1.00 0.00 N ATOM 550 CA ARG A 37 -11.295 -2.872 -2.050 1.00 0.00 C ATOM 551 C ARG A 37 -10.766 -2.881 -3.470 1.00 0.00 C ATOM 552 O ARG A 37 -11.522 -2.807 -4.429 1.00 0.00 O ATOM 553 CB ARG A 37 -11.635 -4.313 -1.672 1.00 0.00 C ATOM 554 CG ARG A 37 -12.118 -4.494 -0.255 1.00 0.00 C ATOM 555 CD ARG A 37 -13.627 -4.477 -0.201 1.00 0.00 C ATOM 556 NE ARG A 37 -14.136 -4.756 1.131 1.00 0.00 N ATOM 557 CZ ARG A 37 -13.905 -3.980 2.176 1.00 0.00 C ATOM 558 NH1 ARG A 37 -13.225 -2.847 2.025 1.00 0.00 N ATOM 559 NH2 ARG A 37 -14.370 -4.325 3.367 1.00 0.00 N ATOM 0 H ARG A 37 -13.058 -1.956 -2.724 1.00 0.00 H new ATOM 0 HA ARG A 37 -10.538 -2.483 -1.369 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -12.402 -4.682 -2.353 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -10.751 -4.932 -1.822 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -11.745 -5.437 0.144 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -11.717 -3.700 0.376 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -13.989 -3.502 -0.529 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -14.021 -5.215 -0.900 1.00 0.00 H new ATOM 0 HE ARG A 37 -14.701 -5.594 1.267 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -12.882 -2.577 1.103 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -13.047 -2.248 2.831 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -14.904 -5.187 3.476 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -14.194 -3.729 4.176 1.00 0.00 H new ATOM 573 N TYR A 38 -9.462 -3.039 -3.572 1.00 0.00 N ATOM 574 CA TYR A 38 -8.781 -3.145 -4.859 1.00 0.00 C ATOM 575 C TYR A 38 -7.978 -4.437 -4.858 1.00 0.00 C ATOM 576 O TYR A 38 -7.518 -4.859 -3.799 1.00 0.00 O ATOM 577 CB TYR A 38 -7.801 -1.971 -5.073 1.00 0.00 C ATOM 578 CG TYR A 38 -8.307 -0.812 -5.918 1.00 0.00 C ATOM 579 CD1 TYR A 38 -8.470 -0.943 -7.291 1.00 0.00 C ATOM 580 CD2 TYR A 38 -8.578 0.430 -5.346 1.00 0.00 C ATOM 581 CE1 TYR A 38 -8.890 0.123 -8.065 1.00 0.00 C ATOM 582 CE2 TYR A 38 -9.005 1.495 -6.114 1.00 0.00 C ATOM 583 CZ TYR A 38 -9.159 1.337 -7.472 1.00 0.00 C ATOM 584 OH TYR A 38 -9.569 2.402 -8.244 1.00 0.00 O ATOM 0 H TYR A 38 -8.838 -3.098 -2.767 1.00 0.00 H new ATOM 0 HA TYR A 38 -9.526 -3.127 -5.655 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -7.516 -1.582 -4.096 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -6.896 -2.362 -5.537 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -8.265 -1.893 -7.762 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -8.452 0.562 -4.282 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -9.007 0.004 -9.132 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -9.217 2.447 -5.651 1.00 0.00 H new ATOM 0 HH TYR A 38 -9.718 3.183 -7.671 1.00 0.00 H new ATOM 594 N GLU A 39 -7.788 -5.074 -6.008 1.00 0.00 N ATOM 595 CA GLU A 39 -7.025 -6.314 -6.083 1.00 0.00 C ATOM 596 C GLU A 39 -5.657 -5.989 -6.635 1.00 0.00 C ATOM 597 O GLU A 39 -5.540 -5.101 -7.482 1.00 0.00 O ATOM 598 CB GLU A 39 -7.724 -7.347 -6.975 1.00 0.00 C ATOM 599 CG GLU A 39 -9.217 -7.508 -6.710 1.00 0.00 C ATOM 600 CD GLU A 39 -9.794 -8.745 -7.374 1.00 0.00 C ATOM 601 OE1 GLU A 39 -9.750 -8.826 -8.618 1.00 0.00 O ATOM 602 OE2 GLU A 39 -10.287 -9.636 -6.648 1.00 0.00 O ATOM 0 H GLU A 39 -8.153 -4.751 -6.904 1.00 0.00 H new ATOM 0 HA GLU A 39 -6.943 -6.750 -5.087 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -7.582 -7.063 -8.018 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -7.238 -8.313 -6.839 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -9.388 -7.563 -5.635 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -9.744 -6.625 -7.072 1.00 0.00 H new ATOM 609 N ILE A 40 -4.610 -6.649 -6.155 1.00 0.00 N ATOM 610 CA ILE A 40 -3.288 -6.303 -6.645 1.00 0.00 C ATOM 611 C ILE A 40 -2.268 -7.435 -6.668 1.00 0.00 C ATOM 612 O ILE A 40 -2.190 -8.261 -5.758 1.00 0.00 O ATOM 613 CB ILE A 40 -2.656 -5.220 -5.761 1.00 0.00 C ATOM 614 CG1 ILE A 40 -2.608 -5.715 -4.305 1.00 0.00 C ATOM 615 CG2 ILE A 40 -3.382 -3.884 -5.904 1.00 0.00 C ATOM 616 CD1 ILE A 40 -3.607 -5.072 -3.377 1.00 0.00 C ATOM 0 H ILE A 40 -4.646 -7.393 -5.459 1.00 0.00 H new ATOM 0 HA ILE A 40 -3.483 -5.989 -7.670 1.00 0.00 H new ATOM 0 HB ILE A 40 -1.633 -5.037 -6.091 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -2.771 -6.793 -4.299 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -1.606 -5.542 -3.912 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -2.907 -3.141 -5.263 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -3.334 -3.553 -6.941 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -4.425 -4.003 -5.609 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -3.493 -5.487 -2.376 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -3.434 -3.996 -3.345 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -4.617 -5.267 -3.738 1.00 0.00 H new ATOM 628 N LYS A 41 -1.507 -7.454 -7.749 1.00 0.00 N ATOM 629 CA LYS A 41 -0.497 -8.477 -7.937 1.00 0.00 C ATOM 630 C LYS A 41 0.648 -8.171 -6.982 1.00 0.00 C ATOM 631 O LYS A 41 1.633 -7.537 -7.358 1.00 0.00 O ATOM 632 CB LYS A 41 0.048 -8.459 -9.379 1.00 0.00 C ATOM 633 CG LYS A 41 -0.374 -9.654 -10.230 1.00 0.00 C ATOM 634 CD LYS A 41 -0.053 -10.983 -9.559 1.00 0.00 C ATOM 635 CE LYS A 41 -1.240 -11.507 -8.764 1.00 0.00 C ATOM 636 NZ LYS A 41 -1.400 -12.982 -8.900 1.00 0.00 N ATOM 0 H LYS A 41 -1.570 -6.774 -8.507 1.00 0.00 H new ATOM 0 HA LYS A 41 -0.934 -9.457 -7.747 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -0.286 -7.544 -9.869 1.00 0.00 H new ATOM 0 HB3 LYS A 41 1.137 -8.422 -9.342 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -1.445 -9.598 -10.426 1.00 0.00 H new ATOM 0 HG3 LYS A 41 0.130 -9.606 -11.195 1.00 0.00 H new ATOM 0 HD2 LYS A 41 0.231 -11.715 -10.315 1.00 0.00 H new ATOM 0 HD3 LYS A 41 0.804 -10.860 -8.897 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -1.112 -11.252 -7.712 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -2.150 -11.012 -9.103 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -2.220 -13.295 -8.342 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -1.549 -13.224 -9.900 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -0.543 -13.458 -8.552 1.00 0.00 H new ATOM 650 N MET A 42 0.496 -8.607 -5.726 1.00 0.00 N ATOM 651 CA MET A 42 1.500 -8.353 -4.707 1.00 0.00 C ATOM 652 C MET A 42 2.823 -8.960 -5.098 1.00 0.00 C ATOM 653 O MET A 42 2.957 -10.179 -5.207 1.00 0.00 O ATOM 654 CB MET A 42 1.040 -8.892 -3.354 1.00 0.00 C ATOM 655 CG MET A 42 1.966 -8.519 -2.207 1.00 0.00 C ATOM 656 SD MET A 42 3.236 -9.762 -1.907 1.00 0.00 S ATOM 657 CE MET A 42 2.232 -11.231 -1.721 1.00 0.00 C ATOM 0 H MET A 42 -0.313 -9.135 -5.399 1.00 0.00 H new ATOM 0 HA MET A 42 1.633 -7.275 -4.620 1.00 0.00 H new ATOM 0 HB2 MET A 42 0.040 -8.513 -3.142 1.00 0.00 H new ATOM 0 HB3 MET A 42 0.964 -9.978 -3.411 1.00 0.00 H new ATOM 0 HG2 MET A 42 2.443 -7.564 -2.426 1.00 0.00 H new ATOM 0 HG3 MET A 42 1.377 -8.381 -1.300 1.00 0.00 H new ATOM 0 HE1 MET A 42 2.711 -11.912 -1.017 1.00 0.00 H new ATOM 0 HE2 MET A 42 1.247 -10.954 -1.345 1.00 0.00 H new ATOM 0 HE3 MET A 42 2.125 -11.724 -2.687 1.00 0.00 H new ATOM 667 N THR A 43 3.798 -8.099 -5.323 1.00 0.00 N ATOM 668 CA THR A 43 5.106 -8.546 -5.721 1.00 0.00 C ATOM 669 C THR A 43 5.895 -9.090 -4.530 1.00 0.00 C ATOM 670 O THR A 43 6.202 -10.280 -4.484 1.00 0.00 O ATOM 671 CB THR A 43 5.871 -7.430 -6.426 1.00 0.00 C ATOM 672 OG1 THR A 43 5.367 -6.163 -6.060 1.00 0.00 O ATOM 673 CG2 THR A 43 5.789 -7.525 -7.931 1.00 0.00 C ATOM 0 H THR A 43 3.702 -7.087 -5.235 1.00 0.00 H new ATOM 0 HA THR A 43 4.977 -9.365 -6.429 1.00 0.00 H new ATOM 0 HB THR A 43 6.909 -7.547 -6.113 1.00 0.00 H new ATOM 0 HG1 THR A 43 5.194 -5.634 -6.867 1.00 0.00 H new ATOM 0 HG21 THR A 43 6.351 -6.706 -8.378 1.00 0.00 H new ATOM 0 HG22 THR A 43 6.210 -8.476 -8.259 1.00 0.00 H new ATOM 0 HG23 THR A 43 4.747 -7.463 -8.243 1.00 0.00 H new ATOM 681 N LYS A 44 6.190 -8.237 -3.538 1.00 0.00 N ATOM 682 CA LYS A 44 6.892 -8.648 -2.328 1.00 0.00 C ATOM 683 C LYS A 44 6.467 -7.742 -1.174 1.00 0.00 C ATOM 684 O LYS A 44 6.124 -6.578 -1.384 1.00 0.00 O ATOM 685 CB LYS A 44 8.410 -8.580 -2.507 1.00 0.00 C ATOM 686 CG LYS A 44 8.889 -7.292 -3.151 1.00 0.00 C ATOM 687 CD LYS A 44 10.301 -7.431 -3.691 1.00 0.00 C ATOM 688 CE LYS A 44 10.288 -7.705 -5.183 1.00 0.00 C ATOM 689 NZ LYS A 44 9.781 -9.070 -5.493 1.00 0.00 N ATOM 0 H LYS A 44 5.946 -7.247 -3.558 1.00 0.00 H new ATOM 0 HA LYS A 44 6.630 -9.684 -2.112 1.00 0.00 H new ATOM 0 HB2 LYS A 44 8.887 -8.689 -1.533 1.00 0.00 H new ATOM 0 HB3 LYS A 44 8.734 -9.424 -3.117 1.00 0.00 H new ATOM 0 HG2 LYS A 44 8.214 -7.016 -3.961 1.00 0.00 H new ATOM 0 HG3 LYS A 44 8.856 -6.484 -2.420 1.00 0.00 H new ATOM 0 HD2 LYS A 44 10.862 -6.519 -3.490 1.00 0.00 H new ATOM 0 HD3 LYS A 44 10.814 -8.241 -3.173 1.00 0.00 H new ATOM 0 HE2 LYS A 44 9.664 -6.964 -5.683 1.00 0.00 H new ATOM 0 HE3 LYS A 44 11.296 -7.593 -5.581 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 9.914 -9.268 -6.505 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 10.305 -9.771 -4.931 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 8.769 -9.126 -5.259 1.00 0.00 H new ATOM 703 N MET A 45 6.482 -8.276 0.036 1.00 0.00 N ATOM 704 CA MET A 45 6.093 -7.509 1.216 1.00 0.00 C ATOM 705 C MET A 45 7.323 -6.979 1.923 1.00 0.00 C ATOM 706 O MET A 45 8.302 -7.709 2.078 1.00 0.00 O ATOM 707 CB MET A 45 5.274 -8.382 2.176 1.00 0.00 C ATOM 708 CG MET A 45 6.029 -9.583 2.726 1.00 0.00 C ATOM 709 SD MET A 45 6.124 -10.965 1.567 1.00 0.00 S ATOM 710 CE MET A 45 4.390 -11.311 1.284 1.00 0.00 C ATOM 0 H MET A 45 6.759 -9.238 0.231 1.00 0.00 H new ATOM 0 HA MET A 45 5.478 -6.668 0.895 1.00 0.00 H new ATOM 0 HB2 MET A 45 4.936 -7.767 3.010 1.00 0.00 H new ATOM 0 HB3 MET A 45 4.382 -8.734 1.658 1.00 0.00 H new ATOM 0 HG2 MET A 45 7.039 -9.275 2.996 1.00 0.00 H new ATOM 0 HG3 MET A 45 5.543 -9.920 3.642 1.00 0.00 H new ATOM 0 HE1 MET A 45 4.292 -12.228 0.703 1.00 0.00 H new ATOM 0 HE2 MET A 45 3.882 -11.432 2.241 1.00 0.00 H new ATOM 0 HE3 MET A 45 3.939 -10.484 0.736 1.00 0.00 H new ATOM 720 N TYR A 46 7.303 -5.721 2.368 1.00 0.00 N ATOM 721 CA TYR A 46 8.434 -5.140 3.055 1.00 0.00 C ATOM 722 C TYR A 46 8.138 -5.092 4.546 1.00 0.00 C ATOM 723 O TYR A 46 8.995 -5.413 5.366 1.00 0.00 O ATOM 724 CB TYR A 46 8.756 -3.756 2.474 1.00 0.00 C ATOM 725 CG TYR A 46 9.035 -3.790 0.973 1.00 0.00 C ATOM 726 CD1 TYR A 46 8.088 -4.272 0.084 1.00 0.00 C ATOM 727 CD2 TYR A 46 10.246 -3.352 0.445 1.00 0.00 C ATOM 728 CE1 TYR A 46 8.338 -4.314 -1.272 1.00 0.00 C ATOM 729 CE2 TYR A 46 10.500 -3.388 -0.907 1.00 0.00 C ATOM 730 CZ TYR A 46 9.542 -3.871 -1.763 1.00 0.00 C ATOM 731 OH TYR A 46 9.788 -3.913 -3.113 1.00 0.00 O ATOM 0 H TYR A 46 6.508 -5.091 2.259 1.00 0.00 H new ATOM 0 HA TYR A 46 9.322 -5.755 2.909 1.00 0.00 H new ATOM 0 HB2 TYR A 46 7.921 -3.083 2.668 1.00 0.00 H new ATOM 0 HB3 TYR A 46 9.623 -3.344 2.990 1.00 0.00 H new ATOM 0 HD1 TYR A 46 7.137 -4.621 0.459 1.00 0.00 H new ATOM 0 HD2 TYR A 46 11.006 -2.974 1.113 1.00 0.00 H new ATOM 0 HE1 TYR A 46 7.587 -4.695 -1.948 1.00 0.00 H new ATOM 0 HE2 TYR A 46 11.447 -3.039 -1.292 1.00 0.00 H new ATOM 0 HH TYR A 46 10.438 -3.219 -3.349 1.00 0.00 H new ATOM 741 N LYS A 47 6.908 -4.728 4.895 1.00 0.00 N ATOM 742 CA LYS A 47 6.477 -4.675 6.283 1.00 0.00 C ATOM 743 C LYS A 47 5.125 -5.371 6.431 1.00 0.00 C ATOM 744 O LYS A 47 4.173 -5.047 5.725 1.00 0.00 O ATOM 745 CB LYS A 47 6.368 -3.233 6.764 1.00 0.00 C ATOM 746 CG LYS A 47 6.773 -3.049 8.218 1.00 0.00 C ATOM 747 CD LYS A 47 5.910 -2.007 8.912 1.00 0.00 C ATOM 748 CE LYS A 47 5.178 -2.592 10.111 1.00 0.00 C ATOM 749 NZ LYS A 47 5.478 -1.844 11.361 1.00 0.00 N ATOM 0 H LYS A 47 6.186 -4.463 4.225 1.00 0.00 H new ATOM 0 HA LYS A 47 7.221 -5.187 6.894 1.00 0.00 H new ATOM 0 HB2 LYS A 47 6.996 -2.600 6.137 1.00 0.00 H new ATOM 0 HB3 LYS A 47 5.341 -2.891 6.635 1.00 0.00 H new ATOM 0 HG2 LYS A 47 6.688 -4.000 8.743 1.00 0.00 H new ATOM 0 HG3 LYS A 47 7.819 -2.748 8.270 1.00 0.00 H new ATOM 0 HD2 LYS A 47 6.535 -1.175 9.237 1.00 0.00 H new ATOM 0 HD3 LYS A 47 5.186 -1.604 8.204 1.00 0.00 H new ATOM 0 HE2 LYS A 47 4.104 -2.574 9.925 1.00 0.00 H new ATOM 0 HE3 LYS A 47 5.462 -3.637 10.236 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 5.178 -2.406 12.183 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 6.500 -1.663 11.420 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 4.966 -0.939 11.355 1.00 0.00 H new ATOM 763 N GLY A 48 5.053 -6.357 7.313 1.00 0.00 N ATOM 764 CA GLY A 48 3.829 -7.119 7.507 1.00 0.00 C ATOM 765 C GLY A 48 4.115 -8.559 7.887 1.00 0.00 C ATOM 766 O GLY A 48 3.192 -9.322 8.166 1.00 0.00 O ATOM 0 H GLY A 48 5.830 -6.648 7.907 1.00 0.00 H new ATOM 0 HA2 GLY A 48 3.229 -6.650 8.287 1.00 0.00 H new ATOM 0 HA3 GLY A 48 3.237 -7.095 6.592 1.00 0.00 H new ATOM 770 N PHE A 49 5.395 -8.941 7.863 1.00 0.00 N ATOM 771 CA PHE A 49 5.814 -10.304 8.172 1.00 0.00 C ATOM 772 C PHE A 49 5.069 -10.862 9.387 1.00 0.00 C ATOM 773 O PHE A 49 4.522 -11.962 9.331 1.00 0.00 O ATOM 774 CB PHE A 49 7.321 -10.322 8.435 1.00 0.00 C ATOM 775 CG PHE A 49 8.148 -9.844 7.271 1.00 0.00 C ATOM 776 CD1 PHE A 49 8.386 -10.672 6.186 1.00 0.00 C ATOM 777 CD2 PHE A 49 8.695 -8.570 7.269 1.00 0.00 C ATOM 778 CE1 PHE A 49 9.153 -10.239 5.120 1.00 0.00 C ATOM 779 CE2 PHE A 49 9.464 -8.133 6.205 1.00 0.00 C ATOM 780 CZ PHE A 49 9.693 -8.968 5.130 1.00 0.00 C ATOM 0 H PHE A 49 6.165 -8.314 7.629 1.00 0.00 H new ATOM 0 HA PHE A 49 5.575 -10.936 7.317 1.00 0.00 H new ATOM 0 HB2 PHE A 49 7.536 -9.698 9.302 1.00 0.00 H new ATOM 0 HB3 PHE A 49 7.623 -11.338 8.691 1.00 0.00 H new ATOM 0 HD1 PHE A 49 7.967 -11.668 6.173 1.00 0.00 H new ATOM 0 HD2 PHE A 49 8.519 -7.912 8.107 1.00 0.00 H new ATOM 0 HE1 PHE A 49 9.330 -10.894 4.280 1.00 0.00 H new ATOM 0 HE2 PHE A 49 9.885 -7.139 6.216 1.00 0.00 H new ATOM 0 HZ PHE A 49 10.293 -8.628 4.299 1.00 0.00 H new ATOM 790 N GLN A 50 5.027 -10.104 10.476 1.00 0.00 N ATOM 791 CA GLN A 50 4.304 -10.562 11.660 1.00 0.00 C ATOM 792 C GLN A 50 2.844 -10.859 11.297 1.00 0.00 C ATOM 793 O GLN A 50 2.189 -11.679 11.940 1.00 0.00 O ATOM 794 CB GLN A 50 4.384 -9.530 12.784 1.00 0.00 C ATOM 795 CG GLN A 50 3.886 -8.153 12.389 1.00 0.00 C ATOM 796 CD GLN A 50 4.750 -7.045 12.955 1.00 0.00 C ATOM 797 OE1 GLN A 50 5.391 -6.301 12.214 1.00 0.00 O ATOM 798 NE2 GLN A 50 4.775 -6.936 14.279 1.00 0.00 N ATOM 0 H GLN A 50 5.473 -9.191 10.566 1.00 0.00 H new ATOM 0 HA GLN A 50 4.771 -11.479 12.019 1.00 0.00 H new ATOM 0 HB2 GLN A 50 3.802 -9.886 13.634 1.00 0.00 H new ATOM 0 HB3 GLN A 50 5.419 -9.450 13.118 1.00 0.00 H new ATOM 0 HG2 GLN A 50 3.865 -8.075 11.302 1.00 0.00 H new ATOM 0 HG3 GLN A 50 2.861 -8.026 12.738 1.00 0.00 H new ATOM 0 HE21 GLN A 50 4.227 -7.576 14.854 1.00 0.00 H new ATOM 0 HE22 GLN A 50 5.342 -6.212 14.721 1.00 0.00 H new ATOM 807 N ALA A 51 2.359 -10.213 10.233 1.00 0.00 N ATOM 808 CA ALA A 51 1.002 -10.414 9.728 1.00 0.00 C ATOM 809 C ALA A 51 1.015 -11.455 8.596 1.00 0.00 C ATOM 810 O ALA A 51 -0.038 -11.927 8.165 1.00 0.00 O ATOM 811 CB ALA A 51 0.413 -9.094 9.246 1.00 0.00 C ATOM 0 H ALA A 51 2.900 -9.534 9.697 1.00 0.00 H new ATOM 0 HA ALA A 51 0.373 -10.788 10.536 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -0.598 -9.261 8.873 1.00 0.00 H new ATOM 0 HB2 ALA A 51 0.382 -8.386 10.074 1.00 0.00 H new ATOM 0 HB3 ALA A 51 1.033 -8.690 8.446 1.00 0.00 H new ATOM 817 N LEU A 52 2.216 -11.813 8.136 1.00 0.00 N ATOM 818 CA LEU A 52 2.410 -12.800 7.083 1.00 0.00 C ATOM 819 C LEU A 52 2.043 -14.165 7.621 1.00 0.00 C ATOM 820 O LEU A 52 2.888 -15.040 7.813 1.00 0.00 O ATOM 821 CB LEU A 52 3.861 -12.794 6.605 1.00 0.00 C ATOM 822 CG LEU A 52 4.104 -12.092 5.269 1.00 0.00 C ATOM 823 CD1 LEU A 52 3.958 -10.585 5.427 1.00 0.00 C ATOM 824 CD2 LEU A 52 5.481 -12.450 4.724 1.00 0.00 C ATOM 0 H LEU A 52 3.087 -11.419 8.491 1.00 0.00 H new ATOM 0 HA LEU A 52 1.773 -12.555 6.233 1.00 0.00 H new ATOM 0 HB2 LEU A 52 4.475 -12.314 7.366 1.00 0.00 H new ATOM 0 HB3 LEU A 52 4.204 -13.825 6.523 1.00 0.00 H new ATOM 0 HG LEU A 52 3.356 -12.433 4.554 1.00 0.00 H new ATOM 0 HD11 LEU A 52 4.134 -10.100 4.467 1.00 0.00 H new ATOM 0 HD12 LEU A 52 2.951 -10.351 5.772 1.00 0.00 H new ATOM 0 HD13 LEU A 52 4.684 -10.223 6.155 1.00 0.00 H new ATOM 0 HD21 LEU A 52 5.639 -11.942 3.772 1.00 0.00 H new ATOM 0 HD22 LEU A 52 6.246 -12.136 5.434 1.00 0.00 H new ATOM 0 HD23 LEU A 52 5.544 -13.528 4.575 1.00 0.00 H new ATOM 836 N GLY A 53 0.766 -14.306 7.881 1.00 0.00 N ATOM 837 CA GLY A 53 0.227 -15.537 8.429 1.00 0.00 C ATOM 838 C GLY A 53 0.625 -16.744 7.629 1.00 0.00 C ATOM 839 O GLY A 53 1.303 -17.639 8.132 1.00 0.00 O ATOM 0 H GLY A 53 0.070 -13.577 7.721 1.00 0.00 H new ATOM 0 HA2 GLY A 53 0.572 -15.656 9.456 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -0.860 -15.470 8.464 1.00 0.00 H new ATOM 843 N ASP A 54 0.293 -16.719 6.358 1.00 0.00 N ATOM 844 CA ASP A 54 0.713 -17.766 5.464 1.00 0.00 C ATOM 845 C ASP A 54 1.956 -17.252 4.772 1.00 0.00 C ATOM 846 O ASP A 54 3.081 -17.489 5.214 1.00 0.00 O ATOM 847 CB ASP A 54 -0.384 -18.129 4.455 1.00 0.00 C ATOM 848 CG ASP A 54 -0.922 -19.530 4.673 1.00 0.00 C ATOM 849 OD1 ASP A 54 -1.845 -19.690 5.498 1.00 0.00 O ATOM 850 OD2 ASP A 54 -0.418 -20.468 4.020 1.00 0.00 O ATOM 0 H ASP A 54 -0.266 -15.985 5.924 1.00 0.00 H new ATOM 0 HA ASP A 54 0.918 -18.686 6.011 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -1.201 -17.412 4.535 1.00 0.00 H new ATOM 0 HB3 ASP A 54 0.014 -18.048 3.443 1.00 0.00 H new ATOM 855 N ALA A 55 1.737 -16.514 3.713 1.00 0.00 N ATOM 856 CA ALA A 55 2.812 -15.896 2.971 1.00 0.00 C ATOM 857 C ALA A 55 2.340 -14.606 2.336 1.00 0.00 C ATOM 858 O ALA A 55 3.064 -13.618 2.264 1.00 0.00 O ATOM 859 CB ALA A 55 3.325 -16.843 1.915 1.00 0.00 C ATOM 0 H ALA A 55 0.808 -16.323 3.339 1.00 0.00 H new ATOM 0 HA ALA A 55 3.625 -15.665 3.660 1.00 0.00 H new ATOM 0 HB1 ALA A 55 4.135 -16.367 1.362 1.00 0.00 H new ATOM 0 HB2 ALA A 55 3.695 -17.752 2.390 1.00 0.00 H new ATOM 0 HB3 ALA A 55 2.516 -17.096 1.229 1.00 0.00 H new ATOM 865 N ALA A 56 1.114 -14.667 1.829 1.00 0.00 N ATOM 866 CA ALA A 56 0.495 -13.543 1.135 1.00 0.00 C ATOM 867 C ALA A 56 -0.759 -13.058 1.841 1.00 0.00 C ATOM 868 O ALA A 56 -1.869 -13.455 1.490 1.00 0.00 O ATOM 869 CB ALA A 56 0.169 -13.943 -0.297 1.00 0.00 C ATOM 0 H ALA A 56 0.522 -15.495 1.887 1.00 0.00 H new ATOM 0 HA ALA A 56 1.207 -12.718 1.135 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -0.293 -13.102 -0.813 1.00 0.00 H new ATOM 0 HB2 ALA A 56 1.086 -14.226 -0.813 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -0.520 -14.788 -0.291 1.00 0.00 H new ATOM 875 N ASP A 57 -0.583 -12.205 2.834 1.00 0.00 N ATOM 876 CA ASP A 57 -1.722 -11.678 3.583 1.00 0.00 C ATOM 877 C ASP A 57 -2.090 -10.258 3.148 1.00 0.00 C ATOM 878 O ASP A 57 -2.742 -9.528 3.896 1.00 0.00 O ATOM 879 CB ASP A 57 -1.431 -11.708 5.086 1.00 0.00 C ATOM 880 CG ASP A 57 -0.393 -10.685 5.504 1.00 0.00 C ATOM 881 OD1 ASP A 57 0.808 -10.918 5.248 1.00 0.00 O ATOM 882 OD2 ASP A 57 -0.779 -9.651 6.087 1.00 0.00 O ATOM 0 H ASP A 57 0.327 -11.862 3.143 1.00 0.00 H new ATOM 0 HA ASP A 57 -2.576 -12.320 3.366 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -2.355 -11.526 5.634 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -1.086 -12.704 5.365 1.00 0.00 H new ATOM 887 N ILE A 58 -1.682 -9.864 1.942 1.00 0.00 N ATOM 888 CA ILE A 58 -1.989 -8.523 1.439 1.00 0.00 C ATOM 889 C ILE A 58 -2.136 -8.513 -0.072 1.00 0.00 C ATOM 890 O ILE A 58 -1.183 -8.185 -0.782 1.00 0.00 O ATOM 891 CB ILE A 58 -0.880 -7.506 1.785 1.00 0.00 C ATOM 892 CG1 ILE A 58 -0.285 -7.768 3.166 1.00 0.00 C ATOM 893 CG2 ILE A 58 -1.421 -6.085 1.697 1.00 0.00 C ATOM 894 CD1 ILE A 58 1.205 -8.042 3.135 1.00 0.00 C ATOM 0 H ILE A 58 -1.144 -10.446 1.300 1.00 0.00 H new ATOM 0 HA ILE A 58 -2.925 -8.241 1.921 1.00 0.00 H new ATOM 0 HB ILE A 58 -0.079 -7.626 1.055 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -0.476 -6.906 3.805 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -0.794 -8.619 3.618 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -0.629 -5.378 1.943 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -1.777 -5.893 0.685 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -2.245 -5.965 2.400 1.00 0.00 H new ATOM 0 HD11 ILE A 58 1.563 -8.220 4.149 1.00 0.00 H new ATOM 0 HD12 ILE A 58 1.401 -8.922 2.522 1.00 0.00 H new ATOM 0 HD13 ILE A 58 1.724 -7.182 2.712 1.00 0.00 H new ATOM 906 N ARG A 59 -3.296 -8.899 -0.592 1.00 0.00 N ATOM 907 CA ARG A 59 -3.476 -8.937 -2.036 1.00 0.00 C ATOM 908 C ARG A 59 -4.583 -8.008 -2.544 1.00 0.00 C ATOM 909 O ARG A 59 -4.885 -7.936 -3.737 1.00 0.00 O ATOM 910 CB ARG A 59 -3.760 -10.374 -2.507 1.00 0.00 C ATOM 911 CG ARG A 59 -3.893 -11.395 -1.383 1.00 0.00 C ATOM 912 CD ARG A 59 -3.507 -12.786 -1.853 1.00 0.00 C ATOM 913 NE ARG A 59 -3.688 -13.785 -0.803 1.00 0.00 N ATOM 914 CZ ARG A 59 -4.875 -14.247 -0.416 1.00 0.00 C ATOM 915 NH1 ARG A 59 -5.989 -13.793 -0.978 1.00 0.00 N ATOM 916 NH2 ARG A 59 -4.948 -15.164 0.538 1.00 0.00 N ATOM 0 H ARG A 59 -4.110 -9.184 -0.047 1.00 0.00 H new ATOM 0 HA ARG A 59 -2.539 -8.577 -2.460 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -4.680 -10.376 -3.092 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -2.957 -10.689 -3.174 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -3.259 -11.103 -0.546 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -4.920 -11.404 -1.017 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -4.110 -13.057 -2.720 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -2.466 -12.784 -2.177 1.00 0.00 H new ATOM 0 HE ARG A 59 -2.856 -14.150 -0.339 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -5.939 -13.086 -1.711 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -6.895 -14.152 -0.677 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -4.095 -15.515 0.975 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -5.857 -15.519 0.836 1.00 0.00 H new ATOM 930 N PHE A 60 -5.156 -7.281 -1.567 1.00 0.00 N ATOM 931 CA PHE A 60 -6.210 -6.311 -1.789 1.00 0.00 C ATOM 932 C PHE A 60 -6.078 -5.222 -0.766 1.00 0.00 C ATOM 933 O PHE A 60 -5.581 -5.425 0.343 1.00 0.00 O ATOM 934 CB PHE A 60 -7.605 -6.943 -1.702 1.00 0.00 C ATOM 935 CG PHE A 60 -7.730 -8.251 -2.421 1.00 0.00 C ATOM 936 CD1 PHE A 60 -7.382 -9.442 -1.803 1.00 0.00 C ATOM 937 CD2 PHE A 60 -8.202 -8.286 -3.713 1.00 0.00 C ATOM 938 CE1 PHE A 60 -7.504 -10.645 -2.472 1.00 0.00 C ATOM 939 CE2 PHE A 60 -8.326 -9.482 -4.390 1.00 0.00 C ATOM 940 CZ PHE A 60 -7.976 -10.664 -3.770 1.00 0.00 C ATOM 0 H PHE A 60 -4.884 -7.363 -0.587 1.00 0.00 H new ATOM 0 HA PHE A 60 -6.103 -5.910 -2.797 1.00 0.00 H new ATOM 0 HB2 PHE A 60 -7.860 -7.092 -0.653 1.00 0.00 H new ATOM 0 HB3 PHE A 60 -8.335 -6.244 -2.111 1.00 0.00 H new ATOM 0 HD1 PHE A 60 -7.012 -9.430 -0.789 1.00 0.00 H new ATOM 0 HD2 PHE A 60 -8.479 -7.365 -4.204 1.00 0.00 H new ATOM 0 HE1 PHE A 60 -7.231 -11.568 -1.981 1.00 0.00 H new ATOM 0 HE2 PHE A 60 -8.697 -9.493 -5.404 1.00 0.00 H new ATOM 0 HZ PHE A 60 -8.071 -11.601 -4.298 1.00 0.00 H new ATOM 950 N VAL A 61 -6.470 -4.055 -1.188 1.00 0.00 N ATOM 951 CA VAL A 61 -6.352 -2.872 -0.372 1.00 0.00 C ATOM 952 C VAL A 61 -7.714 -2.312 0.040 1.00 0.00 C ATOM 953 O VAL A 61 -8.573 -2.057 -0.801 1.00 0.00 O ATOM 954 CB VAL A 61 -5.550 -1.808 -1.145 1.00 0.00 C ATOM 955 CG1 VAL A 61 -4.455 -2.446 -1.969 1.00 0.00 C ATOM 956 CG2 VAL A 61 -6.450 -0.942 -2.020 1.00 0.00 C ATOM 0 H VAL A 61 -6.881 -3.892 -2.107 1.00 0.00 H new ATOM 0 HA VAL A 61 -5.832 -3.144 0.547 1.00 0.00 H new ATOM 0 HB VAL A 61 -5.087 -1.155 -0.405 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -3.905 -1.672 -2.504 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -3.774 -2.987 -1.312 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -4.896 -3.139 -2.685 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -5.844 -0.205 -2.547 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -6.968 -1.571 -2.744 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -7.182 -0.430 -1.395 1.00 0.00 H new ATOM 966 N TYR A 62 -7.927 -2.177 1.345 1.00 0.00 N ATOM 967 CA TYR A 62 -9.198 -1.713 1.850 1.00 0.00 C ATOM 968 C TYR A 62 -9.165 -0.284 2.384 1.00 0.00 C ATOM 969 O TYR A 62 -8.600 0.014 3.441 1.00 0.00 O ATOM 970 CB TYR A 62 -9.711 -2.652 2.936 1.00 0.00 C ATOM 971 CG TYR A 62 -9.836 -4.095 2.495 1.00 0.00 C ATOM 972 CD1 TYR A 62 -8.775 -4.780 1.901 1.00 0.00 C ATOM 973 CD2 TYR A 62 -11.030 -4.774 2.673 1.00 0.00 C ATOM 974 CE1 TYR A 62 -8.912 -6.096 1.505 1.00 0.00 C ATOM 975 CE2 TYR A 62 -11.174 -6.088 2.278 1.00 0.00 C ATOM 976 CZ TYR A 62 -10.113 -6.745 1.697 1.00 0.00 C ATOM 977 OH TYR A 62 -10.257 -8.055 1.300 1.00 0.00 O ATOM 0 H TYR A 62 -7.233 -2.384 2.064 1.00 0.00 H new ATOM 0 HA TYR A 62 -9.875 -1.712 0.996 1.00 0.00 H new ATOM 0 HB2 TYR A 62 -9.039 -2.602 3.793 1.00 0.00 H new ATOM 0 HB3 TYR A 62 -10.686 -2.301 3.275 1.00 0.00 H new ATOM 0 HD1 TYR A 62 -7.833 -4.274 1.749 1.00 0.00 H new ATOM 0 HD2 TYR A 62 -11.865 -4.264 3.130 1.00 0.00 H new ATOM 0 HE1 TYR A 62 -8.082 -6.614 1.047 1.00 0.00 H new ATOM 0 HE2 TYR A 62 -12.114 -6.599 2.424 1.00 0.00 H new ATOM 0 HH TYR A 62 -11.164 -8.362 1.509 1.00 0.00 H new ATOM 987 N THR A 63 -9.787 0.592 1.628 1.00 0.00 N ATOM 988 CA THR A 63 -9.901 2.008 1.975 1.00 0.00 C ATOM 989 C THR A 63 -11.365 2.365 2.214 1.00 0.00 C ATOM 990 O THR A 63 -12.253 1.703 1.692 1.00 0.00 O ATOM 991 CB THR A 63 -9.413 2.920 0.850 1.00 0.00 C ATOM 992 OG1 THR A 63 -10.305 3.998 0.734 1.00 0.00 O ATOM 993 CG2 THR A 63 -9.371 2.265 -0.508 1.00 0.00 C ATOM 0 H THR A 63 -10.235 0.349 0.745 1.00 0.00 H new ATOM 0 HA THR A 63 -9.289 2.158 2.864 1.00 0.00 H new ATOM 0 HB THR A 63 -8.397 3.208 1.121 1.00 0.00 H new ATOM 0 HG1 THR A 63 -10.811 3.916 -0.101 1.00 0.00 H new ATOM 0 HG21 THR A 63 -9.014 2.982 -1.247 1.00 0.00 H new ATOM 0 HG22 THR A 63 -8.697 1.409 -0.478 1.00 0.00 H new ATOM 0 HG23 THR A 63 -10.372 1.930 -0.782 1.00 0.00 H new ATOM 1001 N PRO A 64 -11.639 3.451 2.959 1.00 0.00 N ATOM 1002 CA PRO A 64 -13.010 3.908 3.205 1.00 0.00 C ATOM 1003 C PRO A 64 -13.661 4.489 1.939 1.00 0.00 C ATOM 1004 O PRO A 64 -13.006 5.142 1.126 1.00 0.00 O ATOM 1005 CB PRO A 64 -12.861 5.008 4.263 1.00 0.00 C ATOM 1006 CG PRO A 64 -11.427 4.987 4.694 1.00 0.00 C ATOM 1007 CD PRO A 64 -10.648 4.336 3.586 1.00 0.00 C ATOM 0 HA PRO A 64 -13.650 3.085 3.522 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -13.129 5.981 3.852 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -13.524 4.826 5.109 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -11.064 5.998 4.879 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -11.312 4.432 5.625 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -10.260 5.071 2.880 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -9.793 3.778 3.968 1.00 0.00 H new ATOM 1015 N ALA A 65 -14.948 4.208 1.780 1.00 0.00 N ATOM 1016 CA ALA A 65 -15.729 4.637 0.647 1.00 0.00 C ATOM 1017 C ALA A 65 -16.503 5.927 0.925 1.00 0.00 C ATOM 1018 O ALA A 65 -17.653 6.073 0.512 1.00 0.00 O ATOM 1019 CB ALA A 65 -16.685 3.530 0.238 1.00 0.00 C ATOM 0 H ALA A 65 -15.482 3.662 2.456 1.00 0.00 H new ATOM 0 HA ALA A 65 -15.037 4.851 -0.167 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -17.275 3.856 -0.619 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -16.117 2.639 -0.031 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -17.351 3.299 1.069 1.00 0.00 H new ATOM 1025 N MET A 66 -15.869 6.854 1.629 1.00 0.00 N ATOM 1026 CA MET A 66 -16.495 8.129 1.970 1.00 0.00 C ATOM 1027 C MET A 66 -16.123 9.222 0.969 1.00 0.00 C ATOM 1028 O MET A 66 -15.267 9.026 0.105 1.00 0.00 O ATOM 1029 CB MET A 66 -16.090 8.554 3.381 1.00 0.00 C ATOM 1030 CG MET A 66 -17.271 8.802 4.301 1.00 0.00 C ATOM 1031 SD MET A 66 -16.863 9.896 5.674 1.00 0.00 S ATOM 1032 CE MET A 66 -17.982 9.287 6.933 1.00 0.00 C ATOM 0 H MET A 66 -14.916 6.748 1.978 1.00 0.00 H new ATOM 0 HA MET A 66 -17.575 7.990 1.930 1.00 0.00 H new ATOM 0 HB2 MET A 66 -15.456 7.782 3.817 1.00 0.00 H new ATOM 0 HB3 MET A 66 -15.490 9.462 3.320 1.00 0.00 H new ATOM 0 HG2 MET A 66 -18.089 9.236 3.726 1.00 0.00 H new ATOM 0 HG3 MET A 66 -17.627 7.850 4.694 1.00 0.00 H new ATOM 0 HE1 MET A 66 -17.850 9.865 7.848 1.00 0.00 H new ATOM 0 HE2 MET A 66 -19.010 9.388 6.585 1.00 0.00 H new ATOM 0 HE3 MET A 66 -17.768 8.237 7.133 1.00 0.00 H new ATOM 1042 N GLU A 67 -16.775 10.372 1.088 1.00 0.00 N ATOM 1043 CA GLU A 67 -16.509 11.496 0.200 1.00 0.00 C ATOM 1044 C GLU A 67 -15.268 12.262 0.654 1.00 0.00 C ATOM 1045 O GLU A 67 -14.310 12.417 -0.104 1.00 0.00 O ATOM 1046 CB GLU A 67 -17.713 12.436 0.160 1.00 0.00 C ATOM 1047 CG GLU A 67 -17.729 13.347 -1.054 1.00 0.00 C ATOM 1048 CD GLU A 67 -18.097 12.611 -2.327 1.00 0.00 C ATOM 1049 OE1 GLU A 67 -17.340 11.700 -2.725 1.00 0.00 O ATOM 1050 OE2 GLU A 67 -19.141 12.945 -2.926 1.00 0.00 O ATOM 0 H GLU A 67 -17.492 10.550 1.791 1.00 0.00 H new ATOM 0 HA GLU A 67 -16.329 11.104 -0.801 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -18.628 11.843 0.172 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -17.717 13.047 1.063 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -18.440 14.156 -0.888 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -16.747 13.805 -1.174 1.00 0.00 H new ATOM 1057 N SER A 68 -15.291 12.733 1.900 1.00 0.00 N ATOM 1058 CA SER A 68 -14.167 13.480 2.463 1.00 0.00 C ATOM 1059 C SER A 68 -13.042 12.548 2.915 1.00 0.00 C ATOM 1060 O SER A 68 -12.113 12.974 3.601 1.00 0.00 O ATOM 1061 CB SER A 68 -14.638 14.331 3.645 1.00 0.00 C ATOM 1062 OG SER A 68 -15.340 13.544 4.593 1.00 0.00 O ATOM 0 H SER A 68 -16.076 12.610 2.539 1.00 0.00 H new ATOM 0 HA SER A 68 -13.776 14.128 1.679 1.00 0.00 H new ATOM 0 HB2 SER A 68 -13.779 14.802 4.123 1.00 0.00 H new ATOM 0 HB3 SER A 68 -15.282 15.133 3.286 1.00 0.00 H new ATOM 0 HG SER A 68 -15.629 14.110 5.339 1.00 0.00 H new ATOM 1068 N VAL A 69 -13.129 11.279 2.530 1.00 0.00 N ATOM 1069 CA VAL A 69 -12.121 10.295 2.897 1.00 0.00 C ATOM 1070 C VAL A 69 -11.008 10.232 1.849 1.00 0.00 C ATOM 1071 O VAL A 69 -11.145 10.778 0.754 1.00 0.00 O ATOM 1072 CB VAL A 69 -12.758 8.900 3.083 1.00 0.00 C ATOM 1073 CG1 VAL A 69 -13.081 8.247 1.746 1.00 0.00 C ATOM 1074 CG2 VAL A 69 -11.860 8.003 3.914 1.00 0.00 C ATOM 0 H VAL A 69 -13.891 10.908 1.962 1.00 0.00 H new ATOM 0 HA VAL A 69 -11.683 10.606 3.845 1.00 0.00 H new ATOM 0 HB VAL A 69 -13.698 9.039 3.618 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -13.527 7.268 1.918 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -13.782 8.874 1.195 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -12.165 8.132 1.167 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -12.330 7.026 4.031 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -10.899 7.886 3.413 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -11.705 8.452 4.895 1.00 0.00 H new ATOM 1084 N CYS A 70 -9.907 9.569 2.190 1.00 0.00 N ATOM 1085 CA CYS A 70 -8.777 9.446 1.274 1.00 0.00 C ATOM 1086 C CYS A 70 -8.580 8.023 0.824 1.00 0.00 C ATOM 1087 O CYS A 70 -7.532 7.434 1.033 1.00 0.00 O ATOM 1088 CB CYS A 70 -7.502 9.981 1.926 1.00 0.00 C ATOM 1089 SG CYS A 70 -6.867 11.500 1.157 1.00 0.00 S ATOM 0 H CYS A 70 -9.773 9.110 3.091 1.00 0.00 H new ATOM 0 HA CYS A 70 -9.000 10.044 0.390 1.00 0.00 H new ATOM 0 HB2 CYS A 70 -7.698 10.173 2.981 1.00 0.00 H new ATOM 0 HB3 CYS A 70 -6.731 9.212 1.880 1.00 0.00 H new ATOM 1094 N GLY A 71 -9.613 7.485 0.214 1.00 0.00 N ATOM 1095 CA GLY A 71 -9.567 6.141 -0.268 1.00 0.00 C ATOM 1096 C GLY A 71 -8.281 5.803 -0.989 1.00 0.00 C ATOM 1097 O GLY A 71 -7.219 5.687 -0.383 1.00 0.00 O ATOM 0 H GLY A 71 -10.495 7.968 0.044 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -9.694 5.458 0.572 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -10.407 5.976 -0.943 1.00 0.00 H new ATOM 1101 N TYR A 72 -8.383 5.635 -2.284 1.00 0.00 N ATOM 1102 CA TYR A 72 -7.216 5.319 -3.097 1.00 0.00 C ATOM 1103 C TYR A 72 -7.486 5.471 -4.580 1.00 0.00 C ATOM 1104 O TYR A 72 -7.780 4.489 -5.264 1.00 0.00 O ATOM 1105 CB TYR A 72 -6.758 3.886 -2.814 1.00 0.00 C ATOM 1106 CG TYR A 72 -5.389 3.571 -3.371 1.00 0.00 C ATOM 1107 CD1 TYR A 72 -4.243 3.899 -2.664 1.00 0.00 C ATOM 1108 CD2 TYR A 72 -5.244 2.951 -4.606 1.00 0.00 C ATOM 1109 CE1 TYR A 72 -2.990 3.619 -3.167 1.00 0.00 C ATOM 1110 CE2 TYR A 72 -3.991 2.667 -5.117 1.00 0.00 C ATOM 1111 CZ TYR A 72 -2.868 3.002 -4.396 1.00 0.00 C ATOM 1112 OH TYR A 72 -1.620 2.717 -4.904 1.00 0.00 O ATOM 0 H TYR A 72 -9.257 5.710 -2.805 1.00 0.00 H new ATOM 0 HA TYR A 72 -6.435 6.030 -2.826 1.00 0.00 H new ATOM 0 HB2 TYR A 72 -6.750 3.721 -1.737 1.00 0.00 H new ATOM 0 HB3 TYR A 72 -7.483 3.191 -3.237 1.00 0.00 H new ATOM 0 HD1 TYR A 72 -4.333 4.382 -1.702 1.00 0.00 H new ATOM 0 HD2 TYR A 72 -6.123 2.687 -5.175 1.00 0.00 H new ATOM 0 HE1 TYR A 72 -2.108 3.881 -2.602 1.00 0.00 H new ATOM 0 HE2 TYR A 72 -3.894 2.184 -6.078 1.00 0.00 H new ATOM 0 HH TYR A 72 -1.675 1.928 -5.482 1.00 0.00 H new ATOM 1122 N PHE A 73 -7.392 6.691 -5.085 1.00 0.00 N ATOM 1123 CA PHE A 73 -7.636 6.921 -6.493 1.00 0.00 C ATOM 1124 C PHE A 73 -6.519 6.294 -7.320 1.00 0.00 C ATOM 1125 O PHE A 73 -5.431 6.848 -7.469 1.00 0.00 O ATOM 1126 CB PHE A 73 -7.783 8.420 -6.793 1.00 0.00 C ATOM 1127 CG PHE A 73 -9.204 8.914 -6.690 1.00 0.00 C ATOM 1128 CD1 PHE A 73 -10.111 8.693 -7.718 1.00 0.00 C ATOM 1129 CD2 PHE A 73 -9.635 9.601 -5.564 1.00 0.00 C ATOM 1130 CE1 PHE A 73 -11.415 9.145 -7.624 1.00 0.00 C ATOM 1131 CE2 PHE A 73 -10.938 10.054 -5.465 1.00 0.00 C ATOM 1132 CZ PHE A 73 -11.829 9.826 -6.495 1.00 0.00 C ATOM 0 H PHE A 73 -7.152 7.524 -4.547 1.00 0.00 H new ATOM 0 HA PHE A 73 -8.578 6.446 -6.768 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -7.159 8.985 -6.101 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -7.408 8.621 -7.797 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -9.794 8.161 -8.603 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -8.944 9.784 -4.754 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -12.109 8.966 -8.432 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -11.259 10.586 -4.582 1.00 0.00 H new ATOM 0 HZ PHE A 73 -12.847 10.179 -6.418 1.00 0.00 H new ATOM 1142 N HIS A 74 -6.816 5.094 -7.802 1.00 0.00 N ATOM 1143 CA HIS A 74 -5.827 4.341 -8.563 1.00 0.00 C ATOM 1144 C HIS A 74 -6.044 4.454 -10.071 1.00 0.00 C ATOM 1145 O HIS A 74 -7.067 4.028 -10.607 1.00 0.00 O ATOM 1146 CB HIS A 74 -5.824 2.882 -8.093 1.00 0.00 C ATOM 1147 CG HIS A 74 -5.240 1.901 -9.072 1.00 0.00 C ATOM 1148 ND1 HIS A 74 -5.956 0.846 -9.599 1.00 0.00 N ATOM 1149 CD2 HIS A 74 -3.996 1.809 -9.603 1.00 0.00 C ATOM 1150 CE1 HIS A 74 -5.179 0.148 -10.409 1.00 0.00 C ATOM 1151 NE2 HIS A 74 -3.988 0.710 -10.429 1.00 0.00 N ATOM 0 H HIS A 74 -7.716 4.628 -7.683 1.00 0.00 H new ATOM 0 HA HIS A 74 -4.845 4.774 -8.373 1.00 0.00 H new ATOM 0 HB2 HIS A 74 -5.265 2.818 -7.160 1.00 0.00 H new ATOM 0 HB3 HIS A 74 -6.849 2.585 -7.872 1.00 0.00 H new ATOM 0 HD1 HIS A 74 -6.933 0.637 -9.395 1.00 0.00 H new ATOM 0 HD2 HIS A 74 -3.167 2.474 -9.413 1.00 0.00 H new ATOM 0 HE1 HIS A 74 -5.471 -0.733 -10.961 1.00 0.00 H new ATOM 1160 N ARG A 75 -5.050 5.035 -10.740 1.00 0.00 N ATOM 1161 CA ARG A 75 -5.088 5.221 -12.184 1.00 0.00 C ATOM 1162 C ARG A 75 -3.958 4.442 -12.859 1.00 0.00 C ATOM 1163 O ARG A 75 -2.979 5.025 -13.324 1.00 0.00 O ATOM 1164 CB ARG A 75 -4.978 6.711 -12.534 1.00 0.00 C ATOM 1165 CG ARG A 75 -5.793 7.625 -11.627 1.00 0.00 C ATOM 1166 CD ARG A 75 -7.243 7.175 -11.519 1.00 0.00 C ATOM 1167 NE ARG A 75 -8.126 7.952 -12.388 1.00 0.00 N ATOM 1168 CZ ARG A 75 -9.342 7.552 -12.754 1.00 0.00 C ATOM 1169 NH1 ARG A 75 -9.820 6.388 -12.329 1.00 0.00 N ATOM 1170 NH2 ARG A 75 -10.083 8.316 -13.545 1.00 0.00 N ATOM 0 H ARG A 75 -4.201 5.387 -10.297 1.00 0.00 H new ATOM 0 HA ARG A 75 -6.041 4.840 -12.551 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -3.930 7.008 -12.485 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -5.303 6.856 -13.564 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -5.344 7.644 -10.634 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -5.757 8.644 -12.012 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -7.315 6.119 -11.780 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -7.576 7.271 -10.486 1.00 0.00 H new ATOM 0 HE ARG A 75 -7.791 8.851 -12.733 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -9.255 5.797 -11.720 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -10.752 6.086 -12.612 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -9.722 9.211 -13.874 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -11.014 8.008 -13.825 1.00 0.00 H new ATOM 1184 N SER A 76 -4.104 3.119 -12.908 1.00 0.00 N ATOM 1185 CA SER A 76 -3.100 2.256 -13.526 1.00 0.00 C ATOM 1186 C SER A 76 -3.704 0.901 -13.904 1.00 0.00 C ATOM 1187 O SER A 76 -4.107 0.125 -13.039 1.00 0.00 O ATOM 1188 CB SER A 76 -1.903 2.067 -12.586 1.00 0.00 C ATOM 1189 OG SER A 76 -1.126 3.250 -12.510 1.00 0.00 O ATOM 0 H SER A 76 -4.909 2.621 -12.527 1.00 0.00 H new ATOM 0 HA SER A 76 -2.752 2.739 -14.439 1.00 0.00 H new ATOM 0 HB2 SER A 76 -2.256 1.795 -11.591 1.00 0.00 H new ATOM 0 HB3 SER A 76 -1.284 1.243 -12.941 1.00 0.00 H new ATOM 0 HG SER A 76 -1.576 3.969 -13.001 1.00 0.00 H new ATOM 1195 N HIS A 77 -3.760 0.636 -15.207 1.00 0.00 N ATOM 1196 CA HIS A 77 -4.309 -0.616 -15.732 1.00 0.00 C ATOM 1197 C HIS A 77 -3.198 -1.622 -16.045 1.00 0.00 C ATOM 1198 O HIS A 77 -3.464 -2.759 -16.433 1.00 0.00 O ATOM 1199 CB HIS A 77 -5.135 -0.345 -16.998 1.00 0.00 C ATOM 1200 CG HIS A 77 -4.371 0.336 -18.100 1.00 0.00 C ATOM 1201 ND1 HIS A 77 -3.651 1.502 -17.923 1.00 0.00 N ATOM 1202 CD2 HIS A 77 -4.217 0.004 -19.406 1.00 0.00 C ATOM 1203 CE1 HIS A 77 -3.088 1.851 -19.063 1.00 0.00 C ATOM 1204 NE2 HIS A 77 -3.415 0.961 -19.980 1.00 0.00 N ATOM 0 H HIS A 77 -3.429 1.278 -15.927 1.00 0.00 H new ATOM 0 HA HIS A 77 -4.953 -1.045 -14.964 1.00 0.00 H new ATOM 0 HB2 HIS A 77 -5.525 -1.291 -17.373 1.00 0.00 H new ATOM 0 HB3 HIS A 77 -5.994 0.271 -16.733 1.00 0.00 H new ATOM 0 HD2 HIS A 77 -4.645 -0.854 -19.903 1.00 0.00 H new ATOM 0 HE1 HIS A 77 -2.465 2.719 -19.220 1.00 0.00 H new ATOM 0 HE2 HIS A 77 -3.120 0.980 -20.956 1.00 0.00 H new ATOM 1213 N ASN A 78 -1.961 -1.182 -15.879 1.00 0.00 N ATOM 1214 CA ASN A 78 -0.808 -2.030 -16.157 1.00 0.00 C ATOM 1215 C ASN A 78 -0.619 -3.077 -15.065 1.00 0.00 C ATOM 1216 O ASN A 78 -0.279 -2.752 -13.928 1.00 0.00 O ATOM 1217 CB ASN A 78 0.452 -1.186 -16.302 1.00 0.00 C ATOM 1218 CG ASN A 78 1.469 -1.824 -17.231 1.00 0.00 C ATOM 1219 OD1 ASN A 78 2.551 -2.225 -16.803 1.00 0.00 O ATOM 1220 ND2 ASN A 78 1.124 -1.921 -18.509 1.00 0.00 N ATOM 0 H ASN A 78 -1.727 -0.244 -15.554 1.00 0.00 H new ATOM 0 HA ASN A 78 -0.994 -2.550 -17.097 1.00 0.00 H new ATOM 0 HB2 ASN A 78 0.184 -0.200 -16.682 1.00 0.00 H new ATOM 0 HB3 ASN A 78 0.902 -1.038 -15.321 1.00 0.00 H new ATOM 0 HD21 ASN A 78 1.767 -2.342 -19.180 1.00 0.00 H new ATOM 0 HD22 ASN A 78 0.216 -1.575 -18.820 1.00 0.00 H new ATOM 1227 N ARG A 79 -0.835 -4.340 -15.424 1.00 0.00 N ATOM 1228 CA ARG A 79 -0.684 -5.448 -14.488 1.00 0.00 C ATOM 1229 C ARG A 79 0.788 -5.805 -14.295 1.00 0.00 C ATOM 1230 O ARG A 79 1.127 -6.646 -13.463 1.00 0.00 O ATOM 1231 CB ARG A 79 -1.461 -6.673 -14.983 1.00 0.00 C ATOM 1232 CG ARG A 79 -1.119 -7.088 -16.408 1.00 0.00 C ATOM 1233 CD ARG A 79 -2.058 -8.172 -16.912 1.00 0.00 C ATOM 1234 NE ARG A 79 -3.447 -7.715 -16.968 1.00 0.00 N ATOM 1235 CZ ARG A 79 -4.443 -8.249 -16.259 1.00 0.00 C ATOM 1236 NH1 ARG A 79 -4.218 -9.259 -15.426 1.00 0.00 N ATOM 1237 NH2 ARG A 79 -5.672 -7.767 -16.383 1.00 0.00 N ATOM 0 H ARG A 79 -1.117 -4.621 -16.363 1.00 0.00 H new ATOM 0 HA ARG A 79 -1.090 -5.135 -13.526 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -1.264 -7.511 -14.314 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -2.529 -6.462 -14.923 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -1.177 -6.220 -17.065 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -0.091 -7.449 -16.447 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -1.742 -8.492 -17.905 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -1.989 -9.043 -16.260 1.00 0.00 H new ATOM 0 HE ARG A 79 -3.668 -6.937 -17.590 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -3.275 -9.635 -15.323 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -4.988 -9.659 -14.889 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -5.853 -6.990 -17.019 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -6.436 -8.173 -15.843 1.00 0.00 H new ATOM 1251 N SER A 80 1.664 -5.148 -15.058 1.00 0.00 N ATOM 1252 CA SER A 80 3.103 -5.376 -14.963 1.00 0.00 C ATOM 1253 C SER A 80 3.779 -4.169 -14.311 1.00 0.00 C ATOM 1254 O SER A 80 5.006 -4.147 -14.202 1.00 0.00 O ATOM 1255 CB SER A 80 3.691 -5.594 -16.357 1.00 0.00 C ATOM 1256 OG SER A 80 3.874 -6.972 -16.627 1.00 0.00 O ATOM 0 H SER A 80 1.397 -4.450 -15.752 1.00 0.00 H new ATOM 0 HA SER A 80 3.279 -6.263 -14.354 1.00 0.00 H new ATOM 0 HB2 SER A 80 3.029 -5.159 -17.106 1.00 0.00 H new ATOM 0 HB3 SER A 80 4.646 -5.075 -16.437 1.00 0.00 H new ATOM 0 HG SER A 80 4.250 -7.082 -17.525 1.00 0.00 H new ATOM 1262 N GLU A 81 3.017 -3.182 -13.850 1.00 0.00 N ATOM 1263 CA GLU A 81 3.631 -2.029 -13.195 1.00 0.00 C ATOM 1264 C GLU A 81 3.670 -2.218 -11.676 1.00 0.00 C ATOM 1265 O GLU A 81 2.634 -2.291 -11.016 1.00 0.00 O ATOM 1266 CB GLU A 81 2.915 -0.729 -13.559 1.00 0.00 C ATOM 1267 CG GLU A 81 3.836 0.483 -13.573 1.00 0.00 C ATOM 1268 CD GLU A 81 4.272 0.906 -12.183 1.00 0.00 C ATOM 1269 OE1 GLU A 81 3.451 1.510 -11.462 1.00 0.00 O ATOM 1270 OE2 GLU A 81 5.436 0.635 -11.818 1.00 0.00 O ATOM 0 H GLU A 81 1.999 -3.154 -13.914 1.00 0.00 H new ATOM 0 HA GLU A 81 4.656 -1.956 -13.558 1.00 0.00 H new ATOM 0 HB2 GLU A 81 2.455 -0.838 -14.541 1.00 0.00 H new ATOM 0 HB3 GLU A 81 2.108 -0.555 -12.847 1.00 0.00 H new ATOM 0 HG2 GLU A 81 4.718 0.257 -14.172 1.00 0.00 H new ATOM 0 HG3 GLU A 81 3.326 1.315 -14.058 1.00 0.00 H new ATOM 1277 N GLU A 82 4.882 -2.279 -11.141 1.00 0.00 N ATOM 1278 CA GLU A 82 5.111 -2.452 -9.707 1.00 0.00 C ATOM 1279 C GLU A 82 4.670 -1.211 -8.936 1.00 0.00 C ATOM 1280 O GLU A 82 4.368 -0.178 -9.534 1.00 0.00 O ATOM 1281 CB GLU A 82 6.583 -2.759 -9.430 1.00 0.00 C ATOM 1282 CG GLU A 82 6.983 -4.177 -9.807 1.00 0.00 C ATOM 1283 CD GLU A 82 8.213 -4.223 -10.691 1.00 0.00 C ATOM 1284 OE1 GLU A 82 9.332 -4.065 -10.160 1.00 0.00 O ATOM 1285 OE2 GLU A 82 8.057 -4.415 -11.915 1.00 0.00 O ATOM 0 H GLU A 82 5.740 -2.210 -11.689 1.00 0.00 H new ATOM 0 HA GLU A 82 4.513 -3.297 -9.367 1.00 0.00 H new ATOM 0 HB2 GLU A 82 7.204 -2.054 -9.983 1.00 0.00 H new ATOM 0 HB3 GLU A 82 6.787 -2.601 -8.371 1.00 0.00 H new ATOM 0 HG2 GLU A 82 7.172 -4.750 -8.899 1.00 0.00 H new ATOM 0 HG3 GLU A 82 6.152 -4.660 -10.322 1.00 0.00 H new ATOM 1292 N PHE A 83 4.627 -1.311 -7.607 1.00 0.00 N ATOM 1293 CA PHE A 83 4.220 -0.185 -6.768 1.00 0.00 C ATOM 1294 C PHE A 83 4.767 -0.294 -5.341 1.00 0.00 C ATOM 1295 O PHE A 83 5.361 -1.295 -4.957 1.00 0.00 O ATOM 1296 CB PHE A 83 2.697 -0.029 -6.730 1.00 0.00 C ATOM 1297 CG PHE A 83 2.168 0.936 -7.753 1.00 0.00 C ATOM 1298 CD1 PHE A 83 2.212 2.298 -7.506 1.00 0.00 C ATOM 1299 CD2 PHE A 83 1.625 0.493 -8.951 1.00 0.00 C ATOM 1300 CE1 PHE A 83 1.731 3.202 -8.430 1.00 0.00 C ATOM 1301 CE2 PHE A 83 1.141 1.396 -9.881 1.00 0.00 C ATOM 1302 CZ PHE A 83 1.195 2.752 -9.619 1.00 0.00 C ATOM 0 H PHE A 83 4.868 -2.157 -7.091 1.00 0.00 H new ATOM 0 HA PHE A 83 4.652 0.704 -7.228 1.00 0.00 H new ATOM 0 HB2 PHE A 83 2.236 -1.004 -6.889 1.00 0.00 H new ATOM 0 HB3 PHE A 83 2.399 0.307 -5.737 1.00 0.00 H new ATOM 0 HD1 PHE A 83 2.629 2.657 -6.577 1.00 0.00 H new ATOM 0 HD2 PHE A 83 1.580 -0.566 -9.159 1.00 0.00 H new ATOM 0 HE1 PHE A 83 1.774 4.261 -8.223 1.00 0.00 H new ATOM 0 HE2 PHE A 83 0.721 1.042 -10.811 1.00 0.00 H new ATOM 0 HZ PHE A 83 0.818 3.458 -10.344 1.00 0.00 H new ATOM 1312 N LEU A 84 4.516 0.760 -4.573 1.00 0.00 N ATOM 1313 CA LEU A 84 4.928 0.835 -3.168 1.00 0.00 C ATOM 1314 C LEU A 84 3.703 1.107 -2.292 1.00 0.00 C ATOM 1315 O LEU A 84 2.920 2.011 -2.575 1.00 0.00 O ATOM 1316 CB LEU A 84 6.004 1.915 -2.973 1.00 0.00 C ATOM 1317 CG LEU A 84 6.700 1.941 -1.606 1.00 0.00 C ATOM 1318 CD1 LEU A 84 5.802 2.582 -0.556 1.00 0.00 C ATOM 1319 CD2 LEU A 84 7.120 0.542 -1.176 1.00 0.00 C ATOM 0 H LEU A 84 4.021 1.589 -4.903 1.00 0.00 H new ATOM 0 HA LEU A 84 5.366 -0.118 -2.870 1.00 0.00 H new ATOM 0 HB2 LEU A 84 6.765 1.783 -3.742 1.00 0.00 H new ATOM 0 HB3 LEU A 84 5.546 2.889 -3.142 1.00 0.00 H new ATOM 0 HG LEU A 84 7.602 2.546 -1.701 1.00 0.00 H new ATOM 0 HD11 LEU A 84 6.315 2.590 0.406 1.00 0.00 H new ATOM 0 HD12 LEU A 84 5.569 3.605 -0.852 1.00 0.00 H new ATOM 0 HD13 LEU A 84 4.878 2.010 -0.469 1.00 0.00 H new ATOM 0 HD21 LEU A 84 7.610 0.592 -0.204 1.00 0.00 H new ATOM 0 HD22 LEU A 84 6.240 -0.097 -1.106 1.00 0.00 H new ATOM 0 HD23 LEU A 84 7.811 0.128 -1.910 1.00 0.00 H new ATOM 1331 N ILE A 85 3.510 0.271 -1.273 1.00 0.00 N ATOM 1332 CA ILE A 85 2.315 0.417 -0.429 1.00 0.00 C ATOM 1333 C ILE A 85 2.599 0.406 1.089 1.00 0.00 C ATOM 1334 O ILE A 85 2.783 -0.648 1.685 1.00 0.00 O ATOM 1335 CB ILE A 85 1.304 -0.693 -0.784 1.00 0.00 C ATOM 1336 CG1 ILE A 85 0.881 -0.560 -2.252 1.00 0.00 C ATOM 1337 CG2 ILE A 85 0.083 -0.632 0.127 1.00 0.00 C ATOM 1338 CD1 ILE A 85 0.306 -1.832 -2.839 1.00 0.00 C ATOM 0 H ILE A 85 4.138 -0.490 -1.014 1.00 0.00 H new ATOM 0 HA ILE A 85 1.907 1.405 -0.643 1.00 0.00 H new ATOM 0 HB ILE A 85 1.785 -1.660 -0.636 1.00 0.00 H new ATOM 0 HG12 ILE A 85 0.141 0.235 -2.337 1.00 0.00 H new ATOM 0 HG13 ILE A 85 1.745 -0.256 -2.843 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -0.614 -1.425 -0.145 1.00 0.00 H new ATOM 0 HG22 ILE A 85 0.395 -0.762 1.163 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -0.407 0.335 0.015 1.00 0.00 H new ATOM 0 HD11 ILE A 85 0.030 -1.660 -3.879 1.00 0.00 H new ATOM 0 HD12 ILE A 85 1.051 -2.626 -2.788 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -0.578 -2.127 -2.273 1.00 0.00 H new ATOM 1350 N ALA A 86 2.450 1.589 1.703 1.00 0.00 N ATOM 1351 CA ALA A 86 2.507 1.739 3.175 1.00 0.00 C ATOM 1352 C ALA A 86 1.046 1.694 3.666 1.00 0.00 C ATOM 1353 O ALA A 86 0.238 2.549 3.302 1.00 0.00 O ATOM 1354 CB ALA A 86 3.184 3.036 3.586 1.00 0.00 C ATOM 0 H ALA A 86 2.288 2.464 1.204 1.00 0.00 H new ATOM 0 HA ALA A 86 3.102 0.943 3.621 1.00 0.00 H new ATOM 0 HB1 ALA A 86 3.205 3.107 4.673 1.00 0.00 H new ATOM 0 HB2 ALA A 86 4.204 3.052 3.202 1.00 0.00 H new ATOM 0 HB3 ALA A 86 2.629 3.881 3.178 1.00 0.00 H new ATOM 1360 N GLY A 87 0.727 0.708 4.523 1.00 0.00 N ATOM 1361 CA GLY A 87 -0.626 0.596 5.082 1.00 0.00 C ATOM 1362 C GLY A 87 -0.772 -0.447 6.210 1.00 0.00 C ATOM 1363 O GLY A 87 -0.196 -1.529 6.147 1.00 0.00 O ATOM 0 H GLY A 87 1.378 -0.011 4.838 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -0.928 1.571 5.465 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -1.317 0.341 4.278 1.00 0.00 H new ATOM 1367 N LYS A 88 -1.569 -0.114 7.240 1.00 0.00 N ATOM 1368 CA LYS A 88 -1.826 -1.009 8.378 1.00 0.00 C ATOM 1369 C LYS A 88 -2.988 -1.957 8.058 1.00 0.00 C ATOM 1370 O LYS A 88 -3.727 -1.735 7.097 1.00 0.00 O ATOM 1371 CB LYS A 88 -2.150 -0.170 9.628 1.00 0.00 C ATOM 1372 CG LYS A 88 -2.666 -0.976 10.816 1.00 0.00 C ATOM 1373 CD LYS A 88 -2.961 -0.089 12.016 1.00 0.00 C ATOM 1374 CE LYS A 88 -4.362 -0.340 12.553 1.00 0.00 C ATOM 1375 NZ LYS A 88 -4.477 -0.024 14.004 1.00 0.00 N ATOM 0 H LYS A 88 -2.052 0.782 7.306 1.00 0.00 H new ATOM 0 HA LYS A 88 -0.936 -1.609 8.570 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -1.252 0.367 9.932 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -2.895 0.580 9.363 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -3.572 -1.510 10.527 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -1.927 -1.728 11.093 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -2.228 -0.278 12.801 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -2.860 0.958 11.731 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -5.076 0.265 11.994 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -4.630 -1.384 12.388 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -5.449 -0.211 14.324 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -3.815 -0.619 14.542 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -4.248 0.978 14.160 1.00 0.00 H new ATOM 1389 N LEU A 89 -3.155 -3.021 8.858 1.00 0.00 N ATOM 1390 CA LEU A 89 -4.212 -4.023 8.657 1.00 0.00 C ATOM 1391 C LEU A 89 -5.442 -3.798 9.528 1.00 0.00 C ATOM 1392 O LEU A 89 -5.331 -3.353 10.670 1.00 0.00 O ATOM 1393 CB LEU A 89 -3.675 -5.412 9.006 1.00 0.00 C ATOM 1394 CG LEU A 89 -3.103 -6.226 7.853 1.00 0.00 C ATOM 1395 CD1 LEU A 89 -2.839 -7.659 8.307 1.00 0.00 C ATOM 1396 CD2 LEU A 89 -4.044 -6.206 6.669 1.00 0.00 C ATOM 0 H LEU A 89 -2.560 -3.211 9.664 1.00 0.00 H new ATOM 0 HA LEU A 89 -4.506 -3.935 7.611 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -2.898 -5.298 9.762 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -4.482 -5.986 9.462 1.00 0.00 H new ATOM 0 HG LEU A 89 -2.159 -5.778 7.542 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -2.430 -8.234 7.476 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -2.126 -7.654 9.131 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -3.773 -8.114 8.638 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -3.618 -6.793 5.855 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -5.004 -6.633 6.960 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -4.189 -5.178 6.337 1.00 0.00 H new ATOM 1408 N GLN A 90 -6.619 -4.162 9.003 1.00 0.00 N ATOM 1409 CA GLN A 90 -7.878 -4.079 9.723 1.00 0.00 C ATOM 1410 C GLN A 90 -8.469 -5.485 9.814 1.00 0.00 C ATOM 1411 O GLN A 90 -8.935 -6.035 8.815 1.00 0.00 O ATOM 1412 CB GLN A 90 -8.831 -3.124 9.015 1.00 0.00 C ATOM 1413 CG GLN A 90 -9.845 -2.483 9.942 1.00 0.00 C ATOM 1414 CD GLN A 90 -9.570 -1.011 10.167 1.00 0.00 C ATOM 1415 OE1 GLN A 90 -10.389 -0.159 9.562 1.00 0.00 O flip ATOM 1416 NE2 GLN A 90 -8.631 -0.643 10.872 1.00 0.00 N flip ATOM 0 H GLN A 90 -6.716 -4.525 8.055 1.00 0.00 H new ATOM 0 HA GLN A 90 -7.716 -3.688 10.727 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -8.251 -2.341 8.526 1.00 0.00 H new ATOM 0 HB3 GLN A 90 -9.359 -3.666 8.231 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -10.844 -2.604 9.523 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -9.837 -3.002 10.900 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -8.027 -1.333 11.318 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -8.457 0.352 11.011 1.00 0.00 H new ATOM 1425 N ASP A 91 -8.454 -6.053 11.018 1.00 0.00 N ATOM 1426 CA ASP A 91 -9.006 -7.401 11.235 1.00 0.00 C ATOM 1427 C ASP A 91 -8.623 -8.351 10.100 1.00 0.00 C ATOM 1428 O ASP A 91 -9.355 -9.291 9.783 1.00 0.00 O ATOM 1429 CB ASP A 91 -10.531 -7.338 11.359 1.00 0.00 C ATOM 1430 CG ASP A 91 -10.979 -6.903 12.740 1.00 0.00 C ATOM 1431 OD1 ASP A 91 -10.810 -5.710 13.069 1.00 0.00 O ATOM 1432 OD2 ASP A 91 -11.498 -7.755 13.492 1.00 0.00 O ATOM 0 H ASP A 91 -8.071 -5.612 11.854 1.00 0.00 H new ATOM 0 HA ASP A 91 -8.581 -7.785 12.162 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -10.925 -6.644 10.616 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -10.952 -8.318 11.135 1.00 0.00 H new ATOM 1437 N GLY A 92 -7.477 -8.084 9.488 1.00 0.00 N ATOM 1438 CA GLY A 92 -7.026 -8.908 8.387 1.00 0.00 C ATOM 1439 C GLY A 92 -6.736 -8.105 7.137 1.00 0.00 C ATOM 1440 O GLY A 92 -5.685 -8.264 6.526 1.00 0.00 O ATOM 0 H GLY A 92 -6.855 -7.314 9.734 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -6.126 -9.445 8.686 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -7.786 -9.657 8.164 1.00 0.00 H new ATOM 1444 N LEU A 93 -7.716 -7.327 6.694 1.00 0.00 N ATOM 1445 CA LEU A 93 -7.609 -6.580 5.440 1.00 0.00 C ATOM 1446 C LEU A 93 -6.711 -5.355 5.541 1.00 0.00 C ATOM 1447 O LEU A 93 -6.672 -4.670 6.559 1.00 0.00 O ATOM 1448 CB LEU A 93 -9.006 -6.132 4.992 1.00 0.00 C ATOM 1449 CG LEU A 93 -10.087 -7.222 4.968 1.00 0.00 C ATOM 1450 CD1 LEU A 93 -9.552 -8.488 4.321 1.00 0.00 C ATOM 1451 CD2 LEU A 93 -10.614 -7.505 6.371 1.00 0.00 C ATOM 0 H LEU A 93 -8.600 -7.194 7.185 1.00 0.00 H new ATOM 0 HA LEU A 93 -7.156 -7.255 4.714 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -9.339 -5.332 5.654 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -8.926 -5.706 3.992 1.00 0.00 H new ATOM 0 HG LEU A 93 -10.922 -6.859 4.369 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -10.332 -9.250 4.313 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -9.245 -8.272 3.298 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -8.695 -8.852 4.888 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -11.378 -8.281 6.323 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -9.795 -7.841 7.006 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -11.046 -6.595 6.788 1.00 0.00 H new ATOM 1463 N LEU A 94 -6.015 -5.079 4.442 1.00 0.00 N ATOM 1464 CA LEU A 94 -5.126 -3.931 4.351 1.00 0.00 C ATOM 1465 C LEU A 94 -5.941 -2.647 4.299 1.00 0.00 C ATOM 1466 O LEU A 94 -7.083 -2.649 3.851 1.00 0.00 O ATOM 1467 CB LEU A 94 -4.220 -4.050 3.118 1.00 0.00 C ATOM 1468 CG LEU A 94 -3.266 -2.875 2.875 1.00 0.00 C ATOM 1469 CD1 LEU A 94 -2.250 -2.762 4.004 1.00 0.00 C ATOM 1470 CD2 LEU A 94 -2.555 -3.036 1.537 1.00 0.00 C ATOM 0 H LEU A 94 -6.053 -5.644 3.594 1.00 0.00 H new ATOM 0 HA LEU A 94 -4.491 -3.905 5.236 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -3.628 -4.960 3.212 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -4.851 -4.169 2.237 1.00 0.00 H new ATOM 0 HG LEU A 94 -3.854 -1.958 2.850 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -1.583 -1.922 3.811 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -2.771 -2.602 4.948 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -1.667 -3.681 4.063 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -1.881 -2.194 1.379 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -1.982 -3.963 1.539 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -3.292 -3.066 0.735 1.00 0.00 H new ATOM 1482 N HIS A 95 -5.338 -1.551 4.713 1.00 0.00 N ATOM 1483 CA HIS A 95 -6.012 -0.265 4.663 1.00 0.00 C ATOM 1484 C HIS A 95 -5.047 0.791 4.177 1.00 0.00 C ATOM 1485 O HIS A 95 -3.873 0.784 4.546 1.00 0.00 O ATOM 1486 CB HIS A 95 -6.625 0.108 6.012 1.00 0.00 C ATOM 1487 CG HIS A 95 -7.935 -0.576 6.269 1.00 0.00 C ATOM 1488 ND1 HIS A 95 -8.272 -1.888 6.224 1.00 0.00 N flip ATOM 1489 CD2 HIS A 95 -9.090 0.101 6.604 1.00 0.00 C flip ATOM 1490 CE1 HIS A 95 -9.608 -1.976 6.526 1.00 0.00 C flip ATOM 1491 NE2 HIS A 95 -10.079 -0.765 6.752 1.00 0.00 N flip ATOM 0 H HIS A 95 -4.389 -1.522 5.086 1.00 0.00 H new ATOM 0 HA HIS A 95 -6.841 -0.333 3.959 1.00 0.00 H new ATOM 0 HB2 HIS A 95 -5.925 -0.149 6.807 1.00 0.00 H new ATOM 0 HB3 HIS A 95 -6.771 1.187 6.053 1.00 0.00 H new ATOM 0 HD2 HIS A 95 -9.173 1.171 6.726 1.00 0.00 H new ATOM 0 HE1 HIS A 95 -10.181 -2.890 6.571 1.00 0.00 H new ATOM 0 HE2 HIS A 95 -11.042 -0.535 6.999 1.00 0.00 H new ATOM 1500 N ILE A 96 -5.537 1.689 3.338 1.00 0.00 N ATOM 1501 CA ILE A 96 -4.679 2.734 2.789 1.00 0.00 C ATOM 1502 C ILE A 96 -5.449 4.007 2.488 1.00 0.00 C ATOM 1503 O ILE A 96 -6.678 4.008 2.436 1.00 0.00 O ATOM 1504 CB ILE A 96 -3.978 2.273 1.491 1.00 0.00 C ATOM 1505 CG1 ILE A 96 -5.010 1.929 0.421 1.00 0.00 C ATOM 1506 CG2 ILE A 96 -3.078 1.077 1.755 1.00 0.00 C ATOM 1507 CD1 ILE A 96 -5.818 0.694 0.746 1.00 0.00 C ATOM 0 H ILE A 96 -6.507 1.719 3.024 1.00 0.00 H new ATOM 0 HA ILE A 96 -3.934 2.938 3.558 1.00 0.00 H new ATOM 0 HB ILE A 96 -3.359 3.095 1.132 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -5.686 2.774 0.293 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -4.501 1.781 -0.531 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -2.596 0.772 0.826 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -2.317 1.349 2.486 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -3.675 0.251 2.143 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -6.533 0.506 -0.055 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -5.150 -0.162 0.845 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -6.354 0.846 1.683 1.00 0.00 H new ATOM 1519 N THR A 97 -4.703 5.083 2.272 1.00 0.00 N ATOM 1520 CA THR A 97 -5.293 6.374 1.961 1.00 0.00 C ATOM 1521 C THR A 97 -4.323 7.240 1.164 1.00 0.00 C ATOM 1522 O THR A 97 -3.110 7.024 1.198 1.00 0.00 O ATOM 1523 CB THR A 97 -5.688 7.092 3.254 1.00 0.00 C ATOM 1524 OG1 THR A 97 -4.636 7.029 4.199 1.00 0.00 O ATOM 1525 CG2 THR A 97 -6.926 6.522 3.912 1.00 0.00 C ATOM 0 H THR A 97 -3.684 5.084 2.307 1.00 0.00 H new ATOM 0 HA THR A 97 -6.182 6.206 1.353 1.00 0.00 H new ATOM 0 HB THR A 97 -5.899 8.119 2.957 1.00 0.00 H new ATOM 0 HG1 THR A 97 -4.904 7.494 5.019 1.00 0.00 H new ATOM 0 HG21 THR A 97 -7.144 7.081 4.822 1.00 0.00 H new ATOM 0 HG22 THR A 97 -7.770 6.599 3.227 1.00 0.00 H new ATOM 0 HG23 THR A 97 -6.756 5.475 4.162 1.00 0.00 H new ATOM 1533 N THR A 98 -4.862 8.227 0.450 1.00 0.00 N ATOM 1534 CA THR A 98 -4.037 9.126 -0.356 1.00 0.00 C ATOM 1535 C THR A 98 -3.180 10.045 0.522 1.00 0.00 C ATOM 1536 O THR A 98 -2.461 10.900 0.007 1.00 0.00 O ATOM 1537 CB THR A 98 -4.881 9.942 -1.353 1.00 0.00 C ATOM 1538 OG1 THR A 98 -4.934 11.310 -0.990 1.00 0.00 O ATOM 1539 CG2 THR A 98 -6.303 9.447 -1.495 1.00 0.00 C ATOM 0 H THR A 98 -5.862 8.424 0.413 1.00 0.00 H new ATOM 0 HA THR A 98 -3.362 8.498 -0.938 1.00 0.00 H new ATOM 0 HB THR A 98 -4.374 9.814 -2.309 1.00 0.00 H new ATOM 0 HG1 THR A 98 -5.798 11.504 -0.569 1.00 0.00 H new ATOM 0 HG21 THR A 98 -6.835 10.071 -2.213 1.00 0.00 H new ATOM 0 HG22 THR A 98 -6.296 8.415 -1.846 1.00 0.00 H new ATOM 0 HG23 THR A 98 -6.804 9.498 -0.528 1.00 0.00 H new ATOM 1547 N CYS A 99 -3.215 9.835 1.841 1.00 0.00 N ATOM 1548 CA CYS A 99 -2.396 10.605 2.769 1.00 0.00 C ATOM 1549 C CYS A 99 -1.492 9.638 3.533 1.00 0.00 C ATOM 1550 O CYS A 99 -0.900 9.971 4.560 1.00 0.00 O ATOM 1551 CB CYS A 99 -3.250 11.451 3.726 1.00 0.00 C ATOM 1552 SG CYS A 99 -2.271 12.418 4.910 1.00 0.00 S ATOM 0 H CYS A 99 -3.806 9.134 2.287 1.00 0.00 H new ATOM 0 HA CYS A 99 -1.787 11.312 2.206 1.00 0.00 H new ATOM 0 HB2 CYS A 99 -3.872 12.129 3.142 1.00 0.00 H new ATOM 0 HB3 CYS A 99 -3.924 10.794 4.275 1.00 0.00 H new ATOM 1557 N SER A 100 -1.341 8.447 2.950 1.00 0.00 N ATOM 1558 CA SER A 100 -0.475 7.404 3.478 1.00 0.00 C ATOM 1559 C SER A 100 0.645 7.214 2.465 1.00 0.00 C ATOM 1560 O SER A 100 0.447 7.523 1.291 1.00 0.00 O ATOM 1561 CB SER A 100 -1.241 6.093 3.663 1.00 0.00 C ATOM 1562 OG SER A 100 -0.501 5.177 4.450 1.00 0.00 O ATOM 0 H SER A 100 -1.823 8.182 2.091 1.00 0.00 H new ATOM 0 HA SER A 100 -0.087 7.690 4.456 1.00 0.00 H new ATOM 0 HB2 SER A 100 -2.201 6.293 4.139 1.00 0.00 H new ATOM 0 HB3 SER A 100 -1.454 5.652 2.689 1.00 0.00 H new ATOM 0 HG SER A 100 -0.338 4.360 3.934 1.00 0.00 H new ATOM 1568 N PHE A 101 1.819 6.751 2.877 1.00 0.00 N ATOM 1569 CA PHE A 101 2.894 6.595 1.906 1.00 0.00 C ATOM 1570 C PHE A 101 2.549 5.507 0.886 1.00 0.00 C ATOM 1571 O PHE A 101 2.642 4.320 1.190 1.00 0.00 O ATOM 1572 CB PHE A 101 4.206 6.274 2.610 1.00 0.00 C ATOM 1573 CG PHE A 101 5.419 6.491 1.753 1.00 0.00 C ATOM 1574 CD1 PHE A 101 5.575 5.819 0.550 1.00 0.00 C ATOM 1575 CD2 PHE A 101 6.407 7.375 2.154 1.00 0.00 C ATOM 1576 CE1 PHE A 101 6.693 6.025 -0.234 1.00 0.00 C ATOM 1577 CE2 PHE A 101 7.526 7.585 1.374 1.00 0.00 C ATOM 1578 CZ PHE A 101 7.671 6.908 0.179 1.00 0.00 C ATOM 0 H PHE A 101 2.046 6.487 3.836 1.00 0.00 H new ATOM 0 HA PHE A 101 3.012 7.537 1.371 1.00 0.00 H new ATOM 0 HB2 PHE A 101 4.289 6.891 3.504 1.00 0.00 H new ATOM 0 HB3 PHE A 101 4.186 5.235 2.940 1.00 0.00 H new ATOM 0 HD1 PHE A 101 4.813 5.127 0.223 1.00 0.00 H new ATOM 0 HD2 PHE A 101 6.300 7.906 3.088 1.00 0.00 H new ATOM 0 HE1 PHE A 101 6.802 5.496 -1.169 1.00 0.00 H new ATOM 0 HE2 PHE A 101 8.288 8.278 1.698 1.00 0.00 H new ATOM 0 HZ PHE A 101 8.547 7.069 -0.431 1.00 0.00 H new ATOM 1588 N VAL A 102 2.144 5.903 -0.326 1.00 0.00 N ATOM 1589 CA VAL A 102 1.787 4.923 -1.361 1.00 0.00 C ATOM 1590 C VAL A 102 2.062 5.432 -2.783 1.00 0.00 C ATOM 1591 O VAL A 102 1.318 6.266 -3.301 1.00 0.00 O ATOM 1592 CB VAL A 102 0.299 4.512 -1.278 1.00 0.00 C ATOM 1593 CG1 VAL A 102 0.071 3.237 -2.066 1.00 0.00 C ATOM 1594 CG2 VAL A 102 -0.165 4.333 0.164 1.00 0.00 C ATOM 0 H VAL A 102 2.056 6.878 -0.613 1.00 0.00 H new ATOM 0 HA VAL A 102 2.423 4.060 -1.163 1.00 0.00 H new ATOM 0 HB VAL A 102 -0.293 5.319 -1.711 1.00 0.00 H new ATOM 0 HG11 VAL A 102 -0.980 2.953 -2.003 1.00 0.00 H new ATOM 0 HG12 VAL A 102 0.341 3.401 -3.109 1.00 0.00 H new ATOM 0 HG13 VAL A 102 0.688 2.439 -1.653 1.00 0.00 H new ATOM 0 HG21 VAL A 102 -1.216 4.044 0.175 1.00 0.00 H new ATOM 0 HG22 VAL A 102 0.430 3.556 0.644 1.00 0.00 H new ATOM 0 HG23 VAL A 102 -0.041 5.271 0.705 1.00 0.00 H new ATOM 1604 N ALA A 103 3.133 4.935 -3.410 1.00 0.00 N ATOM 1605 CA ALA A 103 3.485 5.363 -4.779 1.00 0.00 C ATOM 1606 C ALA A 103 4.371 4.339 -5.512 1.00 0.00 C ATOM 1607 O ALA A 103 4.820 3.363 -4.920 1.00 0.00 O ATOM 1608 CB ALA A 103 4.170 6.723 -4.741 1.00 0.00 C ATOM 0 H ALA A 103 3.766 4.246 -3.004 1.00 0.00 H new ATOM 0 HA ALA A 103 2.554 5.436 -5.342 1.00 0.00 H new ATOM 0 HB1 ALA A 103 4.426 7.030 -5.755 1.00 0.00 H new ATOM 0 HB2 ALA A 103 3.497 7.457 -4.298 1.00 0.00 H new ATOM 0 HB3 ALA A 103 5.078 6.656 -4.142 1.00 0.00 H new ATOM 1614 N PRO A 104 4.615 4.548 -6.831 1.00 0.00 N ATOM 1615 CA PRO A 104 5.433 3.642 -7.663 1.00 0.00 C ATOM 1616 C PRO A 104 6.816 3.369 -7.155 1.00 0.00 C ATOM 1617 O PRO A 104 7.632 4.286 -7.061 1.00 0.00 O ATOM 1618 CB PRO A 104 5.621 4.407 -8.965 1.00 0.00 C ATOM 1619 CG PRO A 104 4.426 5.287 -9.055 1.00 0.00 C ATOM 1620 CD PRO A 104 4.091 5.677 -7.632 1.00 0.00 C ATOM 0 HA PRO A 104 4.925 2.679 -7.711 1.00 0.00 H new ATOM 0 HB2 PRO A 104 6.543 4.989 -8.954 1.00 0.00 H new ATOM 0 HB3 PRO A 104 5.681 3.731 -9.818 1.00 0.00 H new ATOM 0 HG2 PRO A 104 4.634 6.168 -9.663 1.00 0.00 H new ATOM 0 HG3 PRO A 104 3.591 4.766 -9.524 1.00 0.00 H new ATOM 0 HD2 PRO A 104 4.562 6.620 -7.353 1.00 0.00 H new ATOM 0 HD3 PRO A 104 3.017 5.804 -7.493 1.00 0.00 H new ATOM 1628 N TRP A 105 7.119 2.100 -6.926 1.00 0.00 N ATOM 1629 CA TRP A 105 8.459 1.725 -6.548 1.00 0.00 C ATOM 1630 C TRP A 105 9.381 2.432 -7.503 1.00 0.00 C ATOM 1631 O TRP A 105 10.317 3.122 -7.127 1.00 0.00 O ATOM 1632 CB TRP A 105 8.637 0.228 -6.763 1.00 0.00 C ATOM 1633 CG TRP A 105 9.881 -0.338 -6.187 1.00 0.00 C ATOM 1634 CD1 TRP A 105 10.869 -0.978 -6.868 1.00 0.00 C ATOM 1635 CD2 TRP A 105 10.268 -0.334 -4.815 1.00 0.00 C ATOM 1636 NE1 TRP A 105 11.851 -1.375 -6.005 1.00 0.00 N ATOM 1637 CE2 TRP A 105 11.506 -0.992 -4.733 1.00 0.00 C ATOM 1638 CE3 TRP A 105 9.687 0.165 -3.647 1.00 0.00 C ATOM 1639 CZ2 TRP A 105 12.173 -1.166 -3.524 1.00 0.00 C ATOM 1640 CZ3 TRP A 105 10.353 -0.006 -2.452 1.00 0.00 C ATOM 1641 CH2 TRP A 105 11.584 -0.668 -2.402 1.00 0.00 C ATOM 0 H TRP A 105 6.459 1.326 -6.996 1.00 0.00 H new ATOM 0 HA TRP A 105 8.659 1.979 -5.507 1.00 0.00 H new ATOM 0 HB2 TRP A 105 7.783 -0.292 -6.329 1.00 0.00 H new ATOM 0 HB3 TRP A 105 8.623 0.024 -7.834 1.00 0.00 H new ATOM 0 HD1 TRP A 105 10.876 -1.148 -7.935 1.00 0.00 H new ATOM 0 HE1 TRP A 105 12.702 -1.875 -6.264 1.00 0.00 H new ATOM 0 HE3 TRP A 105 8.735 0.674 -3.679 1.00 0.00 H new ATOM 0 HZ2 TRP A 105 13.123 -1.677 -3.477 1.00 0.00 H new ATOM 0 HZ3 TRP A 105 9.918 0.377 -1.541 1.00 0.00 H new ATOM 0 HH2 TRP A 105 12.080 -0.787 -1.450 1.00 0.00 H new ATOM 1652 N ASN A 106 9.085 2.196 -8.765 1.00 0.00 N ATOM 1653 CA ASN A 106 9.826 2.729 -9.874 1.00 0.00 C ATOM 1654 C ASN A 106 10.165 4.220 -9.733 1.00 0.00 C ATOM 1655 O ASN A 106 11.062 4.719 -10.413 1.00 0.00 O ATOM 1656 CB ASN A 106 9.115 2.432 -11.196 1.00 0.00 C ATOM 1657 CG ASN A 106 9.382 1.010 -11.654 1.00 0.00 C ATOM 1658 OD1 ASN A 106 10.520 0.541 -11.615 1.00 0.00 O ATOM 1659 ND2 ASN A 106 8.337 0.311 -12.081 1.00 0.00 N ATOM 0 H ASN A 106 8.299 1.611 -9.048 1.00 0.00 H new ATOM 0 HA ASN A 106 10.787 2.215 -9.874 1.00 0.00 H new ATOM 0 HB2 ASN A 106 8.042 2.583 -11.077 1.00 0.00 H new ATOM 0 HB3 ASN A 106 9.453 3.133 -11.960 1.00 0.00 H new ATOM 0 HD21 ASN A 106 8.461 -0.652 -12.393 1.00 0.00 H new ATOM 0 HD22 ASN A 106 7.411 0.737 -12.097 1.00 0.00 H new ATOM 1666 N SER A 107 9.463 4.925 -8.850 1.00 0.00 N ATOM 1667 CA SER A 107 9.717 6.350 -8.635 1.00 0.00 C ATOM 1668 C SER A 107 10.612 6.576 -7.425 1.00 0.00 C ATOM 1669 O SER A 107 10.948 7.707 -7.074 1.00 0.00 O ATOM 1670 CB SER A 107 8.404 7.108 -8.460 1.00 0.00 C ATOM 1671 OG SER A 107 8.583 8.497 -8.669 1.00 0.00 O ATOM 0 H SER A 107 8.717 4.537 -8.273 1.00 0.00 H new ATOM 0 HA SER A 107 10.233 6.730 -9.517 1.00 0.00 H new ATOM 0 HB2 SER A 107 7.663 6.724 -9.162 1.00 0.00 H new ATOM 0 HB3 SER A 107 8.012 6.936 -7.457 1.00 0.00 H new ATOM 0 HG SER A 107 9.436 8.779 -8.278 1.00 0.00 H new ATOM 1677 N LEU A 108 10.959 5.488 -6.781 1.00 0.00 N ATOM 1678 CA LEU A 108 11.779 5.512 -5.597 1.00 0.00 C ATOM 1679 C LEU A 108 13.268 5.490 -5.874 1.00 0.00 C ATOM 1680 O LEU A 108 13.736 5.069 -6.933 1.00 0.00 O ATOM 1681 CB LEU A 108 11.413 4.330 -4.728 1.00 0.00 C ATOM 1682 CG LEU A 108 10.378 4.607 -3.640 1.00 0.00 C ATOM 1683 CD1 LEU A 108 9.105 5.182 -4.235 1.00 0.00 C ATOM 1684 CD2 LEU A 108 10.085 3.338 -2.858 1.00 0.00 C ATOM 0 H LEU A 108 10.676 4.551 -7.069 1.00 0.00 H new ATOM 0 HA LEU A 108 11.579 6.459 -5.096 1.00 0.00 H new ATOM 0 HB2 LEU A 108 11.036 3.533 -5.369 1.00 0.00 H new ATOM 0 HB3 LEU A 108 12.320 3.955 -4.254 1.00 0.00 H new ATOM 0 HG LEU A 108 10.789 5.348 -2.955 1.00 0.00 H new ATOM 0 HD11 LEU A 108 8.384 5.370 -3.439 1.00 0.00 H new ATOM 0 HD12 LEU A 108 9.333 6.117 -4.747 1.00 0.00 H new ATOM 0 HD13 LEU A 108 8.683 4.472 -4.946 1.00 0.00 H new ATOM 0 HD21 LEU A 108 9.346 3.549 -2.085 1.00 0.00 H new ATOM 0 HD22 LEU A 108 9.696 2.576 -3.534 1.00 0.00 H new ATOM 0 HD23 LEU A 108 11.002 2.977 -2.393 1.00 0.00 H new ATOM 1696 N SER A 109 13.990 5.900 -4.849 1.00 0.00 N ATOM 1697 CA SER A 109 15.424 5.906 -4.875 1.00 0.00 C ATOM 1698 C SER A 109 15.890 4.478 -4.869 1.00 0.00 C ATOM 1699 O SER A 109 15.315 3.619 -4.224 1.00 0.00 O ATOM 1700 CB SER A 109 15.992 6.695 -3.682 1.00 0.00 C ATOM 1701 OG SER A 109 15.194 7.829 -3.379 1.00 0.00 O ATOM 0 H SER A 109 13.588 6.238 -3.975 1.00 0.00 H new ATOM 0 HA SER A 109 15.786 6.405 -5.774 1.00 0.00 H new ATOM 0 HB2 SER A 109 16.048 6.045 -2.809 1.00 0.00 H new ATOM 0 HB3 SER A 109 17.009 7.015 -3.908 1.00 0.00 H new ATOM 0 HG SER A 109 15.581 8.307 -2.616 1.00 0.00 H new ATOM 1707 N LEU A 110 16.980 4.284 -5.535 1.00 0.00 N ATOM 1708 CA LEU A 110 17.631 3.003 -5.611 1.00 0.00 C ATOM 1709 C LEU A 110 18.107 2.567 -4.244 1.00 0.00 C ATOM 1710 O LEU A 110 18.160 1.378 -3.922 1.00 0.00 O ATOM 1711 CB LEU A 110 18.772 3.097 -6.618 1.00 0.00 C ATOM 1712 CG LEU A 110 19.565 4.422 -6.693 1.00 0.00 C ATOM 1713 CD1 LEU A 110 19.362 5.064 -8.057 1.00 0.00 C ATOM 1714 CD2 LEU A 110 19.205 5.409 -5.599 1.00 0.00 C ATOM 0 H LEU A 110 17.458 5.021 -6.054 1.00 0.00 H new ATOM 0 HA LEU A 110 16.930 2.241 -5.952 1.00 0.00 H new ATOM 0 HB2 LEU A 110 19.479 2.297 -6.398 1.00 0.00 H new ATOM 0 HB3 LEU A 110 18.362 2.897 -7.608 1.00 0.00 H new ATOM 0 HG LEU A 110 20.614 4.166 -6.542 1.00 0.00 H new ATOM 0 HD11 LEU A 110 19.922 5.998 -8.107 1.00 0.00 H new ATOM 0 HD12 LEU A 110 19.716 4.387 -8.834 1.00 0.00 H new ATOM 0 HD13 LEU A 110 18.302 5.268 -8.209 1.00 0.00 H new ATOM 0 HD21 LEU A 110 19.801 6.314 -5.715 1.00 0.00 H new ATOM 0 HD22 LEU A 110 18.147 5.660 -5.669 1.00 0.00 H new ATOM 0 HD23 LEU A 110 19.409 4.963 -4.625 1.00 0.00 H new ATOM 1726 N ALA A 111 18.408 3.564 -3.441 1.00 0.00 N ATOM 1727 CA ALA A 111 18.843 3.378 -2.081 1.00 0.00 C ATOM 1728 C ALA A 111 17.637 3.228 -1.195 1.00 0.00 C ATOM 1729 O ALA A 111 17.636 2.451 -0.247 1.00 0.00 O ATOM 1730 CB ALA A 111 19.706 4.543 -1.685 1.00 0.00 C ATOM 0 H ALA A 111 18.355 4.543 -3.723 1.00 0.00 H new ATOM 0 HA ALA A 111 19.440 2.472 -1.977 1.00 0.00 H new ATOM 0 HB1 ALA A 111 20.042 4.414 -0.656 1.00 0.00 H new ATOM 0 HB2 ALA A 111 20.572 4.596 -2.345 1.00 0.00 H new ATOM 0 HB3 ALA A 111 19.131 5.466 -1.766 1.00 0.00 H new ATOM 1736 N GLN A 112 16.604 3.969 -1.520 1.00 0.00 N ATOM 1737 CA GLN A 112 15.372 3.918 -0.775 1.00 0.00 C ATOM 1738 C GLN A 112 14.508 2.825 -1.349 1.00 0.00 C ATOM 1739 O GLN A 112 13.470 2.464 -0.806 1.00 0.00 O ATOM 1740 CB GLN A 112 14.679 5.277 -0.856 1.00 0.00 C ATOM 1741 CG GLN A 112 13.371 5.348 -0.102 1.00 0.00 C ATOM 1742 CD GLN A 112 12.913 6.778 0.114 1.00 0.00 C ATOM 1743 OE1 GLN A 112 13.547 7.540 0.844 1.00 0.00 O ATOM 1744 NE2 GLN A 112 11.810 7.152 -0.523 1.00 0.00 N ATOM 0 H GLN A 112 16.595 4.621 -2.305 1.00 0.00 H new ATOM 0 HA GLN A 112 15.562 3.697 0.275 1.00 0.00 H new ATOM 0 HB2 GLN A 112 15.353 6.040 -0.466 1.00 0.00 H new ATOM 0 HB3 GLN A 112 14.496 5.518 -1.903 1.00 0.00 H new ATOM 0 HG2 GLN A 112 12.605 4.802 -0.653 1.00 0.00 H new ATOM 0 HG3 GLN A 112 13.482 4.854 0.863 1.00 0.00 H new ATOM 0 HE21 GLN A 112 11.315 6.488 -1.119 1.00 0.00 H new ATOM 0 HE22 GLN A 112 11.457 8.103 -0.417 1.00 0.00 H new ATOM 1753 N ARG A 113 15.041 2.216 -2.387 1.00 0.00 N ATOM 1754 CA ARG A 113 14.444 1.067 -2.979 1.00 0.00 C ATOM 1755 C ARG A 113 14.999 -0.071 -2.157 1.00 0.00 C ATOM 1756 O ARG A 113 14.245 -0.952 -1.748 1.00 0.00 O ATOM 1757 CB ARG A 113 14.812 0.999 -4.447 1.00 0.00 C ATOM 1758 CG ARG A 113 13.872 1.818 -5.312 1.00 0.00 C ATOM 1759 CD ARG A 113 13.752 1.226 -6.685 1.00 0.00 C ATOM 1760 NE ARG A 113 13.404 2.230 -7.684 1.00 0.00 N ATOM 1761 CZ ARG A 113 12.990 1.934 -8.909 1.00 0.00 C ATOM 1762 NH1 ARG A 113 12.809 0.668 -9.263 1.00 0.00 N ATOM 1763 NH2 ARG A 113 12.747 2.904 -9.779 1.00 0.00 N ATOM 0 H ARG A 113 15.906 2.516 -2.837 1.00 0.00 H new ATOM 0 HA ARG A 113 13.354 1.058 -2.970 1.00 0.00 H new ATOM 0 HB2 ARG A 113 15.832 1.358 -4.581 1.00 0.00 H new ATOM 0 HB3 ARG A 113 14.794 -0.040 -4.777 1.00 0.00 H new ATOM 0 HG2 ARG A 113 12.888 1.863 -4.844 1.00 0.00 H new ATOM 0 HG3 ARG A 113 14.238 2.842 -5.384 1.00 0.00 H new ATOM 0 HD2 ARG A 113 14.695 0.753 -6.960 1.00 0.00 H new ATOM 0 HD3 ARG A 113 12.993 0.444 -6.678 1.00 0.00 H new ATOM 0 HE ARG A 113 13.483 3.214 -7.427 1.00 0.00 H new ATOM 0 HH11 ARG A 113 12.988 -0.080 -8.593 1.00 0.00 H new ATOM 0 HH12 ARG A 113 12.491 0.442 -10.205 1.00 0.00 H new ATOM 0 HH21 ARG A 113 12.878 3.878 -9.507 1.00 0.00 H new ATOM 0 HH22 ARG A 113 12.429 2.676 -10.721 1.00 0.00 H new ATOM 1777 N ARG A 114 16.284 -0.035 -1.830 1.00 0.00 N ATOM 1778 CA ARG A 114 16.799 -1.072 -0.964 1.00 0.00 C ATOM 1779 C ARG A 114 16.279 -0.795 0.432 1.00 0.00 C ATOM 1780 O ARG A 114 15.795 -1.685 1.128 1.00 0.00 O ATOM 1781 CB ARG A 114 18.330 -1.161 -0.937 1.00 0.00 C ATOM 1782 CG ARG A 114 19.023 -0.107 -0.098 1.00 0.00 C ATOM 1783 CD ARG A 114 19.022 -0.504 1.368 1.00 0.00 C ATOM 1784 NE ARG A 114 19.428 0.600 2.235 1.00 0.00 N ATOM 1785 CZ ARG A 114 20.693 0.980 2.406 1.00 0.00 C ATOM 1786 NH1 ARG A 114 21.675 0.336 1.788 1.00 0.00 N ATOM 1787 NH2 ARG A 114 20.978 2.006 3.200 1.00 0.00 N ATOM 0 H ARG A 114 16.957 0.667 -2.137 1.00 0.00 H new ATOM 0 HA ARG A 114 16.458 -2.032 -1.352 1.00 0.00 H new ATOM 0 HB2 ARG A 114 18.614 -2.145 -0.563 1.00 0.00 H new ATOM 0 HB3 ARG A 114 18.700 -1.090 -1.960 1.00 0.00 H new ATOM 0 HG2 ARG A 114 20.048 0.024 -0.444 1.00 0.00 H new ATOM 0 HG3 ARG A 114 18.520 0.852 -0.221 1.00 0.00 H new ATOM 0 HD2 ARG A 114 18.025 -0.840 1.652 1.00 0.00 H new ATOM 0 HD3 ARG A 114 19.696 -1.348 1.516 1.00 0.00 H new ATOM 0 HE ARG A 114 18.701 1.109 2.738 1.00 0.00 H new ATOM 0 HH11 ARG A 114 21.463 -0.454 1.179 1.00 0.00 H new ATOM 0 HH12 ARG A 114 22.642 0.631 1.922 1.00 0.00 H new ATOM 0 HH21 ARG A 114 20.228 2.504 3.679 1.00 0.00 H new ATOM 0 HH22 ARG A 114 21.947 2.296 3.330 1.00 0.00 H new ATOM 1801 N GLY A 115 16.411 0.467 0.835 1.00 0.00 N ATOM 1802 CA GLY A 115 15.973 0.876 2.145 1.00 0.00 C ATOM 1803 C GLY A 115 14.622 0.308 2.484 1.00 0.00 C ATOM 1804 O GLY A 115 14.424 -0.143 3.608 1.00 0.00 O ATOM 0 H GLY A 115 16.817 1.212 0.269 1.00 0.00 H new ATOM 0 HA2 GLY A 115 16.701 0.552 2.889 1.00 0.00 H new ATOM 0 HA3 GLY A 115 15.932 1.964 2.191 1.00 0.00 H new ATOM 1808 N PHE A 116 13.689 0.313 1.567 1.00 0.00 N ATOM 1809 CA PHE A 116 12.383 -0.228 1.894 1.00 0.00 C ATOM 1810 C PHE A 116 12.387 -1.740 1.835 1.00 0.00 C ATOM 1811 O PHE A 116 11.565 -2.395 2.474 1.00 0.00 O ATOM 1812 CB PHE A 116 11.290 0.299 0.952 1.00 0.00 C ATOM 1813 CG PHE A 116 10.677 1.609 1.350 1.00 0.00 C ATOM 1814 CD1 PHE A 116 9.557 1.651 2.164 1.00 0.00 C ATOM 1815 CD2 PHE A 116 11.208 2.799 0.889 1.00 0.00 C ATOM 1816 CE1 PHE A 116 8.983 2.859 2.511 1.00 0.00 C ATOM 1817 CE2 PHE A 116 10.643 4.008 1.234 1.00 0.00 C ATOM 1818 CZ PHE A 116 9.529 4.040 2.046 1.00 0.00 C ATOM 0 H PHE A 116 13.795 0.671 0.618 1.00 0.00 H new ATOM 0 HA PHE A 116 12.162 0.100 2.910 1.00 0.00 H new ATOM 0 HB2 PHE A 116 11.714 0.404 -0.047 1.00 0.00 H new ATOM 0 HB3 PHE A 116 10.499 -0.448 0.886 1.00 0.00 H new ATOM 0 HD1 PHE A 116 9.128 0.730 2.531 1.00 0.00 H new ATOM 0 HD2 PHE A 116 12.078 2.781 0.249 1.00 0.00 H new ATOM 0 HE1 PHE A 116 8.109 2.880 3.145 1.00 0.00 H new ATOM 0 HE2 PHE A 116 11.072 4.929 0.869 1.00 0.00 H new ATOM 0 HZ PHE A 116 9.084 4.986 2.318 1.00 0.00 H new ATOM 1828 N THR A 117 13.341 -2.284 1.108 1.00 0.00 N ATOM 1829 CA THR A 117 13.463 -3.722 0.990 1.00 0.00 C ATOM 1830 C THR A 117 14.240 -4.296 2.162 1.00 0.00 C ATOM 1831 O THR A 117 14.185 -5.497 2.424 1.00 0.00 O ATOM 1832 CB THR A 117 14.108 -4.103 -0.358 1.00 0.00 C ATOM 1833 OG1 THR A 117 13.687 -5.390 -0.777 1.00 0.00 O ATOM 1834 CG2 THR A 117 15.623 -4.103 -0.353 1.00 0.00 C ATOM 0 H THR A 117 14.042 -1.753 0.591 1.00 0.00 H new ATOM 0 HA THR A 117 12.464 -4.157 1.015 1.00 0.00 H new ATOM 0 HB THR A 117 13.773 -3.325 -1.043 1.00 0.00 H new ATOM 0 HG1 THR A 117 14.108 -5.609 -1.635 1.00 0.00 H new ATOM 0 HG21 THR A 117 15.990 -4.382 -1.341 1.00 0.00 H new ATOM 0 HG22 THR A 117 15.986 -3.107 -0.099 1.00 0.00 H new ATOM 0 HG23 THR A 117 15.984 -4.820 0.384 1.00 0.00 H new ATOM 1842 N LYS A 118 15.013 -3.448 2.833 1.00 0.00 N ATOM 1843 CA LYS A 118 15.836 -3.917 3.933 1.00 0.00 C ATOM 1844 C LYS A 118 15.937 -2.989 5.144 1.00 0.00 C ATOM 1845 O LYS A 118 16.182 -3.433 6.264 1.00 0.00 O ATOM 1846 CB LYS A 118 17.252 -4.113 3.369 1.00 0.00 C ATOM 1847 CG LYS A 118 18.345 -3.303 4.057 1.00 0.00 C ATOM 1848 CD LYS A 118 19.714 -3.621 3.479 1.00 0.00 C ATOM 1849 CE LYS A 118 20.633 -2.413 3.520 1.00 0.00 C ATOM 1850 NZ LYS A 118 21.964 -2.710 2.926 1.00 0.00 N ATOM 0 H LYS A 118 15.084 -2.450 2.636 1.00 0.00 H new ATOM 0 HA LYS A 118 15.361 -4.823 4.309 1.00 0.00 H new ATOM 0 HB2 LYS A 118 17.509 -5.170 3.436 1.00 0.00 H new ATOM 0 HB3 LYS A 118 17.243 -3.854 2.310 1.00 0.00 H new ATOM 0 HG2 LYS A 118 18.138 -2.239 3.943 1.00 0.00 H new ATOM 0 HG3 LYS A 118 18.341 -3.516 5.126 1.00 0.00 H new ATOM 0 HD2 LYS A 118 20.164 -4.441 4.039 1.00 0.00 H new ATOM 0 HD3 LYS A 118 19.605 -3.961 2.449 1.00 0.00 H new ATOM 0 HE2 LYS A 118 20.171 -1.586 2.981 1.00 0.00 H new ATOM 0 HE3 LYS A 118 20.760 -2.088 4.553 1.00 0.00 H new ATOM 0 HZ1 LYS A 118 22.562 -1.861 2.973 1.00 0.00 H new ATOM 0 HZ2 LYS A 118 22.416 -3.482 3.456 1.00 0.00 H new ATOM 0 HZ3 LYS A 118 21.845 -2.995 1.933 1.00 0.00 H new ATOM 1864 N THR A 119 15.989 -1.710 4.850 1.00 0.00 N ATOM 1865 CA THR A 119 16.348 -0.700 5.841 1.00 0.00 C ATOM 1866 C THR A 119 15.278 0.166 6.498 1.00 0.00 C ATOM 1867 O THR A 119 15.601 0.863 7.464 1.00 0.00 O ATOM 1868 CB THR A 119 17.269 0.261 5.103 1.00 0.00 C ATOM 1869 OG1 THR A 119 17.566 -0.225 3.803 1.00 0.00 O ATOM 1870 CG2 THR A 119 18.613 0.461 5.738 1.00 0.00 C ATOM 0 H THR A 119 15.786 -1.333 3.924 1.00 0.00 H new ATOM 0 HA THR A 119 16.739 -1.279 6.678 1.00 0.00 H new ATOM 0 HB THR A 119 16.712 1.198 5.112 1.00 0.00 H new ATOM 0 HG1 THR A 119 18.470 -0.604 3.794 1.00 0.00 H new ATOM 0 HG21 THR A 119 19.197 1.161 5.141 1.00 0.00 H new ATOM 0 HG22 THR A 119 18.484 0.861 6.744 1.00 0.00 H new ATOM 0 HG23 THR A 119 19.136 -0.494 5.792 1.00 0.00 H new ATOM 1878 N TYR A 120 14.083 0.261 5.966 1.00 0.00 N ATOM 1879 CA TYR A 120 13.146 1.219 6.536 1.00 0.00 C ATOM 1880 C TYR A 120 12.120 0.661 7.529 1.00 0.00 C ATOM 1881 O TYR A 120 11.136 1.331 7.829 1.00 0.00 O ATOM 1882 CB TYR A 120 12.436 1.954 5.407 1.00 0.00 C ATOM 1883 CG TYR A 120 13.293 2.963 4.673 1.00 0.00 C ATOM 1884 CD1 TYR A 120 14.611 2.689 4.332 1.00 0.00 C ATOM 1885 CD2 TYR A 120 12.773 4.203 4.327 1.00 0.00 C ATOM 1886 CE1 TYR A 120 15.385 3.622 3.668 1.00 0.00 C ATOM 1887 CE2 TYR A 120 13.539 5.140 3.663 1.00 0.00 C ATOM 1888 CZ TYR A 120 14.845 4.846 3.336 1.00 0.00 C ATOM 1889 OH TYR A 120 15.614 5.775 2.671 1.00 0.00 O ATOM 0 H TYR A 120 13.740 -0.283 5.175 1.00 0.00 H new ATOM 0 HA TYR A 120 13.758 1.890 7.139 1.00 0.00 H new ATOM 0 HB2 TYR A 120 12.067 1.221 4.690 1.00 0.00 H new ATOM 0 HB3 TYR A 120 11.565 2.466 5.816 1.00 0.00 H new ATOM 0 HD1 TYR A 120 15.038 1.731 4.590 1.00 0.00 H new ATOM 0 HD2 TYR A 120 11.750 4.439 4.582 1.00 0.00 H new ATOM 0 HE1 TYR A 120 16.409 3.393 3.410 1.00 0.00 H new ATOM 0 HE2 TYR A 120 13.117 6.099 3.401 1.00 0.00 H new ATOM 0 HH TYR A 120 15.038 6.332 2.107 1.00 0.00 H new ATOM 1899 N THR A 121 12.339 -0.541 8.051 1.00 0.00 N ATOM 1900 CA THR A 121 11.406 -1.134 9.022 1.00 0.00 C ATOM 1901 C THR A 121 11.905 -1.052 10.478 1.00 0.00 C ATOM 1902 O THR A 121 11.171 -1.143 11.462 1.00 0.00 O ATOM 1903 CB THR A 121 11.057 -2.580 8.642 1.00 0.00 C ATOM 1904 OG1 THR A 121 11.391 -3.498 9.672 1.00 0.00 O ATOM 1905 CG2 THR A 121 11.744 -3.032 7.381 1.00 0.00 C ATOM 0 H THR A 121 13.144 -1.125 7.825 1.00 0.00 H new ATOM 0 HA THR A 121 10.499 -0.531 8.976 1.00 0.00 H new ATOM 0 HB THR A 121 9.979 -2.574 8.483 1.00 0.00 H new ATOM 0 HG1 THR A 121 11.152 -4.406 9.391 1.00 0.00 H new ATOM 0 HG21 THR A 121 11.460 -4.061 7.161 1.00 0.00 H new ATOM 0 HG22 THR A 121 11.445 -2.389 6.553 1.00 0.00 H new ATOM 0 HG23 THR A 121 12.824 -2.974 7.514 1.00 0.00 H new ATOM 1913 N VAL A 122 13.223 -0.803 10.492 1.00 0.00 N ATOM 1914 CA VAL A 122 13.976 -0.597 11.725 1.00 0.00 C ATOM 1915 C VAL A 122 14.621 0.781 11.737 1.00 0.00 C ATOM 1916 O VAL A 122 14.867 1.359 12.796 1.00 0.00 O ATOM 1917 CB VAL A 122 15.060 -1.675 11.935 1.00 0.00 C ATOM 1918 CG1 VAL A 122 15.514 -1.695 13.389 1.00 0.00 C ATOM 1919 CG2 VAL A 122 14.548 -3.044 11.513 1.00 0.00 C ATOM 0 H VAL A 122 13.791 -0.740 9.647 1.00 0.00 H new ATOM 0 HA VAL A 122 13.262 -0.674 12.545 1.00 0.00 H new ATOM 0 HB VAL A 122 15.917 -1.427 11.309 1.00 0.00 H new ATOM 0 HG11 VAL A 122 16.279 -2.461 13.521 1.00 0.00 H new ATOM 0 HG12 VAL A 122 15.926 -0.721 13.655 1.00 0.00 H new ATOM 0 HG13 VAL A 122 14.663 -1.917 14.033 1.00 0.00 H new ATOM 0 HG21 VAL A 122 15.329 -3.789 11.670 1.00 0.00 H new ATOM 0 HG22 VAL A 122 13.673 -3.305 12.109 1.00 0.00 H new ATOM 0 HG23 VAL A 122 14.275 -3.021 10.458 1.00 0.00 H new ATOM 1929 N GLY A 123 14.882 1.307 10.544 1.00 0.00 N ATOM 1930 CA GLY A 123 15.481 2.622 10.418 1.00 0.00 C ATOM 1931 C GLY A 123 14.619 3.531 9.569 1.00 0.00 C ATOM 1932 O GLY A 123 15.110 4.450 8.914 1.00 0.00 O ATOM 0 H GLY A 123 14.687 0.842 9.657 1.00 0.00 H new ATOM 0 HA2 GLY A 123 15.615 3.061 11.407 1.00 0.00 H new ATOM 0 HA3 GLY A 123 16.472 2.533 9.972 1.00 0.00 H new ATOM 1936 N CYS A 124 13.323 3.237 9.580 1.00 0.00 N ATOM 1937 CA CYS A 124 12.335 3.979 8.808 1.00 0.00 C ATOM 1938 C CYS A 124 12.612 5.477 8.815 1.00 0.00 C ATOM 1939 O CYS A 124 12.390 6.159 7.816 1.00 0.00 O ATOM 1940 CB CYS A 124 10.957 3.698 9.388 1.00 0.00 C ATOM 1941 SG CYS A 124 10.754 4.240 11.116 1.00 0.00 S ATOM 0 H CYS A 124 12.927 2.473 10.128 1.00 0.00 H new ATOM 0 HA CYS A 124 12.387 3.651 7.770 1.00 0.00 H new ATOM 0 HB2 CYS A 124 10.207 4.194 8.772 1.00 0.00 H new ATOM 0 HB3 CYS A 124 10.761 2.627 9.329 1.00 0.00 H new ATOM 1946 N GLU A 125 13.083 5.968 9.950 1.00 0.00 N ATOM 1947 CA GLU A 125 13.395 7.386 10.139 1.00 0.00 C ATOM 1948 C GLU A 125 14.074 8.010 8.929 1.00 0.00 C ATOM 1949 O GLU A 125 15.300 8.101 8.859 1.00 0.00 O ATOM 1950 CB GLU A 125 14.257 7.576 11.382 1.00 0.00 C ATOM 1951 CG GLU A 125 15.218 6.431 11.642 1.00 0.00 C ATOM 1952 CD GLU A 125 15.735 6.430 13.067 1.00 0.00 C ATOM 1953 OE1 GLU A 125 16.290 7.464 13.496 1.00 0.00 O ATOM 1954 OE2 GLU A 125 15.579 5.400 13.756 1.00 0.00 O ATOM 0 H GLU A 125 13.263 5.395 10.774 1.00 0.00 H new ATOM 0 HA GLU A 125 12.444 7.902 10.269 1.00 0.00 H new ATOM 0 HB2 GLU A 125 14.826 8.500 11.280 1.00 0.00 H new ATOM 0 HB3 GLU A 125 13.607 7.696 12.249 1.00 0.00 H new ATOM 0 HG2 GLU A 125 14.717 5.485 11.438 1.00 0.00 H new ATOM 0 HG3 GLU A 125 16.059 6.501 10.952 1.00 0.00 H new ATOM 1961 N GLU A 126 13.251 8.453 7.988 1.00 0.00 N ATOM 1962 CA GLU A 126 13.728 9.095 6.772 1.00 0.00 C ATOM 1963 C GLU A 126 14.703 10.226 7.087 1.00 0.00 C ATOM 1964 O GLU A 126 14.430 10.993 8.036 1.00 0.00 O ATOM 1965 CB GLU A 126 12.551 9.649 5.977 1.00 0.00 C ATOM 1966 CG GLU A 126 11.606 10.511 6.801 1.00 0.00 C ATOM 1967 CD GLU A 126 11.681 11.981 6.431 1.00 0.00 C ATOM 1968 OE1 GLU A 126 11.138 12.356 5.370 1.00 0.00 O ATOM 1969 OE2 GLU A 126 12.284 12.756 7.203 1.00 0.00 O ATOM 1970 OXT GLU A 126 15.723 10.343 6.378 1.00 0.00 O ATOM 0 H GLU A 126 12.236 8.377 8.047 1.00 0.00 H new ATOM 0 HA GLU A 126 14.251 8.342 6.182 1.00 0.00 H new ATOM 0 HB2 GLU A 126 12.933 10.239 5.144 1.00 0.00 H new ATOM 0 HB3 GLU A 126 11.990 8.818 5.549 1.00 0.00 H new ATOM 0 HG2 GLU A 126 10.584 10.157 6.662 1.00 0.00 H new ATOM 0 HG3 GLU A 126 11.843 10.394 7.858 1.00 0.00 H new TER 1977 GLU A 126