USER MOD reduce.3.24.130724 H: found=0, std=0, add=1050, rem=0, adj=39 USER MOD reduce.3.24.130724 removed 1045 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 113 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 114 HIS : no HE2:sc= 0.831 K(o=0.83,f=-2.5!) USER MOD Set 2.1: A 81 LYS NZ :NH3+ 155:sc= 0.6 (180deg=0) USER MOD Set 2.2: A 86 SER OG : rot -45:sc= 1.67 USER MOD Set 3.1: A 72 ASN : amide:sc= -0.341 X(o=-0.87,f=-1.3) USER MOD Set 3.2: A 95 MET CE :methyl -152:sc= -0.528 (180deg=-1.24) USER MOD Single : A 1 ILE N :NH3+ -125:sc= -0.875 (180deg=-2.5!) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 HIS : no HE2:sc= -0.219 X(o=-0.22,f=-0.2) USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 16 ASN : amide:sc= 0.0106 K(o=0.011,f=-6.5!) USER MOD Single : A 20 THR OG1 : rot 151:sc= 1.22 USER MOD Single : A 21 GLN : amide:sc= 0.348 X(o=0.35,f=-0.064) USER MOD Single : A 26 THR OG1 : rot -58:sc= -0.222 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 GLN : amide:sc= -0.115 K(o=-0.11,f=-0.99) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 48 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0.0749 USER MOD Single : A 55 THR OG1 : rot 180:sc= -0.206 USER MOD Single : A 57 SER OG : rot 180:sc= 0.0733 USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 60 THR OG1 : rot 180:sc= 0.00221 USER MOD Single : A 62 GLN : amide:sc= 0.0376 X(o=0.038,f=0) USER MOD Single : A 64 HIS : no HD1:sc= -0.282 X(o=-0.28,f=-0.0029) USER MOD Single : A 66 SER OG : rot 180:sc= -0.375 USER MOD Single : A 69 SER OG : rot 105:sc= 1.01 USER MOD Single : A 74 TYR OH : rot -47:sc= -0.189 USER MOD Single : A 75 MET CE :methyl 158:sc= -0.055 (180deg=-1.37) USER MOD Single : A 77 SER OG : rot 36:sc= 0.0244 USER MOD Single : A 78 TYR OH : rot -89:sc= 0.791 USER MOD Single : A 84 LYS NZ :NH3+ 169:sc= -0.153 (180deg=-0.197) USER MOD Single : A 89 THR OG1 : rot 180:sc= 0.0189 USER MOD Single : A 93 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 99 THR OG1 : rot 180:sc= -0.0594 USER MOD Single : A 103 GLN : amide:sc=-0.00941 X(o=-0.0094,f=0) USER MOD Single : A 108 TYR OH : rot -22:sc= 0.338 USER MOD Single : A 110 ASN : amide:sc= 0.848 K(o=0.85,f=0) USER MOD Single : A 118 THR OG1 : rot 18:sc= 0.421 USER MOD Single : A 121 GLN :FLIP amide:sc= -0.0276 F(o=-1,f=-0.028) USER MOD Single : A 122 MET CE :methyl -134:sc= -0.287 (180deg=-0.465) USER MOD Single : A 126 GLN : amide:sc= 0.341 K(o=0.34,f=-0.4) USER MOD Single : A 127 GLN : amide:sc= 1.15 K(o=1.2,f=-0.018) USER MOD Single : A 128 MET CE :methyl 176:sc= -0.499 (180deg=-0.677) USER MOD Single : A 129 GLN : amide:sc= -0.008 K(o=-0.008,f=-0.8) USER MOD Single : A 134 ASN : amide:sc= 1.32 K(o=1.3,f=-5.4!) USER MOD Single : A 137 THR OG1 : rot 180:sc= -0.0632 USER MOD Single : A 139 THR OG1 : rot 180:sc= 0 USER MOD Single : A 143 SER OG : rot 180:sc= 0 USER MOD Single : A 144 THR OG1 : rot -116:sc= 0.824 USER MOD ----------------------------------------------------------------- ATOM 1 N ILE A 1 18.011 -15.311 8.367 1.00 0.00 N ATOM 2 CA ILE A 1 19.155 -15.827 7.597 1.00 0.00 C ATOM 3 C ILE A 1 20.443 -15.379 8.305 1.00 0.00 C ATOM 4 O ILE A 1 20.356 -14.537 9.201 1.00 0.00 O ATOM 5 CB ILE A 1 19.075 -15.399 6.113 1.00 0.00 C ATOM 6 CG1 ILE A 1 19.441 -13.935 5.808 1.00 0.00 C ATOM 7 CG2 ILE A 1 17.718 -15.751 5.482 1.00 0.00 C ATOM 8 CD1 ILE A 1 18.658 -12.853 6.533 1.00 0.00 C ATOM 0 H1 ILE A 1 17.380 -16.098 8.620 1.00 0.00 H new ATOM 0 H2 ILE A 1 18.355 -14.851 9.234 1.00 0.00 H new ATOM 0 H3 ILE A 1 17.489 -14.620 7.792 1.00 0.00 H new ATOM 0 HA ILE A 1 19.144 -16.917 7.568 1.00 0.00 H new ATOM 0 HB ILE A 1 19.863 -15.990 5.647 1.00 0.00 H new ATOM 0 HG12 ILE A 1 20.498 -13.797 6.037 1.00 0.00 H new ATOM 0 HG13 ILE A 1 19.324 -13.775 4.736 1.00 0.00 H new ATOM 0 HG21 ILE A 1 17.708 -15.432 4.440 1.00 0.00 H new ATOM 0 HG22 ILE A 1 17.561 -16.828 5.533 1.00 0.00 H new ATOM 0 HG23 ILE A 1 16.921 -15.242 6.025 1.00 0.00 H new ATOM 0 HD11 ILE A 1 19.020 -11.873 6.223 1.00 0.00 H new ATOM 0 HD12 ILE A 1 17.600 -12.943 6.288 1.00 0.00 H new ATOM 0 HD13 ILE A 1 18.792 -12.966 7.609 1.00 0.00 H new ATOM 20 N PRO A 2 21.630 -15.939 8.011 1.00 0.00 N ATOM 21 CA PRO A 2 22.860 -15.465 8.629 1.00 0.00 C ATOM 22 C PRO A 2 23.351 -14.170 7.970 1.00 0.00 C ATOM 23 O PRO A 2 22.862 -13.771 6.914 1.00 0.00 O ATOM 24 CB PRO A 2 23.849 -16.603 8.426 1.00 0.00 C ATOM 25 CG PRO A 2 23.442 -17.176 7.073 1.00 0.00 C ATOM 26 CD PRO A 2 21.920 -17.060 7.124 1.00 0.00 C ATOM 0 HA PRO A 2 22.726 -15.220 9.683 1.00 0.00 H new ATOM 0 HB2 PRO A 2 24.879 -16.246 8.419 1.00 0.00 H new ATOM 0 HB3 PRO A 2 23.775 -17.348 9.218 1.00 0.00 H new ATOM 0 HG2 PRO A 2 23.867 -16.608 6.245 1.00 0.00 H new ATOM 0 HG3 PRO A 2 23.769 -18.209 6.952 1.00 0.00 H new ATOM 0 HD2 PRO A 2 21.509 -16.887 6.130 1.00 0.00 H new ATOM 0 HD3 PRO A 2 21.471 -17.980 7.499 1.00 0.00 H new ATOM 34 N LYS A 3 24.362 -13.548 8.583 1.00 0.00 N ATOM 35 CA LYS A 3 25.007 -12.329 8.096 1.00 0.00 C ATOM 36 C LYS A 3 25.607 -12.558 6.706 1.00 0.00 C ATOM 37 O LYS A 3 25.951 -13.694 6.368 1.00 0.00 O ATOM 38 CB LYS A 3 26.104 -11.849 9.069 1.00 0.00 C ATOM 39 CG LYS A 3 25.731 -11.884 10.562 1.00 0.00 C ATOM 40 CD LYS A 3 26.178 -13.188 11.254 1.00 0.00 C ATOM 41 CE LYS A 3 25.474 -13.391 12.601 1.00 0.00 C ATOM 42 NZ LYS A 3 25.880 -12.377 13.591 1.00 0.00 N ATOM 0 H LYS A 3 24.764 -13.889 9.456 1.00 0.00 H new ATOM 0 HA LYS A 3 24.243 -11.554 8.032 1.00 0.00 H new ATOM 0 HB2 LYS A 3 26.991 -12.465 8.920 1.00 0.00 H new ATOM 0 HB3 LYS A 3 26.377 -10.827 8.805 1.00 0.00 H new ATOM 0 HG2 LYS A 3 26.189 -11.033 11.067 1.00 0.00 H new ATOM 0 HG3 LYS A 3 24.652 -11.773 10.666 1.00 0.00 H new ATOM 0 HD2 LYS A 3 25.966 -14.036 10.602 1.00 0.00 H new ATOM 0 HD3 LYS A 3 27.257 -13.166 11.408 1.00 0.00 H new ATOM 0 HE2 LYS A 3 24.394 -13.346 12.457 1.00 0.00 H new ATOM 0 HE3 LYS A 3 25.703 -14.385 12.984 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 25.382 -12.549 14.488 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 26.906 -12.436 13.748 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 25.638 -11.430 13.237 1.00 0.00 H new ATOM 56 N HIS A 4 25.755 -11.491 5.927 1.00 0.00 N ATOM 57 CA HIS A 4 26.259 -11.486 4.557 1.00 0.00 C ATOM 58 C HIS A 4 27.656 -10.856 4.536 1.00 0.00 C ATOM 59 O HIS A 4 28.062 -10.247 5.528 1.00 0.00 O ATOM 60 CB HIS A 4 25.283 -10.709 3.649 1.00 0.00 C ATOM 61 CG HIS A 4 23.943 -11.379 3.438 1.00 0.00 C ATOM 62 ND1 HIS A 4 23.366 -11.687 2.222 1.00 0.00 N ATOM 63 CD2 HIS A 4 23.049 -11.731 4.414 1.00 0.00 C ATOM 64 CE1 HIS A 4 22.169 -12.240 2.466 1.00 0.00 C ATOM 65 NE2 HIS A 4 21.922 -12.272 3.787 1.00 0.00 N ATOM 0 H HIS A 4 25.513 -10.555 6.252 1.00 0.00 H new ATOM 0 HA HIS A 4 26.333 -12.506 4.180 1.00 0.00 H new ATOM 0 HB2 HIS A 4 25.116 -9.722 4.080 1.00 0.00 H new ATOM 0 HB3 HIS A 4 25.755 -10.558 2.678 1.00 0.00 H new ATOM 0 HD1 HIS A 4 23.777 -11.523 1.303 1.00 0.00 H new ATOM 0 HD2 HIS A 4 23.189 -11.612 5.478 1.00 0.00 H new ATOM 0 HE1 HIS A 4 21.496 -12.609 1.706 1.00 0.00 H new ATOM 73 N PRO A 5 28.423 -11.000 3.440 1.00 0.00 N ATOM 74 CA PRO A 5 29.604 -10.180 3.189 1.00 0.00 C ATOM 75 C PRO A 5 29.193 -8.726 2.873 1.00 0.00 C ATOM 76 O PRO A 5 29.347 -8.247 1.746 1.00 0.00 O ATOM 77 CB PRO A 5 30.339 -10.887 2.041 1.00 0.00 C ATOM 78 CG PRO A 5 29.199 -11.527 1.250 1.00 0.00 C ATOM 79 CD PRO A 5 28.232 -11.952 2.354 1.00 0.00 C ATOM 0 HA PRO A 5 30.264 -10.091 4.052 1.00 0.00 H new ATOM 0 HB2 PRO A 5 30.909 -10.185 1.432 1.00 0.00 H new ATOM 0 HB3 PRO A 5 31.043 -11.633 2.410 1.00 0.00 H new ATOM 0 HG2 PRO A 5 28.740 -10.822 0.557 1.00 0.00 H new ATOM 0 HG3 PRO A 5 29.541 -12.377 0.660 1.00 0.00 H new ATOM 0 HD2 PRO A 5 27.202 -11.937 1.998 1.00 0.00 H new ATOM 0 HD3 PRO A 5 28.440 -12.969 2.685 1.00 0.00 H new ATOM 87 N ASP A 6 28.617 -8.039 3.857 1.00 0.00 N ATOM 88 CA ASP A 6 28.453 -6.598 3.913 1.00 0.00 C ATOM 89 C ASP A 6 29.768 -5.976 4.394 1.00 0.00 C ATOM 90 O ASP A 6 30.761 -6.665 4.650 1.00 0.00 O ATOM 91 CB ASP A 6 27.259 -6.224 4.818 1.00 0.00 C ATOM 92 CG ASP A 6 27.439 -6.643 6.279 1.00 0.00 C ATOM 93 OD1 ASP A 6 28.311 -6.083 6.977 1.00 0.00 O ATOM 94 OD2 ASP A 6 26.749 -7.599 6.719 1.00 0.00 O ATOM 0 H ASP A 6 28.233 -8.504 4.680 1.00 0.00 H new ATOM 0 HA ASP A 6 28.225 -6.202 2.923 1.00 0.00 H new ATOM 0 HB2 ASP A 6 27.106 -5.146 4.775 1.00 0.00 H new ATOM 0 HB3 ASP A 6 26.356 -6.690 4.424 1.00 0.00 H new ATOM 99 N SER A 7 29.784 -4.650 4.445 1.00 0.00 N ATOM 100 CA SER A 7 30.837 -3.823 5.007 1.00 0.00 C ATOM 101 C SER A 7 30.280 -2.403 5.171 1.00 0.00 C ATOM 102 O SER A 7 29.151 -2.117 4.757 1.00 0.00 O ATOM 103 CB SER A 7 32.061 -3.834 4.075 1.00 0.00 C ATOM 104 OG SER A 7 33.243 -3.545 4.794 1.00 0.00 O ATOM 0 H SER A 7 29.015 -4.093 4.072 1.00 0.00 H new ATOM 0 HA SER A 7 31.157 -4.205 5.976 1.00 0.00 H new ATOM 0 HB2 SER A 7 32.150 -4.809 3.597 1.00 0.00 H new ATOM 0 HB3 SER A 7 31.925 -3.100 3.280 1.00 0.00 H new ATOM 0 HG SER A 7 34.009 -3.559 4.183 1.00 0.00 H new ATOM 110 N GLU A 8 31.076 -1.479 5.707 1.00 0.00 N ATOM 111 CA GLU A 8 30.675 -0.089 5.946 1.00 0.00 C ATOM 112 C GLU A 8 30.860 0.821 4.727 1.00 0.00 C ATOM 113 O GLU A 8 30.826 2.044 4.828 1.00 0.00 O ATOM 114 CB GLU A 8 31.373 0.471 7.192 1.00 0.00 C ATOM 115 CG GLU A 8 30.955 -0.307 8.449 1.00 0.00 C ATOM 116 CD GLU A 8 31.244 0.441 9.755 1.00 0.00 C ATOM 117 OE1 GLU A 8 32.397 0.886 9.939 1.00 0.00 O ATOM 118 OE2 GLU A 8 30.292 0.547 10.567 1.00 0.00 O ATOM 0 H GLU A 8 32.035 -1.677 5.993 1.00 0.00 H new ATOM 0 HA GLU A 8 29.601 -0.103 6.131 1.00 0.00 H new ATOM 0 HB2 GLU A 8 32.454 0.412 7.066 1.00 0.00 H new ATOM 0 HB3 GLU A 8 31.123 1.525 7.311 1.00 0.00 H new ATOM 0 HG2 GLU A 8 29.889 -0.526 8.393 1.00 0.00 H new ATOM 0 HG3 GLU A 8 31.477 -1.264 8.465 1.00 0.00 H new ATOM 125 N ALA A 9 31.034 0.225 3.551 1.00 0.00 N ATOM 126 CA ALA A 9 31.261 0.937 2.304 1.00 0.00 C ATOM 127 C ALA A 9 30.215 0.491 1.283 1.00 0.00 C ATOM 128 O ALA A 9 30.479 -0.398 0.471 1.00 0.00 O ATOM 129 CB ALA A 9 32.703 0.707 1.828 1.00 0.00 C ATOM 0 H ALA A 9 31.020 -0.789 3.439 1.00 0.00 H new ATOM 0 HA ALA A 9 31.148 2.012 2.443 1.00 0.00 H new ATOM 0 HB1 ALA A 9 32.867 1.243 0.893 1.00 0.00 H new ATOM 0 HB2 ALA A 9 33.398 1.073 2.583 1.00 0.00 H new ATOM 0 HB3 ALA A 9 32.868 -0.359 1.669 1.00 0.00 H new ATOM 135 N VAL A 10 29.016 1.074 1.336 1.00 0.00 N ATOM 136 CA VAL A 10 27.892 0.747 0.462 1.00 0.00 C ATOM 137 C VAL A 10 27.248 2.072 0.024 1.00 0.00 C ATOM 138 O VAL A 10 27.521 3.129 0.599 1.00 0.00 O ATOM 139 CB VAL A 10 26.918 -0.226 1.182 1.00 0.00 C ATOM 140 CG1 VAL A 10 25.861 -0.799 0.225 1.00 0.00 C ATOM 141 CG2 VAL A 10 27.642 -1.435 1.804 1.00 0.00 C ATOM 0 H VAL A 10 28.796 1.808 2.009 1.00 0.00 H new ATOM 0 HA VAL A 10 28.211 0.216 -0.435 1.00 0.00 H new ATOM 0 HB VAL A 10 26.452 0.379 1.959 1.00 0.00 H new ATOM 0 HG11 VAL A 10 25.202 -1.474 0.772 1.00 0.00 H new ATOM 0 HG12 VAL A 10 25.274 0.016 -0.199 1.00 0.00 H new ATOM 0 HG13 VAL A 10 26.355 -1.346 -0.578 1.00 0.00 H new ATOM 0 HG21 VAL A 10 26.915 -2.082 2.294 1.00 0.00 H new ATOM 0 HG22 VAL A 10 28.155 -1.994 1.021 1.00 0.00 H new ATOM 0 HG23 VAL A 10 28.369 -1.086 2.537 1.00 0.00 H new ATOM 151 N ALA A 11 26.429 2.032 -1.025 1.00 0.00 N ATOM 152 CA ALA A 11 25.667 3.175 -1.515 1.00 0.00 C ATOM 153 C ALA A 11 24.573 3.567 -0.512 1.00 0.00 C ATOM 154 O ALA A 11 24.197 2.757 0.339 1.00 0.00 O ATOM 155 CB ALA A 11 25.026 2.796 -2.853 1.00 0.00 C ATOM 0 H ALA A 11 26.274 1.183 -1.569 1.00 0.00 H new ATOM 0 HA ALA A 11 26.335 4.027 -1.642 1.00 0.00 H new ATOM 0 HB1 ALA A 11 24.452 3.641 -3.234 1.00 0.00 H new ATOM 0 HB2 ALA A 11 25.805 2.535 -3.569 1.00 0.00 H new ATOM 0 HB3 ALA A 11 24.364 1.942 -2.710 1.00 0.00 H new ATOM 161 N PRO A 12 24.001 4.775 -0.625 1.00 0.00 N ATOM 162 CA PRO A 12 22.732 5.085 0.009 1.00 0.00 C ATOM 163 C PRO A 12 21.625 4.328 -0.731 1.00 0.00 C ATOM 164 O PRO A 12 21.577 4.321 -1.967 1.00 0.00 O ATOM 165 CB PRO A 12 22.582 6.602 -0.086 1.00 0.00 C ATOM 166 CG PRO A 12 23.380 6.959 -1.340 1.00 0.00 C ATOM 167 CD PRO A 12 24.476 5.897 -1.418 1.00 0.00 C ATOM 0 HA PRO A 12 22.676 4.781 1.054 1.00 0.00 H new ATOM 0 HB2 PRO A 12 21.537 6.897 -0.177 1.00 0.00 H new ATOM 0 HB3 PRO A 12 22.978 7.101 0.798 1.00 0.00 H new ATOM 0 HG2 PRO A 12 22.749 6.943 -2.229 1.00 0.00 H new ATOM 0 HG3 PRO A 12 23.804 7.961 -1.268 1.00 0.00 H new ATOM 0 HD2 PRO A 12 24.656 5.597 -2.450 1.00 0.00 H new ATOM 0 HD3 PRO A 12 25.419 6.280 -1.028 1.00 0.00 H new ATOM 175 N ASP A 13 20.748 3.696 0.040 1.00 0.00 N ATOM 176 CA ASP A 13 19.565 2.950 -0.406 1.00 0.00 C ATOM 177 C ASP A 13 18.464 3.956 -0.798 1.00 0.00 C ATOM 178 O ASP A 13 18.589 5.158 -0.521 1.00 0.00 O ATOM 179 CB ASP A 13 19.112 1.993 0.725 1.00 0.00 C ATOM 180 CG ASP A 13 19.093 0.513 0.311 1.00 0.00 C ATOM 181 OD1 ASP A 13 20.124 -0.005 -0.178 1.00 0.00 O ATOM 182 OD2 ASP A 13 18.030 -0.141 0.435 1.00 0.00 O ATOM 0 H ASP A 13 20.845 3.687 1.055 1.00 0.00 H new ATOM 0 HA ASP A 13 19.790 2.341 -1.281 1.00 0.00 H new ATOM 0 HB2 ASP A 13 19.778 2.114 1.579 1.00 0.00 H new ATOM 0 HB3 ASP A 13 18.114 2.282 1.055 1.00 0.00 H new ATOM 187 N PRO A 14 17.408 3.533 -1.509 1.00 0.00 N ATOM 188 CA PRO A 14 16.262 4.373 -1.850 1.00 0.00 C ATOM 189 C PRO A 14 15.381 4.643 -0.610 1.00 0.00 C ATOM 190 O PRO A 14 15.796 4.407 0.523 1.00 0.00 O ATOM 191 CB PRO A 14 15.562 3.620 -2.995 1.00 0.00 C ATOM 192 CG PRO A 14 15.936 2.154 -2.779 1.00 0.00 C ATOM 193 CD PRO A 14 17.283 2.209 -2.084 1.00 0.00 C ATOM 0 HA PRO A 14 16.534 5.376 -2.179 1.00 0.00 H new ATOM 0 HB2 PRO A 14 14.482 3.763 -2.961 1.00 0.00 H new ATOM 0 HB3 PRO A 14 15.900 3.976 -3.968 1.00 0.00 H new ATOM 0 HG2 PRO A 14 15.194 1.640 -2.168 1.00 0.00 H new ATOM 0 HG3 PRO A 14 15.998 1.616 -3.725 1.00 0.00 H new ATOM 0 HD2 PRO A 14 17.349 1.444 -1.310 1.00 0.00 H new ATOM 0 HD3 PRO A 14 18.090 2.018 -2.791 1.00 0.00 H new ATOM 201 N PHE A 15 14.160 5.148 -0.834 1.00 0.00 N ATOM 202 CA PHE A 15 13.088 5.305 0.152 1.00 0.00 C ATOM 203 C PHE A 15 13.419 6.310 1.271 1.00 0.00 C ATOM 204 O PHE A 15 13.827 5.940 2.373 1.00 0.00 O ATOM 205 CB PHE A 15 12.657 3.933 0.706 1.00 0.00 C ATOM 206 CG PHE A 15 12.185 2.910 -0.315 1.00 0.00 C ATOM 207 CD1 PHE A 15 10.994 3.144 -1.022 1.00 0.00 C ATOM 208 CD2 PHE A 15 12.877 1.698 -0.511 1.00 0.00 C ATOM 209 CE1 PHE A 15 10.461 2.165 -1.875 1.00 0.00 C ATOM 210 CE2 PHE A 15 12.343 0.715 -1.370 1.00 0.00 C ATOM 211 CZ PHE A 15 11.131 0.946 -2.042 1.00 0.00 C ATOM 0 H PHE A 15 13.881 5.475 -1.759 1.00 0.00 H new ATOM 0 HA PHE A 15 12.240 5.744 -0.373 1.00 0.00 H new ATOM 0 HB2 PHE A 15 13.497 3.506 1.254 1.00 0.00 H new ATOM 0 HB3 PHE A 15 11.855 4.092 1.426 1.00 0.00 H new ATOM 0 HD1 PHE A 15 10.482 4.088 -0.908 1.00 0.00 H new ATOM 0 HD2 PHE A 15 13.814 1.522 -0.004 1.00 0.00 H new ATOM 0 HE1 PHE A 15 9.536 2.351 -2.401 1.00 0.00 H new ATOM 0 HE2 PHE A 15 12.868 -0.218 -1.512 1.00 0.00 H new ATOM 0 HZ PHE A 15 10.716 0.185 -2.686 1.00 0.00 H new ATOM 221 N ASN A 16 13.196 7.604 1.024 1.00 0.00 N ATOM 222 CA ASN A 16 13.371 8.663 2.019 1.00 0.00 C ATOM 223 C ASN A 16 12.087 8.945 2.814 1.00 0.00 C ATOM 224 O ASN A 16 11.002 8.938 2.233 1.00 0.00 O ATOM 225 CB ASN A 16 13.868 9.979 1.383 1.00 0.00 C ATOM 226 CG ASN A 16 13.252 10.462 0.083 1.00 0.00 C ATOM 227 OD1 ASN A 16 12.761 9.687 -0.724 1.00 0.00 O ATOM 228 ND2 ASN A 16 13.304 11.756 -0.186 1.00 0.00 N ATOM 0 H ASN A 16 12.885 7.949 0.116 1.00 0.00 H new ATOM 0 HA ASN A 16 14.129 8.289 2.707 1.00 0.00 H new ATOM 0 HB2 ASN A 16 13.733 10.769 2.121 1.00 0.00 H new ATOM 0 HB3 ASN A 16 14.941 9.877 1.218 1.00 0.00 H new ATOM 0 HD21 ASN A 16 12.934 12.109 -1.069 1.00 0.00 H new ATOM 0 HD22 ASN A 16 13.714 12.401 0.489 1.00 0.00 H new ATOM 235 N PRO A 17 12.186 9.349 4.099 1.00 0.00 N ATOM 236 CA PRO A 17 11.050 9.863 4.867 1.00 0.00 C ATOM 237 C PRO A 17 10.548 11.181 4.266 1.00 0.00 C ATOM 238 O PRO A 17 9.342 11.424 4.195 1.00 0.00 O ATOM 239 CB PRO A 17 11.571 10.056 6.298 1.00 0.00 C ATOM 240 CG PRO A 17 13.072 10.267 6.116 1.00 0.00 C ATOM 241 CD PRO A 17 13.400 9.399 4.903 1.00 0.00 C ATOM 0 HA PRO A 17 10.201 9.179 4.850 1.00 0.00 H new ATOM 0 HB2 PRO A 17 11.103 10.913 6.782 1.00 0.00 H new ATOM 0 HB3 PRO A 17 11.362 9.186 6.920 1.00 0.00 H new ATOM 0 HG2 PRO A 17 13.313 11.315 5.939 1.00 0.00 H new ATOM 0 HG3 PRO A 17 13.633 9.956 6.998 1.00 0.00 H new ATOM 0 HD2 PRO A 17 14.227 9.823 4.333 1.00 0.00 H new ATOM 0 HD3 PRO A 17 13.704 8.399 5.211 1.00 0.00 H new ATOM 249 N ALA A 18 11.470 12.011 3.761 1.00 0.00 N ATOM 250 CA ALA A 18 11.226 13.254 3.035 1.00 0.00 C ATOM 251 C ALA A 18 10.572 13.032 1.653 1.00 0.00 C ATOM 252 O ALA A 18 10.633 13.898 0.776 1.00 0.00 O ATOM 253 CB ALA A 18 12.554 14.011 2.928 1.00 0.00 C ATOM 0 H ALA A 18 12.467 11.816 3.857 1.00 0.00 H new ATOM 0 HA ALA A 18 10.501 13.849 3.590 1.00 0.00 H new ATOM 0 HB1 ALA A 18 12.398 14.945 2.389 1.00 0.00 H new ATOM 0 HB2 ALA A 18 12.931 14.228 3.928 1.00 0.00 H new ATOM 0 HB3 ALA A 18 13.279 13.399 2.392 1.00 0.00 H new ATOM 259 N ALA A 19 9.914 11.900 1.429 1.00 0.00 N ATOM 260 CA ALA A 19 9.070 11.646 0.274 1.00 0.00 C ATOM 261 C ALA A 19 7.621 11.403 0.677 1.00 0.00 C ATOM 262 O ALA A 19 6.728 11.605 -0.143 1.00 0.00 O ATOM 263 CB ALA A 19 9.692 10.500 -0.514 1.00 0.00 C ATOM 0 H ALA A 19 9.957 11.108 2.071 1.00 0.00 H new ATOM 0 HA ALA A 19 9.025 12.523 -0.371 1.00 0.00 H new ATOM 0 HB1 ALA A 19 9.079 10.286 -1.389 1.00 0.00 H new ATOM 0 HB2 ALA A 19 10.696 10.781 -0.834 1.00 0.00 H new ATOM 0 HB3 ALA A 19 9.747 9.613 0.117 1.00 0.00 H new ATOM 269 N THR A 20 7.355 11.075 1.938 1.00 0.00 N ATOM 270 CA THR A 20 6.007 10.802 2.408 1.00 0.00 C ATOM 271 C THR A 20 5.161 12.085 2.502 1.00 0.00 C ATOM 272 O THR A 20 3.943 12.001 2.577 1.00 0.00 O ATOM 273 CB THR A 20 6.108 10.020 3.723 1.00 0.00 C ATOM 274 OG1 THR A 20 7.123 9.038 3.603 1.00 0.00 O ATOM 275 CG2 THR A 20 4.807 9.291 4.048 1.00 0.00 C ATOM 0 H THR A 20 8.070 10.992 2.660 1.00 0.00 H new ATOM 0 HA THR A 20 5.470 10.184 1.688 1.00 0.00 H new ATOM 0 HB THR A 20 6.327 10.737 4.514 1.00 0.00 H new ATOM 0 HG1 THR A 20 7.521 8.870 4.483 1.00 0.00 H new ATOM 0 HG21 THR A 20 4.919 8.749 4.987 1.00 0.00 H new ATOM 0 HG22 THR A 20 3.998 10.015 4.141 1.00 0.00 H new ATOM 0 HG23 THR A 20 4.574 8.588 3.248 1.00 0.00 H new ATOM 283 N GLN A 21 5.774 13.271 2.431 1.00 0.00 N ATOM 284 CA GLN A 21 5.103 14.573 2.520 1.00 0.00 C ATOM 285 C GLN A 21 4.432 15.025 1.222 1.00 0.00 C ATOM 286 O GLN A 21 3.929 16.145 1.167 1.00 0.00 O ATOM 287 CB GLN A 21 6.126 15.616 2.984 1.00 0.00 C ATOM 288 CG GLN A 21 6.994 16.207 1.866 1.00 0.00 C ATOM 289 CD GLN A 21 8.350 16.681 2.358 1.00 0.00 C ATOM 290 OE1 GLN A 21 8.447 17.603 3.159 1.00 0.00 O ATOM 291 NE2 GLN A 21 9.426 16.063 1.903 1.00 0.00 N ATOM 0 H GLN A 21 6.783 13.354 2.306 1.00 0.00 H new ATOM 0 HA GLN A 21 4.290 14.468 3.239 1.00 0.00 H new ATOM 0 HB2 GLN A 21 5.596 16.428 3.481 1.00 0.00 H new ATOM 0 HB3 GLN A 21 6.778 15.159 3.728 1.00 0.00 H new ATOM 0 HG2 GLN A 21 7.137 15.456 1.089 1.00 0.00 H new ATOM 0 HG3 GLN A 21 6.467 17.044 1.408 1.00 0.00 H new ATOM 0 HE21 GLN A 21 9.331 15.297 1.236 1.00 0.00 H new ATOM 0 HE22 GLN A 21 10.352 16.352 2.218 1.00 0.00 H new ATOM 300 N LEU A 22 4.475 14.207 0.171 1.00 0.00 N ATOM 301 CA LEU A 22 3.849 14.499 -1.121 1.00 0.00 C ATOM 302 C LEU A 22 2.609 13.628 -1.322 1.00 0.00 C ATOM 303 O LEU A 22 1.969 13.665 -2.374 1.00 0.00 O ATOM 304 CB LEU A 22 4.848 14.274 -2.267 1.00 0.00 C ATOM 305 CG LEU A 22 6.117 15.150 -2.297 1.00 0.00 C ATOM 306 CD1 LEU A 22 5.948 16.546 -1.685 1.00 0.00 C ATOM 307 CD2 LEU A 22 7.305 14.454 -1.622 1.00 0.00 C ATOM 0 H LEU A 22 4.954 13.307 0.192 1.00 0.00 H new ATOM 0 HA LEU A 22 3.545 15.546 -1.126 1.00 0.00 H new ATOM 0 HB2 LEU A 22 5.162 13.231 -2.238 1.00 0.00 H new ATOM 0 HB3 LEU A 22 4.317 14.421 -3.208 1.00 0.00 H new ATOM 0 HG LEU A 22 6.313 15.288 -3.360 1.00 0.00 H new ATOM 0 HD11 LEU A 22 6.891 17.089 -1.751 1.00 0.00 H new ATOM 0 HD12 LEU A 22 5.177 17.091 -2.229 1.00 0.00 H new ATOM 0 HD13 LEU A 22 5.656 16.452 -0.639 1.00 0.00 H new ATOM 0 HD21 LEU A 22 8.179 15.104 -1.664 1.00 0.00 H new ATOM 0 HD22 LEU A 22 7.060 14.243 -0.581 1.00 0.00 H new ATOM 0 HD23 LEU A 22 7.522 13.520 -2.140 1.00 0.00 H new ATOM 319 N LEU A 23 2.275 12.820 -0.316 1.00 0.00 N ATOM 320 CA LEU A 23 1.189 11.843 -0.345 1.00 0.00 C ATOM 321 C LEU A 23 -0.190 12.515 -0.278 1.00 0.00 C ATOM 322 O LEU A 23 -1.194 11.825 -0.400 1.00 0.00 O ATOM 323 CB LEU A 23 1.390 10.826 0.792 1.00 0.00 C ATOM 324 CG LEU A 23 2.427 9.707 0.531 1.00 0.00 C ATOM 325 CD1 LEU A 23 1.822 8.528 -0.224 1.00 0.00 C ATOM 326 CD2 LEU A 23 3.673 10.120 -0.265 1.00 0.00 C ATOM 0 H LEU A 23 2.773 12.829 0.574 1.00 0.00 H new ATOM 0 HA LEU A 23 1.218 11.314 -1.298 1.00 0.00 H new ATOM 0 HB2 LEU A 23 1.690 11.369 1.688 1.00 0.00 H new ATOM 0 HB3 LEU A 23 0.429 10.359 1.008 1.00 0.00 H new ATOM 0 HG LEU A 23 2.733 9.445 1.544 1.00 0.00 H new ATOM 0 HD11 LEU A 23 2.586 7.768 -0.384 1.00 0.00 H new ATOM 0 HD12 LEU A 23 1.005 8.103 0.359 1.00 0.00 H new ATOM 0 HD13 LEU A 23 1.442 8.869 -1.187 1.00 0.00 H new ATOM 0 HD21 LEU A 23 4.329 9.258 -0.388 1.00 0.00 H new ATOM 0 HD22 LEU A 23 3.372 10.490 -1.245 1.00 0.00 H new ATOM 0 HD23 LEU A 23 4.204 10.906 0.272 1.00 0.00 H new ATOM 338 N ASP A 24 -0.237 13.843 -0.134 1.00 0.00 N ATOM 339 CA ASP A 24 -1.423 14.711 -0.080 1.00 0.00 C ATOM 340 C ASP A 24 -2.262 14.681 -1.362 1.00 0.00 C ATOM 341 O ASP A 24 -3.373 15.210 -1.386 1.00 0.00 O ATOM 342 CB ASP A 24 -0.970 16.168 0.133 1.00 0.00 C ATOM 343 CG ASP A 24 -0.671 16.494 1.590 1.00 0.00 C ATOM 344 OD1 ASP A 24 -1.626 16.652 2.379 1.00 0.00 O ATOM 345 OD2 ASP A 24 0.522 16.620 1.953 1.00 0.00 O ATOM 0 H ASP A 24 0.622 14.385 -0.045 1.00 0.00 H new ATOM 0 HA ASP A 24 -2.039 14.337 0.738 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -0.079 16.356 -0.465 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -1.746 16.841 -0.232 1.00 0.00 H new ATOM 350 N ASP A 25 -1.708 14.132 -2.439 1.00 0.00 N ATOM 351 CA ASP A 25 -2.227 14.189 -3.808 1.00 0.00 C ATOM 352 C ASP A 25 -2.274 12.816 -4.475 1.00 0.00 C ATOM 353 O ASP A 25 -2.940 12.626 -5.490 1.00 0.00 O ATOM 354 CB ASP A 25 -1.333 15.164 -4.597 1.00 0.00 C ATOM 355 CG ASP A 25 -1.113 14.765 -6.059 1.00 0.00 C ATOM 356 OD1 ASP A 25 -0.113 14.050 -6.332 1.00 0.00 O ATOM 357 OD2 ASP A 25 -1.857 15.240 -6.941 1.00 0.00 O ATOM 0 H ASP A 25 -0.836 13.605 -2.380 1.00 0.00 H new ATOM 0 HA ASP A 25 -3.260 14.537 -3.791 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -1.781 16.157 -4.566 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -0.365 15.235 -4.101 1.00 0.00 H new ATOM 362 N THR A 26 -1.539 11.861 -3.919 1.00 0.00 N ATOM 363 CA THR A 26 -1.276 10.567 -4.530 1.00 0.00 C ATOM 364 C THR A 26 -2.530 9.690 -4.535 1.00 0.00 C ATOM 365 O THR A 26 -3.543 10.018 -3.920 1.00 0.00 O ATOM 366 CB THR A 26 -0.129 9.904 -3.778 1.00 0.00 C ATOM 367 OG1 THR A 26 -0.442 9.693 -2.417 1.00 0.00 O ATOM 368 CG2 THR A 26 1.175 10.694 -3.870 1.00 0.00 C ATOM 0 H THR A 26 -1.098 11.970 -3.006 1.00 0.00 H new ATOM 0 HA THR A 26 -0.992 10.703 -5.574 1.00 0.00 H new ATOM 0 HB THR A 26 0.016 8.942 -4.269 1.00 0.00 H new ATOM 0 HG1 THR A 26 -0.663 10.550 -1.995 1.00 0.00 H new ATOM 0 HG21 THR A 26 1.956 10.173 -3.316 1.00 0.00 H new ATOM 0 HG22 THR A 26 1.472 10.786 -4.915 1.00 0.00 H new ATOM 0 HG23 THR A 26 1.029 11.687 -3.445 1.00 0.00 H new ATOM 376 N SER A 27 -2.457 8.545 -5.208 1.00 0.00 N ATOM 377 CA SER A 27 -3.561 7.619 -5.282 1.00 0.00 C ATOM 378 C SER A 27 -3.080 6.188 -5.257 1.00 0.00 C ATOM 379 O SER A 27 -3.418 5.474 -4.334 1.00 0.00 O ATOM 380 CB SER A 27 -4.364 7.894 -6.549 1.00 0.00 C ATOM 381 OG SER A 27 -4.982 9.168 -6.574 1.00 0.00 O ATOM 0 H SER A 27 -1.626 8.241 -5.715 1.00 0.00 H new ATOM 0 HA SER A 27 -4.198 7.763 -4.409 1.00 0.00 H new ATOM 0 HB2 SER A 27 -3.704 7.805 -7.412 1.00 0.00 H new ATOM 0 HB3 SER A 27 -5.131 7.127 -6.654 1.00 0.00 H new ATOM 0 HG SER A 27 -5.476 9.275 -7.413 1.00 0.00 H new ATOM 387 N TRP A 28 -2.229 5.794 -6.194 1.00 0.00 N ATOM 388 CA TRP A 28 -1.646 4.471 -6.305 1.00 0.00 C ATOM 389 C TRP A 28 -2.670 3.358 -6.569 1.00 0.00 C ATOM 390 O TRP A 28 -3.884 3.569 -6.589 1.00 0.00 O ATOM 391 CB TRP A 28 -0.739 4.138 -5.102 1.00 0.00 C ATOM 392 CG TRP A 28 0.009 5.236 -4.406 1.00 0.00 C ATOM 393 CD1 TRP A 28 -0.490 6.005 -3.413 1.00 0.00 C ATOM 394 CD2 TRP A 28 1.390 5.668 -4.589 1.00 0.00 C ATOM 395 NE1 TRP A 28 0.470 6.903 -3.000 1.00 0.00 N ATOM 396 CE2 TRP A 28 1.633 6.780 -3.732 1.00 0.00 C ATOM 397 CE3 TRP A 28 2.467 5.232 -5.387 1.00 0.00 C ATOM 398 CZ2 TRP A 28 2.846 7.490 -3.758 1.00 0.00 C ATOM 399 CZ3 TRP A 28 3.677 5.948 -5.439 1.00 0.00 C ATOM 400 CH2 TRP A 28 3.857 7.093 -4.648 1.00 0.00 C ATOM 0 H TRP A 28 -1.913 6.422 -6.933 1.00 0.00 H new ATOM 0 HA TRP A 28 -1.019 4.508 -7.196 1.00 0.00 H new ATOM 0 HB2 TRP A 28 -1.359 3.643 -4.355 1.00 0.00 H new ATOM 0 HB3 TRP A 28 -0.004 3.408 -5.441 1.00 0.00 H new ATOM 0 HD1 TRP A 28 -1.487 5.928 -3.006 1.00 0.00 H new ATOM 0 HE1 TRP A 28 0.337 7.576 -2.245 1.00 0.00 H new ATOM 0 HE3 TRP A 28 2.361 4.329 -5.971 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 2.999 8.333 -3.100 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 4.471 5.615 -6.091 1.00 0.00 H new ATOM 0 HH2 TRP A 28 4.769 7.666 -4.723 1.00 0.00 H new ATOM 411 N VAL A 29 -2.162 2.155 -6.808 1.00 0.00 N ATOM 412 CA VAL A 29 -2.913 0.924 -6.994 1.00 0.00 C ATOM 413 C VAL A 29 -2.071 -0.156 -6.324 1.00 0.00 C ATOM 414 O VAL A 29 -0.870 -0.233 -6.586 1.00 0.00 O ATOM 415 CB VAL A 29 -3.115 0.653 -8.498 1.00 0.00 C ATOM 416 CG1 VAL A 29 -3.875 -0.657 -8.734 1.00 0.00 C ATOM 417 CG2 VAL A 29 -3.886 1.779 -9.195 1.00 0.00 C ATOM 0 H VAL A 29 -1.156 2.006 -6.881 1.00 0.00 H new ATOM 0 HA VAL A 29 -3.912 0.964 -6.559 1.00 0.00 H new ATOM 0 HB VAL A 29 -2.113 0.588 -8.922 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -4.000 -0.817 -9.805 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -3.312 -1.486 -8.306 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -4.854 -0.600 -8.259 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -4.002 1.540 -10.252 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -4.869 1.884 -8.737 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -3.336 2.714 -9.092 1.00 0.00 H new ATOM 427 N LEU A 30 -2.667 -0.935 -5.424 1.00 0.00 N ATOM 428 CA LEU A 30 -2.000 -2.037 -4.745 1.00 0.00 C ATOM 429 C LEU A 30 -1.772 -3.157 -5.765 1.00 0.00 C ATOM 430 O LEU A 30 -2.677 -3.469 -6.551 1.00 0.00 O ATOM 431 CB LEU A 30 -2.900 -2.529 -3.607 1.00 0.00 C ATOM 432 CG LEU A 30 -2.245 -3.661 -2.808 1.00 0.00 C ATOM 433 CD1 LEU A 30 -1.071 -3.213 -1.952 1.00 0.00 C ATOM 434 CD2 LEU A 30 -3.277 -4.406 -1.966 1.00 0.00 C ATOM 0 H LEU A 30 -3.640 -0.815 -5.144 1.00 0.00 H new ATOM 0 HA LEU A 30 -1.043 -1.722 -4.329 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -3.128 -1.698 -2.939 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -3.848 -2.876 -4.018 1.00 0.00 H new ATOM 0 HG LEU A 30 -1.830 -4.343 -3.550 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -0.662 -4.071 -1.418 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -0.300 -2.781 -2.590 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -1.409 -2.466 -1.234 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -2.785 -5.204 -1.409 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -3.746 -3.713 -1.268 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -4.038 -4.835 -2.618 1.00 0.00 H new ATOM 446 N SER A 31 -0.599 -3.796 -5.746 1.00 0.00 N ATOM 447 CA SER A 31 -0.288 -4.834 -6.719 1.00 0.00 C ATOM 448 C SER A 31 0.550 -6.000 -6.183 1.00 0.00 C ATOM 449 O SER A 31 0.479 -7.092 -6.760 1.00 0.00 O ATOM 450 CB SER A 31 0.419 -4.130 -7.898 1.00 0.00 C ATOM 451 OG SER A 31 0.632 -4.986 -8.998 1.00 0.00 O ATOM 0 H SER A 31 0.143 -3.611 -5.071 1.00 0.00 H new ATOM 0 HA SER A 31 -1.219 -5.314 -7.019 1.00 0.00 H new ATOM 0 HB2 SER A 31 -0.180 -3.277 -8.218 1.00 0.00 H new ATOM 0 HB3 SER A 31 1.377 -3.737 -7.559 1.00 0.00 H new ATOM 0 HG SER A 31 1.080 -4.491 -9.716 1.00 0.00 H new ATOM 457 N ALA A 32 1.285 -5.857 -5.076 1.00 0.00 N ATOM 458 CA ALA A 32 1.773 -7.023 -4.342 1.00 0.00 C ATOM 459 C ALA A 32 1.521 -6.828 -2.870 1.00 0.00 C ATOM 460 O ALA A 32 1.482 -5.699 -2.386 1.00 0.00 O ATOM 461 CB ALA A 32 3.258 -7.341 -4.595 1.00 0.00 C ATOM 0 H ALA A 32 1.551 -4.958 -4.675 1.00 0.00 H new ATOM 0 HA ALA A 32 1.219 -7.885 -4.714 1.00 0.00 H new ATOM 0 HB1 ALA A 32 3.546 -8.218 -4.016 1.00 0.00 H new ATOM 0 HB2 ALA A 32 3.412 -7.540 -5.656 1.00 0.00 H new ATOM 0 HB3 ALA A 32 3.869 -6.490 -4.293 1.00 0.00 H new ATOM 467 N TRP A 33 1.436 -7.949 -2.169 1.00 0.00 N ATOM 468 CA TRP A 33 1.367 -8.036 -0.736 1.00 0.00 C ATOM 469 C TRP A 33 2.311 -9.161 -0.374 1.00 0.00 C ATOM 470 O TRP A 33 1.967 -10.336 -0.481 1.00 0.00 O ATOM 471 CB TRP A 33 -0.065 -8.322 -0.290 1.00 0.00 C ATOM 472 CG TRP A 33 -0.350 -8.107 1.157 1.00 0.00 C ATOM 473 CD1 TRP A 33 0.497 -8.267 2.201 1.00 0.00 C ATOM 474 CD2 TRP A 33 -1.615 -7.688 1.728 1.00 0.00 C ATOM 475 NE1 TRP A 33 -0.176 -8.037 3.381 1.00 0.00 N ATOM 476 CE2 TRP A 33 -1.489 -7.678 3.147 1.00 0.00 C ATOM 477 CE3 TRP A 33 -2.855 -7.319 1.166 1.00 0.00 C ATOM 478 CZ2 TRP A 33 -2.571 -7.353 3.973 1.00 0.00 C ATOM 479 CZ3 TRP A 33 -3.940 -6.968 1.993 1.00 0.00 C ATOM 480 CH2 TRP A 33 -3.800 -6.999 3.393 1.00 0.00 C ATOM 0 H TRP A 33 1.413 -8.865 -2.618 1.00 0.00 H new ATOM 0 HA TRP A 33 1.650 -7.108 -0.240 1.00 0.00 H new ATOM 0 HB2 TRP A 33 -0.739 -7.692 -0.871 1.00 0.00 H new ATOM 0 HB3 TRP A 33 -0.303 -9.357 -0.538 1.00 0.00 H new ATOM 0 HD1 TRP A 33 1.540 -8.534 2.121 1.00 0.00 H new ATOM 0 HE1 TRP A 33 0.242 -8.121 4.308 1.00 0.00 H new ATOM 0 HE3 TRP A 33 -2.974 -7.305 0.093 1.00 0.00 H new ATOM 0 HZ2 TRP A 33 -2.462 -7.374 5.047 1.00 0.00 H new ATOM 0 HZ3 TRP A 33 -4.881 -6.675 1.552 1.00 0.00 H new ATOM 0 HH2 TRP A 33 -4.641 -6.750 4.024 1.00 0.00 H new ATOM 491 N LYS A 34 3.537 -8.824 -0.013 1.00 0.00 N ATOM 492 CA LYS A 34 4.488 -9.792 0.489 1.00 0.00 C ATOM 493 C LYS A 34 4.521 -9.672 1.996 1.00 0.00 C ATOM 494 O LYS A 34 4.049 -8.677 2.543 1.00 0.00 O ATOM 495 CB LYS A 34 5.802 -9.604 -0.272 1.00 0.00 C ATOM 496 CG LYS A 34 6.804 -10.744 -0.056 1.00 0.00 C ATOM 497 CD LYS A 34 7.558 -11.058 -1.351 1.00 0.00 C ATOM 498 CE LYS A 34 8.823 -10.228 -1.477 1.00 0.00 C ATOM 499 NZ LYS A 34 9.455 -10.375 -2.802 1.00 0.00 N ATOM 0 H LYS A 34 3.898 -7.871 -0.061 1.00 0.00 H new ATOM 0 HA LYS A 34 4.221 -10.833 0.307 1.00 0.00 H new ATOM 0 HB2 LYS A 34 5.586 -9.518 -1.337 1.00 0.00 H new ATOM 0 HB3 LYS A 34 6.260 -8.665 0.038 1.00 0.00 H new ATOM 0 HG2 LYS A 34 7.513 -10.468 0.725 1.00 0.00 H new ATOM 0 HG3 LYS A 34 6.279 -11.635 0.290 1.00 0.00 H new ATOM 0 HD2 LYS A 34 7.813 -12.117 -1.376 1.00 0.00 H new ATOM 0 HD3 LYS A 34 6.910 -10.866 -2.206 1.00 0.00 H new ATOM 0 HE2 LYS A 34 8.586 -9.178 -1.304 1.00 0.00 H new ATOM 0 HE3 LYS A 34 9.530 -10.527 -0.703 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 10.315 -9.791 -2.843 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 9.706 -11.372 -2.958 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 8.791 -10.065 -3.540 1.00 0.00 H new ATOM 513 N GLN A 35 4.978 -10.711 2.673 1.00 0.00 N ATOM 514 CA GLN A 35 4.954 -10.767 4.118 1.00 0.00 C ATOM 515 C GLN A 35 6.356 -10.528 4.660 1.00 0.00 C ATOM 516 O GLN A 35 7.324 -10.666 3.911 1.00 0.00 O ATOM 517 CB GLN A 35 4.418 -12.114 4.588 1.00 0.00 C ATOM 518 CG GLN A 35 2.930 -12.270 4.253 1.00 0.00 C ATOM 519 CD GLN A 35 2.415 -13.583 4.804 1.00 0.00 C ATOM 520 OE1 GLN A 35 1.925 -14.429 4.067 1.00 0.00 O ATOM 521 NE2 GLN A 35 2.564 -13.812 6.093 1.00 0.00 N ATOM 0 H GLN A 35 5.376 -11.540 2.232 1.00 0.00 H new ATOM 0 HA GLN A 35 4.291 -9.989 4.496 1.00 0.00 H new ATOM 0 HB2 GLN A 35 4.985 -12.917 4.118 1.00 0.00 H new ATOM 0 HB3 GLN A 35 4.563 -12.210 5.664 1.00 0.00 H new ATOM 0 HG2 GLN A 35 2.364 -11.440 4.676 1.00 0.00 H new ATOM 0 HG3 GLN A 35 2.786 -12.237 3.173 1.00 0.00 H new ATOM 0 HE21 GLN A 35 2.974 -13.097 6.694 1.00 0.00 H new ATOM 0 HE22 GLN A 35 2.269 -14.704 6.490 1.00 0.00 H new ATOM 530 N ALA A 36 6.465 -10.306 5.970 1.00 0.00 N ATOM 531 CA ALA A 36 7.709 -10.136 6.716 1.00 0.00 C ATOM 532 C ALA A 36 8.762 -11.239 6.551 1.00 0.00 C ATOM 533 O ALA A 36 9.894 -11.052 7.005 1.00 0.00 O ATOM 534 CB ALA A 36 7.339 -10.005 8.193 1.00 0.00 C ATOM 0 H ALA A 36 5.643 -10.236 6.570 1.00 0.00 H new ATOM 0 HA ALA A 36 8.191 -9.249 6.304 1.00 0.00 H new ATOM 0 HB1 ALA A 36 8.245 -9.876 8.785 1.00 0.00 H new ATOM 0 HB2 ALA A 36 6.690 -9.140 8.330 1.00 0.00 H new ATOM 0 HB3 ALA A 36 6.818 -10.905 8.519 1.00 0.00 H new ATOM 540 N ASP A 37 8.429 -12.385 5.954 1.00 0.00 N ATOM 541 CA ASP A 37 9.370 -13.478 5.693 1.00 0.00 C ATOM 542 C ASP A 37 9.588 -13.724 4.204 1.00 0.00 C ATOM 543 O ASP A 37 10.421 -14.556 3.841 1.00 0.00 O ATOM 544 CB ASP A 37 8.913 -14.758 6.402 1.00 0.00 C ATOM 545 CG ASP A 37 9.714 -14.950 7.679 1.00 0.00 C ATOM 546 OD1 ASP A 37 9.369 -14.304 8.691 1.00 0.00 O ATOM 547 OD2 ASP A 37 10.709 -15.715 7.688 1.00 0.00 O ATOM 0 H ASP A 37 7.482 -12.584 5.632 1.00 0.00 H new ATOM 0 HA ASP A 37 10.335 -13.175 6.100 1.00 0.00 H new ATOM 0 HB2 ASP A 37 7.850 -14.697 6.634 1.00 0.00 H new ATOM 0 HB3 ASP A 37 9.047 -15.617 5.745 1.00 0.00 H new ATOM 552 N GLY A 38 8.880 -13.001 3.334 1.00 0.00 N ATOM 553 CA GLY A 38 9.006 -13.130 1.895 1.00 0.00 C ATOM 554 C GLY A 38 7.863 -13.930 1.287 1.00 0.00 C ATOM 555 O GLY A 38 7.938 -14.249 0.100 1.00 0.00 O ATOM 0 H GLY A 38 8.195 -12.302 3.621 1.00 0.00 H new ATOM 0 HA2 GLY A 38 9.033 -12.138 1.444 1.00 0.00 H new ATOM 0 HA3 GLY A 38 9.953 -13.614 1.657 1.00 0.00 H new ATOM 559 N THR A 39 6.818 -14.277 2.046 1.00 0.00 N ATOM 560 CA THR A 39 5.633 -14.896 1.483 1.00 0.00 C ATOM 561 C THR A 39 4.838 -13.845 0.723 1.00 0.00 C ATOM 562 O THR A 39 4.153 -13.024 1.322 1.00 0.00 O ATOM 563 CB THR A 39 4.891 -15.671 2.576 1.00 0.00 C ATOM 564 OG1 THR A 39 5.728 -16.779 2.849 1.00 0.00 O ATOM 565 CG2 THR A 39 3.529 -16.191 2.134 1.00 0.00 C ATOM 0 H THR A 39 6.778 -14.135 3.055 1.00 0.00 H new ATOM 0 HA THR A 39 5.869 -15.654 0.736 1.00 0.00 H new ATOM 0 HB THR A 39 4.700 -15.020 3.429 1.00 0.00 H new ATOM 0 HG1 THR A 39 5.321 -17.332 3.548 1.00 0.00 H new ATOM 0 HG21 THR A 39 3.060 -16.730 2.958 1.00 0.00 H new ATOM 0 HG22 THR A 39 2.897 -15.353 1.842 1.00 0.00 H new ATOM 0 HG23 THR A 39 3.654 -16.863 1.285 1.00 0.00 H new ATOM 573 N ALA A 40 4.984 -13.809 -0.601 1.00 0.00 N ATOM 574 CA ALA A 40 4.050 -13.113 -1.460 1.00 0.00 C ATOM 575 C ALA A 40 2.699 -13.806 -1.323 1.00 0.00 C ATOM 576 O ALA A 40 2.524 -14.966 -1.707 1.00 0.00 O ATOM 577 CB ALA A 40 4.571 -13.020 -2.889 1.00 0.00 C ATOM 0 H ALA A 40 5.751 -14.261 -1.098 1.00 0.00 H new ATOM 0 HA ALA A 40 3.930 -12.073 -1.157 1.00 0.00 H new ATOM 0 HB1 ALA A 40 3.845 -12.492 -3.507 1.00 0.00 H new ATOM 0 HB2 ALA A 40 5.517 -12.478 -2.897 1.00 0.00 H new ATOM 0 HB3 ALA A 40 4.724 -14.023 -3.287 1.00 0.00 H new ATOM 583 N ARG A 41 1.759 -13.100 -0.705 1.00 0.00 N ATOM 584 CA ARG A 41 0.363 -13.476 -0.671 1.00 0.00 C ATOM 585 C ARG A 41 -0.199 -13.419 -2.086 1.00 0.00 C ATOM 586 O ARG A 41 0.350 -12.766 -2.987 1.00 0.00 O ATOM 587 CB ARG A 41 -0.417 -12.509 0.221 1.00 0.00 C ATOM 588 CG ARG A 41 -0.219 -12.674 1.735 1.00 0.00 C ATOM 589 CD ARG A 41 -0.520 -11.342 2.443 1.00 0.00 C ATOM 590 NE ARG A 41 -1.243 -11.465 3.722 1.00 0.00 N ATOM 591 CZ ARG A 41 -2.569 -11.467 3.920 1.00 0.00 C ATOM 592 NH1 ARG A 41 -3.427 -11.381 2.907 1.00 0.00 N ATOM 593 NH2 ARG A 41 -3.035 -11.571 5.158 1.00 0.00 N ATOM 0 H ARG A 41 1.957 -12.233 -0.205 1.00 0.00 H new ATOM 0 HA ARG A 41 0.269 -14.485 -0.270 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -0.139 -11.491 -0.052 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -1.479 -12.620 0.000 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -0.876 -13.456 2.115 1.00 0.00 H new ATOM 0 HG3 ARG A 41 0.804 -12.987 1.946 1.00 0.00 H new ATOM 0 HD2 ARG A 41 0.421 -10.823 2.624 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -1.106 -10.715 1.771 1.00 0.00 H new ATOM 0 HE ARG A 41 -0.665 -11.560 4.557 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -3.081 -11.311 1.950 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -4.431 -11.385 3.087 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -2.387 -11.648 5.942 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -4.041 -11.574 5.326 1.00 0.00 H new ATOM 607 N ALA A 42 -1.357 -14.043 -2.249 1.00 0.00 N ATOM 608 CA ALA A 42 -2.197 -13.850 -3.426 1.00 0.00 C ATOM 609 C ALA A 42 -3.087 -12.630 -3.208 1.00 0.00 C ATOM 610 O ALA A 42 -3.528 -12.381 -2.080 1.00 0.00 O ATOM 611 CB ALA A 42 -3.014 -15.112 -3.705 1.00 0.00 C ATOM 0 H ALA A 42 -1.742 -14.698 -1.569 1.00 0.00 H new ATOM 0 HA ALA A 42 -1.577 -13.669 -4.304 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -3.637 -14.955 -4.586 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -2.340 -15.950 -3.882 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -3.649 -15.332 -2.847 1.00 0.00 H new ATOM 617 N VAL A 43 -3.329 -11.883 -4.286 1.00 0.00 N ATOM 618 CA VAL A 43 -4.097 -10.642 -4.342 1.00 0.00 C ATOM 619 C VAL A 43 -4.837 -10.553 -5.688 1.00 0.00 C ATOM 620 O VAL A 43 -4.464 -11.271 -6.625 1.00 0.00 O ATOM 621 CB VAL A 43 -3.152 -9.433 -4.156 1.00 0.00 C ATOM 622 CG1 VAL A 43 -2.481 -9.457 -2.777 1.00 0.00 C ATOM 623 CG2 VAL A 43 -2.063 -9.277 -5.238 1.00 0.00 C ATOM 0 H VAL A 43 -2.969 -12.148 -5.203 1.00 0.00 H new ATOM 0 HA VAL A 43 -4.833 -10.631 -3.538 1.00 0.00 H new ATOM 0 HB VAL A 43 -3.811 -8.570 -4.252 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -1.823 -8.594 -2.678 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -3.245 -9.422 -2.000 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -1.898 -10.372 -2.672 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -1.453 -8.401 -5.017 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -1.431 -10.165 -5.249 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -2.534 -9.155 -6.213 1.00 0.00 H new ATOM 633 N PRO A 44 -5.858 -9.700 -5.857 1.00 0.00 N ATOM 634 CA PRO A 44 -6.438 -9.454 -7.166 1.00 0.00 C ATOM 635 C PRO A 44 -5.486 -8.584 -8.003 1.00 0.00 C ATOM 636 O PRO A 44 -5.209 -7.437 -7.634 1.00 0.00 O ATOM 637 CB PRO A 44 -7.793 -8.800 -6.910 1.00 0.00 C ATOM 638 CG PRO A 44 -7.597 -8.095 -5.571 1.00 0.00 C ATOM 639 CD PRO A 44 -6.556 -8.943 -4.833 1.00 0.00 C ATOM 0 HA PRO A 44 -6.582 -10.366 -7.746 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -8.055 -8.096 -7.700 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -8.593 -9.539 -6.862 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -7.248 -7.072 -5.710 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -8.531 -8.040 -5.012 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -5.864 -8.313 -4.274 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -7.034 -9.608 -4.113 1.00 0.00 H new ATOM 647 N SER A 45 -4.960 -9.130 -9.106 1.00 0.00 N ATOM 648 CA SER A 45 -4.305 -8.345 -10.144 1.00 0.00 C ATOM 649 C SER A 45 -5.356 -7.575 -10.958 1.00 0.00 C ATOM 650 O SER A 45 -6.552 -7.830 -10.811 1.00 0.00 O ATOM 651 CB SER A 45 -3.510 -9.307 -11.035 1.00 0.00 C ATOM 652 OG SER A 45 -2.148 -9.368 -10.647 1.00 0.00 O ATOM 0 H SER A 45 -4.980 -10.131 -9.299 1.00 0.00 H new ATOM 0 HA SER A 45 -3.627 -7.613 -9.705 1.00 0.00 H new ATOM 0 HB2 SER A 45 -3.950 -10.303 -10.981 1.00 0.00 H new ATOM 0 HB3 SER A 45 -3.580 -8.984 -12.074 1.00 0.00 H new ATOM 0 HG SER A 45 -1.669 -9.991 -11.233 1.00 0.00 H new ATOM 658 N ALA A 46 -4.935 -6.684 -11.863 1.00 0.00 N ATOM 659 CA ALA A 46 -5.853 -6.029 -12.794 1.00 0.00 C ATOM 660 C ALA A 46 -6.624 -7.080 -13.592 1.00 0.00 C ATOM 661 O ALA A 46 -7.849 -7.003 -13.694 1.00 0.00 O ATOM 662 CB ALA A 46 -5.103 -5.041 -13.693 1.00 0.00 C ATOM 0 H ALA A 46 -3.961 -6.401 -11.968 1.00 0.00 H new ATOM 0 HA ALA A 46 -6.582 -5.445 -12.232 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -5.806 -4.566 -14.377 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -4.625 -4.279 -13.077 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -4.344 -5.574 -14.265 1.00 0.00 H new ATOM 668 N ASP A 47 -5.934 -8.113 -14.088 1.00 0.00 N ATOM 669 CA ASP A 47 -6.574 -9.167 -14.873 1.00 0.00 C ATOM 670 C ASP A 47 -7.582 -10.003 -14.073 1.00 0.00 C ATOM 671 O ASP A 47 -8.378 -10.724 -14.660 1.00 0.00 O ATOM 672 CB ASP A 47 -5.540 -10.083 -15.563 1.00 0.00 C ATOM 673 CG ASP A 47 -5.879 -10.318 -17.040 1.00 0.00 C ATOM 674 OD1 ASP A 47 -7.065 -10.226 -17.424 1.00 0.00 O ATOM 675 OD2 ASP A 47 -4.958 -10.545 -17.864 1.00 0.00 O ATOM 0 H ASP A 47 -4.930 -8.239 -13.958 1.00 0.00 H new ATOM 0 HA ASP A 47 -7.141 -8.643 -15.642 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -4.549 -9.635 -15.485 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -5.499 -11.040 -15.043 1.00 0.00 H new ATOM 680 N GLN A 48 -7.613 -9.899 -12.739 1.00 0.00 N ATOM 681 CA GLN A 48 -8.633 -10.558 -11.918 1.00 0.00 C ATOM 682 C GLN A 48 -9.986 -9.843 -11.953 1.00 0.00 C ATOM 683 O GLN A 48 -10.947 -10.319 -11.342 1.00 0.00 O ATOM 684 CB GLN A 48 -8.172 -10.648 -10.466 1.00 0.00 C ATOM 685 CG GLN A 48 -7.053 -11.679 -10.271 1.00 0.00 C ATOM 686 CD GLN A 48 -7.569 -13.109 -10.276 1.00 0.00 C ATOM 687 OE1 GLN A 48 -8.186 -13.565 -9.313 1.00 0.00 O ATOM 688 NE2 GLN A 48 -7.281 -13.842 -11.334 1.00 0.00 N ATOM 0 H GLN A 48 -6.935 -9.358 -12.202 1.00 0.00 H new ATOM 0 HA GLN A 48 -8.765 -11.552 -12.345 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -7.822 -9.669 -10.137 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -9.020 -10.912 -9.834 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -6.313 -11.561 -11.063 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -6.544 -11.483 -9.327 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -6.768 -13.432 -12.114 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -7.571 -14.819 -11.372 1.00 0.00 H new ATOM 697 N GLY A 49 -10.066 -8.693 -12.607 1.00 0.00 N ATOM 698 CA GLY A 49 -11.316 -8.053 -12.941 1.00 0.00 C ATOM 699 C GLY A 49 -11.621 -6.874 -12.038 1.00 0.00 C ATOM 700 O GLY A 49 -12.037 -5.816 -12.517 1.00 0.00 O ATOM 0 H GLY A 49 -9.246 -8.175 -12.923 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -11.283 -7.715 -13.977 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -12.124 -8.781 -12.869 1.00 0.00 H new ATOM 704 N ALA A 50 -11.384 -7.050 -10.741 1.00 0.00 N ATOM 705 CA ALA A 50 -11.557 -6.040 -9.712 1.00 0.00 C ATOM 706 C ALA A 50 -10.283 -5.995 -8.847 1.00 0.00 C ATOM 707 O ALA A 50 -10.237 -6.660 -7.809 1.00 0.00 O ATOM 708 CB ALA A 50 -12.847 -6.321 -8.933 1.00 0.00 C ATOM 0 H ALA A 50 -11.052 -7.939 -10.367 1.00 0.00 H new ATOM 0 HA ALA A 50 -11.680 -5.043 -10.136 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -12.978 -5.563 -8.160 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -13.697 -6.294 -9.615 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -12.785 -7.305 -8.469 1.00 0.00 H new ATOM 714 N PRO A 51 -9.231 -5.274 -9.288 1.00 0.00 N ATOM 715 CA PRO A 51 -8.016 -5.025 -8.508 1.00 0.00 C ATOM 716 C PRO A 51 -8.273 -4.030 -7.374 1.00 0.00 C ATOM 717 O PRO A 51 -9.307 -3.359 -7.354 1.00 0.00 O ATOM 718 CB PRO A 51 -7.018 -4.425 -9.504 1.00 0.00 C ATOM 719 CG PRO A 51 -7.930 -3.676 -10.473 1.00 0.00 C ATOM 720 CD PRO A 51 -9.136 -4.607 -10.581 1.00 0.00 C ATOM 0 HA PRO A 51 -7.652 -5.942 -8.044 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -6.309 -3.757 -9.015 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -6.435 -5.195 -10.008 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -8.209 -2.694 -10.091 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -7.452 -3.518 -11.440 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -10.045 -4.047 -10.802 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -9.003 -5.329 -11.386 1.00 0.00 H new ATOM 728 N ILE A 52 -7.289 -3.853 -6.489 1.00 0.00 N ATOM 729 CA ILE A 52 -7.343 -2.890 -5.396 1.00 0.00 C ATOM 730 C ILE A 52 -6.696 -1.575 -5.838 1.00 0.00 C ATOM 731 O ILE A 52 -5.472 -1.484 -5.952 1.00 0.00 O ATOM 732 CB ILE A 52 -6.726 -3.504 -4.119 1.00 0.00 C ATOM 733 CG1 ILE A 52 -7.658 -4.648 -3.658 1.00 0.00 C ATOM 734 CG2 ILE A 52 -6.562 -2.452 -3.003 1.00 0.00 C ATOM 735 CD1 ILE A 52 -7.383 -5.217 -2.266 1.00 0.00 C ATOM 0 H ILE A 52 -6.420 -4.386 -6.516 1.00 0.00 H new ATOM 0 HA ILE A 52 -8.375 -2.651 -5.141 1.00 0.00 H new ATOM 0 HB ILE A 52 -5.727 -3.882 -4.337 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -8.686 -4.285 -3.684 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -7.588 -5.461 -4.381 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -6.125 -2.922 -2.122 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -5.907 -1.652 -3.350 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -7.537 -2.037 -2.748 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -8.097 -6.012 -2.050 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -6.371 -5.619 -2.231 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -7.485 -4.426 -1.523 1.00 0.00 H new ATOM 747 N THR A 53 -7.507 -0.548 -6.086 1.00 0.00 N ATOM 748 CA THR A 53 -7.031 0.824 -6.234 1.00 0.00 C ATOM 749 C THR A 53 -6.836 1.434 -4.839 1.00 0.00 C ATOM 750 O THR A 53 -7.398 0.959 -3.848 1.00 0.00 O ATOM 751 CB THR A 53 -8.037 1.651 -7.059 1.00 0.00 C ATOM 752 OG1 THR A 53 -9.371 1.281 -6.766 1.00 0.00 O ATOM 753 CG2 THR A 53 -7.812 1.503 -8.565 1.00 0.00 C ATOM 0 H THR A 53 -8.517 -0.646 -6.190 1.00 0.00 H new ATOM 0 HA THR A 53 -6.079 0.831 -6.765 1.00 0.00 H new ATOM 0 HB THR A 53 -7.871 2.691 -6.778 1.00 0.00 H new ATOM 0 HG1 THR A 53 -9.986 1.823 -7.303 1.00 0.00 H new ATOM 0 HG21 THR A 53 -8.545 2.104 -9.103 1.00 0.00 H new ATOM 0 HG22 THR A 53 -6.808 1.843 -8.818 1.00 0.00 H new ATOM 0 HG23 THR A 53 -7.923 0.456 -8.848 1.00 0.00 H new ATOM 761 N LEU A 54 -6.080 2.529 -4.755 1.00 0.00 N ATOM 762 CA LEU A 54 -5.948 3.341 -3.550 1.00 0.00 C ATOM 763 C LEU A 54 -6.188 4.795 -3.970 1.00 0.00 C ATOM 764 O LEU A 54 -6.239 5.107 -5.170 1.00 0.00 O ATOM 765 CB LEU A 54 -4.567 3.011 -2.947 1.00 0.00 C ATOM 766 CG LEU A 54 -4.158 3.520 -1.550 1.00 0.00 C ATOM 767 CD1 LEU A 54 -3.852 4.956 -1.254 1.00 0.00 C ATOM 768 CD2 LEU A 54 -5.142 3.066 -0.473 1.00 0.00 C ATOM 0 H LEU A 54 -5.532 2.881 -5.540 1.00 0.00 H new ATOM 0 HA LEU A 54 -6.671 3.142 -2.759 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -4.481 1.925 -2.927 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -3.818 3.377 -3.650 1.00 0.00 H new ATOM 0 HG LEU A 54 -3.172 3.056 -1.545 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -3.590 5.063 -0.201 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -3.016 5.285 -1.871 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -4.727 5.567 -1.473 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -4.820 3.444 0.497 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -6.135 3.452 -0.701 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -5.174 1.977 -0.445 1.00 0.00 H new ATOM 780 N THR A 55 -6.449 5.694 -3.028 1.00 0.00 N ATOM 781 CA THR A 55 -6.653 7.110 -3.297 1.00 0.00 C ATOM 782 C THR A 55 -6.309 7.929 -2.037 1.00 0.00 C ATOM 783 O THR A 55 -6.761 7.561 -0.949 1.00 0.00 O ATOM 784 CB THR A 55 -8.085 7.355 -3.812 1.00 0.00 C ATOM 785 OG1 THR A 55 -8.697 6.226 -4.419 1.00 0.00 O ATOM 786 CG2 THR A 55 -8.009 8.434 -4.883 1.00 0.00 C ATOM 0 H THR A 55 -6.526 5.454 -2.040 1.00 0.00 H new ATOM 0 HA THR A 55 -5.983 7.445 -4.089 1.00 0.00 H new ATOM 0 HB THR A 55 -8.684 7.623 -2.941 1.00 0.00 H new ATOM 0 HG1 THR A 55 -9.600 6.464 -4.716 1.00 0.00 H new ATOM 0 HG21 THR A 55 -9.008 8.633 -5.271 1.00 0.00 H new ATOM 0 HG22 THR A 55 -7.599 9.347 -4.451 1.00 0.00 H new ATOM 0 HG23 THR A 55 -7.366 8.096 -5.695 1.00 0.00 H new ATOM 794 N LEU A 56 -5.472 8.976 -2.133 1.00 0.00 N ATOM 795 CA LEU A 56 -5.059 9.839 -1.015 1.00 0.00 C ATOM 796 C LEU A 56 -5.121 11.310 -1.423 1.00 0.00 C ATOM 797 O LEU A 56 -4.106 12.006 -1.448 1.00 0.00 O ATOM 798 CB LEU A 56 -3.631 9.504 -0.541 1.00 0.00 C ATOM 799 CG LEU A 56 -3.463 8.087 -0.011 1.00 0.00 C ATOM 800 CD1 LEU A 56 -1.979 7.737 0.054 1.00 0.00 C ATOM 801 CD2 LEU A 56 -4.145 7.887 1.344 1.00 0.00 C ATOM 0 H LEU A 56 -5.051 9.253 -3.020 1.00 0.00 H new ATOM 0 HA LEU A 56 -5.751 9.657 -0.193 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -2.941 9.653 -1.371 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -3.346 10.208 0.241 1.00 0.00 H new ATOM 0 HG LEU A 56 -3.959 7.406 -0.703 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -1.861 6.722 0.434 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -1.545 7.804 -0.944 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -1.469 8.435 0.719 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -3.996 6.860 1.678 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -3.713 8.572 2.073 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -5.212 8.086 1.247 1.00 0.00 H new ATOM 813 N SER A 57 -6.320 11.811 -1.678 1.00 0.00 N ATOM 814 CA SER A 57 -6.556 13.173 -2.134 1.00 0.00 C ATOM 815 C SER A 57 -7.534 13.866 -1.179 1.00 0.00 C ATOM 816 O SER A 57 -7.873 13.342 -0.111 1.00 0.00 O ATOM 817 CB SER A 57 -7.024 13.087 -3.593 1.00 0.00 C ATOM 818 OG SER A 57 -7.159 14.343 -4.230 1.00 0.00 O ATOM 0 H SER A 57 -7.177 11.269 -1.571 1.00 0.00 H new ATOM 0 HA SER A 57 -5.659 13.793 -2.118 1.00 0.00 H new ATOM 0 HB2 SER A 57 -6.315 12.480 -4.156 1.00 0.00 H new ATOM 0 HB3 SER A 57 -7.983 12.570 -3.626 1.00 0.00 H new ATOM 0 HG SER A 57 -7.458 14.211 -5.154 1.00 0.00 H new ATOM 824 N THR A 58 -7.969 15.073 -1.537 1.00 0.00 N ATOM 825 CA THR A 58 -8.880 15.871 -0.740 1.00 0.00 C ATOM 826 C THR A 58 -10.278 15.875 -1.373 1.00 0.00 C ATOM 827 O THR A 58 -10.863 16.935 -1.595 1.00 0.00 O ATOM 828 CB THR A 58 -8.263 17.254 -0.415 1.00 0.00 C ATOM 829 OG1 THR A 58 -7.792 17.934 -1.562 1.00 0.00 O ATOM 830 CG2 THR A 58 -7.066 17.137 0.533 1.00 0.00 C ATOM 0 H THR A 58 -7.689 15.526 -2.407 1.00 0.00 H new ATOM 0 HA THR A 58 -9.031 15.421 0.241 1.00 0.00 H new ATOM 0 HB THR A 58 -9.080 17.811 0.043 1.00 0.00 H new ATOM 0 HG1 THR A 58 -7.416 18.799 -1.298 1.00 0.00 H new ATOM 0 HG21 THR A 58 -6.663 18.130 0.735 1.00 0.00 H new ATOM 0 HG22 THR A 58 -7.386 16.678 1.468 1.00 0.00 H new ATOM 0 HG23 THR A 58 -6.295 16.520 0.071 1.00 0.00 H new ATOM 838 N SER A 59 -10.851 14.697 -1.660 1.00 0.00 N ATOM 839 CA SER A 59 -12.144 14.605 -2.343 1.00 0.00 C ATOM 840 C SER A 59 -13.309 15.132 -1.486 1.00 0.00 C ATOM 841 O SER A 59 -14.321 15.524 -2.063 1.00 0.00 O ATOM 842 CB SER A 59 -12.398 13.167 -2.816 1.00 0.00 C ATOM 843 OG SER A 59 -13.431 13.079 -3.788 1.00 0.00 O ATOM 0 H SER A 59 -10.436 13.795 -1.428 1.00 0.00 H new ATOM 0 HA SER A 59 -12.095 15.255 -3.217 1.00 0.00 H new ATOM 0 HB2 SER A 59 -11.477 12.759 -3.234 1.00 0.00 H new ATOM 0 HB3 SER A 59 -12.660 12.548 -1.958 1.00 0.00 H new ATOM 0 HG SER A 59 -13.550 12.144 -4.055 1.00 0.00 H new ATOM 849 N THR A 60 -13.192 15.204 -0.154 1.00 0.00 N ATOM 850 CA THR A 60 -14.158 15.885 0.724 1.00 0.00 C ATOM 851 C THR A 60 -13.694 17.317 1.051 1.00 0.00 C ATOM 852 O THR A 60 -14.278 18.031 1.871 1.00 0.00 O ATOM 853 CB THR A 60 -14.322 15.064 2.014 1.00 0.00 C ATOM 854 OG1 THR A 60 -13.086 14.956 2.693 1.00 0.00 O ATOM 855 CG2 THR A 60 -14.823 13.644 1.727 1.00 0.00 C ATOM 0 H THR A 60 -12.413 14.785 0.354 1.00 0.00 H new ATOM 0 HA THR A 60 -15.117 15.960 0.211 1.00 0.00 H new ATOM 0 HB THR A 60 -15.055 15.590 2.626 1.00 0.00 H new ATOM 0 HG1 THR A 60 -13.208 14.432 3.512 1.00 0.00 H new ATOM 0 HG21 THR A 60 -14.925 13.098 2.665 1.00 0.00 H new ATOM 0 HG22 THR A 60 -15.791 13.694 1.228 1.00 0.00 H new ATOM 0 HG23 THR A 60 -14.109 13.130 1.083 1.00 0.00 H new ATOM 863 N GLY A 61 -12.557 17.722 0.490 1.00 0.00 N ATOM 864 CA GLY A 61 -11.804 18.907 0.845 1.00 0.00 C ATOM 865 C GLY A 61 -11.164 18.816 2.228 1.00 0.00 C ATOM 866 O GLY A 61 -10.466 19.758 2.605 1.00 0.00 O ATOM 0 H GLY A 61 -12.118 17.197 -0.266 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -11.025 19.072 0.101 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -12.465 19.773 0.813 1.00 0.00 H new ATOM 870 N GLN A 62 -11.350 17.726 2.977 1.00 0.00 N ATOM 871 CA GLN A 62 -10.398 17.262 3.967 1.00 0.00 C ATOM 872 C GLN A 62 -9.581 16.132 3.349 1.00 0.00 C ATOM 873 O GLN A 62 -9.864 15.688 2.239 1.00 0.00 O ATOM 874 CB GLN A 62 -11.142 16.790 5.209 1.00 0.00 C ATOM 875 CG GLN A 62 -11.842 17.969 5.885 1.00 0.00 C ATOM 876 CD GLN A 62 -13.322 17.701 6.056 1.00 0.00 C ATOM 877 OE1 GLN A 62 -13.782 17.409 7.159 1.00 0.00 O ATOM 878 NE2 GLN A 62 -14.077 17.792 4.981 1.00 0.00 N ATOM 0 H GLN A 62 -12.181 17.139 2.905 1.00 0.00 H new ATOM 0 HA GLN A 62 -9.727 18.067 4.267 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -11.875 16.030 4.936 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -10.444 16.324 5.905 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -11.388 18.155 6.859 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -11.699 18.871 5.289 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -13.659 18.037 4.083 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -15.080 17.618 5.046 1.00 0.00 H new ATOM 887 N ARG A 63 -8.548 15.682 4.054 1.00 0.00 N ATOM 888 CA ARG A 63 -7.514 14.788 3.568 1.00 0.00 C ATOM 889 C ARG A 63 -8.023 13.359 3.772 1.00 0.00 C ATOM 890 O ARG A 63 -7.800 12.775 4.844 1.00 0.00 O ATOM 891 CB ARG A 63 -6.178 15.189 4.251 1.00 0.00 C ATOM 892 CG ARG A 63 -6.294 15.505 5.774 1.00 0.00 C ATOM 893 CD ARG A 63 -5.031 15.652 6.654 1.00 0.00 C ATOM 894 NE ARG A 63 -4.144 16.772 6.308 1.00 0.00 N ATOM 895 CZ ARG A 63 -3.202 17.297 7.102 1.00 0.00 C ATOM 896 NH1 ARG A 63 -3.016 16.845 8.340 1.00 0.00 N ATOM 897 NH2 ARG A 63 -2.436 18.286 6.660 1.00 0.00 N ATOM 0 H ARG A 63 -8.406 15.947 5.029 1.00 0.00 H new ATOM 0 HA ARG A 63 -7.297 14.857 2.502 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -5.459 14.381 4.115 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -5.774 16.064 3.742 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -6.857 16.434 5.866 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -6.903 14.718 6.218 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -5.344 15.767 7.692 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -4.458 14.726 6.594 1.00 0.00 H new ATOM 0 HE ARG A 63 -4.256 17.185 5.382 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -3.596 16.086 8.698 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -2.293 17.257 8.930 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -2.564 18.647 5.715 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -1.719 18.685 7.265 1.00 0.00 H new ATOM 911 N HIS A 64 -8.786 12.838 2.806 1.00 0.00 N ATOM 912 CA HIS A 64 -9.654 11.678 2.952 1.00 0.00 C ATOM 913 C HIS A 64 -9.255 10.561 1.992 1.00 0.00 C ATOM 914 O HIS A 64 -9.493 10.622 0.786 1.00 0.00 O ATOM 915 CB HIS A 64 -11.118 12.090 2.774 1.00 0.00 C ATOM 916 CG HIS A 64 -12.085 11.254 3.557 1.00 0.00 C ATOM 917 ND1 HIS A 64 -13.061 10.428 3.052 1.00 0.00 N ATOM 918 CD2 HIS A 64 -12.203 11.273 4.915 1.00 0.00 C ATOM 919 CE1 HIS A 64 -13.758 9.953 4.099 1.00 0.00 C ATOM 920 NE2 HIS A 64 -13.270 10.434 5.259 1.00 0.00 N ATOM 0 H HIS A 64 -8.813 13.233 1.866 1.00 0.00 H new ATOM 0 HA HIS A 64 -9.537 11.280 3.960 1.00 0.00 H new ATOM 0 HB2 HIS A 64 -11.230 13.132 3.072 1.00 0.00 H new ATOM 0 HB3 HIS A 64 -11.376 12.031 1.717 1.00 0.00 H new ATOM 0 HD2 HIS A 64 -11.585 11.834 5.601 1.00 0.00 H new ATOM 0 HE1 HIS A 64 -14.596 9.277 4.021 1.00 0.00 H new ATOM 0 HE2 HIS A 64 -13.609 10.228 6.199 1.00 0.00 H new ATOM 928 N ALA A 65 -8.654 9.537 2.582 1.00 0.00 N ATOM 929 CA ALA A 65 -8.293 8.270 1.974 1.00 0.00 C ATOM 930 C ALA A 65 -9.550 7.613 1.424 1.00 0.00 C ATOM 931 O ALA A 65 -10.611 7.637 2.051 1.00 0.00 O ATOM 932 CB ALA A 65 -7.645 7.344 3.018 1.00 0.00 C ATOM 0 H ALA A 65 -8.389 9.576 3.566 1.00 0.00 H new ATOM 0 HA ALA A 65 -7.578 8.445 1.170 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -7.379 6.397 2.549 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -6.747 7.817 3.416 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -8.349 7.162 3.830 1.00 0.00 H new ATOM 938 N SER A 66 -9.389 6.949 0.292 1.00 0.00 N ATOM 939 CA SER A 66 -10.395 6.132 -0.354 1.00 0.00 C ATOM 940 C SER A 66 -9.686 5.023 -1.139 1.00 0.00 C ATOM 941 O SER A 66 -8.455 4.938 -1.166 1.00 0.00 O ATOM 942 CB SER A 66 -11.312 7.029 -1.214 1.00 0.00 C ATOM 943 OG SER A 66 -10.638 8.167 -1.722 1.00 0.00 O ATOM 0 H SER A 66 -8.510 6.968 -0.224 1.00 0.00 H new ATOM 0 HA SER A 66 -11.049 5.643 0.368 1.00 0.00 H new ATOM 0 HB2 SER A 66 -11.710 6.446 -2.045 1.00 0.00 H new ATOM 0 HB3 SER A 66 -12.163 7.352 -0.615 1.00 0.00 H new ATOM 0 HG SER A 66 -11.259 8.702 -2.260 1.00 0.00 H new ATOM 949 N GLY A 67 -10.456 4.133 -1.744 1.00 0.00 N ATOM 950 CA GLY A 67 -9.987 3.112 -2.666 1.00 0.00 C ATOM 951 C GLY A 67 -11.101 2.100 -2.880 1.00 0.00 C ATOM 952 O GLY A 67 -12.041 2.041 -2.080 1.00 0.00 O ATOM 0 H GLY A 67 -11.465 4.101 -1.600 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -9.699 3.564 -3.615 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -9.101 2.620 -2.266 1.00 0.00 H new ATOM 956 N PHE A 68 -10.995 1.289 -3.931 1.00 0.00 N ATOM 957 CA PHE A 68 -11.750 0.056 -4.059 1.00 0.00 C ATOM 958 C PHE A 68 -10.882 -1.017 -3.407 1.00 0.00 C ATOM 959 O PHE A 68 -9.817 -1.312 -3.947 1.00 0.00 O ATOM 960 CB PHE A 68 -12.026 -0.264 -5.531 1.00 0.00 C ATOM 961 CG PHE A 68 -12.895 -1.490 -5.691 1.00 0.00 C ATOM 962 CD1 PHE A 68 -14.293 -1.380 -5.600 1.00 0.00 C ATOM 963 CD2 PHE A 68 -12.305 -2.751 -5.879 1.00 0.00 C ATOM 964 CE1 PHE A 68 -15.098 -2.523 -5.715 1.00 0.00 C ATOM 965 CE2 PHE A 68 -13.110 -3.895 -5.985 1.00 0.00 C ATOM 966 CZ PHE A 68 -14.507 -3.784 -5.907 1.00 0.00 C ATOM 0 H PHE A 68 -10.377 1.476 -4.720 1.00 0.00 H new ATOM 0 HA PHE A 68 -12.727 0.123 -3.580 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -12.513 0.590 -6.002 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -11.081 -0.419 -6.052 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -14.748 -0.414 -5.441 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -11.231 -2.840 -5.942 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -16.173 -2.434 -5.656 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -12.654 -4.864 -6.127 1.00 0.00 H new ATOM 0 HZ PHE A 68 -15.126 -4.665 -5.994 1.00 0.00 H new ATOM 976 N SER A 69 -11.266 -1.555 -2.245 1.00 0.00 N ATOM 977 CA SER A 69 -10.654 -2.785 -1.763 1.00 0.00 C ATOM 978 C SER A 69 -11.395 -3.975 -2.384 1.00 0.00 C ATOM 979 O SER A 69 -12.425 -3.795 -3.023 1.00 0.00 O ATOM 980 CB SER A 69 -10.645 -2.836 -0.235 1.00 0.00 C ATOM 981 OG SER A 69 -9.654 -3.763 0.160 1.00 0.00 O ATOM 0 H SER A 69 -11.984 -1.163 -1.635 1.00 0.00 H new ATOM 0 HA SER A 69 -9.609 -2.826 -2.070 1.00 0.00 H new ATOM 0 HB2 SER A 69 -10.433 -1.850 0.179 1.00 0.00 H new ATOM 0 HB3 SER A 69 -11.622 -3.137 0.143 1.00 0.00 H new ATOM 0 HG SER A 69 -8.873 -3.281 0.504 1.00 0.00 H new ATOM 987 N GLY A 70 -10.872 -5.185 -2.172 1.00 0.00 N ATOM 988 CA GLY A 70 -11.051 -6.369 -3.011 1.00 0.00 C ATOM 989 C GLY A 70 -12.475 -6.647 -3.492 1.00 0.00 C ATOM 990 O GLY A 70 -12.687 -7.037 -4.643 1.00 0.00 O ATOM 0 H GLY A 70 -10.279 -5.374 -1.364 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -10.407 -6.270 -3.885 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -10.701 -7.239 -2.455 1.00 0.00 H new ATOM 994 N CYS A 71 -13.461 -6.443 -2.619 1.00 0.00 N ATOM 995 CA CYS A 71 -14.864 -6.460 -2.992 1.00 0.00 C ATOM 996 C CYS A 71 -15.532 -5.103 -2.774 1.00 0.00 C ATOM 997 O CYS A 71 -16.525 -4.788 -3.439 1.00 0.00 O ATOM 998 CB CYS A 71 -15.576 -7.535 -2.170 1.00 0.00 C ATOM 999 SG CYS A 71 -17.302 -7.723 -2.636 1.00 0.00 S ATOM 0 H CYS A 71 -13.302 -6.261 -1.628 1.00 0.00 H new ATOM 0 HA CYS A 71 -14.936 -6.683 -4.056 1.00 0.00 H new ATOM 0 HB2 CYS A 71 -15.062 -8.487 -2.299 1.00 0.00 H new ATOM 0 HB3 CYS A 71 -15.514 -7.280 -1.112 1.00 0.00 H new ATOM 1004 N ASN A 72 -15.063 -4.319 -1.802 1.00 0.00 N ATOM 1005 CA ASN A 72 -15.790 -3.172 -1.287 1.00 0.00 C ATOM 1006 C ASN A 72 -14.851 -1.988 -1.248 1.00 0.00 C ATOM 1007 O ASN A 72 -13.773 -2.022 -0.656 1.00 0.00 O ATOM 1008 CB ASN A 72 -16.416 -3.437 0.096 1.00 0.00 C ATOM 1009 CG ASN A 72 -17.186 -4.754 0.226 1.00 0.00 C ATOM 1010 OD1 ASN A 72 -17.155 -5.428 1.238 1.00 0.00 O ATOM 1011 ND2 ASN A 72 -17.909 -5.182 -0.790 1.00 0.00 N ATOM 0 H ASN A 72 -14.161 -4.469 -1.351 1.00 0.00 H new ATOM 0 HA ASN A 72 -16.628 -2.963 -1.953 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -15.623 -3.424 0.844 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -17.092 -2.615 0.334 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -18.425 -6.059 -0.715 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -17.953 -4.636 -1.651 1.00 0.00 H new ATOM 1018 N ARG A 73 -15.281 -0.914 -1.900 1.00 0.00 N ATOM 1019 CA ARG A 73 -14.686 0.399 -1.724 1.00 0.00 C ATOM 1020 C ARG A 73 -14.862 0.873 -0.290 1.00 0.00 C ATOM 1021 O ARG A 73 -15.835 0.508 0.378 1.00 0.00 O ATOM 1022 CB ARG A 73 -15.236 1.390 -2.768 1.00 0.00 C ATOM 1023 CG ARG A 73 -16.766 1.539 -2.707 1.00 0.00 C ATOM 1024 CD ARG A 73 -17.227 2.859 -2.065 1.00 0.00 C ATOM 1025 NE ARG A 73 -17.044 4.017 -2.955 1.00 0.00 N ATOM 1026 CZ ARG A 73 -17.792 5.128 -2.978 1.00 0.00 C ATOM 1027 NH1 ARG A 73 -18.777 5.339 -2.112 1.00 0.00 N ATOM 1028 NH2 ARG A 73 -17.545 6.054 -3.893 1.00 0.00 N ATOM 0 H ARG A 73 -16.053 -0.933 -2.566 1.00 0.00 H new ATOM 0 HA ARG A 73 -13.612 0.337 -1.900 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -14.775 2.365 -2.613 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -14.948 1.056 -3.765 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -17.170 1.474 -3.717 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -17.183 0.704 -2.143 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -18.279 2.778 -1.793 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -16.671 3.023 -1.142 1.00 0.00 H new ATOM 0 HE ARG A 73 -16.272 3.969 -3.620 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -18.986 4.642 -1.397 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -19.324 6.198 -2.162 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -16.793 5.916 -4.568 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -18.107 6.905 -3.922 1.00 0.00 H new ATOM 1042 N TYR A 74 -13.927 1.702 0.153 1.00 0.00 N ATOM 1043 CA TYR A 74 -13.823 2.210 1.507 1.00 0.00 C ATOM 1044 C TYR A 74 -13.409 3.677 1.460 1.00 0.00 C ATOM 1045 O TYR A 74 -13.122 4.223 0.385 1.00 0.00 O ATOM 1046 CB TYR A 74 -12.801 1.382 2.301 1.00 0.00 C ATOM 1047 CG TYR A 74 -11.361 1.608 1.886 1.00 0.00 C ATOM 1048 CD1 TYR A 74 -10.856 1.011 0.717 1.00 0.00 C ATOM 1049 CD2 TYR A 74 -10.526 2.428 2.672 1.00 0.00 C ATOM 1050 CE1 TYR A 74 -9.518 1.189 0.356 1.00 0.00 C ATOM 1051 CE2 TYR A 74 -9.178 2.592 2.335 1.00 0.00 C ATOM 1052 CZ TYR A 74 -8.671 1.937 1.198 1.00 0.00 C ATOM 1053 OH TYR A 74 -7.356 1.999 0.927 1.00 0.00 O ATOM 0 H TYR A 74 -13.186 2.053 -0.454 1.00 0.00 H new ATOM 0 HA TYR A 74 -14.788 2.129 2.007 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -12.903 1.618 3.360 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -13.039 0.325 2.186 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -11.505 0.412 0.096 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -10.929 2.932 3.538 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -9.137 0.758 -0.558 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -8.535 3.214 2.940 1.00 0.00 H new ATOM 0 HH TYR A 74 -7.019 1.099 0.733 1.00 0.00 H new ATOM 1063 N MET A 75 -13.388 4.299 2.636 1.00 0.00 N ATOM 1064 CA MET A 75 -12.997 5.678 2.867 1.00 0.00 C ATOM 1065 C MET A 75 -12.505 5.841 4.313 1.00 0.00 C ATOM 1066 O MET A 75 -12.745 4.961 5.149 1.00 0.00 O ATOM 1067 CB MET A 75 -14.196 6.590 2.553 1.00 0.00 C ATOM 1068 CG MET A 75 -15.444 6.250 3.399 1.00 0.00 C ATOM 1069 SD MET A 75 -16.999 6.083 2.479 1.00 0.00 S ATOM 1070 CE MET A 75 -16.772 4.445 1.735 1.00 0.00 C ATOM 0 H MET A 75 -13.659 3.824 3.497 1.00 0.00 H new ATOM 0 HA MET A 75 -12.173 5.962 2.213 1.00 0.00 H new ATOM 0 HB2 MET A 75 -13.914 7.628 2.731 1.00 0.00 H new ATOM 0 HB3 MET A 75 -14.445 6.504 1.495 1.00 0.00 H new ATOM 0 HG2 MET A 75 -15.256 5.317 3.931 1.00 0.00 H new ATOM 0 HG3 MET A 75 -15.571 7.027 4.153 1.00 0.00 H new ATOM 0 HE1 MET A 75 -17.744 4.026 1.475 1.00 0.00 H new ATOM 0 HE2 MET A 75 -16.163 4.535 0.835 1.00 0.00 H new ATOM 0 HE3 MET A 75 -16.272 3.788 2.447 1.00 0.00 H new ATOM 1080 N GLY A 76 -11.849 6.964 4.615 1.00 0.00 N ATOM 1081 CA GLY A 76 -11.444 7.365 5.956 1.00 0.00 C ATOM 1082 C GLY A 76 -10.447 8.526 5.908 1.00 0.00 C ATOM 1083 O GLY A 76 -10.093 8.993 4.830 1.00 0.00 O ATOM 0 H GLY A 76 -11.577 7.641 3.902 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -12.322 7.659 6.531 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -10.994 6.517 6.472 1.00 0.00 H new ATOM 1087 N SER A 77 -9.958 8.998 7.052 1.00 0.00 N ATOM 1088 CA SER A 77 -9.109 10.194 7.141 1.00 0.00 C ATOM 1089 C SER A 77 -7.667 9.817 7.479 1.00 0.00 C ATOM 1090 O SER A 77 -7.434 9.224 8.536 1.00 0.00 O ATOM 1091 CB SER A 77 -9.708 11.204 8.127 1.00 0.00 C ATOM 1092 OG SER A 77 -9.999 10.666 9.398 1.00 0.00 O ATOM 0 H SER A 77 -10.139 8.560 7.955 1.00 0.00 H new ATOM 0 HA SER A 77 -9.079 10.681 6.166 1.00 0.00 H new ATOM 0 HB2 SER A 77 -9.013 12.035 8.247 1.00 0.00 H new ATOM 0 HB3 SER A 77 -10.623 11.614 7.700 1.00 0.00 H new ATOM 0 HG SER A 77 -9.319 10.002 9.636 1.00 0.00 H new ATOM 1098 N TYR A 78 -6.706 10.158 6.607 1.00 0.00 N ATOM 1099 CA TYR A 78 -5.304 9.758 6.802 1.00 0.00 C ATOM 1100 C TYR A 78 -4.568 10.821 7.639 1.00 0.00 C ATOM 1101 O TYR A 78 -5.214 11.753 8.136 1.00 0.00 O ATOM 1102 CB TYR A 78 -4.633 9.320 5.471 1.00 0.00 C ATOM 1103 CG TYR A 78 -4.499 10.288 4.301 1.00 0.00 C ATOM 1104 CD1 TYR A 78 -5.615 10.597 3.503 1.00 0.00 C ATOM 1105 CD2 TYR A 78 -3.242 10.824 3.954 1.00 0.00 C ATOM 1106 CE1 TYR A 78 -5.500 11.474 2.405 1.00 0.00 C ATOM 1107 CE2 TYR A 78 -3.109 11.672 2.839 1.00 0.00 C ATOM 1108 CZ TYR A 78 -4.243 12.030 2.080 1.00 0.00 C ATOM 1109 OH TYR A 78 -4.128 12.978 1.114 1.00 0.00 O ATOM 0 H TYR A 78 -6.873 10.707 5.764 1.00 0.00 H new ATOM 0 HA TYR A 78 -5.246 8.848 7.399 1.00 0.00 H new ATOM 0 HB2 TYR A 78 -3.628 8.978 5.718 1.00 0.00 H new ATOM 0 HB3 TYR A 78 -5.184 8.453 5.106 1.00 0.00 H new ATOM 0 HD1 TYR A 78 -6.573 10.156 3.734 1.00 0.00 H new ATOM 0 HD2 TYR A 78 -2.374 10.582 4.549 1.00 0.00 H new ATOM 0 HE1 TYR A 78 -6.370 11.720 1.814 1.00 0.00 H new ATOM 0 HE2 TYR A 78 -2.136 12.050 2.563 1.00 0.00 H new ATOM 0 HH TYR A 78 -3.983 12.545 0.247 1.00 0.00 H new ATOM 1119 N ALA A 79 -3.250 10.723 7.823 1.00 0.00 N ATOM 1120 CA ALA A 79 -2.402 11.795 8.345 1.00 0.00 C ATOM 1121 C ALA A 79 -0.934 11.445 8.122 1.00 0.00 C ATOM 1122 O ALA A 79 -0.511 10.352 8.509 1.00 0.00 O ATOM 1123 CB ALA A 79 -2.635 11.971 9.849 1.00 0.00 C ATOM 0 H ALA A 79 -2.730 9.873 7.607 1.00 0.00 H new ATOM 0 HA ALA A 79 -2.653 12.718 7.823 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -1.998 12.772 10.225 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -3.680 12.224 10.028 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -2.393 11.042 10.366 1.00 0.00 H new ATOM 1129 N LEU A 80 -0.140 12.353 7.552 1.00 0.00 N ATOM 1130 CA LEU A 80 1.312 12.142 7.449 1.00 0.00 C ATOM 1131 C LEU A 80 1.973 12.526 8.767 1.00 0.00 C ATOM 1132 O LEU A 80 1.594 13.534 9.367 1.00 0.00 O ATOM 1133 CB LEU A 80 1.941 12.958 6.305 1.00 0.00 C ATOM 1134 CG LEU A 80 1.444 12.656 4.880 1.00 0.00 C ATOM 1135 CD1 LEU A 80 0.996 11.208 4.661 1.00 0.00 C ATOM 1136 CD2 LEU A 80 0.319 13.608 4.488 1.00 0.00 C ATOM 0 H LEU A 80 -0.470 13.234 7.157 1.00 0.00 H new ATOM 0 HA LEU A 80 1.477 11.087 7.230 1.00 0.00 H new ATOM 0 HB2 LEU A 80 1.769 14.015 6.508 1.00 0.00 H new ATOM 0 HB3 LEU A 80 3.019 12.801 6.329 1.00 0.00 H new ATOM 0 HG LEU A 80 2.310 12.809 4.236 1.00 0.00 H new ATOM 0 HD11 LEU A 80 0.661 11.082 3.631 1.00 0.00 H new ATOM 0 HD12 LEU A 80 1.831 10.535 4.856 1.00 0.00 H new ATOM 0 HD13 LEU A 80 0.176 10.974 5.340 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -0.017 13.377 3.477 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -0.513 13.493 5.183 1.00 0.00 H new ATOM 0 HD23 LEU A 80 0.682 14.635 4.524 1.00 0.00 H new ATOM 1148 N LYS A 81 2.956 11.743 9.218 1.00 0.00 N ATOM 1149 CA LYS A 81 3.821 12.010 10.368 1.00 0.00 C ATOM 1150 C LYS A 81 4.972 11.010 10.368 1.00 0.00 C ATOM 1151 O LYS A 81 4.796 9.906 9.862 1.00 0.00 O ATOM 1152 CB LYS A 81 3.001 11.868 11.657 1.00 0.00 C ATOM 1153 CG LYS A 81 2.461 10.446 11.911 1.00 0.00 C ATOM 1154 CD LYS A 81 1.301 10.403 12.911 1.00 0.00 C ATOM 1155 CE LYS A 81 0.121 11.250 12.412 1.00 0.00 C ATOM 1156 NZ LYS A 81 -1.180 10.742 12.884 1.00 0.00 N ATOM 0 H LYS A 81 3.181 10.857 8.765 1.00 0.00 H new ATOM 0 HA LYS A 81 4.224 13.021 10.309 1.00 0.00 H new ATOM 0 HB2 LYS A 81 3.621 12.165 12.503 1.00 0.00 H new ATOM 0 HB3 LYS A 81 2.161 12.562 11.618 1.00 0.00 H new ATOM 0 HG2 LYS A 81 2.131 10.017 10.965 1.00 0.00 H new ATOM 0 HG3 LYS A 81 3.272 9.818 12.280 1.00 0.00 H new ATOM 0 HD2 LYS A 81 0.979 9.372 13.057 1.00 0.00 H new ATOM 0 HD3 LYS A 81 1.636 10.773 13.880 1.00 0.00 H new ATOM 0 HE2 LYS A 81 0.249 12.279 12.748 1.00 0.00 H new ATOM 0 HE3 LYS A 81 0.126 11.268 11.322 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -1.871 11.519 12.901 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -1.515 9.996 12.242 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -1.073 10.352 13.842 1.00 0.00 H new ATOM 1170 N ASP A 82 6.086 11.327 11.021 1.00 0.00 N ATOM 1171 CA ASP A 82 7.208 10.419 11.297 1.00 0.00 C ATOM 1172 C ASP A 82 7.733 9.690 10.053 1.00 0.00 C ATOM 1173 O ASP A 82 7.960 8.482 10.060 1.00 0.00 O ATOM 1174 CB ASP A 82 6.836 9.442 12.424 1.00 0.00 C ATOM 1175 CG ASP A 82 8.072 8.677 12.914 1.00 0.00 C ATOM 1176 OD1 ASP A 82 9.007 9.349 13.411 1.00 0.00 O ATOM 1177 OD2 ASP A 82 8.101 7.430 12.870 1.00 0.00 O ATOM 0 H ASP A 82 6.244 12.264 11.391 1.00 0.00 H new ATOM 0 HA ASP A 82 8.041 11.038 11.630 1.00 0.00 H new ATOM 0 HB2 ASP A 82 6.390 9.990 13.254 1.00 0.00 H new ATOM 0 HB3 ASP A 82 6.085 8.737 12.067 1.00 0.00 H new ATOM 1182 N GLY A 83 7.844 10.385 8.922 1.00 0.00 N ATOM 1183 CA GLY A 83 8.252 9.745 7.677 1.00 0.00 C ATOM 1184 C GLY A 83 7.250 8.731 7.142 1.00 0.00 C ATOM 1185 O GLY A 83 7.505 8.144 6.089 1.00 0.00 O ATOM 0 H GLY A 83 7.658 11.385 8.844 1.00 0.00 H new ATOM 0 HA2 GLY A 83 8.413 10.514 6.921 1.00 0.00 H new ATOM 0 HA3 GLY A 83 9.209 9.247 7.834 1.00 0.00 H new ATOM 1189 N LYS A 84 6.103 8.535 7.793 1.00 0.00 N ATOM 1190 CA LYS A 84 5.112 7.548 7.430 1.00 0.00 C ATOM 1191 C LYS A 84 3.766 8.202 7.191 1.00 0.00 C ATOM 1192 O LYS A 84 3.584 9.419 7.311 1.00 0.00 O ATOM 1193 CB LYS A 84 5.094 6.383 8.435 1.00 0.00 C ATOM 1194 CG LYS A 84 4.686 6.736 9.858 1.00 0.00 C ATOM 1195 CD LYS A 84 4.553 5.479 10.730 1.00 0.00 C ATOM 1196 CE LYS A 84 4.113 5.771 12.172 1.00 0.00 C ATOM 1197 NZ LYS A 84 3.130 6.862 12.273 1.00 0.00 N ATOM 0 H LYS A 84 5.839 9.082 8.613 1.00 0.00 H new ATOM 0 HA LYS A 84 5.385 7.092 6.478 1.00 0.00 H new ATOM 0 HB2 LYS A 84 4.413 5.618 8.062 1.00 0.00 H new ATOM 0 HB3 LYS A 84 6.089 5.938 8.463 1.00 0.00 H new ATOM 0 HG2 LYS A 84 5.426 7.407 10.295 1.00 0.00 H new ATOM 0 HG3 LYS A 84 3.738 7.273 9.844 1.00 0.00 H new ATOM 0 HD2 LYS A 84 3.832 4.803 10.270 1.00 0.00 H new ATOM 0 HD3 LYS A 84 5.511 4.959 10.750 1.00 0.00 H new ATOM 0 HE2 LYS A 84 3.686 4.866 12.604 1.00 0.00 H new ATOM 0 HE3 LYS A 84 4.990 6.026 12.767 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 2.736 6.887 13.235 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 3.595 7.769 12.066 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 2.363 6.702 11.589 1.00 0.00 H new ATOM 1211 N LEU A 85 2.843 7.359 6.772 1.00 0.00 N ATOM 1212 CA LEU A 85 1.475 7.660 6.435 1.00 0.00 C ATOM 1213 C LEU A 85 0.670 6.906 7.483 1.00 0.00 C ATOM 1214 O LEU A 85 0.894 5.715 7.680 1.00 0.00 O ATOM 1215 CB LEU A 85 1.263 7.180 4.988 1.00 0.00 C ATOM 1216 CG LEU A 85 -0.194 7.023 4.540 1.00 0.00 C ATOM 1217 CD1 LEU A 85 -0.990 8.323 4.602 1.00 0.00 C ATOM 1218 CD2 LEU A 85 -0.209 6.513 3.094 1.00 0.00 C ATOM 0 H LEU A 85 3.052 6.368 6.650 1.00 0.00 H new ATOM 0 HA LEU A 85 1.183 8.710 6.453 1.00 0.00 H new ATOM 0 HB2 LEU A 85 1.755 7.884 4.317 1.00 0.00 H new ATOM 0 HB3 LEU A 85 1.765 6.220 4.867 1.00 0.00 H new ATOM 0 HG LEU A 85 -0.667 6.322 5.228 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -2.012 8.140 4.271 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -1.001 8.694 5.627 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -0.526 9.065 3.952 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -1.240 6.396 2.760 1.00 0.00 H new ATOM 0 HD22 LEU A 85 0.302 7.229 2.450 1.00 0.00 H new ATOM 0 HD23 LEU A 85 0.301 5.551 3.042 1.00 0.00 H new ATOM 1230 N SER A 86 -0.202 7.583 8.220 1.00 0.00 N ATOM 1231 CA SER A 86 -1.140 6.918 9.114 1.00 0.00 C ATOM 1232 C SER A 86 -2.524 7.008 8.508 1.00 0.00 C ATOM 1233 O SER A 86 -2.815 7.938 7.755 1.00 0.00 O ATOM 1234 CB SER A 86 -1.056 7.474 10.540 1.00 0.00 C ATOM 1235 OG SER A 86 -1.258 8.874 10.641 1.00 0.00 O ATOM 0 H SER A 86 -0.278 8.600 8.215 1.00 0.00 H new ATOM 0 HA SER A 86 -0.881 5.864 9.215 1.00 0.00 H new ATOM 0 HB2 SER A 86 -1.798 6.968 11.158 1.00 0.00 H new ATOM 0 HB3 SER A 86 -0.077 7.231 10.954 1.00 0.00 H new ATOM 0 HG SER A 86 -0.746 9.330 9.940 1.00 0.00 H new ATOM 1241 N PHE A 87 -3.364 6.049 8.856 1.00 0.00 N ATOM 1242 CA PHE A 87 -4.735 5.921 8.395 1.00 0.00 C ATOM 1243 C PHE A 87 -5.666 5.938 9.600 1.00 0.00 C ATOM 1244 O PHE A 87 -5.275 5.589 10.721 1.00 0.00 O ATOM 1245 CB PHE A 87 -4.928 4.635 7.576 1.00 0.00 C ATOM 1246 CG PHE A 87 -4.393 4.658 6.156 1.00 0.00 C ATOM 1247 CD1 PHE A 87 -3.018 4.498 5.907 1.00 0.00 C ATOM 1248 CD2 PHE A 87 -5.282 4.772 5.067 1.00 0.00 C ATOM 1249 CE1 PHE A 87 -2.541 4.494 4.584 1.00 0.00 C ATOM 1250 CE2 PHE A 87 -4.801 4.815 3.752 1.00 0.00 C ATOM 1251 CZ PHE A 87 -3.427 4.691 3.511 1.00 0.00 C ATOM 0 H PHE A 87 -3.096 5.303 9.498 1.00 0.00 H new ATOM 0 HA PHE A 87 -4.971 6.760 7.740 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -4.449 3.814 8.109 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -5.994 4.411 7.537 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -2.330 4.378 6.730 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -6.345 4.827 5.249 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -1.490 4.339 4.392 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -5.487 4.943 2.928 1.00 0.00 H new ATOM 0 HZ PHE A 87 -3.048 4.747 2.501 1.00 0.00 H new ATOM 1261 N GLY A 88 -6.901 6.371 9.373 1.00 0.00 N ATOM 1262 CA GLY A 88 -7.943 6.418 10.380 1.00 0.00 C ATOM 1263 C GLY A 88 -8.618 5.068 10.577 1.00 0.00 C ATOM 1264 O GLY A 88 -8.228 4.074 9.966 1.00 0.00 O ATOM 0 H GLY A 88 -7.208 6.706 8.460 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -7.516 6.750 11.326 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -8.691 7.157 10.092 1.00 0.00 H new ATOM 1268 N THR A 89 -9.651 5.040 11.416 1.00 0.00 N ATOM 1269 CA THR A 89 -10.611 3.948 11.454 1.00 0.00 C ATOM 1270 C THR A 89 -11.330 3.980 10.103 1.00 0.00 C ATOM 1271 O THR A 89 -12.054 4.934 9.816 1.00 0.00 O ATOM 1272 CB THR A 89 -11.581 4.113 12.643 1.00 0.00 C ATOM 1273 OG1 THR A 89 -10.921 4.703 13.754 1.00 0.00 O ATOM 1274 CG2 THR A 89 -12.113 2.750 13.076 1.00 0.00 C ATOM 0 H THR A 89 -9.843 5.780 12.091 1.00 0.00 H new ATOM 0 HA THR A 89 -10.129 2.982 11.606 1.00 0.00 H new ATOM 0 HB THR A 89 -12.399 4.756 12.318 1.00 0.00 H new ATOM 0 HG1 THR A 89 -11.553 4.800 14.496 1.00 0.00 H new ATOM 0 HG21 THR A 89 -12.797 2.876 13.916 1.00 0.00 H new ATOM 0 HG22 THR A 89 -12.642 2.285 12.244 1.00 0.00 H new ATOM 0 HG23 THR A 89 -11.281 2.114 13.378 1.00 0.00 H new ATOM 1282 N LEU A 90 -11.008 3.046 9.214 1.00 0.00 N ATOM 1283 CA LEU A 90 -11.547 3.001 7.860 1.00 0.00 C ATOM 1284 C LEU A 90 -12.837 2.194 7.854 1.00 0.00 C ATOM 1285 O LEU A 90 -13.073 1.386 8.758 1.00 0.00 O ATOM 1286 CB LEU A 90 -10.577 2.270 6.916 1.00 0.00 C ATOM 1287 CG LEU A 90 -9.149 2.812 6.874 1.00 0.00 C ATOM 1288 CD1 LEU A 90 -8.295 1.936 5.962 1.00 0.00 C ATOM 1289 CD2 LEU A 90 -9.109 4.257 6.385 1.00 0.00 C ATOM 0 H LEU A 90 -10.356 2.288 9.417 1.00 0.00 H new ATOM 0 HA LEU A 90 -11.708 4.028 7.532 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -10.538 1.221 7.208 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -10.988 2.305 5.907 1.00 0.00 H new ATOM 0 HG LEU A 90 -8.752 2.791 7.889 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -7.277 2.324 5.933 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -8.283 0.915 6.344 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -8.714 1.942 4.956 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -8.077 4.607 6.369 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -9.527 4.313 5.380 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -9.695 4.885 7.057 1.00 0.00 H new ATOM 1301 N GLY A 91 -13.586 2.291 6.758 1.00 0.00 N ATOM 1302 CA GLY A 91 -14.633 1.334 6.467 1.00 0.00 C ATOM 1303 C GLY A 91 -15.366 1.664 5.178 1.00 0.00 C ATOM 1304 O GLY A 91 -14.982 2.589 4.452 1.00 0.00 O ATOM 0 H GLY A 91 -13.481 3.027 6.060 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -14.201 0.336 6.393 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -15.344 1.313 7.293 1.00 0.00 H new ATOM 1308 N GLY A 92 -16.394 0.875 4.872 1.00 0.00 N ATOM 1309 CA GLY A 92 -17.176 1.000 3.656 1.00 0.00 C ATOM 1310 C GLY A 92 -18.485 0.232 3.790 1.00 0.00 C ATOM 1311 O GLY A 92 -19.285 0.512 4.683 1.00 0.00 O ATOM 0 H GLY A 92 -16.708 0.117 5.478 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -17.382 2.051 3.454 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -16.607 0.618 2.808 1.00 0.00 H new ATOM 1315 N THR A 93 -18.707 -0.732 2.900 1.00 0.00 N ATOM 1316 CA THR A 93 -19.892 -1.595 2.875 1.00 0.00 C ATOM 1317 C THR A 93 -19.466 -3.067 2.824 1.00 0.00 C ATOM 1318 O THR A 93 -18.277 -3.352 2.953 1.00 0.00 O ATOM 1319 CB THR A 93 -20.865 -1.171 1.756 1.00 0.00 C ATOM 1320 OG1 THR A 93 -20.243 -1.211 0.487 1.00 0.00 O ATOM 1321 CG2 THR A 93 -21.414 0.245 1.965 1.00 0.00 C ATOM 0 H THR A 93 -18.048 -0.943 2.151 1.00 0.00 H new ATOM 0 HA THR A 93 -20.459 -1.475 3.798 1.00 0.00 H new ATOM 0 HB THR A 93 -21.687 -1.886 1.797 1.00 0.00 H new ATOM 0 HG1 THR A 93 -20.886 -0.939 -0.201 1.00 0.00 H new ATOM 0 HG21 THR A 93 -22.094 0.496 1.151 1.00 0.00 H new ATOM 0 HG22 THR A 93 -21.951 0.291 2.913 1.00 0.00 H new ATOM 0 HG23 THR A 93 -20.589 0.957 1.981 1.00 0.00 H new ATOM 1329 N ARG A 94 -20.422 -3.993 2.679 1.00 0.00 N ATOM 1330 CA ARG A 94 -20.232 -5.449 2.711 1.00 0.00 C ATOM 1331 C ARG A 94 -20.911 -6.095 1.503 1.00 0.00 C ATOM 1332 O ARG A 94 -21.642 -7.079 1.623 1.00 0.00 O ATOM 1333 CB ARG A 94 -20.780 -6.016 4.034 1.00 0.00 C ATOM 1334 CG ARG A 94 -19.960 -5.635 5.275 1.00 0.00 C ATOM 1335 CD ARG A 94 -18.615 -6.367 5.358 1.00 0.00 C ATOM 1336 NE ARG A 94 -18.774 -7.830 5.493 1.00 0.00 N ATOM 1337 CZ ARG A 94 -17.781 -8.683 5.774 1.00 0.00 C ATOM 1338 NH1 ARG A 94 -16.550 -8.236 5.977 1.00 0.00 N ATOM 1339 NH2 ARG A 94 -18.011 -9.988 5.865 1.00 0.00 N ATOM 0 H ARG A 94 -21.397 -3.735 2.529 1.00 0.00 H new ATOM 0 HA ARG A 94 -19.168 -5.679 2.657 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -21.804 -5.667 4.169 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -20.821 -7.103 3.960 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -19.781 -4.560 5.269 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -20.542 -5.856 6.169 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -18.031 -6.149 4.464 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -18.050 -5.986 6.209 1.00 0.00 H new ATOM 0 HE ARG A 94 -19.708 -8.218 5.363 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -16.354 -7.237 5.920 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -15.798 -8.891 6.191 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -18.953 -10.351 5.720 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -17.246 -10.627 6.080 1.00 0.00 H new ATOM 1353 N MET A 95 -20.714 -5.515 0.321 1.00 0.00 N ATOM 1354 CA MET A 95 -21.200 -6.093 -0.932 1.00 0.00 C ATOM 1355 C MET A 95 -20.565 -7.483 -1.090 1.00 0.00 C ATOM 1356 O MET A 95 -19.495 -7.735 -0.526 1.00 0.00 O ATOM 1357 CB MET A 95 -20.870 -5.186 -2.130 1.00 0.00 C ATOM 1358 CG MET A 95 -21.015 -3.688 -1.817 1.00 0.00 C ATOM 1359 SD MET A 95 -20.702 -2.545 -3.186 1.00 0.00 S ATOM 1360 CE MET A 95 -18.988 -2.067 -2.868 1.00 0.00 C ATOM 0 H MET A 95 -20.214 -4.633 0.204 1.00 0.00 H new ATOM 0 HA MET A 95 -22.286 -6.183 -0.904 1.00 0.00 H new ATOM 0 HB2 MET A 95 -19.849 -5.385 -2.457 1.00 0.00 H new ATOM 0 HB3 MET A 95 -21.526 -5.441 -2.962 1.00 0.00 H new ATOM 0 HG2 MET A 95 -22.026 -3.512 -1.450 1.00 0.00 H new ATOM 0 HG3 MET A 95 -20.333 -3.441 -1.003 1.00 0.00 H new ATOM 0 HE1 MET A 95 -18.810 -1.067 -3.264 1.00 0.00 H new ATOM 0 HE2 MET A 95 -18.803 -2.070 -1.794 1.00 0.00 H new ATOM 0 HE3 MET A 95 -18.317 -2.775 -3.354 1.00 0.00 H new ATOM 1370 N ALA A 96 -21.204 -8.383 -1.839 1.00 0.00 N ATOM 1371 CA ALA A 96 -20.793 -9.781 -1.910 1.00 0.00 C ATOM 1372 C ALA A 96 -19.899 -10.028 -3.119 1.00 0.00 C ATOM 1373 O ALA A 96 -20.285 -9.717 -4.245 1.00 0.00 O ATOM 1374 CB ALA A 96 -22.010 -10.700 -1.979 1.00 0.00 C ATOM 0 H ALA A 96 -22.019 -8.161 -2.411 1.00 0.00 H new ATOM 0 HA ALA A 96 -20.229 -10.004 -1.004 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -21.680 -11.738 -2.031 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -22.623 -10.559 -1.089 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -22.597 -10.461 -2.866 1.00 0.00 H new ATOM 1380 N CYS A 97 -18.746 -10.647 -2.893 1.00 0.00 N ATOM 1381 CA CYS A 97 -17.925 -11.259 -3.921 1.00 0.00 C ATOM 1382 C CYS A 97 -17.492 -12.614 -3.400 1.00 0.00 C ATOM 1383 O CYS A 97 -16.657 -12.717 -2.497 1.00 0.00 O ATOM 1384 CB CYS A 97 -16.701 -10.404 -4.253 1.00 0.00 C ATOM 1385 SG CYS A 97 -17.055 -8.702 -4.722 1.00 0.00 S ATOM 0 H CYS A 97 -18.348 -10.737 -1.958 1.00 0.00 H new ATOM 0 HA CYS A 97 -18.499 -11.354 -4.843 1.00 0.00 H new ATOM 0 HB2 CYS A 97 -16.039 -10.395 -3.387 1.00 0.00 H new ATOM 0 HB3 CYS A 97 -16.155 -10.881 -5.066 1.00 0.00 H new ATOM 1390 N MET A 98 -18.056 -13.667 -3.981 1.00 0.00 N ATOM 1391 CA MET A 98 -17.491 -15.002 -3.900 1.00 0.00 C ATOM 1392 C MET A 98 -16.228 -15.047 -4.778 1.00 0.00 C ATOM 1393 O MET A 98 -16.208 -15.681 -5.836 1.00 0.00 O ATOM 1394 CB MET A 98 -18.578 -16.046 -4.225 1.00 0.00 C ATOM 1395 CG MET A 98 -19.262 -15.899 -5.592 1.00 0.00 C ATOM 1396 SD MET A 98 -20.833 -16.788 -5.738 1.00 0.00 S ATOM 1397 CE MET A 98 -21.949 -15.458 -5.219 1.00 0.00 C ATOM 0 H MET A 98 -18.919 -13.615 -4.522 1.00 0.00 H new ATOM 0 HA MET A 98 -17.162 -15.258 -2.893 1.00 0.00 H new ATOM 0 HB2 MET A 98 -18.130 -17.038 -4.170 1.00 0.00 H new ATOM 0 HB3 MET A 98 -19.343 -15.998 -3.450 1.00 0.00 H new ATOM 0 HG2 MET A 98 -19.437 -14.841 -5.786 1.00 0.00 H new ATOM 0 HG3 MET A 98 -18.582 -16.256 -6.366 1.00 0.00 H new ATOM 0 HE1 MET A 98 -22.978 -15.816 -5.243 1.00 0.00 H new ATOM 0 HE2 MET A 98 -21.697 -15.147 -4.205 1.00 0.00 H new ATOM 0 HE3 MET A 98 -21.844 -14.610 -5.896 1.00 0.00 H new ATOM 1407 N THR A 99 -15.173 -14.334 -4.374 1.00 0.00 N ATOM 1408 CA THR A 99 -13.852 -14.351 -4.988 1.00 0.00 C ATOM 1409 C THR A 99 -12.797 -14.324 -3.870 1.00 0.00 C ATOM 1410 O THR A 99 -13.046 -13.765 -2.795 1.00 0.00 O ATOM 1411 CB THR A 99 -13.666 -13.150 -5.938 1.00 0.00 C ATOM 1412 OG1 THR A 99 -13.905 -11.932 -5.264 1.00 0.00 O ATOM 1413 CG2 THR A 99 -14.612 -13.179 -7.132 1.00 0.00 C ATOM 0 H THR A 99 -15.224 -13.703 -3.574 1.00 0.00 H new ATOM 0 HA THR A 99 -13.740 -15.256 -5.585 1.00 0.00 H new ATOM 0 HB THR A 99 -12.636 -13.223 -6.288 1.00 0.00 H new ATOM 0 HG1 THR A 99 -13.780 -11.184 -5.885 1.00 0.00 H new ATOM 0 HG21 THR A 99 -14.431 -12.308 -7.761 1.00 0.00 H new ATOM 0 HG22 THR A 99 -14.440 -14.087 -7.711 1.00 0.00 H new ATOM 0 HG23 THR A 99 -15.643 -13.164 -6.780 1.00 0.00 H new ATOM 1421 N PRO A 100 -11.590 -14.863 -4.103 1.00 0.00 N ATOM 1422 CA PRO A 100 -10.504 -14.773 -3.141 1.00 0.00 C ATOM 1423 C PRO A 100 -9.889 -13.366 -3.152 1.00 0.00 C ATOM 1424 O PRO A 100 -9.455 -12.883 -2.102 1.00 0.00 O ATOM 1425 CB PRO A 100 -9.522 -15.860 -3.570 1.00 0.00 C ATOM 1426 CG PRO A 100 -9.680 -15.904 -5.090 1.00 0.00 C ATOM 1427 CD PRO A 100 -11.163 -15.576 -5.296 1.00 0.00 C ATOM 0 HA PRO A 100 -10.826 -14.927 -2.111 1.00 0.00 H new ATOM 0 HB2 PRO A 100 -8.500 -15.615 -3.280 1.00 0.00 H new ATOM 0 HB3 PRO A 100 -9.762 -16.820 -3.114 1.00 0.00 H new ATOM 0 HG2 PRO A 100 -9.034 -15.178 -5.583 1.00 0.00 H new ATOM 0 HG3 PRO A 100 -9.424 -16.884 -5.494 1.00 0.00 H new ATOM 0 HD2 PRO A 100 -11.306 -14.965 -6.187 1.00 0.00 H new ATOM 0 HD3 PRO A 100 -11.747 -16.486 -5.436 1.00 0.00 H new ATOM 1435 N GLY A 101 -9.926 -12.667 -4.295 1.00 0.00 N ATOM 1436 CA GLY A 101 -9.652 -11.240 -4.391 1.00 0.00 C ATOM 1437 C GLY A 101 -10.776 -10.387 -3.819 1.00 0.00 C ATOM 1438 O GLY A 101 -10.623 -9.175 -3.798 1.00 0.00 O ATOM 0 H GLY A 101 -10.153 -13.094 -5.193 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -8.726 -11.016 -3.862 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -9.495 -10.974 -5.436 1.00 0.00 H new ATOM 1442 N GLY A 102 -11.871 -10.979 -3.334 1.00 0.00 N ATOM 1443 CA GLY A 102 -12.943 -10.278 -2.656 1.00 0.00 C ATOM 1444 C GLY A 102 -12.611 -10.149 -1.179 1.00 0.00 C ATOM 1445 O GLY A 102 -12.494 -9.038 -0.666 1.00 0.00 O ATOM 0 H GLY A 102 -12.032 -11.983 -3.408 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -13.081 -9.290 -3.096 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -13.882 -10.817 -2.783 1.00 0.00 H new ATOM 1449 N GLN A 103 -12.407 -11.288 -0.506 1.00 0.00 N ATOM 1450 CA GLN A 103 -12.341 -11.382 0.956 1.00 0.00 C ATOM 1451 C GLN A 103 -11.132 -10.675 1.568 1.00 0.00 C ATOM 1452 O GLN A 103 -11.023 -10.540 2.787 1.00 0.00 O ATOM 1453 CB GLN A 103 -12.338 -12.846 1.387 1.00 0.00 C ATOM 1454 CG GLN A 103 -13.709 -13.487 1.147 1.00 0.00 C ATOM 1455 CD GLN A 103 -14.278 -14.136 2.405 1.00 0.00 C ATOM 1456 OE1 GLN A 103 -15.367 -13.782 2.848 1.00 0.00 O ATOM 1457 NE2 GLN A 103 -13.567 -15.065 3.027 1.00 0.00 N ATOM 0 H GLN A 103 -12.281 -12.187 -0.972 1.00 0.00 H new ATOM 0 HA GLN A 103 -13.228 -10.869 1.328 1.00 0.00 H new ATOM 0 HB2 GLN A 103 -11.574 -13.391 0.832 1.00 0.00 H new ATOM 0 HB3 GLN A 103 -12.078 -12.918 2.443 1.00 0.00 H new ATOM 0 HG2 GLN A 103 -14.404 -12.728 0.788 1.00 0.00 H new ATOM 0 HG3 GLN A 103 -13.623 -14.238 0.362 1.00 0.00 H new ATOM 0 HE21 GLN A 103 -12.663 -15.352 2.651 1.00 0.00 H new ATOM 0 HE22 GLN A 103 -13.923 -15.493 3.882 1.00 0.00 H new ATOM 1466 N ILE A 104 -10.189 -10.249 0.741 1.00 0.00 N ATOM 1467 CA ILE A 104 -9.053 -9.460 1.166 1.00 0.00 C ATOM 1468 C ILE A 104 -9.467 -8.052 1.608 1.00 0.00 C ATOM 1469 O ILE A 104 -8.702 -7.395 2.308 1.00 0.00 O ATOM 1470 CB ILE A 104 -8.032 -9.478 0.027 1.00 0.00 C ATOM 1471 CG1 ILE A 104 -6.733 -8.796 0.475 1.00 0.00 C ATOM 1472 CG2 ILE A 104 -8.560 -8.860 -1.275 1.00 0.00 C ATOM 1473 CD1 ILE A 104 -5.548 -9.535 -0.107 1.00 0.00 C ATOM 0 H ILE A 104 -10.196 -10.447 -0.259 1.00 0.00 H new ATOM 0 HA ILE A 104 -8.593 -9.889 2.056 1.00 0.00 H new ATOM 0 HB ILE A 104 -7.831 -10.525 -0.202 1.00 0.00 H new ATOM 0 HG12 ILE A 104 -6.724 -7.757 0.147 1.00 0.00 H new ATOM 0 HG13 ILE A 104 -6.671 -8.787 1.563 1.00 0.00 H new ATOM 0 HG21 ILE A 104 -7.785 -8.906 -2.040 1.00 0.00 H new ATOM 0 HG22 ILE A 104 -9.436 -9.415 -1.612 1.00 0.00 H new ATOM 0 HG23 ILE A 104 -8.835 -7.820 -1.099 1.00 0.00 H new ATOM 0 HD11 ILE A 104 -4.625 -9.050 0.211 1.00 0.00 H new ATOM 0 HD12 ILE A 104 -5.555 -10.567 0.243 1.00 0.00 H new ATOM 0 HD13 ILE A 104 -5.609 -9.520 -1.195 1.00 0.00 H new ATOM 1485 N GLU A 105 -10.684 -7.617 1.267 1.00 0.00 N ATOM 1486 CA GLU A 105 -11.298 -6.376 1.716 1.00 0.00 C ATOM 1487 C GLU A 105 -11.094 -6.177 3.220 1.00 0.00 C ATOM 1488 O GLU A 105 -10.467 -5.196 3.629 1.00 0.00 O ATOM 1489 CB GLU A 105 -12.760 -6.380 1.229 1.00 0.00 C ATOM 1490 CG GLU A 105 -13.766 -5.540 2.029 1.00 0.00 C ATOM 1491 CD GLU A 105 -14.353 -6.285 3.244 1.00 0.00 C ATOM 1492 OE1 GLU A 105 -14.500 -7.532 3.179 1.00 0.00 O ATOM 1493 OE2 GLU A 105 -14.612 -5.625 4.276 1.00 0.00 O ATOM 0 H GLU A 105 -11.290 -8.148 0.642 1.00 0.00 H new ATOM 0 HA GLU A 105 -10.821 -5.497 1.282 1.00 0.00 H new ATOM 0 HB2 GLU A 105 -12.774 -6.031 0.196 1.00 0.00 H new ATOM 0 HB3 GLU A 105 -13.111 -7.412 1.221 1.00 0.00 H new ATOM 0 HG2 GLU A 105 -13.276 -4.629 2.372 1.00 0.00 H new ATOM 0 HG3 GLU A 105 -14.580 -5.236 1.370 1.00 0.00 H new ATOM 1500 N GLY A 106 -11.531 -7.138 4.033 1.00 0.00 N ATOM 1501 CA GLY A 106 -11.443 -7.024 5.477 1.00 0.00 C ATOM 1502 C GLY A 106 -9.997 -6.956 5.959 1.00 0.00 C ATOM 1503 O GLY A 106 -9.704 -6.213 6.898 1.00 0.00 O ATOM 0 H GLY A 106 -11.952 -8.008 3.707 1.00 0.00 H new ATOM 0 HA2 GLY A 106 -11.976 -6.131 5.803 1.00 0.00 H new ATOM 0 HA3 GLY A 106 -11.939 -7.878 5.939 1.00 0.00 H new ATOM 1507 N ALA A 107 -9.093 -7.725 5.331 1.00 0.00 N ATOM 1508 CA ALA A 107 -7.688 -7.778 5.717 1.00 0.00 C ATOM 1509 C ALA A 107 -7.000 -6.451 5.418 1.00 0.00 C ATOM 1510 O ALA A 107 -6.212 -5.986 6.233 1.00 0.00 O ATOM 1511 CB ALA A 107 -6.965 -8.917 4.984 1.00 0.00 C ATOM 0 H ALA A 107 -9.324 -8.326 4.540 1.00 0.00 H new ATOM 0 HA ALA A 107 -7.641 -7.967 6.790 1.00 0.00 H new ATOM 0 HB1 ALA A 107 -5.918 -8.938 5.287 1.00 0.00 H new ATOM 0 HB2 ALA A 107 -7.435 -9.868 5.236 1.00 0.00 H new ATOM 0 HB3 ALA A 107 -7.028 -8.755 3.908 1.00 0.00 H new ATOM 1517 N TYR A 108 -7.290 -5.849 4.264 1.00 0.00 N ATOM 1518 CA TYR A 108 -6.665 -4.619 3.803 1.00 0.00 C ATOM 1519 C TYR A 108 -6.896 -3.505 4.811 1.00 0.00 C ATOM 1520 O TYR A 108 -5.942 -2.898 5.282 1.00 0.00 O ATOM 1521 CB TYR A 108 -7.230 -4.269 2.428 1.00 0.00 C ATOM 1522 CG TYR A 108 -6.555 -3.121 1.707 1.00 0.00 C ATOM 1523 CD1 TYR A 108 -5.169 -3.159 1.458 1.00 0.00 C ATOM 1524 CD2 TYR A 108 -7.326 -2.059 1.197 1.00 0.00 C ATOM 1525 CE1 TYR A 108 -4.568 -2.184 0.645 1.00 0.00 C ATOM 1526 CE2 TYR A 108 -6.745 -1.141 0.310 1.00 0.00 C ATOM 1527 CZ TYR A 108 -5.370 -1.217 0.010 1.00 0.00 C ATOM 1528 OH TYR A 108 -4.841 -0.401 -0.935 1.00 0.00 O ATOM 0 H TYR A 108 -7.983 -6.216 3.612 1.00 0.00 H new ATOM 0 HA TYR A 108 -5.587 -4.751 3.713 1.00 0.00 H new ATOM 0 HB2 TYR A 108 -7.170 -5.155 1.796 1.00 0.00 H new ATOM 0 HB3 TYR A 108 -8.287 -4.030 2.541 1.00 0.00 H new ATOM 0 HD1 TYR A 108 -4.566 -3.941 1.894 1.00 0.00 H new ATOM 0 HD2 TYR A 108 -8.361 -1.952 1.488 1.00 0.00 H new ATOM 0 HE1 TYR A 108 -3.497 -2.176 0.508 1.00 0.00 H new ATOM 0 HE2 TYR A 108 -7.353 -0.373 -0.145 1.00 0.00 H new ATOM 0 HH TYR A 108 -3.870 -0.347 -0.815 1.00 0.00 H new ATOM 1538 N LEU A 109 -8.151 -3.278 5.211 1.00 0.00 N ATOM 1539 CA LEU A 109 -8.467 -2.265 6.216 1.00 0.00 C ATOM 1540 C LEU A 109 -7.672 -2.550 7.499 1.00 0.00 C ATOM 1541 O LEU A 109 -7.063 -1.645 8.060 1.00 0.00 O ATOM 1542 CB LEU A 109 -9.985 -2.224 6.486 1.00 0.00 C ATOM 1543 CG LEU A 109 -10.879 -2.014 5.243 1.00 0.00 C ATOM 1544 CD1 LEU A 109 -12.358 -2.151 5.609 1.00 0.00 C ATOM 1545 CD2 LEU A 109 -10.648 -0.672 4.546 1.00 0.00 C ATOM 0 H LEU A 109 -8.962 -3.783 4.853 1.00 0.00 H new ATOM 0 HA LEU A 109 -8.178 -1.282 5.844 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -10.276 -3.158 6.967 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -10.188 -1.423 7.197 1.00 0.00 H new ATOM 0 HG LEU A 109 -10.595 -2.795 4.538 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -12.969 -1.999 4.719 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -12.543 -3.147 6.010 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -12.618 -1.404 6.359 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -11.308 -0.592 3.683 1.00 0.00 H new ATOM 0 HD22 LEU A 109 -10.860 0.140 5.241 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -9.611 -0.607 4.217 1.00 0.00 H new ATOM 1557 N ASN A 110 -7.593 -3.820 7.909 1.00 0.00 N ATOM 1558 CA ASN A 110 -6.845 -4.285 9.085 1.00 0.00 C ATOM 1559 C ASN A 110 -5.322 -4.200 8.957 1.00 0.00 C ATOM 1560 O ASN A 110 -4.600 -4.463 9.921 1.00 0.00 O ATOM 1561 CB ASN A 110 -7.183 -5.755 9.344 1.00 0.00 C ATOM 1562 CG ASN A 110 -7.387 -6.023 10.823 1.00 0.00 C ATOM 1563 OD1 ASN A 110 -8.443 -6.514 11.222 1.00 0.00 O ATOM 1564 ND2 ASN A 110 -6.418 -5.720 11.663 1.00 0.00 N ATOM 0 H ASN A 110 -8.063 -4.579 7.416 1.00 0.00 H new ATOM 0 HA ASN A 110 -7.145 -3.619 9.894 1.00 0.00 H new ATOM 0 HB2 ASN A 110 -8.086 -6.025 8.796 1.00 0.00 H new ATOM 0 HB3 ASN A 110 -6.380 -6.387 8.965 1.00 0.00 H new ATOM 0 HD21 ASN A 110 -6.536 -5.892 12.661 1.00 0.00 H new ATOM 0 HD22 ASN A 110 -5.550 -5.314 11.315 1.00 0.00 H new ATOM 1571 N ALA A 111 -4.836 -3.941 7.753 1.00 0.00 N ATOM 1572 CA ALA A 111 -3.431 -3.770 7.437 1.00 0.00 C ATOM 1573 C ALA A 111 -3.083 -2.291 7.264 1.00 0.00 C ATOM 1574 O ALA A 111 -1.931 -1.928 7.488 1.00 0.00 O ATOM 1575 CB ALA A 111 -3.087 -4.597 6.197 1.00 0.00 C ATOM 0 H ALA A 111 -5.438 -3.840 6.936 1.00 0.00 H new ATOM 0 HA ALA A 111 -2.824 -4.133 8.267 1.00 0.00 H new ATOM 0 HB1 ALA A 111 -2.031 -4.471 5.957 1.00 0.00 H new ATOM 0 HB2 ALA A 111 -3.291 -5.650 6.394 1.00 0.00 H new ATOM 0 HB3 ALA A 111 -3.693 -4.261 5.356 1.00 0.00 H new ATOM 1581 N LEU A 112 -4.037 -1.413 6.937 1.00 0.00 N ATOM 1582 CA LEU A 112 -3.825 0.030 7.054 1.00 0.00 C ATOM 1583 C LEU A 112 -3.751 0.451 8.526 1.00 0.00 C ATOM 1584 O LEU A 112 -3.077 1.432 8.848 1.00 0.00 O ATOM 1585 CB LEU A 112 -4.937 0.838 6.362 1.00 0.00 C ATOM 1586 CG LEU A 112 -4.874 1.052 4.833 1.00 0.00 C ATOM 1587 CD1 LEU A 112 -3.451 1.149 4.273 1.00 0.00 C ATOM 1588 CD2 LEU A 112 -5.659 0.027 4.024 1.00 0.00 C ATOM 0 H LEU A 112 -4.959 -1.677 6.591 1.00 0.00 H new ATOM 0 HA LEU A 112 -2.879 0.245 6.557 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -5.885 0.349 6.586 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -4.967 1.822 6.830 1.00 0.00 H new ATOM 0 HG LEU A 112 -5.357 2.022 4.712 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -3.494 1.299 3.194 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -2.934 1.990 4.736 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -2.911 0.227 4.490 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -5.562 0.250 2.962 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -5.267 -0.971 4.223 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -6.711 0.067 4.308 1.00 0.00 H new ATOM 1600 N THR A 113 -4.385 -0.285 9.445 1.00 0.00 N ATOM 1601 CA THR A 113 -4.365 0.044 10.870 1.00 0.00 C ATOM 1602 C THR A 113 -2.997 -0.266 11.513 1.00 0.00 C ATOM 1603 O THR A 113 -2.785 -0.004 12.701 1.00 0.00 O ATOM 1604 CB THR A 113 -5.556 -0.638 11.575 1.00 0.00 C ATOM 1605 OG1 THR A 113 -5.585 -2.027 11.351 1.00 0.00 O ATOM 1606 CG2 THR A 113 -6.896 -0.102 11.058 1.00 0.00 C ATOM 0 H THR A 113 -4.924 -1.122 9.221 1.00 0.00 H new ATOM 0 HA THR A 113 -4.490 1.120 10.995 1.00 0.00 H new ATOM 0 HB THR A 113 -5.420 -0.421 12.634 1.00 0.00 H new ATOM 0 HG1 THR A 113 -6.354 -2.417 11.817 1.00 0.00 H new ATOM 0 HG21 THR A 113 -7.713 -0.604 11.576 1.00 0.00 H new ATOM 0 HG22 THR A 113 -6.954 0.971 11.242 1.00 0.00 H new ATOM 0 HG23 THR A 113 -6.975 -0.291 9.987 1.00 0.00 H new ATOM 1614 N HIS A 114 -2.048 -0.798 10.738 1.00 0.00 N ATOM 1615 CA HIS A 114 -0.718 -1.198 11.148 1.00 0.00 C ATOM 1616 C HIS A 114 0.259 -0.617 10.117 1.00 0.00 C ATOM 1617 O HIS A 114 0.610 -1.296 9.159 1.00 0.00 O ATOM 1618 CB HIS A 114 -0.654 -2.736 11.188 1.00 0.00 C ATOM 1619 CG HIS A 114 -1.382 -3.412 12.323 1.00 0.00 C ATOM 1620 ND1 HIS A 114 -0.794 -4.141 13.328 1.00 0.00 N ATOM 1621 CD2 HIS A 114 -2.735 -3.574 12.441 1.00 0.00 C ATOM 1622 CE1 HIS A 114 -1.766 -4.704 14.056 1.00 0.00 C ATOM 1623 NE2 HIS A 114 -2.978 -4.375 13.569 1.00 0.00 N ATOM 0 H HIS A 114 -2.208 -0.968 9.745 1.00 0.00 H new ATOM 0 HA HIS A 114 -0.461 -0.830 12.141 1.00 0.00 H new ATOM 0 HB2 HIS A 114 -1.056 -3.118 10.250 1.00 0.00 H new ATOM 0 HB3 HIS A 114 0.394 -3.033 11.231 1.00 0.00 H new ATOM 0 HD1 HIS A 114 0.208 -4.237 13.491 1.00 0.00 H new ATOM 0 HD2 HIS A 114 -3.484 -3.159 11.783 1.00 0.00 H new ATOM 0 HE1 HIS A 114 -1.601 -5.336 14.916 1.00 0.00 H new ATOM 1631 N ILE A 115 0.706 0.630 10.287 1.00 0.00 N ATOM 1632 CA ILE A 115 1.813 1.206 9.542 1.00 0.00 C ATOM 1633 C ILE A 115 2.848 1.463 10.617 1.00 0.00 C ATOM 1634 O ILE A 115 2.813 2.516 11.263 1.00 0.00 O ATOM 1635 CB ILE A 115 1.421 2.498 8.786 1.00 0.00 C ATOM 1636 CG1 ILE A 115 0.084 2.385 8.033 1.00 0.00 C ATOM 1637 CG2 ILE A 115 2.571 2.961 7.884 1.00 0.00 C ATOM 1638 CD1 ILE A 115 0.105 1.514 6.779 1.00 0.00 C ATOM 0 H ILE A 115 0.296 1.275 10.962 1.00 0.00 H new ATOM 0 HA ILE A 115 2.171 0.549 8.749 1.00 0.00 H new ATOM 0 HB ILE A 115 1.250 3.270 9.536 1.00 0.00 H new ATOM 0 HG12 ILE A 115 -0.665 1.987 8.717 1.00 0.00 H new ATOM 0 HG13 ILE A 115 -0.240 3.387 7.752 1.00 0.00 H new ATOM 0 HG21 ILE A 115 2.279 3.871 7.360 1.00 0.00 H new ATOM 0 HG22 ILE A 115 3.453 3.160 8.493 1.00 0.00 H new ATOM 0 HG23 ILE A 115 2.800 2.181 7.158 1.00 0.00 H new ATOM 0 HD11 ILE A 115 -0.887 1.503 6.327 1.00 0.00 H new ATOM 0 HD12 ILE A 115 0.824 1.919 6.067 1.00 0.00 H new ATOM 0 HD13 ILE A 115 0.392 0.497 7.047 1.00 0.00 H new ATOM 1650 N ASP A 116 3.695 0.477 10.905 1.00 0.00 N ATOM 1651 CA ASP A 116 4.837 0.770 11.764 1.00 0.00 C ATOM 1652 C ASP A 116 5.854 1.565 10.970 1.00 0.00 C ATOM 1653 O ASP A 116 6.370 2.558 11.483 1.00 0.00 O ATOM 1654 CB ASP A 116 5.483 -0.469 12.367 1.00 0.00 C ATOM 1655 CG ASP A 116 6.320 -0.054 13.581 1.00 0.00 C ATOM 1656 OD1 ASP A 116 5.712 0.295 14.622 1.00 0.00 O ATOM 1657 OD2 ASP A 116 7.566 -0.013 13.490 1.00 0.00 O ATOM 0 H ASP A 116 3.620 -0.485 10.575 1.00 0.00 H new ATOM 0 HA ASP A 116 4.468 1.349 12.610 1.00 0.00 H new ATOM 0 HB2 ASP A 116 4.718 -1.186 12.665 1.00 0.00 H new ATOM 0 HB3 ASP A 116 6.112 -0.964 11.627 1.00 0.00 H new ATOM 1662 N ARG A 117 6.086 1.177 9.708 1.00 0.00 N ATOM 1663 CA ARG A 117 7.103 1.783 8.866 1.00 0.00 C ATOM 1664 C ARG A 117 6.508 2.238 7.527 1.00 0.00 C ATOM 1665 O ARG A 117 5.347 1.960 7.238 1.00 0.00 O ATOM 1666 CB ARG A 117 8.199 0.725 8.687 1.00 0.00 C ATOM 1667 CG ARG A 117 9.366 0.812 9.667 1.00 0.00 C ATOM 1668 CD ARG A 117 10.653 0.294 9.002 1.00 0.00 C ATOM 1669 NE ARG A 117 10.977 -1.104 9.347 1.00 0.00 N ATOM 1670 CZ ARG A 117 12.160 -1.539 9.802 1.00 0.00 C ATOM 1671 NH1 ARG A 117 13.158 -0.680 9.972 1.00 0.00 N ATOM 1672 NH2 ARG A 117 12.343 -2.825 10.078 1.00 0.00 N ATOM 0 H ARG A 117 5.566 0.429 9.249 1.00 0.00 H new ATOM 0 HA ARG A 117 7.517 2.683 9.321 1.00 0.00 H new ATOM 0 HB2 ARG A 117 7.745 -0.262 8.777 1.00 0.00 H new ATOM 0 HB3 ARG A 117 8.592 0.803 7.673 1.00 0.00 H new ATOM 0 HG2 ARG A 117 9.504 1.844 9.990 1.00 0.00 H new ATOM 0 HG3 ARG A 117 9.147 0.225 10.559 1.00 0.00 H new ATOM 0 HD2 ARG A 117 10.552 0.378 7.920 1.00 0.00 H new ATOM 0 HD3 ARG A 117 11.486 0.934 9.295 1.00 0.00 H new ATOM 0 HE ARG A 117 10.238 -1.797 9.229 1.00 0.00 H new ATOM 0 HH11 ARG A 117 13.023 0.308 9.756 1.00 0.00 H new ATOM 0 HH12 ARG A 117 14.060 -1.008 10.318 1.00 0.00 H new ATOM 0 HH21 ARG A 117 11.580 -3.489 9.944 1.00 0.00 H new ATOM 0 HH22 ARG A 117 13.246 -3.149 10.424 1.00 0.00 H new ATOM 1686 N THR A 118 7.259 2.933 6.672 1.00 0.00 N ATOM 1687 CA THR A 118 6.831 3.362 5.333 1.00 0.00 C ATOM 1688 C THR A 118 8.078 3.558 4.455 1.00 0.00 C ATOM 1689 O THR A 118 9.190 3.680 4.974 1.00 0.00 O ATOM 1690 CB THR A 118 5.995 4.650 5.509 1.00 0.00 C ATOM 1691 OG1 THR A 118 4.745 4.327 6.078 1.00 0.00 O ATOM 1692 CG2 THR A 118 5.636 5.470 4.270 1.00 0.00 C ATOM 0 H THR A 118 8.211 3.223 6.895 1.00 0.00 H new ATOM 0 HA THR A 118 6.209 2.621 4.830 1.00 0.00 H new ATOM 0 HB THR A 118 6.667 5.259 6.113 1.00 0.00 H new ATOM 0 HG1 THR A 118 4.793 3.439 6.489 1.00 0.00 H new ATOM 0 HG21 THR A 118 5.049 6.339 4.567 1.00 0.00 H new ATOM 0 HG22 THR A 118 6.549 5.800 3.775 1.00 0.00 H new ATOM 0 HG23 THR A 118 5.053 4.856 3.583 1.00 0.00 H new ATOM 1700 N GLY A 119 7.912 3.606 3.130 1.00 0.00 N ATOM 1701 CA GLY A 119 8.973 3.815 2.158 1.00 0.00 C ATOM 1702 C GLY A 119 8.368 4.163 0.802 1.00 0.00 C ATOM 1703 O GLY A 119 8.054 3.271 0.017 1.00 0.00 O ATOM 0 H GLY A 119 6.996 3.495 2.695 1.00 0.00 H new ATOM 0 HA2 GLY A 119 9.631 4.618 2.490 1.00 0.00 H new ATOM 0 HA3 GLY A 119 9.585 2.917 2.074 1.00 0.00 H new ATOM 1707 N VAL A 120 8.190 5.451 0.503 1.00 0.00 N ATOM 1708 CA VAL A 120 7.796 5.899 -0.833 1.00 0.00 C ATOM 1709 C VAL A 120 9.049 6.180 -1.663 1.00 0.00 C ATOM 1710 O VAL A 120 9.991 6.818 -1.184 1.00 0.00 O ATOM 1711 CB VAL A 120 6.771 7.041 -0.784 1.00 0.00 C ATOM 1712 CG1 VAL A 120 7.135 8.110 0.241 1.00 0.00 C ATOM 1713 CG2 VAL A 120 6.557 7.635 -2.187 1.00 0.00 C ATOM 0 H VAL A 120 8.314 6.208 1.175 1.00 0.00 H new ATOM 0 HA VAL A 120 7.257 5.104 -1.348 1.00 0.00 H new ATOM 0 HB VAL A 120 5.824 6.617 -0.449 1.00 0.00 H new ATOM 0 HG11 VAL A 120 6.377 8.894 0.234 1.00 0.00 H new ATOM 0 HG12 VAL A 120 7.184 7.661 1.233 1.00 0.00 H new ATOM 0 HG13 VAL A 120 8.104 8.540 -0.011 1.00 0.00 H new ATOM 0 HG21 VAL A 120 5.827 8.443 -2.133 1.00 0.00 H new ATOM 0 HG22 VAL A 120 7.502 8.024 -2.565 1.00 0.00 H new ATOM 0 HG23 VAL A 120 6.190 6.859 -2.858 1.00 0.00 H new ATOM 1723 N GLN A 121 9.048 5.720 -2.914 1.00 0.00 N ATOM 1724 CA GLN A 121 10.018 6.070 -3.932 1.00 0.00 C ATOM 1725 C GLN A 121 9.300 7.012 -4.911 1.00 0.00 C ATOM 1726 O GLN A 121 8.544 6.578 -5.782 1.00 0.00 O ATOM 1727 CB GLN A 121 10.542 4.801 -4.616 1.00 0.00 C ATOM 1728 CG GLN A 121 11.688 5.158 -5.582 1.00 0.00 C ATOM 1729 CD GLN A 121 11.965 4.124 -6.667 1.00 0.00 C ATOM 1730 OE1 GLN A 121 10.929 3.509 -7.206 1.00 0.00 O flip ATOM 1731 NE2 GLN A 121 13.109 3.945 -7.081 1.00 0.00 N flip ATOM 0 H GLN A 121 8.340 5.068 -3.252 1.00 0.00 H new ATOM 0 HA GLN A 121 10.891 6.571 -3.514 1.00 0.00 H new ATOM 0 HB2 GLN A 121 10.895 4.093 -3.866 1.00 0.00 H new ATOM 0 HB3 GLN A 121 9.735 4.312 -5.161 1.00 0.00 H new ATOM 0 HG2 GLN A 121 11.456 6.110 -6.060 1.00 0.00 H new ATOM 0 HG3 GLN A 121 12.599 5.306 -5.002 1.00 0.00 H new ATOM 0 HE21 GLN A 121 13.891 4.434 -6.645 1.00 0.00 H new ATOM 0 HE22 GLN A 121 13.276 3.308 -7.860 1.00 0.00 H new ATOM 1740 N MET A 122 9.500 8.322 -4.772 1.00 0.00 N ATOM 1741 CA MET A 122 8.907 9.356 -5.622 1.00 0.00 C ATOM 1742 C MET A 122 9.614 9.482 -6.987 1.00 0.00 C ATOM 1743 O MET A 122 9.383 10.444 -7.729 1.00 0.00 O ATOM 1744 CB MET A 122 8.869 10.680 -4.835 1.00 0.00 C ATOM 1745 CG MET A 122 7.935 11.723 -5.477 1.00 0.00 C ATOM 1746 SD MET A 122 6.472 12.231 -4.543 1.00 0.00 S ATOM 1747 CE MET A 122 5.684 10.652 -4.147 1.00 0.00 C ATOM 0 H MET A 122 10.099 8.706 -4.041 1.00 0.00 H new ATOM 0 HA MET A 122 7.886 9.070 -5.873 1.00 0.00 H new ATOM 0 HB2 MET A 122 8.541 10.483 -3.815 1.00 0.00 H new ATOM 0 HB3 MET A 122 9.877 11.090 -4.772 1.00 0.00 H new ATOM 0 HG2 MET A 122 8.524 12.615 -5.688 1.00 0.00 H new ATOM 0 HG3 MET A 122 7.600 11.328 -6.436 1.00 0.00 H new ATOM 0 HE1 MET A 122 4.616 10.717 -4.353 1.00 0.00 H new ATOM 0 HE2 MET A 122 6.124 9.863 -4.757 1.00 0.00 H new ATOM 0 HE3 MET A 122 5.837 10.423 -3.092 1.00 0.00 H new ATOM 1757 N ARG A 123 10.453 8.514 -7.346 1.00 0.00 N ATOM 1758 CA ARG A 123 11.291 8.484 -8.535 1.00 0.00 C ATOM 1759 C ARG A 123 10.731 7.422 -9.473 1.00 0.00 C ATOM 1760 O ARG A 123 10.438 6.330 -9.009 1.00 0.00 O ATOM 1761 CB ARG A 123 12.699 8.128 -8.038 1.00 0.00 C ATOM 1762 CG ARG A 123 13.845 8.455 -8.993 1.00 0.00 C ATOM 1763 CD ARG A 123 13.865 7.639 -10.292 1.00 0.00 C ATOM 1764 NE ARG A 123 15.184 7.662 -10.935 1.00 0.00 N ATOM 1765 CZ ARG A 123 15.908 8.726 -11.293 1.00 0.00 C ATOM 1766 NH1 ARG A 123 15.376 9.946 -11.331 1.00 0.00 N ATOM 1767 NH2 ARG A 123 17.187 8.555 -11.593 1.00 0.00 N ATOM 0 H ARG A 123 10.571 7.677 -6.775 1.00 0.00 H new ATOM 0 HA ARG A 123 11.318 9.427 -9.081 1.00 0.00 H new ATOM 0 HB2 ARG A 123 12.875 8.651 -7.098 1.00 0.00 H new ATOM 0 HB3 ARG A 123 12.727 7.061 -7.819 1.00 0.00 H new ATOM 0 HG2 ARG A 123 13.793 9.513 -9.248 1.00 0.00 H new ATOM 0 HG3 ARG A 123 14.788 8.299 -8.470 1.00 0.00 H new ATOM 0 HD2 ARG A 123 13.584 6.608 -10.077 1.00 0.00 H new ATOM 0 HD3 ARG A 123 13.119 8.035 -10.981 1.00 0.00 H new ATOM 0 HE ARG A 123 15.600 6.752 -11.133 1.00 0.00 H new ATOM 0 HH11 ARG A 123 14.396 10.083 -11.084 1.00 0.00 H new ATOM 0 HH12 ARG A 123 15.948 10.744 -11.607 1.00 0.00 H new ATOM 0 HH21 ARG A 123 17.601 7.624 -11.548 1.00 0.00 H new ATOM 0 HH22 ARG A 123 17.757 9.354 -11.869 1.00 0.00 H new ATOM 1781 N ALA A 124 10.557 7.736 -10.758 1.00 0.00 N ATOM 1782 CA ALA A 124 10.106 6.821 -11.791 1.00 0.00 C ATOM 1783 C ALA A 124 11.026 5.592 -11.848 1.00 0.00 C ATOM 1784 O ALA A 124 12.220 5.781 -12.089 1.00 0.00 O ATOM 1785 CB ALA A 124 10.074 7.547 -13.139 1.00 0.00 C ATOM 0 H ALA A 124 10.736 8.675 -11.115 1.00 0.00 H new ATOM 0 HA ALA A 124 9.099 6.476 -11.558 1.00 0.00 H new ATOM 0 HB1 ALA A 124 9.735 6.860 -13.914 1.00 0.00 H new ATOM 0 HB2 ALA A 124 9.390 8.393 -13.080 1.00 0.00 H new ATOM 0 HB3 ALA A 124 11.074 7.905 -13.383 1.00 0.00 H new ATOM 1791 N PRO A 125 10.516 4.356 -11.724 1.00 0.00 N ATOM 1792 CA PRO A 125 9.107 4.001 -11.623 1.00 0.00 C ATOM 1793 C PRO A 125 8.575 4.258 -10.211 1.00 0.00 C ATOM 1794 O PRO A 125 9.000 3.620 -9.252 1.00 0.00 O ATOM 1795 CB PRO A 125 9.042 2.520 -12.009 1.00 0.00 C ATOM 1796 CG PRO A 125 10.401 1.975 -11.568 1.00 0.00 C ATOM 1797 CD PRO A 125 11.339 3.159 -11.786 1.00 0.00 C ATOM 0 HA PRO A 125 8.479 4.605 -12.277 1.00 0.00 H new ATOM 0 HB2 PRO A 125 8.222 2.009 -11.504 1.00 0.00 H new ATOM 0 HB3 PRO A 125 8.886 2.391 -13.080 1.00 0.00 H new ATOM 0 HG2 PRO A 125 10.389 1.658 -10.525 1.00 0.00 H new ATOM 0 HG3 PRO A 125 10.700 1.110 -12.161 1.00 0.00 H new ATOM 0 HD2 PRO A 125 12.117 3.183 -11.023 1.00 0.00 H new ATOM 0 HD3 PRO A 125 11.841 3.083 -12.750 1.00 0.00 H new ATOM 1805 N GLN A 126 7.686 5.244 -10.074 1.00 0.00 N ATOM 1806 CA GLN A 126 7.241 5.724 -8.783 1.00 0.00 C ATOM 1807 C GLN A 126 6.386 4.628 -8.176 1.00 0.00 C ATOM 1808 O GLN A 126 5.371 4.219 -8.742 1.00 0.00 O ATOM 1809 CB GLN A 126 6.448 7.028 -8.889 1.00 0.00 C ATOM 1810 CG GLN A 126 7.214 8.179 -9.550 1.00 0.00 C ATOM 1811 CD GLN A 126 6.359 9.441 -9.638 1.00 0.00 C ATOM 1812 OE1 GLN A 126 5.411 9.507 -10.408 1.00 0.00 O ATOM 1813 NE2 GLN A 126 6.665 10.474 -8.869 1.00 0.00 N ATOM 0 H GLN A 126 7.259 5.728 -10.864 1.00 0.00 H new ATOM 0 HA GLN A 126 8.105 5.949 -8.157 1.00 0.00 H new ATOM 0 HB2 GLN A 126 5.536 6.840 -9.456 1.00 0.00 H new ATOM 0 HB3 GLN A 126 6.143 7.337 -7.889 1.00 0.00 H new ATOM 0 HG2 GLN A 126 8.119 8.390 -8.980 1.00 0.00 H new ATOM 0 HG3 GLN A 126 7.529 7.881 -10.550 1.00 0.00 H new ATOM 0 HE21 GLN A 126 7.456 10.416 -8.228 1.00 0.00 H new ATOM 0 HE22 GLN A 126 6.110 11.328 -8.918 1.00 0.00 H new ATOM 1822 N GLN A 127 6.799 4.182 -7.005 1.00 0.00 N ATOM 1823 CA GLN A 127 6.099 3.179 -6.237 1.00 0.00 C ATOM 1824 C GLN A 127 6.090 3.618 -4.788 1.00 0.00 C ATOM 1825 O GLN A 127 6.880 4.461 -4.349 1.00 0.00 O ATOM 1826 CB GLN A 127 6.736 1.787 -6.386 1.00 0.00 C ATOM 1827 CG GLN A 127 6.580 1.186 -7.791 1.00 0.00 C ATOM 1828 CD GLN A 127 6.579 -0.342 -7.741 1.00 0.00 C ATOM 1829 OE1 GLN A 127 7.365 -0.966 -7.029 1.00 0.00 O ATOM 1830 NE2 GLN A 127 5.682 -1.004 -8.450 1.00 0.00 N ATOM 0 H GLN A 127 7.650 4.517 -6.554 1.00 0.00 H new ATOM 0 HA GLN A 127 5.080 3.088 -6.612 1.00 0.00 H new ATOM 0 HB2 GLN A 127 7.797 1.854 -6.145 1.00 0.00 H new ATOM 0 HB3 GLN A 127 6.286 1.111 -5.659 1.00 0.00 H new ATOM 0 HG2 GLN A 127 5.651 1.539 -8.239 1.00 0.00 H new ATOM 0 HG3 GLN A 127 7.393 1.531 -8.430 1.00 0.00 H new ATOM 0 HE21 GLN A 127 5.026 -0.497 -9.044 1.00 0.00 H new ATOM 0 HE22 GLN A 127 5.646 -2.022 -8.404 1.00 0.00 H new ATOM 1839 N MET A 128 5.191 3.012 -4.039 1.00 0.00 N ATOM 1840 CA MET A 128 5.062 3.187 -2.618 1.00 0.00 C ATOM 1841 C MET A 128 5.168 1.786 -2.037 1.00 0.00 C ATOM 1842 O MET A 128 4.565 0.847 -2.571 1.00 0.00 O ATOM 1843 CB MET A 128 3.726 3.883 -2.342 1.00 0.00 C ATOM 1844 CG MET A 128 3.589 4.247 -0.874 1.00 0.00 C ATOM 1845 SD MET A 128 2.062 5.048 -0.336 1.00 0.00 S ATOM 1846 CE MET A 128 0.871 3.884 -1.020 1.00 0.00 C ATOM 0 H MET A 128 4.507 2.361 -4.424 1.00 0.00 H new ATOM 0 HA MET A 128 5.825 3.817 -2.162 1.00 0.00 H new ATOM 0 HB2 MET A 128 3.649 4.784 -2.951 1.00 0.00 H new ATOM 0 HB3 MET A 128 2.905 3.229 -2.635 1.00 0.00 H new ATOM 0 HG2 MET A 128 3.710 3.334 -0.291 1.00 0.00 H new ATOM 0 HG3 MET A 128 4.420 4.903 -0.614 1.00 0.00 H new ATOM 0 HE1 MET A 128 -0.136 4.179 -0.725 1.00 0.00 H new ATOM 0 HE2 MET A 128 0.945 3.884 -2.107 1.00 0.00 H new ATOM 0 HE3 MET A 128 1.082 2.884 -0.642 1.00 0.00 H new ATOM 1856 N GLN A 129 5.922 1.632 -0.953 1.00 0.00 N ATOM 1857 CA GLN A 129 6.043 0.378 -0.233 1.00 0.00 C ATOM 1858 C GLN A 129 5.625 0.611 1.212 1.00 0.00 C ATOM 1859 O GLN A 129 6.047 1.590 1.834 1.00 0.00 O ATOM 1860 CB GLN A 129 7.471 -0.164 -0.354 1.00 0.00 C ATOM 1861 CG GLN A 129 7.430 -1.636 -0.774 1.00 0.00 C ATOM 1862 CD GLN A 129 8.820 -2.258 -0.845 1.00 0.00 C ATOM 1863 OE1 GLN A 129 9.823 -1.670 -0.432 1.00 0.00 O ATOM 1864 NE2 GLN A 129 8.930 -3.459 -1.371 1.00 0.00 N ATOM 0 H GLN A 129 6.473 2.389 -0.548 1.00 0.00 H new ATOM 0 HA GLN A 129 5.387 -0.380 -0.661 1.00 0.00 H new ATOM 0 HB2 GLN A 129 8.030 0.418 -1.087 1.00 0.00 H new ATOM 0 HB3 GLN A 129 7.991 -0.062 0.598 1.00 0.00 H new ATOM 0 HG2 GLN A 129 6.820 -2.196 -0.066 1.00 0.00 H new ATOM 0 HG3 GLN A 129 6.947 -1.720 -1.747 1.00 0.00 H new ATOM 0 HE21 GLN A 129 8.100 -3.944 -1.712 1.00 0.00 H new ATOM 0 HE22 GLN A 129 9.845 -3.905 -1.438 1.00 0.00 H new ATOM 1873 N LEU A 130 4.776 -0.253 1.752 1.00 0.00 N ATOM 1874 CA LEU A 130 4.249 -0.116 3.096 1.00 0.00 C ATOM 1875 C LEU A 130 4.276 -1.431 3.762 1.00 0.00 C ATOM 1876 O LEU A 130 4.228 -2.494 3.144 1.00 0.00 O ATOM 1877 CB LEU A 130 2.767 0.311 3.095 1.00 0.00 C ATOM 1878 CG LEU A 130 2.449 1.772 2.757 1.00 0.00 C ATOM 1879 CD1 LEU A 130 0.931 1.894 2.662 1.00 0.00 C ATOM 1880 CD2 LEU A 130 3.014 2.735 3.804 1.00 0.00 C ATOM 0 H LEU A 130 4.432 -1.078 1.260 1.00 0.00 H new ATOM 0 HA LEU A 130 4.861 0.633 3.598 1.00 0.00 H new ATOM 0 HB2 LEU A 130 2.236 -0.322 2.384 1.00 0.00 H new ATOM 0 HB3 LEU A 130 2.355 0.097 4.081 1.00 0.00 H new ATOM 0 HG LEU A 130 2.918 2.046 1.812 1.00 0.00 H new ATOM 0 HD11 LEU A 130 0.663 2.923 2.422 1.00 0.00 H new ATOM 0 HD12 LEU A 130 0.561 1.231 1.880 1.00 0.00 H new ATOM 0 HD13 LEU A 130 0.483 1.616 3.616 1.00 0.00 H new ATOM 0 HD21 LEU A 130 2.767 3.760 3.527 1.00 0.00 H new ATOM 0 HD22 LEU A 130 2.581 2.508 4.778 1.00 0.00 H new ATOM 0 HD23 LEU A 130 4.097 2.624 3.853 1.00 0.00 H new ATOM 1892 N VAL A 131 4.356 -1.281 5.066 1.00 0.00 N ATOM 1893 CA VAL A 131 4.784 -2.313 5.908 1.00 0.00 C ATOM 1894 C VAL A 131 4.039 -2.172 7.221 1.00 0.00 C ATOM 1895 O VAL A 131 3.488 -1.121 7.559 1.00 0.00 O ATOM 1896 CB VAL A 131 6.295 -2.149 6.016 1.00 0.00 C ATOM 1897 CG1 VAL A 131 7.172 -2.297 4.755 1.00 0.00 C ATOM 1898 CG2 VAL A 131 6.652 -0.833 6.597 1.00 0.00 C ATOM 0 H VAL A 131 4.116 -0.417 5.552 1.00 0.00 H new ATOM 0 HA VAL A 131 4.575 -3.321 5.548 1.00 0.00 H new ATOM 0 HB VAL A 131 6.525 -3.012 6.641 1.00 0.00 H new ATOM 0 HG11 VAL A 131 8.219 -2.148 5.020 1.00 0.00 H new ATOM 0 HG12 VAL A 131 7.042 -3.295 4.336 1.00 0.00 H new ATOM 0 HG13 VAL A 131 6.876 -1.552 4.016 1.00 0.00 H new ATOM 0 HG21 VAL A 131 7.737 -0.746 6.661 1.00 0.00 H new ATOM 0 HG22 VAL A 131 6.261 -0.037 5.963 1.00 0.00 H new ATOM 0 HG23 VAL A 131 6.221 -0.747 7.595 1.00 0.00 H new ATOM 1908 N LEU A 132 4.044 -3.267 7.946 1.00 0.00 N ATOM 1909 CA LEU A 132 3.286 -3.473 9.158 1.00 0.00 C ATOM 1910 C LEU A 132 4.268 -3.485 10.316 1.00 0.00 C ATOM 1911 O LEU A 132 5.461 -3.236 10.149 1.00 0.00 O ATOM 1912 CB LEU A 132 2.468 -4.772 9.007 1.00 0.00 C ATOM 1913 CG LEU A 132 1.087 -4.584 8.354 1.00 0.00 C ATOM 1914 CD1 LEU A 132 1.133 -3.818 7.033 1.00 0.00 C ATOM 1915 CD2 LEU A 132 0.441 -5.948 8.131 1.00 0.00 C ATOM 0 H LEU A 132 4.606 -4.080 7.693 1.00 0.00 H new ATOM 0 HA LEU A 132 2.566 -2.679 9.354 1.00 0.00 H new ATOM 0 HB2 LEU A 132 3.043 -5.482 8.413 1.00 0.00 H new ATOM 0 HB3 LEU A 132 2.332 -5.218 9.992 1.00 0.00 H new ATOM 0 HG LEU A 132 0.496 -3.980 9.042 1.00 0.00 H new ATOM 0 HD11 LEU A 132 0.124 -3.724 6.632 1.00 0.00 H new ATOM 0 HD12 LEU A 132 1.550 -2.825 7.202 1.00 0.00 H new ATOM 0 HD13 LEU A 132 1.758 -4.357 6.321 1.00 0.00 H new ATOM 0 HD21 LEU A 132 -0.537 -5.816 7.669 1.00 0.00 H new ATOM 0 HD22 LEU A 132 1.074 -6.548 7.477 1.00 0.00 H new ATOM 0 HD23 LEU A 132 0.324 -6.456 9.088 1.00 0.00 H new ATOM 1927 N ASP A 133 3.746 -3.776 11.494 1.00 0.00 N ATOM 1928 CA ASP A 133 4.528 -4.023 12.705 1.00 0.00 C ATOM 1929 C ASP A 133 5.503 -5.190 12.529 1.00 0.00 C ATOM 1930 O ASP A 133 6.661 -5.069 12.930 1.00 0.00 O ATOM 1931 CB ASP A 133 3.599 -4.242 13.902 1.00 0.00 C ATOM 1932 CG ASP A 133 2.686 -5.448 13.697 1.00 0.00 C ATOM 1933 OD1 ASP A 133 1.686 -5.289 12.962 1.00 0.00 O ATOM 1934 OD2 ASP A 133 2.991 -6.534 14.236 1.00 0.00 O ATOM 0 H ASP A 133 2.740 -3.850 11.645 1.00 0.00 H new ATOM 0 HA ASP A 133 5.134 -3.138 12.899 1.00 0.00 H new ATOM 0 HB2 ASP A 133 4.195 -4.386 14.803 1.00 0.00 H new ATOM 0 HB3 ASP A 133 2.993 -3.350 14.060 1.00 0.00 H new ATOM 1939 N ASN A 134 5.087 -6.274 11.868 1.00 0.00 N ATOM 1940 CA ASN A 134 5.977 -7.370 11.490 1.00 0.00 C ATOM 1941 C ASN A 134 6.837 -6.991 10.281 1.00 0.00 C ATOM 1942 O ASN A 134 7.882 -7.593 10.039 1.00 0.00 O ATOM 1943 CB ASN A 134 5.169 -8.644 11.176 1.00 0.00 C ATOM 1944 CG ASN A 134 4.365 -8.576 9.876 1.00 0.00 C ATOM 1945 OD1 ASN A 134 3.936 -7.508 9.453 1.00 0.00 O ATOM 1946 ND2 ASN A 134 4.154 -9.696 9.210 1.00 0.00 N ATOM 0 H ASN A 134 4.119 -6.414 11.580 1.00 0.00 H new ATOM 0 HA ASN A 134 6.635 -7.567 12.336 1.00 0.00 H new ATOM 0 HB2 ASN A 134 5.854 -9.490 11.122 1.00 0.00 H new ATOM 0 HB3 ASN A 134 4.485 -8.839 12.002 1.00 0.00 H new ATOM 0 HD21 ASN A 134 3.630 -9.678 8.335 1.00 0.00 H new ATOM 0 HD22 ASN A 134 4.515 -10.579 9.570 1.00 0.00 H new ATOM 1953 N GLY A 135 6.405 -5.994 9.512 1.00 0.00 N ATOM 1954 CA GLY A 135 6.993 -5.612 8.252 1.00 0.00 C ATOM 1955 C GLY A 135 6.614 -6.549 7.116 1.00 0.00 C ATOM 1956 O GLY A 135 7.489 -6.950 6.350 1.00 0.00 O ATOM 0 H GLY A 135 5.605 -5.415 9.768 1.00 0.00 H new ATOM 0 HA2 GLY A 135 6.678 -4.599 8.002 1.00 0.00 H new ATOM 0 HA3 GLY A 135 8.078 -5.592 8.354 1.00 0.00 H new ATOM 1960 N ASP A 136 5.316 -6.815 6.930 1.00 0.00 N ATOM 1961 CA ASP A 136 4.751 -7.119 5.602 1.00 0.00 C ATOM 1962 C ASP A 136 5.199 -6.052 4.592 1.00 0.00 C ATOM 1963 O ASP A 136 5.847 -5.079 4.955 1.00 0.00 O ATOM 1964 CB ASP A 136 3.214 -7.199 5.646 1.00 0.00 C ATOM 1965 CG ASP A 136 2.652 -8.588 5.965 1.00 0.00 C ATOM 1966 OD1 ASP A 136 3.388 -9.424 6.542 1.00 0.00 O ATOM 1967 OD2 ASP A 136 1.482 -8.834 5.583 1.00 0.00 O ATOM 0 H ASP A 136 4.630 -6.827 7.685 1.00 0.00 H new ATOM 0 HA ASP A 136 5.123 -8.095 5.290 1.00 0.00 H new ATOM 0 HB2 ASP A 136 2.849 -6.494 6.393 1.00 0.00 H new ATOM 0 HB3 ASP A 136 2.820 -6.875 4.683 1.00 0.00 H new ATOM 1972 N THR A 137 4.948 -6.228 3.300 1.00 0.00 N ATOM 1973 CA THR A 137 5.614 -5.486 2.239 1.00 0.00 C ATOM 1974 C THR A 137 4.673 -5.346 1.038 1.00 0.00 C ATOM 1975 O THR A 137 4.597 -6.221 0.172 1.00 0.00 O ATOM 1976 CB THR A 137 6.951 -6.192 1.930 1.00 0.00 C ATOM 1977 OG1 THR A 137 7.807 -6.117 3.059 1.00 0.00 O ATOM 1978 CG2 THR A 137 7.673 -5.492 0.790 1.00 0.00 C ATOM 0 H THR A 137 4.264 -6.902 2.956 1.00 0.00 H new ATOM 0 HA THR A 137 5.853 -4.465 2.537 1.00 0.00 H new ATOM 0 HB THR A 137 6.725 -7.226 1.668 1.00 0.00 H new ATOM 0 HG1 THR A 137 8.654 -6.568 2.858 1.00 0.00 H new ATOM 0 HG21 THR A 137 8.614 -6.004 0.586 1.00 0.00 H new ATOM 0 HG22 THR A 137 7.048 -5.512 -0.103 1.00 0.00 H new ATOM 0 HG23 THR A 137 7.876 -4.458 1.068 1.00 0.00 H new ATOM 1986 N LEU A 138 3.917 -4.250 0.987 1.00 0.00 N ATOM 1987 CA LEU A 138 2.870 -4.031 -0.001 1.00 0.00 C ATOM 1988 C LEU A 138 3.388 -3.121 -1.114 1.00 0.00 C ATOM 1989 O LEU A 138 3.663 -1.948 -0.858 1.00 0.00 O ATOM 1990 CB LEU A 138 1.616 -3.445 0.663 1.00 0.00 C ATOM 1991 CG LEU A 138 0.842 -4.454 1.543 1.00 0.00 C ATOM 1992 CD1 LEU A 138 1.160 -4.296 3.035 1.00 0.00 C ATOM 1993 CD2 LEU A 138 -0.666 -4.293 1.326 1.00 0.00 C ATOM 0 H LEU A 138 4.020 -3.477 1.645 1.00 0.00 H new ATOM 0 HA LEU A 138 2.591 -4.987 -0.444 1.00 0.00 H new ATOM 0 HB2 LEU A 138 1.907 -2.592 1.276 1.00 0.00 H new ATOM 0 HB3 LEU A 138 0.949 -3.068 -0.112 1.00 0.00 H new ATOM 0 HG LEU A 138 1.162 -5.451 1.239 1.00 0.00 H new ATOM 0 HD11 LEU A 138 0.591 -5.028 3.608 1.00 0.00 H new ATOM 0 HD12 LEU A 138 2.226 -4.456 3.199 1.00 0.00 H new ATOM 0 HD13 LEU A 138 0.890 -3.291 3.360 1.00 0.00 H new ATOM 0 HD21 LEU A 138 -1.202 -5.008 1.950 1.00 0.00 H new ATOM 0 HD22 LEU A 138 -0.966 -3.280 1.595 1.00 0.00 H new ATOM 0 HD23 LEU A 138 -0.904 -4.476 0.278 1.00 0.00 H new ATOM 2005 N THR A 139 3.525 -3.640 -2.338 1.00 0.00 N ATOM 2006 CA THR A 139 3.868 -2.855 -3.522 1.00 0.00 C ATOM 2007 C THR A 139 2.613 -2.116 -3.961 1.00 0.00 C ATOM 2008 O THR A 139 1.583 -2.754 -4.205 1.00 0.00 O ATOM 2009 CB THR A 139 4.342 -3.769 -4.675 1.00 0.00 C ATOM 2010 OG1 THR A 139 5.607 -4.331 -4.378 1.00 0.00 O ATOM 2011 CG2 THR A 139 4.453 -3.083 -6.041 1.00 0.00 C ATOM 0 H THR A 139 3.398 -4.633 -2.534 1.00 0.00 H new ATOM 0 HA THR A 139 4.677 -2.165 -3.281 1.00 0.00 H new ATOM 0 HB THR A 139 3.563 -4.528 -4.751 1.00 0.00 H new ATOM 0 HG1 THR A 139 5.891 -4.908 -5.118 1.00 0.00 H new ATOM 0 HG21 THR A 139 4.792 -3.805 -6.784 1.00 0.00 H new ATOM 0 HG22 THR A 139 3.478 -2.693 -6.333 1.00 0.00 H new ATOM 0 HG23 THR A 139 5.168 -2.263 -5.979 1.00 0.00 H new ATOM 2019 N PHE A 140 2.723 -0.802 -4.145 1.00 0.00 N ATOM 2020 CA PHE A 140 1.729 -0.019 -4.855 1.00 0.00 C ATOM 2021 C PHE A 140 2.422 0.729 -5.998 1.00 0.00 C ATOM 2022 O PHE A 140 3.444 1.384 -5.777 1.00 0.00 O ATOM 2023 CB PHE A 140 1.058 0.996 -3.929 1.00 0.00 C ATOM 2024 CG PHE A 140 0.157 0.535 -2.800 1.00 0.00 C ATOM 2025 CD1 PHE A 140 0.679 -0.196 -1.717 1.00 0.00 C ATOM 2026 CD2 PHE A 140 -1.170 1.002 -2.737 1.00 0.00 C ATOM 2027 CE1 PHE A 140 -0.045 -0.307 -0.516 1.00 0.00 C ATOM 2028 CE2 PHE A 140 -1.922 0.788 -1.576 1.00 0.00 C ATOM 2029 CZ PHE A 140 -1.339 0.224 -0.440 1.00 0.00 C ATOM 0 H PHE A 140 3.511 -0.253 -3.802 1.00 0.00 H new ATOM 0 HA PHE A 140 0.962 -0.692 -5.238 1.00 0.00 H new ATOM 0 HB2 PHE A 140 1.851 1.596 -3.482 1.00 0.00 H new ATOM 0 HB3 PHE A 140 0.469 1.664 -4.558 1.00 0.00 H new ATOM 0 HD1 PHE A 140 1.642 -0.675 -1.808 1.00 0.00 H new ATOM 0 HD2 PHE A 140 -1.604 1.521 -3.578 1.00 0.00 H new ATOM 0 HE1 PHE A 140 0.393 -0.798 0.340 1.00 0.00 H new ATOM 0 HE2 PHE A 140 -2.966 1.063 -1.559 1.00 0.00 H new ATOM 0 HZ PHE A 140 -1.883 0.197 0.493 1.00 0.00 H new ATOM 2039 N ASP A 141 1.851 0.672 -7.199 1.00 0.00 N ATOM 2040 CA ASP A 141 2.273 1.442 -8.373 1.00 0.00 C ATOM 2041 C ASP A 141 1.619 2.822 -8.301 1.00 0.00 C ATOM 2042 O ASP A 141 0.436 2.912 -7.973 1.00 0.00 O ATOM 2043 CB ASP A 141 1.806 0.729 -9.655 1.00 0.00 C ATOM 2044 CG ASP A 141 2.779 -0.362 -10.108 1.00 0.00 C ATOM 2045 OD1 ASP A 141 3.962 -0.055 -10.401 1.00 0.00 O ATOM 2046 OD2 ASP A 141 2.374 -1.538 -10.178 1.00 0.00 O ATOM 0 H ASP A 141 1.052 0.067 -7.391 1.00 0.00 H new ATOM 0 HA ASP A 141 3.359 1.533 -8.389 1.00 0.00 H new ATOM 0 HB2 ASP A 141 0.824 0.287 -9.484 1.00 0.00 H new ATOM 0 HB3 ASP A 141 1.691 1.462 -10.453 1.00 0.00 H new ATOM 2051 N ARG A 142 2.334 3.914 -8.610 1.00 0.00 N ATOM 2052 CA ARG A 142 1.750 5.259 -8.706 1.00 0.00 C ATOM 2053 C ARG A 142 0.707 5.243 -9.824 1.00 0.00 C ATOM 2054 O ARG A 142 1.006 4.778 -10.928 1.00 0.00 O ATOM 2055 CB ARG A 142 2.893 6.262 -8.979 1.00 0.00 C ATOM 2056 CG ARG A 142 2.562 7.762 -9.086 1.00 0.00 C ATOM 2057 CD ARG A 142 2.286 8.492 -7.756 1.00 0.00 C ATOM 2058 NE ARG A 142 3.179 9.636 -7.471 1.00 0.00 N ATOM 2059 CZ ARG A 142 2.854 10.923 -7.229 1.00 0.00 C ATOM 2060 NH1 ARG A 142 1.631 11.403 -7.441 1.00 0.00 N ATOM 2061 NH2 ARG A 142 3.765 11.737 -6.706 1.00 0.00 N ATOM 0 H ARG A 142 3.336 3.889 -8.801 1.00 0.00 H new ATOM 0 HA ARG A 142 1.252 5.561 -7.785 1.00 0.00 H new ATOM 0 HB2 ARG A 142 3.631 6.144 -8.185 1.00 0.00 H new ATOM 0 HB3 ARG A 142 3.376 5.965 -9.910 1.00 0.00 H new ATOM 0 HG2 ARG A 142 3.392 8.262 -9.586 1.00 0.00 H new ATOM 0 HG3 ARG A 142 1.688 7.876 -9.728 1.00 0.00 H new ATOM 0 HD2 ARG A 142 1.256 8.848 -7.762 1.00 0.00 H new ATOM 0 HD3 ARG A 142 2.370 7.773 -6.941 1.00 0.00 H new ATOM 0 HE ARG A 142 4.176 9.423 -7.455 1.00 0.00 H new ATOM 0 HH11 ARG A 142 0.898 10.791 -7.800 1.00 0.00 H new ATOM 0 HH12 ARG A 142 1.427 12.383 -7.245 1.00 0.00 H new ATOM 0 HH21 ARG A 142 4.699 11.387 -6.492 1.00 0.00 H new ATOM 0 HH22 ARG A 142 3.530 12.712 -6.519 1.00 0.00 H new ATOM 2075 N SER A 143 -0.489 5.775 -9.567 1.00 0.00 N ATOM 2076 CA SER A 143 -1.509 6.005 -10.578 1.00 0.00 C ATOM 2077 C SER A 143 -2.194 7.334 -10.261 1.00 0.00 C ATOM 2078 O SER A 143 -3.359 7.410 -9.877 1.00 0.00 O ATOM 2079 CB SER A 143 -2.434 4.786 -10.719 1.00 0.00 C ATOM 2080 OG SER A 143 -2.837 4.614 -12.067 1.00 0.00 O ATOM 0 H SER A 143 -0.776 6.062 -8.631 1.00 0.00 H new ATOM 0 HA SER A 143 -1.080 6.106 -11.575 1.00 0.00 H new ATOM 0 HB2 SER A 143 -1.919 3.891 -10.372 1.00 0.00 H new ATOM 0 HB3 SER A 143 -3.312 4.915 -10.086 1.00 0.00 H new ATOM 0 HG SER A 143 -3.424 3.832 -12.136 1.00 0.00 H new ATOM 2086 N THR A 144 -1.431 8.409 -10.439 1.00 0.00 N ATOM 2087 CA THR A 144 -1.912 9.777 -10.622 1.00 0.00 C ATOM 2088 C THR A 144 -2.169 9.963 -12.136 1.00 0.00 C ATOM 2089 O THR A 144 -1.813 10.976 -12.742 1.00 0.00 O ATOM 2090 CB THR A 144 -0.866 10.719 -9.990 1.00 0.00 C ATOM 2091 OG1 THR A 144 -0.689 10.304 -8.640 1.00 0.00 O ATOM 2092 CG2 THR A 144 -1.231 12.205 -9.944 1.00 0.00 C ATOM 0 H THR A 144 -0.413 8.348 -10.461 1.00 0.00 H new ATOM 0 HA THR A 144 -2.854 10.007 -10.125 1.00 0.00 H new ATOM 0 HB THR A 144 0.017 10.642 -10.624 1.00 0.00 H new ATOM 0 HG1 THR A 144 -0.982 11.019 -8.037 1.00 0.00 H new ATOM 0 HG21 THR A 144 -0.420 12.765 -9.479 1.00 0.00 H new ATOM 0 HG22 THR A 144 -1.390 12.572 -10.958 1.00 0.00 H new ATOM 0 HG23 THR A 144 -2.143 12.338 -9.362 1.00 0.00 H new ATOM 2100 N ARG A 145 -2.701 8.907 -12.761 1.00 0.00 N ATOM 2101 CA ARG A 145 -3.170 8.705 -14.121 1.00 0.00 C ATOM 2102 C ARG A 145 -4.052 7.471 -14.055 1.00 0.00 C ATOM 2103 O ARG A 145 -4.726 7.186 -15.065 1.00 0.00 O ATOM 2104 CB ARG A 145 -2.029 8.409 -15.105 1.00 0.00 C ATOM 2105 CG ARG A 145 -1.074 9.583 -15.294 1.00 0.00 C ATOM 2106 CD ARG A 145 -0.257 9.414 -16.567 1.00 0.00 C ATOM 2107 NE ARG A 145 0.632 10.572 -16.756 1.00 0.00 N ATOM 2108 CZ ARG A 145 0.844 11.218 -17.903 1.00 0.00 C ATOM 2109 NH1 ARG A 145 0.339 10.752 -19.038 1.00 0.00 N ATOM 2110 NH2 ARG A 145 1.593 12.315 -17.930 1.00 0.00 N ATOM 0 H ARG A 145 -2.827 8.045 -12.231 1.00 0.00 H new ATOM 0 HA ARG A 145 -3.674 9.605 -14.473 1.00 0.00 H new ATOM 0 HB2 ARG A 145 -1.466 7.546 -14.749 1.00 0.00 H new ATOM 0 HB3 ARG A 145 -2.454 8.136 -16.071 1.00 0.00 H new ATOM 0 HG2 ARG A 145 -1.639 10.514 -15.340 1.00 0.00 H new ATOM 0 HG3 ARG A 145 -0.407 9.657 -14.435 1.00 0.00 H new ATOM 0 HD2 ARG A 145 0.332 8.499 -16.511 1.00 0.00 H new ATOM 0 HD3 ARG A 145 -0.922 9.313 -17.424 1.00 0.00 H new ATOM 0 HE ARG A 145 1.132 10.911 -15.934 1.00 0.00 H new ATOM 0 HH11 ARG A 145 -0.215 9.895 -19.036 1.00 0.00 H new ATOM 0 HH12 ARG A 145 0.504 11.250 -19.912 1.00 0.00 H new ATOM 0 HH21 ARG A 145 2.011 12.669 -17.069 1.00 0.00 H new ATOM 0 HH22 ARG A 145 1.750 12.803 -18.811 1.00 0.00 H new TER 2124 ARG A 145