USER MOD reduce.3.24.130724 H: found=0, std=0, add=1046, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 1046 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 11 GLN : amide:sc= -1.5 K(o=-1.2,f=-0.4) USER MOD Set 1.2: A 139 HIS : no HE2:sc= 0.292 K(o=-1.2,f=-2.4!) USER MOD Set 2.1: A 71 THR OG1 : rot 180:sc= 0.00306 USER MOD Set 2.2: A 80 SER OG : rot 23:sc= 0.262 USER MOD Set 3.1: A 52 CYS SG : rot 122:sc= -5.07! USER MOD Set 3.2: A 54 HIS : no HE2:sc= 0.666 K(o=-4.4,f=-13!) USER MOD Set 4.1: A 37 HIS : no HD1:sc= -0.0044 X(o=-0.0044,f=0.17) USER MOD Set 4.2: A 39 THR OG1 : rot 180:sc= 0 USER MOD Set 5.1: A 30 ASN : amide:sc= -2.05! K(o=-4.3!,f=-3.1) USER MOD Set 5.2: A 38 THR OG1 : rot 120:sc= 0.168 USER MOD Set 5.3: A 53 HIS : no HE2:sc= -2.4 K(o=-4.3,f=-4.8) USER MOD Set 6.1: A 4 SER OG : rot 81:sc= 0.563 USER MOD Set 6.2: A 105 THR OG1 : rot 180:sc= 0.505 USER MOD Single : A 1 MET CE :methyl 169:sc= 0 (180deg=-0.103) USER MOD Single : A 1 MET N :NH3+ 153:sc= 0.774 (180deg=0.288) USER MOD Single : A 2 LYS NZ :NH3+ 173:sc= 1.1 (180deg=0.966) USER MOD Single : A 8 HIS : no HD1:sc= -0.199 X(o=-0.2,f=-0.19) USER MOD Single : A 21 ASN : amide:sc= -2.06 X(o=-2.1,f=-1.6) USER MOD Single : A 25 CYS SG : rot -158:sc= 0.56 USER MOD Single : A 33 SER OG : rot 139:sc= 0.77 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 180:sc= -1.77! USER MOD Single : A 55 MET CE :methyl -163:sc= -0.241 (180deg=-0.644) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 SER OG : rot -29:sc= 0.313 USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 THR OG1 : rot 180:sc= -0.264 USER MOD Single : A 77 THR OG1 : rot 180:sc= 0.0468 USER MOD Single : A 83 MET CE :methyl -172:sc= -0.0192 (180deg=-0.213) USER MOD Single : A 92 GLN : amide:sc= 0.677 K(o=0.68,f=-3!) USER MOD Single : A 95 SER OG : rot 180:sc= -0.0262 USER MOD Single : A 100 THR OG1 : rot 75:sc= 0.827 USER MOD Single : A 103 GLN : amide:sc= 0.0769 K(o=0.077,f=-0.58) USER MOD Single : A 110 THR OG1 : rot 180:sc= 0 USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 112 HIS : no HD1:sc= -0.0392 X(o=-0.039,f=-0.0042) USER MOD Single : A 113 THR OG1 : rot 34:sc= 0.107 USER MOD Single : A 116 GLN : amide:sc= -0.0489 X(o=-0.049,f=-0.074) USER MOD Single : A 117 GLN : amide:sc= -2.67 K(o=-2.7,f=-5.3!) USER MOD Single : A 118 GLN : amide:sc= 0 X(o=0,f=-0.43) USER MOD Single : A 122 GLN : amide:sc= -2.4! C(o=-2.4!,f=-3.7!) USER MOD Single : A 127 ASN : amide:sc= 1.41 K(o=1.4,f=-7.1!) USER MOD Single : A 129 LYS NZ :NH3+ -134:sc= 0.212 (180deg=-0.133) USER MOD Single : A 131 TYR OH : rot 30:sc= -0.212 USER MOD Single : A 140 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 141 HIS : no HD1:sc= -0.108 X(o=-0.11,f=-0.44) USER MOD Single : A 142 HIS : no HD1:sc= -0.433 K(o=-0.43,f=0.1) USER MOD Single : A 143 HIS : no HE2:sc= 0.345 K(o=0.34,f=-1.6!) USER MOD Single : A 144 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 5.635 16.367 1.964 1.00 0.00 N ATOM 2 CA MET A 1 5.191 16.202 3.361 1.00 0.00 C ATOM 3 C MET A 1 4.929 14.719 3.634 1.00 0.00 C ATOM 4 O MET A 1 3.861 14.204 3.304 1.00 0.00 O ATOM 5 CB MET A 1 3.909 17.039 3.639 1.00 0.00 C ATOM 6 CG MET A 1 3.409 16.954 5.091 1.00 0.00 C ATOM 7 SD MET A 1 1.853 17.827 5.360 1.00 0.00 S ATOM 8 CE MET A 1 1.637 17.613 7.126 1.00 0.00 C ATOM 0 H1 MET A 1 5.383 17.319 1.630 1.00 0.00 H new ATOM 0 H2 MET A 1 6.666 16.243 1.910 1.00 0.00 H new ATOM 0 H3 MET A 1 5.169 15.656 1.365 1.00 0.00 H new ATOM 0 HA MET A 1 5.975 16.562 4.027 1.00 0.00 H new ATOM 0 HB2 MET A 1 4.109 18.082 3.395 1.00 0.00 H new ATOM 0 HB3 MET A 1 3.116 16.702 2.972 1.00 0.00 H new ATOM 0 HG2 MET A 1 3.282 15.906 5.364 1.00 0.00 H new ATOM 0 HG3 MET A 1 4.169 17.366 5.755 1.00 0.00 H new ATOM 0 HE1 MET A 1 0.829 18.257 7.474 1.00 0.00 H new ATOM 0 HE2 MET A 1 1.390 16.573 7.339 1.00 0.00 H new ATOM 0 HE3 MET A 1 2.561 17.879 7.640 1.00 0.00 H new ATOM 20 N LYS A 2 5.899 14.028 4.235 1.00 0.00 N ATOM 21 CA LYS A 2 5.785 12.591 4.505 1.00 0.00 C ATOM 22 C LYS A 2 5.137 12.358 5.876 1.00 0.00 C ATOM 23 O LYS A 2 5.760 12.622 6.914 1.00 0.00 O ATOM 24 CB LYS A 2 7.170 11.903 4.428 1.00 0.00 C ATOM 25 CG LYS A 2 7.785 11.909 3.015 1.00 0.00 C ATOM 26 CD LYS A 2 9.227 11.361 2.977 1.00 0.00 C ATOM 27 CE LYS A 2 9.792 11.316 1.550 1.00 0.00 C ATOM 28 NZ LYS A 2 9.726 12.640 0.871 1.00 0.00 N ATOM 0 H LYS A 2 6.778 14.442 4.546 1.00 0.00 H new ATOM 0 HA LYS A 2 5.148 12.146 3.740 1.00 0.00 H new ATOM 0 HB2 LYS A 2 7.853 12.403 5.114 1.00 0.00 H new ATOM 0 HB3 LYS A 2 7.074 10.872 4.769 1.00 0.00 H new ATOM 0 HG2 LYS A 2 7.159 11.313 2.351 1.00 0.00 H new ATOM 0 HG3 LYS A 2 7.780 12.928 2.628 1.00 0.00 H new ATOM 0 HD2 LYS A 2 9.868 11.985 3.600 1.00 0.00 H new ATOM 0 HD3 LYS A 2 9.245 10.359 3.405 1.00 0.00 H new ATOM 0 HE2 LYS A 2 10.828 10.979 1.583 1.00 0.00 H new ATOM 0 HE3 LYS A 2 9.237 10.583 0.965 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 10.224 12.588 -0.040 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 8.732 12.897 0.708 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 10.176 13.361 1.471 1.00 0.00 H new ATOM 42 N ILE A 3 3.879 11.884 5.869 1.00 0.00 N ATOM 43 CA ILE A 3 3.169 11.455 7.083 1.00 0.00 C ATOM 44 C ILE A 3 3.504 9.971 7.330 1.00 0.00 C ATOM 45 O ILE A 3 3.545 9.179 6.381 1.00 0.00 O ATOM 46 CB ILE A 3 1.606 11.650 6.957 1.00 0.00 C ATOM 47 CG1 ILE A 3 1.255 13.135 6.593 1.00 0.00 C ATOM 48 CG2 ILE A 3 0.873 11.198 8.259 1.00 0.00 C ATOM 49 CD1 ILE A 3 -0.226 13.406 6.382 1.00 0.00 C ATOM 0 H ILE A 3 3.326 11.788 5.018 1.00 0.00 H new ATOM 0 HA ILE A 3 3.494 12.071 7.921 1.00 0.00 H new ATOM 0 HB ILE A 3 1.254 11.014 6.145 1.00 0.00 H new ATOM 0 HG12 ILE A 3 1.619 13.785 7.388 1.00 0.00 H new ATOM 0 HG13 ILE A 3 1.793 13.409 5.686 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -0.201 11.344 8.142 1.00 0.00 H new ATOM 0 HG22 ILE A 3 1.077 10.143 8.444 1.00 0.00 H new ATOM 0 HG23 ILE A 3 1.230 11.790 9.102 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -0.372 14.458 6.135 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -0.597 12.786 5.565 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -0.773 13.169 7.294 1.00 0.00 H new ATOM 61 N SER A 4 3.756 9.607 8.593 1.00 0.00 N ATOM 62 CA SER A 4 4.137 8.250 8.988 1.00 0.00 C ATOM 63 C SER A 4 3.059 7.682 9.927 1.00 0.00 C ATOM 64 O SER A 4 2.824 8.214 11.019 1.00 0.00 O ATOM 65 CB SER A 4 5.516 8.278 9.675 1.00 0.00 C ATOM 66 OG SER A 4 5.974 6.974 9.951 1.00 0.00 O ATOM 0 H SER A 4 3.700 10.256 9.378 1.00 0.00 H new ATOM 0 HA SER A 4 4.211 7.607 8.111 1.00 0.00 H new ATOM 0 HB2 SER A 4 6.234 8.791 9.035 1.00 0.00 H new ATOM 0 HB3 SER A 4 5.452 8.848 10.602 1.00 0.00 H new ATOM 0 HG SER A 4 6.366 6.586 9.141 1.00 0.00 H new ATOM 72 N ILE A 5 2.395 6.616 9.466 1.00 0.00 N ATOM 73 CA ILE A 5 1.323 5.911 10.182 1.00 0.00 C ATOM 74 C ILE A 5 1.775 4.474 10.475 1.00 0.00 C ATOM 75 O ILE A 5 2.761 4.002 9.896 1.00 0.00 O ATOM 76 CB ILE A 5 -0.006 5.895 9.329 1.00 0.00 C ATOM 77 CG1 ILE A 5 0.211 5.146 7.968 1.00 0.00 C ATOM 78 CG2 ILE A 5 -0.531 7.335 9.098 1.00 0.00 C ATOM 79 CD1 ILE A 5 -1.004 5.044 7.069 1.00 0.00 C ATOM 0 H ILE A 5 2.595 6.206 8.554 1.00 0.00 H new ATOM 0 HA ILE A 5 1.119 6.433 11.117 1.00 0.00 H new ATOM 0 HB ILE A 5 -0.763 5.350 9.892 1.00 0.00 H new ATOM 0 HG12 ILE A 5 1.004 5.653 7.419 1.00 0.00 H new ATOM 0 HG13 ILE A 5 0.566 4.138 8.183 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -1.447 7.298 8.508 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -0.737 7.806 10.059 1.00 0.00 H new ATOM 0 HG23 ILE A 5 0.221 7.915 8.564 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -0.738 4.508 6.158 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -1.797 4.506 7.589 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -1.352 6.045 6.813 1.00 0.00 H new ATOM 91 N GLU A 6 1.049 3.783 11.360 1.00 0.00 N ATOM 92 CA GLU A 6 1.389 2.415 11.798 1.00 0.00 C ATOM 93 C GLU A 6 0.120 1.564 11.963 1.00 0.00 C ATOM 94 O GLU A 6 -0.985 2.103 12.060 1.00 0.00 O ATOM 95 CB GLU A 6 2.171 2.461 13.139 1.00 0.00 C ATOM 96 CG GLU A 6 1.405 3.118 14.313 1.00 0.00 C ATOM 97 CD GLU A 6 2.113 2.951 15.666 1.00 0.00 C ATOM 98 OE1 GLU A 6 3.012 3.750 15.990 1.00 0.00 O ATOM 99 OE2 GLU A 6 1.794 1.996 16.406 1.00 0.00 O ATOM 0 H GLU A 6 0.205 4.153 11.797 1.00 0.00 H new ATOM 0 HA GLU A 6 2.016 1.958 11.033 1.00 0.00 H new ATOM 0 HB2 GLU A 6 2.439 1.443 13.422 1.00 0.00 H new ATOM 0 HB3 GLU A 6 3.103 3.004 12.982 1.00 0.00 H new ATOM 0 HG2 GLU A 6 1.277 4.180 14.106 1.00 0.00 H new ATOM 0 HG3 GLU A 6 0.407 2.683 14.376 1.00 0.00 H new ATOM 106 N ALA A 7 0.301 0.232 12.011 1.00 0.00 N ATOM 107 CA ALA A 7 -0.787 -0.733 12.249 1.00 0.00 C ATOM 108 C ALA A 7 -0.210 -2.044 12.797 1.00 0.00 C ATOM 109 O ALA A 7 0.861 -2.471 12.373 1.00 0.00 O ATOM 110 CB ALA A 7 -1.582 -0.984 10.951 1.00 0.00 C ATOM 0 H ALA A 7 1.213 -0.208 11.885 1.00 0.00 H new ATOM 0 HA ALA A 7 -1.473 -0.318 12.988 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -2.381 -1.699 11.146 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -2.012 -0.046 10.601 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -0.915 -1.385 10.188 1.00 0.00 H new ATOM 116 N HIS A 8 -0.916 -2.677 13.745 1.00 0.00 N ATOM 117 CA HIS A 8 -0.498 -3.960 14.341 1.00 0.00 C ATOM 118 C HIS A 8 -1.414 -5.079 13.822 1.00 0.00 C ATOM 119 O HIS A 8 -2.454 -5.373 14.424 1.00 0.00 O ATOM 120 CB HIS A 8 -0.532 -3.882 15.887 1.00 0.00 C ATOM 121 CG HIS A 8 0.545 -3.027 16.496 1.00 0.00 C ATOM 122 ND1 HIS A 8 0.338 -1.751 16.980 1.00 0.00 N ATOM 123 CD2 HIS A 8 1.847 -3.296 16.724 1.00 0.00 C ATOM 124 CE1 HIS A 8 1.462 -1.282 17.473 1.00 0.00 C ATOM 125 NE2 HIS A 8 2.394 -2.193 17.331 1.00 0.00 N ATOM 0 H HIS A 8 -1.793 -2.317 14.122 1.00 0.00 H new ATOM 0 HA HIS A 8 0.529 -4.179 14.049 1.00 0.00 H new ATOM 0 HB2 HIS A 8 -1.503 -3.495 16.197 1.00 0.00 H new ATOM 0 HB3 HIS A 8 -0.448 -4.891 16.290 1.00 0.00 H new ATOM 0 HD2 HIS A 8 2.364 -4.211 16.475 1.00 0.00 H new ATOM 0 HE1 HIS A 8 1.596 -0.308 17.921 1.00 0.00 H new ATOM 0 HE2 HIS A 8 3.366 -2.098 17.624 1.00 0.00 H new ATOM 134 N ILE A 9 -1.048 -5.647 12.660 1.00 0.00 N ATOM 135 CA ILE A 9 -1.807 -6.730 12.012 1.00 0.00 C ATOM 136 C ILE A 9 -1.507 -8.056 12.735 1.00 0.00 C ATOM 137 O ILE A 9 -0.345 -8.408 12.864 1.00 0.00 O ATOM 138 CB ILE A 9 -1.434 -6.862 10.479 1.00 0.00 C ATOM 139 CG1 ILE A 9 -1.521 -5.467 9.770 1.00 0.00 C ATOM 140 CG2 ILE A 9 -2.334 -7.914 9.769 1.00 0.00 C ATOM 141 CD1 ILE A 9 -1.324 -5.485 8.268 1.00 0.00 C ATOM 0 H ILE A 9 -0.215 -5.367 12.142 1.00 0.00 H new ATOM 0 HA ILE A 9 -2.869 -6.495 12.078 1.00 0.00 H new ATOM 0 HB ILE A 9 -0.405 -7.214 10.409 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -2.496 -5.030 9.986 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -0.772 -4.808 10.209 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -2.054 -7.982 8.718 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -2.201 -8.886 10.244 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -3.378 -7.612 9.847 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -1.404 -4.470 7.878 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -0.338 -5.887 8.035 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -2.089 -6.111 7.808 1.00 0.00 H new ATOM 153 N GLU A 10 -2.542 -8.789 13.194 1.00 0.00 N ATOM 154 CA GLU A 10 -2.374 -10.074 13.926 1.00 0.00 C ATOM 155 C GLU A 10 -2.180 -11.252 12.934 1.00 0.00 C ATOM 156 O GLU A 10 -2.878 -12.275 12.979 1.00 0.00 O ATOM 157 CB GLU A 10 -3.574 -10.293 14.900 1.00 0.00 C ATOM 158 CG GLU A 10 -4.976 -10.325 14.252 1.00 0.00 C ATOM 159 CD GLU A 10 -6.097 -10.495 15.284 1.00 0.00 C ATOM 160 OE1 GLU A 10 -6.260 -11.612 15.820 1.00 0.00 O ATOM 161 OE2 GLU A 10 -6.810 -9.512 15.582 1.00 0.00 O ATOM 0 H GLU A 10 -3.516 -8.514 13.071 1.00 0.00 H new ATOM 0 HA GLU A 10 -1.469 -10.031 14.532 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -3.419 -11.233 15.430 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -3.559 -9.500 15.647 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -5.136 -9.402 13.695 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -5.022 -11.143 13.533 1.00 0.00 H new ATOM 168 N GLN A 11 -1.173 -11.104 12.072 1.00 0.00 N ATOM 169 CA GLN A 11 -0.872 -12.044 10.988 1.00 0.00 C ATOM 170 C GLN A 11 0.648 -12.068 10.764 1.00 0.00 C ATOM 171 O GLN A 11 1.340 -11.106 11.107 1.00 0.00 O ATOM 172 CB GLN A 11 -1.619 -11.614 9.698 1.00 0.00 C ATOM 173 CG GLN A 11 -1.529 -12.613 8.521 1.00 0.00 C ATOM 174 CD GLN A 11 -2.405 -13.858 8.676 1.00 0.00 C ATOM 175 OE1 GLN A 11 -3.447 -13.826 9.310 1.00 0.00 O ATOM 176 NE2 GLN A 11 -1.995 -14.967 8.088 1.00 0.00 N ATOM 0 H GLN A 11 -0.531 -10.313 12.107 1.00 0.00 H new ATOM 0 HA GLN A 11 -1.208 -13.047 11.252 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -2.670 -11.457 9.941 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -1.221 -10.654 9.370 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -1.810 -12.099 7.602 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -0.491 -12.926 8.406 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -1.121 -14.972 7.563 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -2.553 -15.818 8.159 1.00 0.00 H new ATOM 185 N GLU A 12 1.155 -13.178 10.190 1.00 0.00 N ATOM 186 CA GLU A 12 2.584 -13.373 9.883 1.00 0.00 C ATOM 187 C GLU A 12 3.053 -12.382 8.804 1.00 0.00 C ATOM 188 O GLU A 12 2.291 -12.088 7.886 1.00 0.00 O ATOM 189 CB GLU A 12 2.807 -14.824 9.384 1.00 0.00 C ATOM 190 CG GLU A 12 2.444 -15.924 10.399 1.00 0.00 C ATOM 191 CD GLU A 12 3.287 -15.856 11.688 1.00 0.00 C ATOM 192 OE1 GLU A 12 4.495 -16.172 11.636 1.00 0.00 O ATOM 193 OE2 GLU A 12 2.750 -15.483 12.755 1.00 0.00 O ATOM 0 H GLU A 12 0.575 -13.974 9.924 1.00 0.00 H new ATOM 0 HA GLU A 12 3.163 -13.196 10.789 1.00 0.00 H new ATOM 0 HB2 GLU A 12 2.218 -14.976 8.480 1.00 0.00 H new ATOM 0 HB3 GLU A 12 3.854 -14.939 9.105 1.00 0.00 H new ATOM 0 HG2 GLU A 12 1.388 -15.839 10.657 1.00 0.00 H new ATOM 0 HG3 GLU A 12 2.581 -16.900 9.933 1.00 0.00 H new ATOM 200 N ILE A 13 4.323 -11.920 8.909 1.00 0.00 N ATOM 201 CA ILE A 13 4.930 -10.936 7.973 1.00 0.00 C ATOM 202 C ILE A 13 4.892 -11.440 6.523 1.00 0.00 C ATOM 203 O ILE A 13 4.695 -10.659 5.599 1.00 0.00 O ATOM 204 CB ILE A 13 6.419 -10.584 8.372 1.00 0.00 C ATOM 205 CG1 ILE A 13 7.026 -9.502 7.413 1.00 0.00 C ATOM 206 CG2 ILE A 13 7.312 -11.858 8.425 1.00 0.00 C ATOM 207 CD1 ILE A 13 8.440 -9.084 7.744 1.00 0.00 C ATOM 0 H ILE A 13 4.959 -12.219 9.648 1.00 0.00 H new ATOM 0 HA ILE A 13 4.329 -10.030 8.047 1.00 0.00 H new ATOM 0 HB ILE A 13 6.396 -10.159 9.376 1.00 0.00 H new ATOM 0 HG12 ILE A 13 7.005 -9.887 6.394 1.00 0.00 H new ATOM 0 HG13 ILE A 13 6.387 -8.619 7.433 1.00 0.00 H new ATOM 0 HG21 ILE A 13 8.328 -11.579 8.702 1.00 0.00 H new ATOM 0 HG22 ILE A 13 6.912 -12.552 9.164 1.00 0.00 H new ATOM 0 HG23 ILE A 13 7.322 -12.337 7.446 1.00 0.00 H new ATOM 0 HD11 ILE A 13 8.775 -8.334 7.028 1.00 0.00 H new ATOM 0 HD12 ILE A 13 8.469 -8.664 8.750 1.00 0.00 H new ATOM 0 HD13 ILE A 13 9.097 -9.952 7.694 1.00 0.00 H new ATOM 219 N GLU A 14 5.060 -12.761 6.368 1.00 0.00 N ATOM 220 CA GLU A 14 5.063 -13.438 5.065 1.00 0.00 C ATOM 221 C GLU A 14 3.691 -13.307 4.386 1.00 0.00 C ATOM 222 O GLU A 14 3.603 -13.036 3.189 1.00 0.00 O ATOM 223 CB GLU A 14 5.431 -14.922 5.278 1.00 0.00 C ATOM 224 CG GLU A 14 6.792 -15.138 5.968 1.00 0.00 C ATOM 225 CD GLU A 14 7.072 -16.617 6.280 1.00 0.00 C ATOM 226 OE1 GLU A 14 7.482 -17.357 5.363 1.00 0.00 O ATOM 227 OE2 GLU A 14 6.884 -17.043 7.437 1.00 0.00 O ATOM 0 H GLU A 14 5.199 -13.396 7.154 1.00 0.00 H new ATOM 0 HA GLU A 14 5.800 -12.972 4.410 1.00 0.00 H new ATOM 0 HB2 GLU A 14 4.653 -15.396 5.876 1.00 0.00 H new ATOM 0 HB3 GLU A 14 5.441 -15.425 4.311 1.00 0.00 H new ATOM 0 HG2 GLU A 14 7.585 -14.750 5.328 1.00 0.00 H new ATOM 0 HG3 GLU A 14 6.820 -14.564 6.894 1.00 0.00 H new ATOM 234 N ALA A 15 2.632 -13.484 5.185 1.00 0.00 N ATOM 235 CA ALA A 15 1.235 -13.437 4.718 1.00 0.00 C ATOM 236 C ALA A 15 0.772 -11.994 4.450 1.00 0.00 C ATOM 237 O ALA A 15 0.038 -11.735 3.489 1.00 0.00 O ATOM 238 CB ALA A 15 0.342 -14.101 5.758 1.00 0.00 C ATOM 0 H ALA A 15 2.718 -13.666 6.185 1.00 0.00 H new ATOM 0 HA ALA A 15 1.165 -13.975 3.773 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -0.694 -14.071 5.421 1.00 0.00 H new ATOM 0 HB2 ALA A 15 0.650 -15.138 5.893 1.00 0.00 H new ATOM 0 HB3 ALA A 15 0.431 -13.570 6.706 1.00 0.00 H new ATOM 244 N VAL A 16 1.201 -11.075 5.329 1.00 0.00 N ATOM 245 CA VAL A 16 0.960 -9.626 5.177 1.00 0.00 C ATOM 246 C VAL A 16 1.616 -9.128 3.871 1.00 0.00 C ATOM 247 O VAL A 16 0.993 -8.414 3.081 1.00 0.00 O ATOM 248 CB VAL A 16 1.505 -8.832 6.432 1.00 0.00 C ATOM 249 CG1 VAL A 16 1.405 -7.301 6.250 1.00 0.00 C ATOM 250 CG2 VAL A 16 0.776 -9.279 7.725 1.00 0.00 C ATOM 0 H VAL A 16 1.727 -11.314 6.170 1.00 0.00 H new ATOM 0 HA VAL A 16 -0.113 -9.446 5.119 1.00 0.00 H new ATOM 0 HB VAL A 16 2.564 -9.074 6.525 1.00 0.00 H new ATOM 0 HG11 VAL A 16 1.792 -6.803 7.139 1.00 0.00 H new ATOM 0 HG12 VAL A 16 1.990 -6.999 5.381 1.00 0.00 H new ATOM 0 HG13 VAL A 16 0.363 -7.020 6.101 1.00 0.00 H new ATOM 0 HG21 VAL A 16 1.167 -8.720 8.575 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -0.292 -9.087 7.625 1.00 0.00 H new ATOM 0 HG23 VAL A 16 0.940 -10.345 7.885 1.00 0.00 H new ATOM 260 N TRP A 17 2.865 -9.581 3.648 1.00 0.00 N ATOM 261 CA TRP A 17 3.621 -9.302 2.421 1.00 0.00 C ATOM 262 C TRP A 17 2.902 -9.907 1.208 1.00 0.00 C ATOM 263 O TRP A 17 2.772 -9.247 0.198 1.00 0.00 O ATOM 264 CB TRP A 17 5.064 -9.861 2.521 1.00 0.00 C ATOM 265 CG TRP A 17 5.920 -9.621 1.287 1.00 0.00 C ATOM 266 CD1 TRP A 17 6.089 -10.459 0.214 1.00 0.00 C ATOM 267 CD2 TRP A 17 6.719 -8.463 1.006 1.00 0.00 C ATOM 268 NE1 TRP A 17 6.930 -9.889 -0.703 1.00 0.00 N ATOM 269 CE2 TRP A 17 7.335 -8.670 -0.239 1.00 0.00 C ATOM 270 CE3 TRP A 17 6.973 -7.276 1.690 1.00 0.00 C ATOM 271 CZ2 TRP A 17 8.185 -7.735 -0.812 1.00 0.00 C ATOM 272 CZ3 TRP A 17 7.821 -6.351 1.122 1.00 0.00 C ATOM 273 CH2 TRP A 17 8.420 -6.583 -0.120 1.00 0.00 C ATOM 0 H TRP A 17 3.376 -10.153 4.320 1.00 0.00 H new ATOM 0 HA TRP A 17 3.682 -8.221 2.295 1.00 0.00 H new ATOM 0 HB2 TRP A 17 5.556 -9.410 3.382 1.00 0.00 H new ATOM 0 HB3 TRP A 17 5.013 -10.933 2.709 1.00 0.00 H new ATOM 0 HD1 TRP A 17 5.625 -11.429 0.108 1.00 0.00 H new ATOM 0 HE1 TRP A 17 7.209 -10.307 -1.590 1.00 0.00 H new ATOM 0 HE3 TRP A 17 6.513 -7.085 2.648 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 8.645 -7.913 -1.773 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 8.027 -5.429 1.646 1.00 0.00 H new ATOM 0 HH2 TRP A 17 9.080 -5.838 -0.539 1.00 0.00 H new ATOM 284 N TRP A 18 2.434 -11.159 1.352 1.00 0.00 N ATOM 285 CA TRP A 18 1.794 -11.934 0.266 1.00 0.00 C ATOM 286 C TRP A 18 0.558 -11.197 -0.296 1.00 0.00 C ATOM 287 O TRP A 18 0.402 -11.083 -1.512 1.00 0.00 O ATOM 288 CB TRP A 18 1.413 -13.342 0.790 1.00 0.00 C ATOM 289 CG TRP A 18 0.731 -14.247 -0.224 1.00 0.00 C ATOM 290 CD1 TRP A 18 1.332 -15.054 -1.160 1.00 0.00 C ATOM 291 CD2 TRP A 18 -0.685 -14.438 -0.389 1.00 0.00 C ATOM 292 NE1 TRP A 18 0.378 -15.716 -1.893 1.00 0.00 N ATOM 293 CE2 TRP A 18 -0.866 -15.360 -1.437 1.00 0.00 C ATOM 294 CE3 TRP A 18 -1.815 -13.914 0.249 1.00 0.00 C ATOM 295 CZ2 TRP A 18 -2.123 -15.769 -1.858 1.00 0.00 C ATOM 296 CZ3 TRP A 18 -3.065 -14.322 -0.170 1.00 0.00 C ATOM 297 CH2 TRP A 18 -3.211 -15.244 -1.215 1.00 0.00 C ATOM 0 H TRP A 18 2.488 -11.670 2.233 1.00 0.00 H new ATOM 0 HA TRP A 18 2.504 -12.041 -0.554 1.00 0.00 H new ATOM 0 HB2 TRP A 18 2.317 -13.837 1.145 1.00 0.00 H new ATOM 0 HB3 TRP A 18 0.754 -13.226 1.651 1.00 0.00 H new ATOM 0 HD1 TRP A 18 2.398 -15.153 -1.299 1.00 0.00 H new ATOM 0 HE1 TRP A 18 0.564 -16.368 -2.655 1.00 0.00 H new ATOM 0 HE3 TRP A 18 -1.711 -13.203 1.055 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 -2.239 -16.477 -2.665 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 -3.944 -13.925 0.315 1.00 0.00 H new ATOM 0 HH2 TRP A 18 -4.202 -15.546 -1.519 1.00 0.00 H new ATOM 308 N ALA A 19 -0.303 -10.709 0.611 1.00 0.00 N ATOM 309 CA ALA A 19 -1.516 -9.942 0.255 1.00 0.00 C ATOM 310 C ALA A 19 -1.161 -8.554 -0.332 1.00 0.00 C ATOM 311 O ALA A 19 -1.898 -8.017 -1.169 1.00 0.00 O ATOM 312 CB ALA A 19 -2.424 -9.814 1.491 1.00 0.00 C ATOM 0 H ALA A 19 -0.181 -10.834 1.616 1.00 0.00 H new ATOM 0 HA ALA A 19 -2.054 -10.482 -0.524 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -3.318 -9.249 1.229 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -2.711 -10.807 1.836 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -1.887 -9.295 2.285 1.00 0.00 H new ATOM 318 N TRP A 20 -0.024 -7.992 0.123 1.00 0.00 N ATOM 319 CA TRP A 20 0.500 -6.695 -0.368 1.00 0.00 C ATOM 320 C TRP A 20 1.274 -6.873 -1.705 1.00 0.00 C ATOM 321 O TRP A 20 1.481 -5.905 -2.447 1.00 0.00 O ATOM 322 CB TRP A 20 1.417 -6.079 0.729 1.00 0.00 C ATOM 323 CG TRP A 20 1.863 -4.650 0.466 1.00 0.00 C ATOM 324 CD1 TRP A 20 3.025 -4.239 -0.139 1.00 0.00 C ATOM 325 CD2 TRP A 20 1.156 -3.446 0.812 1.00 0.00 C ATOM 326 NE1 TRP A 20 3.060 -2.868 -0.211 1.00 0.00 N ATOM 327 CE2 TRP A 20 1.929 -2.362 0.372 1.00 0.00 C ATOM 328 CE3 TRP A 20 -0.061 -3.184 1.447 1.00 0.00 C ATOM 329 CZ2 TRP A 20 1.527 -1.040 0.541 1.00 0.00 C ATOM 330 CZ3 TRP A 20 -0.459 -1.871 1.621 1.00 0.00 C ATOM 331 CH2 TRP A 20 0.334 -0.811 1.168 1.00 0.00 C ATOM 0 H TRP A 20 0.559 -8.421 0.841 1.00 0.00 H new ATOM 0 HA TRP A 20 -0.333 -6.021 -0.568 1.00 0.00 H new ATOM 0 HB2 TRP A 20 0.889 -6.109 1.682 1.00 0.00 H new ATOM 0 HB3 TRP A 20 2.302 -6.706 0.835 1.00 0.00 H new ATOM 0 HD1 TRP A 20 3.799 -4.898 -0.505 1.00 0.00 H new ATOM 0 HE1 TRP A 20 3.808 -2.316 -0.631 1.00 0.00 H new ATOM 0 HE3 TRP A 20 -0.682 -3.995 1.797 1.00 0.00 H new ATOM 0 HZ2 TRP A 20 2.138 -0.222 0.188 1.00 0.00 H new ATOM 0 HZ3 TRP A 20 -1.396 -1.661 2.114 1.00 0.00 H new ATOM 0 HH2 TRP A 20 -0.002 0.205 1.316 1.00 0.00 H new ATOM 342 N ASN A 21 1.693 -8.117 -1.994 1.00 0.00 N ATOM 343 CA ASN A 21 2.560 -8.439 -3.148 1.00 0.00 C ATOM 344 C ASN A 21 1.702 -8.881 -4.344 1.00 0.00 C ATOM 345 O ASN A 21 1.937 -8.449 -5.479 1.00 0.00 O ATOM 346 CB ASN A 21 3.527 -9.601 -2.744 1.00 0.00 C ATOM 347 CG ASN A 21 4.706 -9.920 -3.693 1.00 0.00 C ATOM 348 OD1 ASN A 21 5.682 -10.539 -3.269 1.00 0.00 O ATOM 349 ND2 ASN A 21 4.689 -9.482 -4.946 1.00 0.00 N ATOM 0 H ASN A 21 1.441 -8.932 -1.434 1.00 0.00 H new ATOM 0 HA ASN A 21 3.132 -7.556 -3.431 1.00 0.00 H new ATOM 0 HB2 ASN A 21 3.940 -9.367 -1.763 1.00 0.00 H new ATOM 0 HB3 ASN A 21 2.933 -10.508 -2.631 1.00 0.00 H new ATOM 0 HD21 ASN A 21 5.485 -9.658 -5.559 1.00 0.00 H new ATOM 0 HD22 ASN A 21 3.880 -8.969 -5.296 1.00 0.00 H new ATOM 356 N ASP A 22 0.664 -9.682 -4.052 1.00 0.00 N ATOM 357 CA ASP A 22 -0.125 -10.379 -5.085 1.00 0.00 C ATOM 358 C ASP A 22 -1.108 -9.392 -5.728 1.00 0.00 C ATOM 359 O ASP A 22 -2.036 -8.971 -5.050 1.00 0.00 O ATOM 360 CB ASP A 22 -0.884 -11.590 -4.473 1.00 0.00 C ATOM 361 CG ASP A 22 -1.514 -12.507 -5.536 1.00 0.00 C ATOM 362 OD1 ASP A 22 -2.584 -12.171 -6.062 1.00 0.00 O ATOM 363 OD2 ASP A 22 -0.931 -13.555 -5.865 1.00 0.00 O ATOM 0 H ASP A 22 0.348 -9.865 -3.099 1.00 0.00 H new ATOM 0 HA ASP A 22 0.549 -10.762 -5.851 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -0.194 -12.172 -3.862 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -1.666 -11.223 -3.809 1.00 0.00 H new ATOM 368 N PRO A 23 -0.941 -9.028 -7.052 1.00 0.00 N ATOM 369 CA PRO A 23 -1.762 -7.979 -7.709 1.00 0.00 C ATOM 370 C PRO A 23 -3.253 -8.363 -7.818 1.00 0.00 C ATOM 371 O PRO A 23 -4.114 -7.487 -7.897 1.00 0.00 O ATOM 372 CB PRO A 23 -1.105 -7.831 -9.109 1.00 0.00 C ATOM 373 CG PRO A 23 -0.459 -9.157 -9.359 1.00 0.00 C ATOM 374 CD PRO A 23 0.033 -9.623 -8.009 1.00 0.00 C ATOM 0 HA PRO A 23 -1.772 -7.051 -7.137 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -1.847 -7.600 -9.874 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -0.373 -7.024 -9.121 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -1.169 -9.866 -9.785 1.00 0.00 H new ATOM 0 HG3 PRO A 23 0.364 -9.066 -10.067 1.00 0.00 H new ATOM 0 HD2 PRO A 23 0.047 -10.711 -7.942 1.00 0.00 H new ATOM 0 HD3 PRO A 23 1.048 -9.279 -7.812 1.00 0.00 H new ATOM 382 N ASP A 24 -3.535 -9.677 -7.820 1.00 0.00 N ATOM 383 CA ASP A 24 -4.905 -10.219 -7.902 1.00 0.00 C ATOM 384 C ASP A 24 -5.608 -10.089 -6.537 1.00 0.00 C ATOM 385 O ASP A 24 -6.810 -9.814 -6.476 1.00 0.00 O ATOM 386 CB ASP A 24 -4.843 -11.693 -8.385 1.00 0.00 C ATOM 387 CG ASP A 24 -6.220 -12.353 -8.543 1.00 0.00 C ATOM 388 OD1 ASP A 24 -6.895 -12.103 -9.555 1.00 0.00 O ATOM 389 OD2 ASP A 24 -6.643 -13.113 -7.646 1.00 0.00 O ATOM 0 H ASP A 24 -2.816 -10.398 -7.765 1.00 0.00 H new ATOM 0 HA ASP A 24 -5.491 -9.649 -8.623 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -4.321 -11.730 -9.341 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -4.252 -12.273 -7.676 1.00 0.00 H new ATOM 394 N CYS A 25 -4.831 -10.284 -5.454 1.00 0.00 N ATOM 395 CA CYS A 25 -5.306 -10.081 -4.069 1.00 0.00 C ATOM 396 C CYS A 25 -5.489 -8.586 -3.778 1.00 0.00 C ATOM 397 O CYS A 25 -6.471 -8.195 -3.144 1.00 0.00 O ATOM 398 CB CYS A 25 -4.332 -10.713 -3.046 1.00 0.00 C ATOM 399 SG CYS A 25 -4.190 -12.508 -3.194 1.00 0.00 S ATOM 0 H CYS A 25 -3.858 -10.586 -5.513 1.00 0.00 H new ATOM 0 HA CYS A 25 -6.271 -10.579 -3.969 1.00 0.00 H new ATOM 0 HB2 CYS A 25 -3.345 -10.267 -3.173 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -4.666 -10.465 -2.038 1.00 0.00 H new ATOM 0 HG CYS A 25 -3.766 -13.004 -2.070 1.00 0.00 H new ATOM 405 N ILE A 26 -4.536 -7.762 -4.269 1.00 0.00 N ATOM 406 CA ILE A 26 -4.585 -6.295 -4.156 1.00 0.00 C ATOM 407 C ILE A 26 -5.832 -5.763 -4.857 1.00 0.00 C ATOM 408 O ILE A 26 -6.518 -4.910 -4.322 1.00 0.00 O ATOM 409 CB ILE A 26 -3.314 -5.599 -4.770 1.00 0.00 C ATOM 410 CG1 ILE A 26 -2.011 -6.024 -4.025 1.00 0.00 C ATOM 411 CG2 ILE A 26 -3.463 -4.052 -4.759 1.00 0.00 C ATOM 412 CD1 ILE A 26 -0.732 -5.561 -4.702 1.00 0.00 C ATOM 0 H ILE A 26 -3.708 -8.103 -4.757 1.00 0.00 H new ATOM 0 HA ILE A 26 -4.612 -6.059 -3.092 1.00 0.00 H new ATOM 0 HB ILE A 26 -3.233 -5.931 -5.805 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -2.038 -5.625 -3.011 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -1.992 -7.110 -3.939 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -2.570 -3.597 -5.189 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -4.335 -3.766 -5.347 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -3.588 -3.706 -3.733 1.00 0.00 H new ATOM 0 HD11 ILE A 26 0.128 -5.896 -4.123 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -0.679 -5.981 -5.706 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -0.726 -4.473 -4.763 1.00 0.00 H new ATOM 424 N ALA A 27 -6.137 -6.322 -6.037 1.00 0.00 N ATOM 425 CA ALA A 27 -7.301 -5.916 -6.842 1.00 0.00 C ATOM 426 C ALA A 27 -8.623 -6.059 -6.059 1.00 0.00 C ATOM 427 O ALA A 27 -9.568 -5.312 -6.297 1.00 0.00 O ATOM 428 CB ALA A 27 -7.348 -6.739 -8.136 1.00 0.00 C ATOM 0 H ALA A 27 -5.585 -7.068 -6.461 1.00 0.00 H new ATOM 0 HA ALA A 27 -7.188 -4.860 -7.088 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -8.211 -6.436 -8.729 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -6.436 -6.569 -8.709 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -7.430 -7.798 -7.891 1.00 0.00 H new ATOM 434 N ARG A 28 -8.649 -7.009 -5.101 1.00 0.00 N ATOM 435 CA ARG A 28 -9.833 -7.296 -4.257 1.00 0.00 C ATOM 436 C ARG A 28 -10.077 -6.199 -3.179 1.00 0.00 C ATOM 437 O ARG A 28 -11.168 -6.135 -2.609 1.00 0.00 O ATOM 438 CB ARG A 28 -9.674 -8.684 -3.583 1.00 0.00 C ATOM 439 CG ARG A 28 -9.381 -9.844 -4.569 1.00 0.00 C ATOM 440 CD ARG A 28 -9.109 -11.188 -3.874 1.00 0.00 C ATOM 441 NE ARG A 28 -8.598 -12.223 -4.796 1.00 0.00 N ATOM 442 CZ ARG A 28 -8.384 -13.510 -4.462 1.00 0.00 C ATOM 443 NH1 ARG A 28 -8.615 -13.948 -3.229 1.00 0.00 N ATOM 444 NH2 ARG A 28 -7.923 -14.352 -5.368 1.00 0.00 N ATOM 0 H ARG A 28 -7.847 -7.602 -4.889 1.00 0.00 H new ATOM 0 HA ARG A 28 -10.706 -7.300 -4.910 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -8.866 -8.630 -2.854 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -10.586 -8.913 -3.032 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -10.229 -9.959 -5.244 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -8.519 -9.580 -5.182 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -8.387 -11.036 -3.072 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -10.029 -11.544 -3.411 1.00 0.00 H new ATOM 0 HE ARG A 28 -8.392 -11.943 -5.755 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -8.961 -13.306 -2.516 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -8.447 -14.927 -2.996 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -7.731 -14.027 -6.315 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -7.759 -15.328 -5.121 1.00 0.00 H new ATOM 458 N TRP A 29 -9.061 -5.348 -2.892 1.00 0.00 N ATOM 459 CA TRP A 29 -9.208 -4.196 -1.956 1.00 0.00 C ATOM 460 C TRP A 29 -8.632 -2.891 -2.602 1.00 0.00 C ATOM 461 O TRP A 29 -9.396 -1.989 -2.942 1.00 0.00 O ATOM 462 CB TRP A 29 -8.584 -4.513 -0.545 1.00 0.00 C ATOM 463 CG TRP A 29 -7.144 -4.991 -0.580 1.00 0.00 C ATOM 464 CD1 TRP A 29 -6.709 -6.261 -0.838 1.00 0.00 C ATOM 465 CD2 TRP A 29 -5.955 -4.203 -0.369 1.00 0.00 C ATOM 466 NE1 TRP A 29 -5.341 -6.297 -0.848 1.00 0.00 N ATOM 467 CE2 TRP A 29 -4.856 -5.054 -0.558 1.00 0.00 C ATOM 468 CE3 TRP A 29 -5.721 -2.859 -0.061 1.00 0.00 C ATOM 469 CZ2 TRP A 29 -3.542 -4.611 -0.454 1.00 0.00 C ATOM 470 CZ3 TRP A 29 -4.417 -2.419 0.047 1.00 0.00 C ATOM 471 CH2 TRP A 29 -3.342 -3.291 -0.152 1.00 0.00 C ATOM 0 H TRP A 29 -8.128 -5.435 -3.294 1.00 0.00 H new ATOM 0 HA TRP A 29 -10.270 -4.023 -1.779 1.00 0.00 H new ATOM 0 HB2 TRP A 29 -8.640 -3.616 0.071 1.00 0.00 H new ATOM 0 HB3 TRP A 29 -9.193 -5.274 -0.056 1.00 0.00 H new ATOM 0 HD1 TRP A 29 -7.351 -7.112 -1.009 1.00 0.00 H new ATOM 0 HE1 TRP A 29 -4.773 -7.122 -1.042 1.00 0.00 H new ATOM 0 HE3 TRP A 29 -6.545 -2.178 0.090 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 -2.710 -5.283 -0.606 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 -4.224 -1.384 0.289 1.00 0.00 H new ATOM 0 HH2 TRP A 29 -2.333 -2.915 -0.066 1.00 0.00 H new ATOM 482 N ASN A 30 -7.301 -2.869 -2.828 1.00 0.00 N ATOM 483 CA ASN A 30 -6.500 -1.738 -3.384 1.00 0.00 C ATOM 484 C ASN A 30 -6.833 -0.360 -2.755 1.00 0.00 C ATOM 485 O ASN A 30 -6.071 0.153 -1.937 1.00 0.00 O ATOM 486 CB ASN A 30 -6.598 -1.693 -4.933 1.00 0.00 C ATOM 487 CG ASN A 30 -5.608 -0.723 -5.585 1.00 0.00 C ATOM 488 OD1 ASN A 30 -4.488 -0.526 -5.109 1.00 0.00 O ATOM 489 ND2 ASN A 30 -6.001 -0.131 -6.695 1.00 0.00 N ATOM 0 H ASN A 30 -6.718 -3.679 -2.619 1.00 0.00 H new ATOM 0 HA ASN A 30 -5.466 -1.941 -3.105 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -6.426 -2.694 -5.328 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -7.611 -1.409 -5.216 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -5.373 0.508 -7.182 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -6.933 -0.312 -7.067 1.00 0.00 H new ATOM 496 N ALA A 31 -7.975 0.225 -3.175 1.00 0.00 N ATOM 497 CA ALA A 31 -8.511 1.484 -2.632 1.00 0.00 C ATOM 498 C ALA A 31 -8.994 1.308 -1.171 1.00 0.00 C ATOM 499 O ALA A 31 -8.953 0.204 -0.610 1.00 0.00 O ATOM 500 CB ALA A 31 -9.667 1.970 -3.530 1.00 0.00 C ATOM 0 H ALA A 31 -8.557 -0.173 -3.912 1.00 0.00 H new ATOM 0 HA ALA A 31 -7.716 2.230 -2.623 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -10.069 2.902 -3.133 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -9.297 2.136 -4.542 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -10.454 1.216 -3.550 1.00 0.00 H new ATOM 506 N ALA A 32 -9.464 2.410 -0.570 1.00 0.00 N ATOM 507 CA ALA A 32 -10.050 2.405 0.787 1.00 0.00 C ATOM 508 C ALA A 32 -11.588 2.233 0.746 1.00 0.00 C ATOM 509 O ALA A 32 -12.238 2.232 1.803 1.00 0.00 O ATOM 510 CB ALA A 32 -9.679 3.707 1.525 1.00 0.00 C ATOM 0 H ALA A 32 -9.451 3.332 -1.007 1.00 0.00 H new ATOM 0 HA ALA A 32 -9.637 1.552 1.326 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -10.115 3.696 2.524 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -8.595 3.785 1.603 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -10.065 4.562 0.971 1.00 0.00 H new ATOM 516 N SER A 33 -12.158 2.024 -0.459 1.00 0.00 N ATOM 517 CA SER A 33 -13.609 2.169 -0.709 1.00 0.00 C ATOM 518 C SER A 33 -14.146 1.026 -1.586 1.00 0.00 C ATOM 519 O SER A 33 -13.536 0.685 -2.601 1.00 0.00 O ATOM 520 CB SER A 33 -13.865 3.525 -1.392 1.00 0.00 C ATOM 521 OG SER A 33 -13.087 3.657 -2.572 1.00 0.00 O ATOM 0 H SER A 33 -11.627 1.750 -1.286 1.00 0.00 H new ATOM 0 HA SER A 33 -14.134 2.125 0.245 1.00 0.00 H new ATOM 0 HB2 SER A 33 -14.923 3.618 -1.638 1.00 0.00 H new ATOM 0 HB3 SER A 33 -13.626 4.334 -0.702 1.00 0.00 H new ATOM 0 HG SER A 33 -13.628 4.074 -3.275 1.00 0.00 H new ATOM 527 N SER A 34 -15.326 0.490 -1.203 1.00 0.00 N ATOM 528 CA SER A 34 -16.000 -0.614 -1.915 1.00 0.00 C ATOM 529 C SER A 34 -16.596 -0.146 -3.265 1.00 0.00 C ATOM 530 O SER A 34 -16.874 -0.977 -4.133 1.00 0.00 O ATOM 531 CB SER A 34 -17.116 -1.205 -1.021 1.00 0.00 C ATOM 532 OG SER A 34 -16.598 -1.636 0.230 1.00 0.00 O ATOM 0 H SER A 34 -15.840 0.815 -0.384 1.00 0.00 H new ATOM 0 HA SER A 34 -15.255 -1.380 -2.131 1.00 0.00 H new ATOM 0 HB2 SER A 34 -17.890 -0.455 -0.858 1.00 0.00 H new ATOM 0 HB3 SER A 34 -17.588 -2.045 -1.531 1.00 0.00 H new ATOM 0 HG SER A 34 -17.324 -2.003 0.776 1.00 0.00 H new ATOM 538 N ASP A 35 -16.806 1.181 -3.412 1.00 0.00 N ATOM 539 CA ASP A 35 -17.278 1.793 -4.677 1.00 0.00 C ATOM 540 C ASP A 35 -16.192 1.737 -5.760 1.00 0.00 C ATOM 541 O ASP A 35 -16.492 1.525 -6.933 1.00 0.00 O ATOM 542 CB ASP A 35 -17.732 3.261 -4.454 1.00 0.00 C ATOM 543 CG ASP A 35 -19.074 3.369 -3.714 1.00 0.00 C ATOM 544 OD1 ASP A 35 -20.136 3.321 -4.371 1.00 0.00 O ATOM 545 OD2 ASP A 35 -19.081 3.491 -2.477 1.00 0.00 O ATOM 0 H ASP A 35 -16.654 1.856 -2.662 1.00 0.00 H new ATOM 0 HA ASP A 35 -18.136 1.213 -5.018 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -16.967 3.790 -3.886 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -17.815 3.761 -5.419 1.00 0.00 H new ATOM 550 N TRP A 36 -14.922 1.862 -5.343 1.00 0.00 N ATOM 551 CA TRP A 36 -13.782 1.957 -6.271 1.00 0.00 C ATOM 552 C TRP A 36 -13.105 0.592 -6.341 1.00 0.00 C ATOM 553 O TRP A 36 -12.482 0.160 -5.366 1.00 0.00 O ATOM 554 CB TRP A 36 -12.758 3.019 -5.799 1.00 0.00 C ATOM 555 CG TRP A 36 -13.250 4.445 -5.842 1.00 0.00 C ATOM 556 CD1 TRP A 36 -14.350 4.970 -5.215 1.00 0.00 C ATOM 557 CD2 TRP A 36 -12.629 5.538 -6.531 1.00 0.00 C ATOM 558 NE1 TRP A 36 -14.453 6.305 -5.483 1.00 0.00 N ATOM 559 CE2 TRP A 36 -13.409 6.681 -6.286 1.00 0.00 C ATOM 560 CE3 TRP A 36 -11.491 5.657 -7.333 1.00 0.00 C ATOM 561 CZ2 TRP A 36 -13.088 7.923 -6.809 1.00 0.00 C ATOM 562 CZ3 TRP A 36 -11.175 6.892 -7.848 1.00 0.00 C ATOM 563 CH2 TRP A 36 -11.968 8.013 -7.586 1.00 0.00 C ATOM 0 H TRP A 36 -14.657 1.900 -4.359 1.00 0.00 H new ATOM 0 HA TRP A 36 -14.148 2.259 -7.252 1.00 0.00 H new ATOM 0 HB2 TRP A 36 -12.459 2.785 -4.777 1.00 0.00 H new ATOM 0 HB3 TRP A 36 -11.864 2.940 -6.418 1.00 0.00 H new ATOM 0 HD1 TRP A 36 -15.036 4.409 -4.598 1.00 0.00 H new ATOM 0 HE1 TRP A 36 -15.189 6.923 -5.140 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -10.873 4.797 -7.544 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 -13.701 8.789 -6.610 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -10.297 6.998 -8.467 1.00 0.00 H new ATOM 0 HH2 TRP A 36 -11.690 8.968 -8.006 1.00 0.00 H new ATOM 574 N HIS A 37 -13.245 -0.081 -7.482 1.00 0.00 N ATOM 575 CA HIS A 37 -12.596 -1.372 -7.744 1.00 0.00 C ATOM 576 C HIS A 37 -11.340 -1.146 -8.583 1.00 0.00 C ATOM 577 O HIS A 37 -11.121 -0.046 -9.081 1.00 0.00 O ATOM 578 CB HIS A 37 -13.566 -2.340 -8.471 1.00 0.00 C ATOM 579 CG HIS A 37 -13.886 -1.980 -9.907 1.00 0.00 C ATOM 580 ND1 HIS A 37 -13.096 -2.365 -10.970 1.00 0.00 N ATOM 581 CD2 HIS A 37 -14.911 -1.276 -10.450 1.00 0.00 C ATOM 582 CE1 HIS A 37 -13.611 -1.915 -12.086 1.00 0.00 C ATOM 583 NE2 HIS A 37 -14.709 -1.256 -11.807 1.00 0.00 N ATOM 0 H HIS A 37 -13.815 0.254 -8.259 1.00 0.00 H new ATOM 0 HA HIS A 37 -12.319 -1.828 -6.794 1.00 0.00 H new ATOM 0 HB2 HIS A 37 -13.135 -3.341 -8.452 1.00 0.00 H new ATOM 0 HB3 HIS A 37 -14.499 -2.384 -7.908 1.00 0.00 H new ATOM 0 HD2 HIS A 37 -15.730 -0.818 -9.916 1.00 0.00 H new ATOM 0 HE1 HIS A 37 -13.199 -2.062 -13.073 1.00 0.00 H new ATOM 0 HE2 HIS A 37 -15.316 -0.801 -12.489 1.00 0.00 H new ATOM 592 N THR A 38 -10.523 -2.190 -8.752 1.00 0.00 N ATOM 593 CA THR A 38 -9.357 -2.138 -9.644 1.00 0.00 C ATOM 594 C THR A 38 -9.682 -2.886 -10.943 1.00 0.00 C ATOM 595 O THR A 38 -10.061 -4.057 -10.913 1.00 0.00 O ATOM 596 CB THR A 38 -8.093 -2.735 -8.963 1.00 0.00 C ATOM 597 OG1 THR A 38 -7.940 -2.136 -7.678 1.00 0.00 O ATOM 598 CG2 THR A 38 -6.825 -2.470 -9.783 1.00 0.00 C ATOM 0 H THR A 38 -10.647 -3.086 -8.281 1.00 0.00 H new ATOM 0 HA THR A 38 -9.135 -1.095 -9.872 1.00 0.00 H new ATOM 0 HB THR A 38 -8.227 -3.814 -8.884 1.00 0.00 H new ATOM 0 HG1 THR A 38 -7.974 -2.830 -6.987 1.00 0.00 H new ATOM 0 HG21 THR A 38 -5.965 -2.903 -9.273 1.00 0.00 H new ATOM 0 HG22 THR A 38 -6.928 -2.923 -10.769 1.00 0.00 H new ATOM 0 HG23 THR A 38 -6.680 -1.395 -9.891 1.00 0.00 H new ATOM 606 N THR A 39 -9.563 -2.181 -12.072 1.00 0.00 N ATOM 607 CA THR A 39 -9.861 -2.706 -13.408 1.00 0.00 C ATOM 608 C THR A 39 -8.625 -3.443 -13.987 1.00 0.00 C ATOM 609 O THR A 39 -8.754 -4.264 -14.897 1.00 0.00 O ATOM 610 CB THR A 39 -10.269 -1.515 -14.349 1.00 0.00 C ATOM 611 OG1 THR A 39 -11.178 -0.639 -13.657 1.00 0.00 O ATOM 612 CG2 THR A 39 -10.927 -1.988 -15.661 1.00 0.00 C ATOM 0 H THR A 39 -9.251 -1.210 -12.083 1.00 0.00 H new ATOM 0 HA THR A 39 -10.684 -3.418 -13.341 1.00 0.00 H new ATOM 0 HB THR A 39 -9.350 -0.990 -14.612 1.00 0.00 H new ATOM 0 HG1 THR A 39 -11.429 0.103 -14.246 1.00 0.00 H new ATOM 0 HG21 THR A 39 -11.187 -1.122 -16.270 1.00 0.00 H new ATOM 0 HG22 THR A 39 -10.230 -2.622 -16.210 1.00 0.00 H new ATOM 0 HG23 THR A 39 -11.829 -2.555 -15.432 1.00 0.00 H new ATOM 620 N GLY A 40 -7.430 -3.121 -13.445 1.00 0.00 N ATOM 621 CA GLY A 40 -6.175 -3.736 -13.879 1.00 0.00 C ATOM 622 C GLY A 40 -5.016 -3.388 -12.949 1.00 0.00 C ATOM 623 O GLY A 40 -4.615 -2.222 -12.869 1.00 0.00 O ATOM 0 H GLY A 40 -7.318 -2.432 -12.701 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -6.296 -4.819 -13.918 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -5.940 -3.405 -14.891 1.00 0.00 H new ATOM 627 N SER A 41 -4.485 -4.397 -12.234 1.00 0.00 N ATOM 628 CA SER A 41 -3.314 -4.242 -11.352 1.00 0.00 C ATOM 629 C SER A 41 -2.079 -4.789 -12.071 1.00 0.00 C ATOM 630 O SER A 41 -2.042 -5.972 -12.433 1.00 0.00 O ATOM 631 CB SER A 41 -3.494 -4.991 -10.007 1.00 0.00 C ATOM 632 OG SER A 41 -4.609 -4.526 -9.287 1.00 0.00 O ATOM 0 H SER A 41 -4.858 -5.346 -12.252 1.00 0.00 H new ATOM 0 HA SER A 41 -3.198 -3.182 -11.127 1.00 0.00 H new ATOM 0 HB2 SER A 41 -3.607 -6.058 -10.199 1.00 0.00 H new ATOM 0 HB3 SER A 41 -2.596 -4.869 -9.402 1.00 0.00 H new ATOM 0 HG SER A 41 -4.687 -5.025 -8.447 1.00 0.00 H new ATOM 638 N ARG A 42 -1.105 -3.911 -12.342 1.00 0.00 N ATOM 639 CA ARG A 42 0.242 -4.299 -12.774 1.00 0.00 C ATOM 640 C ARG A 42 1.183 -4.003 -11.609 1.00 0.00 C ATOM 641 O ARG A 42 1.190 -2.882 -11.099 1.00 0.00 O ATOM 642 CB ARG A 42 0.696 -3.539 -14.056 1.00 0.00 C ATOM 643 CG ARG A 42 -0.079 -3.908 -15.351 1.00 0.00 C ATOM 644 CD ARG A 42 -1.527 -3.367 -15.393 1.00 0.00 C ATOM 645 NE ARG A 42 -2.265 -3.851 -16.578 1.00 0.00 N ATOM 646 CZ ARG A 42 -3.163 -4.854 -16.579 1.00 0.00 C ATOM 647 NH1 ARG A 42 -3.456 -5.522 -15.462 1.00 0.00 N ATOM 648 NH2 ARG A 42 -3.764 -5.178 -17.709 1.00 0.00 N ATOM 0 H ARG A 42 -1.232 -2.902 -12.267 1.00 0.00 H new ATOM 0 HA ARG A 42 0.254 -5.357 -13.037 1.00 0.00 H new ATOM 0 HB2 ARG A 42 0.591 -2.468 -13.881 1.00 0.00 H new ATOM 0 HB3 ARG A 42 1.756 -3.733 -14.218 1.00 0.00 H new ATOM 0 HG2 ARG A 42 0.467 -3.522 -16.212 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -0.104 -4.993 -15.450 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -2.054 -3.671 -14.489 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -1.507 -2.277 -15.399 1.00 0.00 H new ATOM 0 HE ARG A 42 -2.079 -3.388 -17.467 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -2.997 -5.276 -14.585 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -4.140 -6.279 -15.485 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -3.546 -4.671 -18.566 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -4.447 -5.936 -17.725 1.00 0.00 H new ATOM 662 N VAL A 43 1.899 -5.026 -11.136 1.00 0.00 N ATOM 663 CA VAL A 43 2.875 -4.920 -10.040 1.00 0.00 C ATOM 664 C VAL A 43 4.137 -5.682 -10.471 1.00 0.00 C ATOM 665 O VAL A 43 4.140 -6.917 -10.477 1.00 0.00 O ATOM 666 CB VAL A 43 2.307 -5.510 -8.673 1.00 0.00 C ATOM 667 CG1 VAL A 43 3.380 -5.514 -7.549 1.00 0.00 C ATOM 668 CG2 VAL A 43 1.030 -4.749 -8.214 1.00 0.00 C ATOM 0 H VAL A 43 1.817 -5.972 -11.509 1.00 0.00 H new ATOM 0 HA VAL A 43 3.097 -3.869 -9.852 1.00 0.00 H new ATOM 0 HB VAL A 43 2.033 -6.547 -8.867 1.00 0.00 H new ATOM 0 HG11 VAL A 43 2.949 -5.924 -6.636 1.00 0.00 H new ATOM 0 HG12 VAL A 43 4.227 -6.126 -7.857 1.00 0.00 H new ATOM 0 HG13 VAL A 43 3.717 -4.494 -7.364 1.00 0.00 H new ATOM 0 HG21 VAL A 43 0.668 -5.176 -7.279 1.00 0.00 H new ATOM 0 HG22 VAL A 43 1.268 -3.696 -8.064 1.00 0.00 H new ATOM 0 HG23 VAL A 43 0.258 -4.841 -8.978 1.00 0.00 H new ATOM 678 N ASP A 44 5.193 -4.958 -10.882 1.00 0.00 N ATOM 679 CA ASP A 44 6.475 -5.569 -11.268 1.00 0.00 C ATOM 680 C ASP A 44 7.449 -5.373 -10.109 1.00 0.00 C ATOM 681 O ASP A 44 8.190 -4.383 -10.067 1.00 0.00 O ATOM 682 CB ASP A 44 7.022 -4.963 -12.587 1.00 0.00 C ATOM 683 CG ASP A 44 8.341 -5.608 -13.046 1.00 0.00 C ATOM 684 OD1 ASP A 44 8.371 -6.837 -13.254 1.00 0.00 O ATOM 685 OD2 ASP A 44 9.355 -4.899 -13.210 1.00 0.00 O ATOM 0 H ASP A 44 5.182 -3.941 -10.955 1.00 0.00 H new ATOM 0 HA ASP A 44 6.339 -6.633 -11.463 1.00 0.00 H new ATOM 0 HB2 ASP A 44 6.275 -5.081 -13.371 1.00 0.00 H new ATOM 0 HB3 ASP A 44 7.176 -3.892 -12.452 1.00 0.00 H new ATOM 690 N LEU A 45 7.382 -6.302 -9.137 1.00 0.00 N ATOM 691 CA LEU A 45 8.084 -6.189 -7.853 1.00 0.00 C ATOM 692 C LEU A 45 9.586 -6.513 -8.002 1.00 0.00 C ATOM 693 O LEU A 45 10.037 -7.632 -7.709 1.00 0.00 O ATOM 694 CB LEU A 45 7.431 -7.113 -6.783 1.00 0.00 C ATOM 695 CG LEU A 45 7.987 -6.935 -5.334 1.00 0.00 C ATOM 696 CD1 LEU A 45 7.524 -5.603 -4.722 1.00 0.00 C ATOM 697 CD2 LEU A 45 7.644 -8.127 -4.426 1.00 0.00 C ATOM 0 H LEU A 45 6.834 -7.157 -9.225 1.00 0.00 H new ATOM 0 HA LEU A 45 7.996 -5.155 -7.519 1.00 0.00 H new ATOM 0 HB2 LEU A 45 6.357 -6.927 -6.770 1.00 0.00 H new ATOM 0 HB3 LEU A 45 7.571 -8.151 -7.086 1.00 0.00 H new ATOM 0 HG LEU A 45 9.074 -6.907 -5.410 1.00 0.00 H new ATOM 0 HD11 LEU A 45 7.926 -5.507 -3.714 1.00 0.00 H new ATOM 0 HD12 LEU A 45 7.882 -4.777 -5.336 1.00 0.00 H new ATOM 0 HD13 LEU A 45 6.435 -5.580 -4.682 1.00 0.00 H new ATOM 0 HD21 LEU A 45 8.052 -7.955 -3.430 1.00 0.00 H new ATOM 0 HD22 LEU A 45 6.561 -8.235 -4.361 1.00 0.00 H new ATOM 0 HD23 LEU A 45 8.075 -9.038 -4.843 1.00 0.00 H new ATOM 709 N VAL A 46 10.330 -5.545 -8.543 1.00 0.00 N ATOM 710 CA VAL A 46 11.795 -5.538 -8.559 1.00 0.00 C ATOM 711 C VAL A 46 12.265 -4.112 -8.274 1.00 0.00 C ATOM 712 O VAL A 46 11.477 -3.155 -8.353 1.00 0.00 O ATOM 713 CB VAL A 46 12.419 -6.040 -9.931 1.00 0.00 C ATOM 714 CG1 VAL A 46 12.047 -7.510 -10.241 1.00 0.00 C ATOM 715 CG2 VAL A 46 12.038 -5.104 -11.107 1.00 0.00 C ATOM 0 H VAL A 46 9.921 -4.726 -8.992 1.00 0.00 H new ATOM 0 HA VAL A 46 12.138 -6.238 -7.797 1.00 0.00 H new ATOM 0 HB VAL A 46 13.502 -6.003 -9.814 1.00 0.00 H new ATOM 0 HG11 VAL A 46 12.497 -7.807 -11.188 1.00 0.00 H new ATOM 0 HG12 VAL A 46 12.419 -8.155 -9.445 1.00 0.00 H new ATOM 0 HG13 VAL A 46 10.963 -7.605 -10.308 1.00 0.00 H new ATOM 0 HG21 VAL A 46 12.482 -5.479 -12.029 1.00 0.00 H new ATOM 0 HG22 VAL A 46 10.953 -5.075 -11.212 1.00 0.00 H new ATOM 0 HG23 VAL A 46 12.410 -4.099 -10.907 1.00 0.00 H new ATOM 725 N VAL A 47 13.548 -3.982 -7.938 1.00 0.00 N ATOM 726 CA VAL A 47 14.196 -2.680 -7.763 1.00 0.00 C ATOM 727 C VAL A 47 14.357 -2.028 -9.156 1.00 0.00 C ATOM 728 O VAL A 47 15.140 -2.507 -9.981 1.00 0.00 O ATOM 729 CB VAL A 47 15.586 -2.823 -7.050 1.00 0.00 C ATOM 730 CG1 VAL A 47 16.242 -1.441 -6.795 1.00 0.00 C ATOM 731 CG2 VAL A 47 15.438 -3.638 -5.738 1.00 0.00 C ATOM 0 H VAL A 47 14.169 -4.776 -7.779 1.00 0.00 H new ATOM 0 HA VAL A 47 13.577 -2.050 -7.124 1.00 0.00 H new ATOM 0 HB VAL A 47 16.254 -3.370 -7.715 1.00 0.00 H new ATOM 0 HG11 VAL A 47 17.203 -1.580 -6.300 1.00 0.00 H new ATOM 0 HG12 VAL A 47 16.394 -0.930 -7.745 1.00 0.00 H new ATOM 0 HG13 VAL A 47 15.590 -0.841 -6.160 1.00 0.00 H new ATOM 0 HG21 VAL A 47 16.411 -3.729 -5.254 1.00 0.00 H new ATOM 0 HG22 VAL A 47 14.746 -3.127 -5.068 1.00 0.00 H new ATOM 0 HG23 VAL A 47 15.053 -4.631 -5.968 1.00 0.00 H new ATOM 741 N GLY A 48 13.553 -0.984 -9.406 1.00 0.00 N ATOM 742 CA GLY A 48 13.481 -0.315 -10.711 1.00 0.00 C ATOM 743 C GLY A 48 12.192 -0.646 -11.466 1.00 0.00 C ATOM 744 O GLY A 48 11.880 0.012 -12.469 1.00 0.00 O ATOM 0 H GLY A 48 12.932 -0.579 -8.705 1.00 0.00 H new ATOM 0 HA2 GLY A 48 13.548 0.763 -10.568 1.00 0.00 H new ATOM 0 HA3 GLY A 48 14.339 -0.610 -11.315 1.00 0.00 H new ATOM 748 N GLY A 49 11.438 -1.650 -10.973 1.00 0.00 N ATOM 749 CA GLY A 49 10.199 -2.099 -11.618 1.00 0.00 C ATOM 750 C GLY A 49 9.043 -1.142 -11.404 1.00 0.00 C ATOM 751 O GLY A 49 8.998 -0.440 -10.406 1.00 0.00 O ATOM 0 H GLY A 49 11.673 -2.165 -10.124 1.00 0.00 H new ATOM 0 HA2 GLY A 49 10.374 -2.216 -12.687 1.00 0.00 H new ATOM 0 HA3 GLY A 49 9.928 -3.081 -11.230 1.00 0.00 H new ATOM 755 N ARG A 50 8.105 -1.111 -12.363 1.00 0.00 N ATOM 756 CA ARG A 50 6.980 -0.161 -12.367 1.00 0.00 C ATOM 757 C ARG A 50 5.679 -0.873 -11.962 1.00 0.00 C ATOM 758 O ARG A 50 5.555 -2.097 -12.096 1.00 0.00 O ATOM 759 CB ARG A 50 6.813 0.511 -13.768 1.00 0.00 C ATOM 760 CG ARG A 50 7.992 1.425 -14.231 1.00 0.00 C ATOM 761 CD ARG A 50 9.245 0.646 -14.700 1.00 0.00 C ATOM 762 NE ARG A 50 10.357 1.543 -15.072 1.00 0.00 N ATOM 763 CZ ARG A 50 11.121 1.426 -16.169 1.00 0.00 C ATOM 764 NH1 ARG A 50 10.933 0.441 -17.029 1.00 0.00 N ATOM 765 NH2 ARG A 50 12.071 2.321 -16.386 1.00 0.00 N ATOM 0 H ARG A 50 8.105 -1.746 -13.161 1.00 0.00 H new ATOM 0 HA ARG A 50 7.198 0.621 -11.640 1.00 0.00 H new ATOM 0 HB2 ARG A 50 6.674 -0.274 -14.512 1.00 0.00 H new ATOM 0 HB3 ARG A 50 5.900 1.106 -13.758 1.00 0.00 H new ATOM 0 HG2 ARG A 50 7.647 2.062 -15.045 1.00 0.00 H new ATOM 0 HG3 ARG A 50 8.273 2.083 -13.409 1.00 0.00 H new ATOM 0 HD2 ARG A 50 9.572 -0.024 -13.905 1.00 0.00 H new ATOM 0 HD3 ARG A 50 8.983 0.022 -15.555 1.00 0.00 H new ATOM 0 HE ARG A 50 10.562 2.318 -14.441 1.00 0.00 H new ATOM 0 HH11 ARG A 50 10.197 -0.246 -16.864 1.00 0.00 H new ATOM 0 HH12 ARG A 50 11.523 0.368 -17.858 1.00 0.00 H new ATOM 0 HH21 ARG A 50 12.213 3.084 -15.725 1.00 0.00 H new ATOM 0 HH22 ARG A 50 12.661 2.248 -17.215 1.00 0.00 H new ATOM 779 N PHE A 51 4.715 -0.091 -11.452 1.00 0.00 N ATOM 780 CA PHE A 51 3.373 -0.582 -11.087 1.00 0.00 C ATOM 781 C PHE A 51 2.305 0.447 -11.491 1.00 0.00 C ATOM 782 O PHE A 51 2.582 1.650 -11.517 1.00 0.00 O ATOM 783 CB PHE A 51 3.289 -0.894 -9.557 1.00 0.00 C ATOM 784 CG PHE A 51 3.451 0.328 -8.644 1.00 0.00 C ATOM 785 CD1 PHE A 51 4.708 0.818 -8.322 1.00 0.00 C ATOM 786 CD2 PHE A 51 2.338 0.998 -8.130 1.00 0.00 C ATOM 787 CE1 PHE A 51 4.849 1.928 -7.528 1.00 0.00 C ATOM 788 CE2 PHE A 51 2.482 2.115 -7.337 1.00 0.00 C ATOM 789 CZ PHE A 51 3.737 2.581 -7.036 1.00 0.00 C ATOM 0 H PHE A 51 4.843 0.906 -11.279 1.00 0.00 H new ATOM 0 HA PHE A 51 3.187 -1.510 -11.628 1.00 0.00 H new ATOM 0 HB2 PHE A 51 2.327 -1.362 -9.348 1.00 0.00 H new ATOM 0 HB3 PHE A 51 4.059 -1.623 -9.306 1.00 0.00 H new ATOM 0 HD1 PHE A 51 5.588 0.319 -8.701 1.00 0.00 H new ATOM 0 HD2 PHE A 51 1.347 0.634 -8.358 1.00 0.00 H new ATOM 0 HE1 PHE A 51 5.836 2.293 -7.286 1.00 0.00 H new ATOM 0 HE2 PHE A 51 1.609 2.623 -6.953 1.00 0.00 H new ATOM 0 HZ PHE A 51 3.854 3.457 -6.415 1.00 0.00 H new ATOM 799 N CYS A 52 1.091 -0.034 -11.795 1.00 0.00 N ATOM 800 CA CYS A 52 -0.064 0.814 -12.120 1.00 0.00 C ATOM 801 C CYS A 52 -1.354 0.109 -11.664 1.00 0.00 C ATOM 802 O CYS A 52 -1.765 -0.906 -12.239 1.00 0.00 O ATOM 803 CB CYS A 52 -0.094 1.113 -13.632 1.00 0.00 C ATOM 804 SG CYS A 52 -0.210 -0.353 -14.669 1.00 0.00 S ATOM 0 H CYS A 52 0.882 -1.032 -11.822 1.00 0.00 H new ATOM 0 HA CYS A 52 0.017 1.766 -11.596 1.00 0.00 H new ATOM 0 HB2 CYS A 52 -0.942 1.764 -13.846 1.00 0.00 H new ATOM 0 HB3 CYS A 52 0.807 1.664 -13.900 1.00 0.00 H new ATOM 0 HG CYS A 52 -1.267 -0.270 -15.421 1.00 0.00 H new ATOM 810 N HIS A 53 -1.960 0.624 -10.580 1.00 0.00 N ATOM 811 CA HIS A 53 -3.205 0.082 -10.011 1.00 0.00 C ATOM 812 C HIS A 53 -4.365 0.940 -10.525 1.00 0.00 C ATOM 813 O HIS A 53 -4.716 1.963 -9.914 1.00 0.00 O ATOM 814 CB HIS A 53 -3.161 0.095 -8.462 1.00 0.00 C ATOM 815 CG HIS A 53 -2.035 -0.685 -7.836 1.00 0.00 C ATOM 816 ND1 HIS A 53 -2.201 -1.510 -6.747 1.00 0.00 N ATOM 817 CD2 HIS A 53 -0.716 -0.729 -8.132 1.00 0.00 C ATOM 818 CE1 HIS A 53 -1.033 -2.027 -6.413 1.00 0.00 C ATOM 819 NE2 HIS A 53 -0.121 -1.568 -7.238 1.00 0.00 N ATOM 0 H HIS A 53 -1.598 1.431 -10.072 1.00 0.00 H new ATOM 0 HA HIS A 53 -3.334 -0.956 -10.318 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -3.092 1.130 -8.127 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -4.105 -0.299 -8.086 1.00 0.00 H new ATOM 0 HD1 HIS A 53 -3.086 -1.693 -6.273 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -0.224 -0.196 -8.932 1.00 0.00 H new ATOM 0 HE1 HIS A 53 -0.857 -2.713 -5.597 1.00 0.00 H new ATOM 828 N HIS A 54 -4.902 0.545 -11.683 1.00 0.00 N ATOM 829 CA HIS A 54 -5.958 1.284 -12.376 1.00 0.00 C ATOM 830 C HIS A 54 -7.294 1.067 -11.657 1.00 0.00 C ATOM 831 O HIS A 54 -7.771 -0.059 -11.600 1.00 0.00 O ATOM 832 CB HIS A 54 -6.061 0.827 -13.849 1.00 0.00 C ATOM 833 CG HIS A 54 -4.796 1.012 -14.660 1.00 0.00 C ATOM 834 ND1 HIS A 54 -4.508 2.168 -15.347 1.00 0.00 N ATOM 835 CD2 HIS A 54 -3.744 0.181 -14.888 1.00 0.00 C ATOM 836 CE1 HIS A 54 -3.349 2.043 -15.957 1.00 0.00 C ATOM 837 NE2 HIS A 54 -2.861 0.852 -15.692 1.00 0.00 N ATOM 0 H HIS A 54 -4.613 -0.304 -12.169 1.00 0.00 H new ATOM 0 HA HIS A 54 -5.714 2.346 -12.364 1.00 0.00 H new ATOM 0 HB2 HIS A 54 -6.338 -0.227 -13.869 1.00 0.00 H new ATOM 0 HB3 HIS A 54 -6.869 1.378 -14.330 1.00 0.00 H new ATOM 0 HD1 HIS A 54 -5.102 2.996 -15.379 1.00 0.00 H new ATOM 0 HD2 HIS A 54 -3.626 -0.822 -14.506 1.00 0.00 H new ATOM 0 HE1 HIS A 54 -2.877 2.794 -16.573 1.00 0.00 H new ATOM 846 N MET A 55 -7.889 2.142 -11.127 1.00 0.00 N ATOM 847 CA MET A 55 -9.117 2.069 -10.305 1.00 0.00 C ATOM 848 C MET A 55 -10.257 2.796 -11.006 1.00 0.00 C ATOM 849 O MET A 55 -10.041 3.835 -11.635 1.00 0.00 O ATOM 850 CB MET A 55 -8.922 2.682 -8.891 1.00 0.00 C ATOM 851 CG MET A 55 -7.759 2.102 -8.090 1.00 0.00 C ATOM 852 SD MET A 55 -7.771 2.621 -6.359 1.00 0.00 S ATOM 853 CE MET A 55 -7.879 4.408 -6.485 1.00 0.00 C ATOM 0 H MET A 55 -7.537 3.091 -11.252 1.00 0.00 H new ATOM 0 HA MET A 55 -9.354 1.012 -10.184 1.00 0.00 H new ATOM 0 HB2 MET A 55 -8.771 3.757 -8.995 1.00 0.00 H new ATOM 0 HB3 MET A 55 -9.841 2.543 -8.321 1.00 0.00 H new ATOM 0 HG2 MET A 55 -7.798 1.014 -8.138 1.00 0.00 H new ATOM 0 HG3 MET A 55 -6.819 2.408 -8.550 1.00 0.00 H new ATOM 0 HE1 MET A 55 -7.594 4.858 -5.534 1.00 0.00 H new ATOM 0 HE2 MET A 55 -7.207 4.759 -7.268 1.00 0.00 H new ATOM 0 HE3 MET A 55 -8.902 4.694 -6.730 1.00 0.00 H new ATOM 863 N ALA A 56 -11.467 2.244 -10.877 1.00 0.00 N ATOM 864 CA ALA A 56 -12.699 2.807 -11.424 1.00 0.00 C ATOM 865 C ALA A 56 -13.830 2.610 -10.421 1.00 0.00 C ATOM 866 O ALA A 56 -13.876 1.580 -9.745 1.00 0.00 O ATOM 867 CB ALA A 56 -13.043 2.117 -12.748 1.00 0.00 C ATOM 0 H ALA A 56 -11.618 1.369 -10.375 1.00 0.00 H new ATOM 0 HA ALA A 56 -12.563 3.872 -11.610 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -13.963 2.541 -13.151 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -12.231 2.269 -13.459 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -13.180 1.049 -12.577 1.00 0.00 H new ATOM 873 N ALA A 57 -14.722 3.600 -10.318 1.00 0.00 N ATOM 874 CA ALA A 57 -15.950 3.482 -9.530 1.00 0.00 C ATOM 875 C ALA A 57 -16.937 2.577 -10.296 1.00 0.00 C ATOM 876 O ALA A 57 -17.085 2.714 -11.508 1.00 0.00 O ATOM 877 CB ALA A 57 -16.539 4.871 -9.244 1.00 0.00 C ATOM 0 H ALA A 57 -14.612 4.504 -10.778 1.00 0.00 H new ATOM 0 HA ALA A 57 -15.740 3.027 -8.562 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -17.452 4.765 -8.657 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -15.815 5.465 -8.686 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -16.769 5.370 -10.186 1.00 0.00 H new ATOM 883 N LYS A 58 -17.587 1.651 -9.583 1.00 0.00 N ATOM 884 CA LYS A 58 -18.426 0.590 -10.178 1.00 0.00 C ATOM 885 C LYS A 58 -19.687 1.196 -10.835 1.00 0.00 C ATOM 886 O LYS A 58 -20.126 0.741 -11.898 1.00 0.00 O ATOM 887 CB LYS A 58 -18.777 -0.450 -9.055 1.00 0.00 C ATOM 888 CG LYS A 58 -19.483 -1.779 -9.498 1.00 0.00 C ATOM 889 CD LYS A 58 -21.008 -1.641 -9.791 1.00 0.00 C ATOM 890 CE LYS A 58 -21.805 -1.054 -8.606 1.00 0.00 C ATOM 891 NZ LYS A 58 -21.789 -1.929 -7.413 1.00 0.00 N ATOM 0 H LYS A 58 -17.549 1.612 -8.564 1.00 0.00 H new ATOM 0 HA LYS A 58 -17.885 0.076 -10.973 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -17.853 -0.715 -8.540 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -19.418 0.045 -8.326 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -18.988 -2.157 -10.393 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -19.343 -2.526 -8.717 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -21.147 -1.004 -10.665 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -21.413 -2.621 -10.043 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -21.391 -0.081 -8.342 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -22.837 -0.888 -8.915 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -22.339 -1.485 -6.650 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -22.209 -2.850 -7.652 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -20.808 -2.068 -7.097 1.00 0.00 H new ATOM 905 N ASP A 59 -20.225 2.246 -10.202 1.00 0.00 N ATOM 906 CA ASP A 59 -21.509 2.876 -10.571 1.00 0.00 C ATOM 907 C ASP A 59 -21.266 4.238 -11.258 1.00 0.00 C ATOM 908 O ASP A 59 -22.102 4.700 -12.050 1.00 0.00 O ATOM 909 CB ASP A 59 -22.383 3.033 -9.296 1.00 0.00 C ATOM 910 CG ASP A 59 -23.695 3.815 -9.507 1.00 0.00 C ATOM 911 OD1 ASP A 59 -24.656 3.252 -10.068 1.00 0.00 O ATOM 912 OD2 ASP A 59 -23.768 4.999 -9.112 1.00 0.00 O ATOM 0 H ASP A 59 -19.775 2.693 -9.403 1.00 0.00 H new ATOM 0 HA ASP A 59 -22.037 2.243 -11.283 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -22.624 2.041 -8.913 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -21.795 3.537 -8.529 1.00 0.00 H new ATOM 917 N GLY A 60 -20.103 4.857 -10.980 1.00 0.00 N ATOM 918 CA GLY A 60 -19.763 6.182 -11.517 1.00 0.00 C ATOM 919 C GLY A 60 -18.444 6.193 -12.287 1.00 0.00 C ATOM 920 O GLY A 60 -17.652 5.274 -12.170 1.00 0.00 O ATOM 0 H GLY A 60 -19.381 4.455 -10.382 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -20.564 6.518 -12.175 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -19.704 6.897 -10.696 1.00 0.00 H new ATOM 924 N SER A 61 -18.232 7.250 -13.084 1.00 0.00 N ATOM 925 CA SER A 61 -17.045 7.406 -13.961 1.00 0.00 C ATOM 926 C SER A 61 -15.749 7.836 -13.214 1.00 0.00 C ATOM 927 O SER A 61 -14.691 7.949 -13.850 1.00 0.00 O ATOM 928 CB SER A 61 -17.392 8.418 -15.091 1.00 0.00 C ATOM 929 OG SER A 61 -16.406 8.448 -16.113 1.00 0.00 O ATOM 0 H SER A 61 -18.882 8.033 -13.144 1.00 0.00 H new ATOM 0 HA SER A 61 -16.817 6.423 -14.373 1.00 0.00 H new ATOM 0 HB2 SER A 61 -18.356 8.155 -15.527 1.00 0.00 H new ATOM 0 HB3 SER A 61 -17.498 9.415 -14.663 1.00 0.00 H new ATOM 0 HG SER A 61 -15.533 8.219 -15.732 1.00 0.00 H new ATOM 935 N ALA A 62 -15.818 8.054 -11.881 1.00 0.00 N ATOM 936 CA ALA A 62 -14.656 8.521 -11.083 1.00 0.00 C ATOM 937 C ALA A 62 -13.563 7.438 -11.003 1.00 0.00 C ATOM 938 O ALA A 62 -13.822 6.326 -10.553 1.00 0.00 O ATOM 939 CB ALA A 62 -15.099 8.952 -9.678 1.00 0.00 C ATOM 0 H ALA A 62 -16.667 7.914 -11.333 1.00 0.00 H new ATOM 0 HA ALA A 62 -14.230 9.388 -11.589 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -14.232 9.290 -9.111 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -15.820 9.765 -9.757 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -15.560 8.107 -9.167 1.00 0.00 H new ATOM 945 N GLY A 63 -12.346 7.783 -11.456 1.00 0.00 N ATOM 946 CA GLY A 63 -11.225 6.838 -11.523 1.00 0.00 C ATOM 947 C GLY A 63 -9.900 7.470 -11.134 1.00 0.00 C ATOM 948 O GLY A 63 -9.726 8.683 -11.265 1.00 0.00 O ATOM 0 H GLY A 63 -12.115 8.721 -11.784 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -11.427 5.994 -10.864 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -11.150 6.441 -12.535 1.00 0.00 H new ATOM 952 N PHE A 64 -8.962 6.636 -10.660 1.00 0.00 N ATOM 953 CA PHE A 64 -7.622 7.069 -10.222 1.00 0.00 C ATOM 954 C PHE A 64 -6.641 5.906 -10.402 1.00 0.00 C ATOM 955 O PHE A 64 -7.055 4.751 -10.439 1.00 0.00 O ATOM 956 CB PHE A 64 -7.666 7.548 -8.746 1.00 0.00 C ATOM 957 CG PHE A 64 -6.342 8.101 -8.196 1.00 0.00 C ATOM 958 CD1 PHE A 64 -5.861 9.341 -8.617 1.00 0.00 C ATOM 959 CD2 PHE A 64 -5.581 7.382 -7.269 1.00 0.00 C ATOM 960 CE1 PHE A 64 -4.670 9.848 -8.130 1.00 0.00 C ATOM 961 CE2 PHE A 64 -4.391 7.891 -6.782 1.00 0.00 C ATOM 962 CZ PHE A 64 -3.934 9.122 -7.214 1.00 0.00 C ATOM 0 H PHE A 64 -9.112 5.631 -10.568 1.00 0.00 H new ATOM 0 HA PHE A 64 -7.287 7.910 -10.828 1.00 0.00 H new ATOM 0 HB2 PHE A 64 -8.429 8.321 -8.654 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -7.980 6.713 -8.119 1.00 0.00 H new ATOM 0 HD1 PHE A 64 -6.428 9.915 -9.335 1.00 0.00 H new ATOM 0 HD2 PHE A 64 -5.927 6.417 -6.929 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -4.316 10.811 -8.466 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -3.817 7.325 -6.063 1.00 0.00 H new ATOM 0 HZ PHE A 64 -3.002 9.516 -6.836 1.00 0.00 H new ATOM 972 N ASP A 65 -5.346 6.211 -10.515 1.00 0.00 N ATOM 973 CA ASP A 65 -4.296 5.206 -10.732 1.00 0.00 C ATOM 974 C ASP A 65 -3.218 5.363 -9.658 1.00 0.00 C ATOM 975 O ASP A 65 -2.824 6.488 -9.346 1.00 0.00 O ATOM 976 CB ASP A 65 -3.639 5.379 -12.131 1.00 0.00 C ATOM 977 CG ASP A 65 -4.632 5.327 -13.301 1.00 0.00 C ATOM 978 OD1 ASP A 65 -5.204 4.260 -13.549 1.00 0.00 O ATOM 979 OD2 ASP A 65 -4.844 6.349 -13.979 1.00 0.00 O ATOM 0 H ASP A 65 -4.992 7.166 -10.459 1.00 0.00 H new ATOM 0 HA ASP A 65 -4.751 4.217 -10.677 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -3.112 6.333 -12.158 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -2.891 4.598 -12.268 1.00 0.00 H new ATOM 984 N PHE A 66 -2.748 4.238 -9.094 1.00 0.00 N ATOM 985 CA PHE A 66 -1.516 4.211 -8.287 1.00 0.00 C ATOM 986 C PHE A 66 -0.379 3.797 -9.223 1.00 0.00 C ATOM 987 O PHE A 66 -0.056 2.608 -9.339 1.00 0.00 O ATOM 988 CB PHE A 66 -1.621 3.243 -7.076 1.00 0.00 C ATOM 989 CG PHE A 66 -2.704 3.608 -6.058 1.00 0.00 C ATOM 990 CD1 PHE A 66 -2.618 4.791 -5.317 1.00 0.00 C ATOM 991 CD2 PHE A 66 -3.802 2.774 -5.838 1.00 0.00 C ATOM 992 CE1 PHE A 66 -3.584 5.116 -4.377 1.00 0.00 C ATOM 993 CE2 PHE A 66 -4.766 3.102 -4.899 1.00 0.00 C ATOM 994 CZ PHE A 66 -4.663 4.275 -4.175 1.00 0.00 C ATOM 0 H PHE A 66 -3.205 3.331 -9.183 1.00 0.00 H new ATOM 0 HA PHE A 66 -1.335 5.197 -7.859 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -1.815 2.237 -7.448 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -0.658 3.214 -6.567 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -1.787 5.461 -5.479 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -3.901 1.862 -6.407 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -3.494 6.026 -3.802 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -5.602 2.438 -4.732 1.00 0.00 H new ATOM 0 HZ PHE A 66 -5.423 4.534 -3.453 1.00 0.00 H new ATOM 1004 N THR A 67 0.133 4.773 -9.978 1.00 0.00 N ATOM 1005 CA THR A 67 1.250 4.575 -10.903 1.00 0.00 C ATOM 1006 C THR A 67 2.543 5.032 -10.239 1.00 0.00 C ATOM 1007 O THR A 67 2.540 6.042 -9.535 1.00 0.00 O ATOM 1008 CB THR A 67 1.031 5.368 -12.233 1.00 0.00 C ATOM 1009 OG1 THR A 67 0.827 6.762 -11.953 1.00 0.00 O ATOM 1010 CG2 THR A 67 -0.169 4.841 -13.027 1.00 0.00 C ATOM 0 H THR A 67 -0.220 5.730 -9.964 1.00 0.00 H new ATOM 0 HA THR A 67 1.311 3.515 -11.148 1.00 0.00 H new ATOM 0 HB THR A 67 1.929 5.231 -12.836 1.00 0.00 H new ATOM 0 HG1 THR A 67 0.693 7.248 -12.793 1.00 0.00 H new ATOM 0 HG21 THR A 67 -0.283 5.421 -13.943 1.00 0.00 H new ATOM 0 HG22 THR A 67 -0.006 3.793 -13.280 1.00 0.00 H new ATOM 0 HG23 THR A 67 -1.073 4.933 -12.424 1.00 0.00 H new ATOM 1018 N GLY A 68 3.632 4.289 -10.462 1.00 0.00 N ATOM 1019 CA GLY A 68 4.933 4.634 -9.913 1.00 0.00 C ATOM 1020 C GLY A 68 5.994 3.613 -10.254 1.00 0.00 C ATOM 1021 O GLY A 68 5.818 2.797 -11.171 1.00 0.00 O ATOM 0 H GLY A 68 3.630 3.439 -11.025 1.00 0.00 H new ATOM 0 HA2 GLY A 68 5.237 5.610 -10.292 1.00 0.00 H new ATOM 0 HA3 GLY A 68 4.854 4.724 -8.830 1.00 0.00 H new ATOM 1025 N THR A 69 7.100 3.654 -9.499 1.00 0.00 N ATOM 1026 CA THR A 69 8.253 2.771 -9.678 1.00 0.00 C ATOM 1027 C THR A 69 8.834 2.393 -8.308 1.00 0.00 C ATOM 1028 O THR A 69 9.117 3.282 -7.491 1.00 0.00 O ATOM 1029 CB THR A 69 9.334 3.480 -10.559 1.00 0.00 C ATOM 1030 OG1 THR A 69 8.756 3.825 -11.829 1.00 0.00 O ATOM 1031 CG2 THR A 69 10.587 2.607 -10.787 1.00 0.00 C ATOM 0 H THR A 69 7.217 4.316 -8.732 1.00 0.00 H new ATOM 0 HA THR A 69 7.937 1.860 -10.186 1.00 0.00 H new ATOM 0 HB THR A 69 9.657 4.372 -10.023 1.00 0.00 H new ATOM 0 HG1 THR A 69 9.429 4.271 -12.384 1.00 0.00 H new ATOM 0 HG21 THR A 69 11.302 3.151 -11.405 1.00 0.00 H new ATOM 0 HG22 THR A 69 11.044 2.369 -9.827 1.00 0.00 H new ATOM 0 HG23 THR A 69 10.301 1.684 -11.291 1.00 0.00 H new ATOM 1039 N PHE A 70 8.983 1.073 -8.061 1.00 0.00 N ATOM 1040 CA PHE A 70 9.622 0.526 -6.853 1.00 0.00 C ATOM 1041 C PHE A 70 11.086 0.967 -6.773 1.00 0.00 C ATOM 1042 O PHE A 70 11.860 0.737 -7.706 1.00 0.00 O ATOM 1043 CB PHE A 70 9.536 -1.018 -6.823 1.00 0.00 C ATOM 1044 CG PHE A 70 8.107 -1.564 -6.864 1.00 0.00 C ATOM 1045 CD1 PHE A 70 7.291 -1.520 -5.736 1.00 0.00 C ATOM 1046 CD2 PHE A 70 7.581 -2.125 -8.025 1.00 0.00 C ATOM 1047 CE1 PHE A 70 6.005 -2.015 -5.769 1.00 0.00 C ATOM 1048 CE2 PHE A 70 6.296 -2.621 -8.057 1.00 0.00 C ATOM 1049 CZ PHE A 70 5.508 -2.566 -6.928 1.00 0.00 C ATOM 0 H PHE A 70 8.658 0.352 -8.705 1.00 0.00 H new ATOM 0 HA PHE A 70 9.084 0.917 -5.989 1.00 0.00 H new ATOM 0 HB2 PHE A 70 10.091 -1.419 -7.671 1.00 0.00 H new ATOM 0 HB3 PHE A 70 10.027 -1.381 -5.920 1.00 0.00 H new ATOM 0 HD1 PHE A 70 7.672 -1.091 -4.821 1.00 0.00 H new ATOM 0 HD2 PHE A 70 8.191 -2.172 -8.915 1.00 0.00 H new ATOM 0 HE1 PHE A 70 5.387 -1.970 -4.885 1.00 0.00 H new ATOM 0 HE2 PHE A 70 5.906 -3.053 -8.967 1.00 0.00 H new ATOM 0 HZ PHE A 70 4.501 -2.955 -6.953 1.00 0.00 H new ATOM 1059 N THR A 71 11.432 1.612 -5.660 1.00 0.00 N ATOM 1060 CA THR A 71 12.763 2.177 -5.427 1.00 0.00 C ATOM 1061 C THR A 71 13.635 1.231 -4.596 1.00 0.00 C ATOM 1062 O THR A 71 14.855 1.192 -4.780 1.00 0.00 O ATOM 1063 CB THR A 71 12.633 3.556 -4.711 1.00 0.00 C ATOM 1064 OG1 THR A 71 11.789 3.425 -3.551 1.00 0.00 O ATOM 1065 CG2 THR A 71 12.043 4.618 -5.652 1.00 0.00 C ATOM 0 H THR A 71 10.788 1.760 -4.883 1.00 0.00 H new ATOM 0 HA THR A 71 13.248 2.314 -6.394 1.00 0.00 H new ATOM 0 HB THR A 71 13.631 3.876 -4.411 1.00 0.00 H new ATOM 0 HG1 THR A 71 11.711 4.293 -3.103 1.00 0.00 H new ATOM 0 HG21 THR A 71 11.965 5.569 -5.124 1.00 0.00 H new ATOM 0 HG22 THR A 71 12.693 4.737 -6.519 1.00 0.00 H new ATOM 0 HG23 THR A 71 11.053 4.303 -5.981 1.00 0.00 H new ATOM 1073 N ARG A 72 13.007 0.461 -3.695 1.00 0.00 N ATOM 1074 CA ARG A 72 13.731 -0.431 -2.773 1.00 0.00 C ATOM 1075 C ARG A 72 12.816 -1.588 -2.341 1.00 0.00 C ATOM 1076 O ARG A 72 11.773 -1.359 -1.730 1.00 0.00 O ATOM 1077 CB ARG A 72 14.209 0.394 -1.547 1.00 0.00 C ATOM 1078 CG ARG A 72 15.005 -0.392 -0.488 1.00 0.00 C ATOM 1079 CD ARG A 72 15.471 0.490 0.682 1.00 0.00 C ATOM 1080 NE ARG A 72 16.385 1.572 0.231 1.00 0.00 N ATOM 1081 CZ ARG A 72 16.135 2.893 0.289 1.00 0.00 C ATOM 1082 NH1 ARG A 72 14.994 3.356 0.772 1.00 0.00 N ATOM 1083 NH2 ARG A 72 17.035 3.742 -0.158 1.00 0.00 N ATOM 0 H ARG A 72 11.993 0.437 -3.584 1.00 0.00 H new ATOM 0 HA ARG A 72 14.601 -0.860 -3.270 1.00 0.00 H new ATOM 0 HB2 ARG A 72 14.828 1.217 -1.904 1.00 0.00 H new ATOM 0 HB3 ARG A 72 13.336 0.836 -1.066 1.00 0.00 H new ATOM 0 HG2 ARG A 72 14.386 -1.202 -0.102 1.00 0.00 H new ATOM 0 HG3 ARG A 72 15.874 -0.851 -0.960 1.00 0.00 H new ATOM 0 HD2 ARG A 72 14.603 0.929 1.173 1.00 0.00 H new ATOM 0 HD3 ARG A 72 15.978 -0.128 1.423 1.00 0.00 H new ATOM 0 HE ARG A 72 17.284 1.287 -0.158 1.00 0.00 H new ATOM 0 HH11 ARG A 72 14.283 2.708 1.110 1.00 0.00 H new ATOM 0 HH12 ARG A 72 14.825 4.361 0.807 1.00 0.00 H new ATOM 0 HH21 ARG A 72 17.914 3.397 -0.545 1.00 0.00 H new ATOM 0 HH22 ARG A 72 16.854 4.745 -0.118 1.00 0.00 H new ATOM 1097 N VAL A 73 13.210 -2.836 -2.664 1.00 0.00 N ATOM 1098 CA VAL A 73 12.444 -4.046 -2.304 1.00 0.00 C ATOM 1099 C VAL A 73 13.274 -4.889 -1.312 1.00 0.00 C ATOM 1100 O VAL A 73 14.205 -5.603 -1.718 1.00 0.00 O ATOM 1101 CB VAL A 73 12.058 -4.915 -3.569 1.00 0.00 C ATOM 1102 CG1 VAL A 73 11.153 -6.119 -3.177 1.00 0.00 C ATOM 1103 CG2 VAL A 73 11.398 -4.038 -4.672 1.00 0.00 C ATOM 0 H VAL A 73 14.067 -3.033 -3.181 1.00 0.00 H new ATOM 0 HA VAL A 73 11.509 -3.729 -1.843 1.00 0.00 H new ATOM 0 HB VAL A 73 12.979 -5.325 -3.983 1.00 0.00 H new ATOM 0 HG11 VAL A 73 10.907 -6.695 -4.069 1.00 0.00 H new ATOM 0 HG12 VAL A 73 11.682 -6.756 -2.469 1.00 0.00 H new ATOM 0 HG13 VAL A 73 10.236 -5.750 -2.718 1.00 0.00 H new ATOM 0 HG21 VAL A 73 11.143 -4.662 -5.529 1.00 0.00 H new ATOM 0 HG22 VAL A 73 10.493 -3.577 -4.277 1.00 0.00 H new ATOM 0 HG23 VAL A 73 12.095 -3.260 -4.984 1.00 0.00 H new ATOM 1113 N GLU A 74 12.960 -4.758 -0.009 1.00 0.00 N ATOM 1114 CA GLU A 74 13.613 -5.522 1.070 1.00 0.00 C ATOM 1115 C GLU A 74 12.667 -6.646 1.508 1.00 0.00 C ATOM 1116 O GLU A 74 12.070 -6.578 2.579 1.00 0.00 O ATOM 1117 CB GLU A 74 13.968 -4.592 2.274 1.00 0.00 C ATOM 1118 CG GLU A 74 14.769 -3.324 1.917 1.00 0.00 C ATOM 1119 CD GLU A 74 16.100 -3.630 1.206 1.00 0.00 C ATOM 1120 OE1 GLU A 74 17.066 -4.020 1.884 1.00 0.00 O ATOM 1121 OE2 GLU A 74 16.183 -3.493 -0.025 1.00 0.00 O ATOM 0 H GLU A 74 12.242 -4.115 0.326 1.00 0.00 H new ATOM 0 HA GLU A 74 14.547 -5.949 0.706 1.00 0.00 H new ATOM 0 HB2 GLU A 74 13.042 -4.290 2.763 1.00 0.00 H new ATOM 0 HB3 GLU A 74 14.539 -5.169 3.001 1.00 0.00 H new ATOM 0 HG2 GLU A 74 14.160 -2.685 1.277 1.00 0.00 H new ATOM 0 HG3 GLU A 74 14.972 -2.761 2.828 1.00 0.00 H new ATOM 1128 N ALA A 75 12.508 -7.665 0.653 1.00 0.00 N ATOM 1129 CA ALA A 75 11.519 -8.733 0.857 1.00 0.00 C ATOM 1130 C ALA A 75 11.941 -9.662 2.021 1.00 0.00 C ATOM 1131 O ALA A 75 13.084 -10.130 2.020 1.00 0.00 O ATOM 1132 CB ALA A 75 11.358 -9.530 -0.440 1.00 0.00 C ATOM 0 H ALA A 75 13.060 -7.773 -0.198 1.00 0.00 H new ATOM 0 HA ALA A 75 10.562 -8.284 1.124 1.00 0.00 H new ATOM 0 HB1 ALA A 75 10.625 -10.323 -0.291 1.00 0.00 H new ATOM 0 HB2 ALA A 75 11.018 -8.866 -1.235 1.00 0.00 H new ATOM 0 HB3 ALA A 75 12.316 -9.969 -0.718 1.00 0.00 H new ATOM 1138 N PRO A 76 11.052 -9.952 3.039 1.00 0.00 N ATOM 1139 CA PRO A 76 9.676 -9.392 3.179 1.00 0.00 C ATOM 1140 C PRO A 76 9.551 -8.240 4.213 1.00 0.00 C ATOM 1141 O PRO A 76 8.441 -7.830 4.555 1.00 0.00 O ATOM 1142 CB PRO A 76 8.919 -10.646 3.663 1.00 0.00 C ATOM 1143 CG PRO A 76 9.898 -11.381 4.551 1.00 0.00 C ATOM 1144 CD PRO A 76 11.302 -10.929 4.133 1.00 0.00 C ATOM 0 HA PRO A 76 9.312 -8.930 2.261 1.00 0.00 H new ATOM 0 HB2 PRO A 76 8.017 -10.374 4.211 1.00 0.00 H new ATOM 0 HB3 PRO A 76 8.607 -11.266 2.823 1.00 0.00 H new ATOM 0 HG2 PRO A 76 9.715 -11.152 5.601 1.00 0.00 H new ATOM 0 HG3 PRO A 76 9.789 -12.459 4.436 1.00 0.00 H new ATOM 0 HD2 PRO A 76 11.838 -10.470 4.964 1.00 0.00 H new ATOM 0 HD3 PRO A 76 11.906 -11.768 3.789 1.00 0.00 H new ATOM 1152 N THR A 77 10.697 -7.718 4.678 1.00 0.00 N ATOM 1153 CA THR A 77 10.774 -6.797 5.823 1.00 0.00 C ATOM 1154 C THR A 77 10.412 -5.336 5.480 1.00 0.00 C ATOM 1155 O THR A 77 10.175 -4.542 6.392 1.00 0.00 O ATOM 1156 CB THR A 77 12.203 -6.874 6.450 1.00 0.00 C ATOM 1157 OG1 THR A 77 13.193 -6.805 5.405 1.00 0.00 O ATOM 1158 CG2 THR A 77 12.401 -8.169 7.256 1.00 0.00 C ATOM 0 H THR A 77 11.606 -7.926 4.265 1.00 0.00 H new ATOM 0 HA THR A 77 10.021 -7.122 6.541 1.00 0.00 H new ATOM 0 HB THR A 77 12.315 -6.031 7.132 1.00 0.00 H new ATOM 0 HG1 THR A 77 14.089 -6.852 5.799 1.00 0.00 H new ATOM 0 HG21 THR A 77 13.407 -8.186 7.676 1.00 0.00 H new ATOM 0 HG22 THR A 77 11.670 -8.211 8.063 1.00 0.00 H new ATOM 0 HG23 THR A 77 12.267 -9.030 6.601 1.00 0.00 H new ATOM 1166 N ARG A 78 10.357 -4.989 4.180 1.00 0.00 N ATOM 1167 CA ARG A 78 10.074 -3.607 3.727 1.00 0.00 C ATOM 1168 C ARG A 78 9.848 -3.571 2.205 1.00 0.00 C ATOM 1169 O ARG A 78 10.448 -4.346 1.459 1.00 0.00 O ATOM 1170 CB ARG A 78 11.249 -2.655 4.108 1.00 0.00 C ATOM 1171 CG ARG A 78 11.009 -1.156 3.820 1.00 0.00 C ATOM 1172 CD ARG A 78 12.242 -0.299 4.125 1.00 0.00 C ATOM 1173 NE ARG A 78 12.691 -0.474 5.518 1.00 0.00 N ATOM 1174 CZ ARG A 78 13.819 0.013 6.049 1.00 0.00 C ATOM 1175 NH1 ARG A 78 14.673 0.711 5.311 1.00 0.00 N ATOM 1176 NH2 ARG A 78 14.087 -0.222 7.315 1.00 0.00 N ATOM 0 H ARG A 78 10.506 -5.650 3.417 1.00 0.00 H new ATOM 0 HA ARG A 78 9.167 -3.267 4.226 1.00 0.00 H new ATOM 0 HB2 ARG A 78 11.460 -2.774 5.171 1.00 0.00 H new ATOM 0 HB3 ARG A 78 12.141 -2.973 3.568 1.00 0.00 H new ATOM 0 HG2 ARG A 78 10.732 -1.030 2.774 1.00 0.00 H new ATOM 0 HG3 ARG A 78 10.168 -0.804 4.417 1.00 0.00 H new ATOM 0 HD2 ARG A 78 13.050 -0.568 3.445 1.00 0.00 H new ATOM 0 HD3 ARG A 78 12.010 0.751 3.946 1.00 0.00 H new ATOM 0 HE ARG A 78 12.086 -1.017 6.134 1.00 0.00 H new ATOM 0 HH11 ARG A 78 14.474 0.883 4.325 1.00 0.00 H new ATOM 0 HH12 ARG A 78 15.529 1.076 5.729 1.00 0.00 H new ATOM 0 HH21 ARG A 78 13.439 -0.770 7.880 1.00 0.00 H new ATOM 0 HH22 ARG A 78 14.943 0.144 7.731 1.00 0.00 H new ATOM 1190 N LEU A 79 8.979 -2.654 1.763 1.00 0.00 N ATOM 1191 CA LEU A 79 8.784 -2.321 0.349 1.00 0.00 C ATOM 1192 C LEU A 79 8.719 -0.797 0.220 1.00 0.00 C ATOM 1193 O LEU A 79 8.057 -0.148 1.013 1.00 0.00 O ATOM 1194 CB LEU A 79 7.499 -2.970 -0.220 1.00 0.00 C ATOM 1195 CG LEU A 79 7.188 -2.653 -1.718 1.00 0.00 C ATOM 1196 CD1 LEU A 79 8.419 -2.936 -2.622 1.00 0.00 C ATOM 1197 CD2 LEU A 79 5.934 -3.420 -2.201 1.00 0.00 C ATOM 0 H LEU A 79 8.382 -2.114 2.390 1.00 0.00 H new ATOM 0 HA LEU A 79 9.619 -2.715 -0.230 1.00 0.00 H new ATOM 0 HB2 LEU A 79 7.578 -4.051 -0.105 1.00 0.00 H new ATOM 0 HB3 LEU A 79 6.652 -2.646 0.385 1.00 0.00 H new ATOM 0 HG LEU A 79 6.969 -1.588 -1.796 1.00 0.00 H new ATOM 0 HD11 LEU A 79 8.170 -2.706 -3.658 1.00 0.00 H new ATOM 0 HD12 LEU A 79 9.255 -2.314 -2.303 1.00 0.00 H new ATOM 0 HD13 LEU A 79 8.696 -3.987 -2.541 1.00 0.00 H new ATOM 0 HD21 LEU A 79 5.741 -3.180 -3.247 1.00 0.00 H new ATOM 0 HD22 LEU A 79 6.102 -4.492 -2.099 1.00 0.00 H new ATOM 0 HD23 LEU A 79 5.074 -3.129 -1.598 1.00 0.00 H new ATOM 1209 N SER A 80 9.403 -0.239 -0.782 1.00 0.00 N ATOM 1210 CA SER A 80 9.459 1.202 -1.021 1.00 0.00 C ATOM 1211 C SER A 80 9.272 1.467 -2.512 1.00 0.00 C ATOM 1212 O SER A 80 9.791 0.719 -3.355 1.00 0.00 O ATOM 1213 CB SER A 80 10.801 1.779 -0.534 1.00 0.00 C ATOM 1214 OG SER A 80 10.799 3.195 -0.584 1.00 0.00 O ATOM 0 H SER A 80 9.939 -0.783 -1.457 1.00 0.00 H new ATOM 0 HA SER A 80 8.662 1.693 -0.463 1.00 0.00 H new ATOM 0 HB2 SER A 80 10.992 1.449 0.487 1.00 0.00 H new ATOM 0 HB3 SER A 80 11.612 1.392 -1.151 1.00 0.00 H new ATOM 0 HG SER A 80 9.876 3.522 -0.558 1.00 0.00 H new ATOM 1220 N PHE A 81 8.523 2.532 -2.818 1.00 0.00 N ATOM 1221 CA PHE A 81 8.186 2.935 -4.177 1.00 0.00 C ATOM 1222 C PHE A 81 7.771 4.409 -4.203 1.00 0.00 C ATOM 1223 O PHE A 81 7.138 4.897 -3.277 1.00 0.00 O ATOM 1224 CB PHE A 81 7.058 2.025 -4.754 1.00 0.00 C ATOM 1225 CG PHE A 81 5.832 1.779 -3.849 1.00 0.00 C ATOM 1226 CD1 PHE A 81 4.716 2.618 -3.885 1.00 0.00 C ATOM 1227 CD2 PHE A 81 5.786 0.679 -2.989 1.00 0.00 C ATOM 1228 CE1 PHE A 81 3.610 2.369 -3.100 1.00 0.00 C ATOM 1229 CE2 PHE A 81 4.675 0.428 -2.205 1.00 0.00 C ATOM 1230 CZ PHE A 81 3.586 1.272 -2.258 1.00 0.00 C ATOM 0 H PHE A 81 8.128 3.148 -2.108 1.00 0.00 H new ATOM 0 HA PHE A 81 9.067 2.817 -4.808 1.00 0.00 H new ATOM 0 HB2 PHE A 81 6.708 2.467 -5.687 1.00 0.00 H new ATOM 0 HB3 PHE A 81 7.496 1.058 -5.004 1.00 0.00 H new ATOM 0 HD1 PHE A 81 4.719 3.477 -4.539 1.00 0.00 H new ATOM 0 HD2 PHE A 81 6.634 0.012 -2.936 1.00 0.00 H new ATOM 0 HE1 PHE A 81 2.759 3.033 -3.143 1.00 0.00 H new ATOM 0 HE2 PHE A 81 4.660 -0.431 -1.550 1.00 0.00 H new ATOM 0 HZ PHE A 81 2.718 1.077 -1.645 1.00 0.00 H new ATOM 1240 N VAL A 82 8.120 5.110 -5.287 1.00 0.00 N ATOM 1241 CA VAL A 82 7.736 6.515 -5.498 1.00 0.00 C ATOM 1242 C VAL A 82 6.718 6.553 -6.631 1.00 0.00 C ATOM 1243 O VAL A 82 6.965 5.993 -7.703 1.00 0.00 O ATOM 1244 CB VAL A 82 8.961 7.451 -5.841 1.00 0.00 C ATOM 1245 CG1 VAL A 82 8.508 8.921 -6.089 1.00 0.00 C ATOM 1246 CG2 VAL A 82 10.032 7.380 -4.726 1.00 0.00 C ATOM 0 H VAL A 82 8.678 4.720 -6.046 1.00 0.00 H new ATOM 0 HA VAL A 82 7.317 6.899 -4.568 1.00 0.00 H new ATOM 0 HB VAL A 82 9.406 7.088 -6.767 1.00 0.00 H new ATOM 0 HG11 VAL A 82 9.378 9.535 -6.322 1.00 0.00 H new ATOM 0 HG12 VAL A 82 7.809 8.950 -6.925 1.00 0.00 H new ATOM 0 HG13 VAL A 82 8.020 9.307 -5.194 1.00 0.00 H new ATOM 0 HG21 VAL A 82 10.867 8.032 -4.982 1.00 0.00 H new ATOM 0 HG22 VAL A 82 9.595 7.703 -3.781 1.00 0.00 H new ATOM 0 HG23 VAL A 82 10.389 6.355 -4.629 1.00 0.00 H new ATOM 1256 N MET A 83 5.584 7.224 -6.389 1.00 0.00 N ATOM 1257 CA MET A 83 4.504 7.337 -7.364 1.00 0.00 C ATOM 1258 C MET A 83 4.795 8.504 -8.318 1.00 0.00 C ATOM 1259 O MET A 83 5.657 9.349 -8.029 1.00 0.00 O ATOM 1260 CB MET A 83 3.131 7.481 -6.656 1.00 0.00 C ATOM 1261 CG MET A 83 2.716 6.242 -5.843 1.00 0.00 C ATOM 1262 SD MET A 83 0.979 6.275 -5.342 1.00 0.00 S ATOM 1263 CE MET A 83 0.884 7.837 -4.470 1.00 0.00 C ATOM 0 H MET A 83 5.395 7.703 -5.508 1.00 0.00 H new ATOM 0 HA MET A 83 4.451 6.424 -7.956 1.00 0.00 H new ATOM 0 HB2 MET A 83 3.164 8.345 -5.992 1.00 0.00 H new ATOM 0 HB3 MET A 83 2.366 7.685 -7.406 1.00 0.00 H new ATOM 0 HG2 MET A 83 2.900 5.346 -6.436 1.00 0.00 H new ATOM 0 HG3 MET A 83 3.343 6.170 -4.955 1.00 0.00 H new ATOM 0 HE1 MET A 83 -0.088 7.924 -3.985 1.00 0.00 H new ATOM 0 HE2 MET A 83 1.671 7.882 -3.717 1.00 0.00 H new ATOM 0 HE3 MET A 83 1.012 8.657 -5.177 1.00 0.00 H new ATOM 1273 N ASP A 84 4.052 8.548 -9.439 1.00 0.00 N ATOM 1274 CA ASP A 84 4.345 9.410 -10.610 1.00 0.00 C ATOM 1275 C ASP A 84 4.357 10.913 -10.264 1.00 0.00 C ATOM 1276 O ASP A 84 5.140 11.686 -10.836 1.00 0.00 O ATOM 1277 CB ASP A 84 3.307 9.130 -11.731 1.00 0.00 C ATOM 1278 CG ASP A 84 3.601 9.902 -13.038 1.00 0.00 C ATOM 1279 OD1 ASP A 84 4.449 9.443 -13.834 1.00 0.00 O ATOM 1280 OD2 ASP A 84 3.005 10.971 -13.270 1.00 0.00 O ATOM 0 H ASP A 84 3.216 7.977 -9.563 1.00 0.00 H new ATOM 0 HA ASP A 84 5.349 9.161 -10.952 1.00 0.00 H new ATOM 0 HB2 ASP A 84 3.291 8.061 -11.944 1.00 0.00 H new ATOM 0 HB3 ASP A 84 2.313 9.399 -11.373 1.00 0.00 H new ATOM 1285 N ASP A 85 3.517 11.308 -9.291 1.00 0.00 N ATOM 1286 CA ASP A 85 3.321 12.725 -8.924 1.00 0.00 C ATOM 1287 C ASP A 85 4.313 13.147 -7.806 1.00 0.00 C ATOM 1288 O ASP A 85 4.132 14.170 -7.133 1.00 0.00 O ATOM 1289 CB ASP A 85 1.837 12.960 -8.508 1.00 0.00 C ATOM 1290 CG ASP A 85 1.405 14.431 -8.619 1.00 0.00 C ATOM 1291 OD1 ASP A 85 1.287 14.932 -9.755 1.00 0.00 O ATOM 1292 OD2 ASP A 85 1.190 15.096 -7.597 1.00 0.00 O ATOM 0 H ASP A 85 2.957 10.659 -8.738 1.00 0.00 H new ATOM 0 HA ASP A 85 3.532 13.354 -9.789 1.00 0.00 H new ATOM 0 HB2 ASP A 85 1.189 12.349 -9.136 1.00 0.00 H new ATOM 0 HB3 ASP A 85 1.696 12.623 -7.481 1.00 0.00 H new ATOM 1297 N GLY A 86 5.378 12.331 -7.628 1.00 0.00 N ATOM 1298 CA GLY A 86 6.488 12.650 -6.725 1.00 0.00 C ATOM 1299 C GLY A 86 6.298 12.138 -5.304 1.00 0.00 C ATOM 1300 O GLY A 86 7.212 12.278 -4.477 1.00 0.00 O ATOM 0 H GLY A 86 5.484 11.438 -8.109 1.00 0.00 H new ATOM 0 HA2 GLY A 86 7.407 12.228 -7.132 1.00 0.00 H new ATOM 0 HA3 GLY A 86 6.620 13.732 -6.696 1.00 0.00 H new ATOM 1304 N ARG A 87 5.117 11.543 -5.015 1.00 0.00 N ATOM 1305 CA ARG A 87 4.796 11.021 -3.675 1.00 0.00 C ATOM 1306 C ARG A 87 5.669 9.800 -3.364 1.00 0.00 C ATOM 1307 O ARG A 87 5.439 8.717 -3.897 1.00 0.00 O ATOM 1308 CB ARG A 87 3.276 10.668 -3.559 1.00 0.00 C ATOM 1309 CG ARG A 87 2.355 11.862 -3.215 1.00 0.00 C ATOM 1310 CD ARG A 87 2.413 13.012 -4.236 1.00 0.00 C ATOM 1311 NE ARG A 87 1.631 14.171 -3.775 1.00 0.00 N ATOM 1312 CZ ARG A 87 1.710 15.410 -4.274 1.00 0.00 C ATOM 1313 NH1 ARG A 87 2.558 15.711 -5.253 1.00 0.00 N ATOM 1314 NH2 ARG A 87 0.957 16.360 -3.767 1.00 0.00 N ATOM 0 H ARG A 87 4.371 11.414 -5.698 1.00 0.00 H new ATOM 0 HA ARG A 87 5.010 11.797 -2.940 1.00 0.00 H new ATOM 0 HB2 ARG A 87 2.946 10.233 -4.502 1.00 0.00 H new ATOM 0 HB3 ARG A 87 3.153 9.901 -2.794 1.00 0.00 H new ATOM 0 HG2 ARG A 87 1.327 11.506 -3.142 1.00 0.00 H new ATOM 0 HG3 ARG A 87 2.629 12.248 -2.233 1.00 0.00 H new ATOM 0 HD2 ARG A 87 3.450 13.309 -4.395 1.00 0.00 H new ATOM 0 HD3 ARG A 87 2.029 12.669 -5.197 1.00 0.00 H new ATOM 0 HE ARG A 87 0.973 14.016 -3.011 1.00 0.00 H new ATOM 0 HH11 ARG A 87 3.167 14.990 -5.640 1.00 0.00 H new ATOM 0 HH12 ARG A 87 2.600 16.663 -5.617 1.00 0.00 H new ATOM 0 HH21 ARG A 87 0.319 16.150 -2.999 1.00 0.00 H new ATOM 0 HH22 ARG A 87 1.011 17.307 -4.141 1.00 0.00 H new ATOM 1328 N GLU A 88 6.660 10.001 -2.487 1.00 0.00 N ATOM 1329 CA GLU A 88 7.587 8.953 -2.060 1.00 0.00 C ATOM 1330 C GLU A 88 6.929 8.142 -0.940 1.00 0.00 C ATOM 1331 O GLU A 88 6.525 8.709 0.078 1.00 0.00 O ATOM 1332 CB GLU A 88 8.922 9.576 -1.583 1.00 0.00 C ATOM 1333 CG GLU A 88 9.607 10.479 -2.632 1.00 0.00 C ATOM 1334 CD GLU A 88 10.950 11.060 -2.158 1.00 0.00 C ATOM 1335 OE1 GLU A 88 11.959 10.330 -2.162 1.00 0.00 O ATOM 1336 OE2 GLU A 88 11.000 12.244 -1.777 1.00 0.00 O ATOM 0 H GLU A 88 6.840 10.905 -2.051 1.00 0.00 H new ATOM 0 HA GLU A 88 7.812 8.293 -2.898 1.00 0.00 H new ATOM 0 HB2 GLU A 88 8.736 10.161 -0.682 1.00 0.00 H new ATOM 0 HB3 GLU A 88 9.607 8.774 -1.307 1.00 0.00 H new ATOM 0 HG2 GLU A 88 9.770 9.904 -3.544 1.00 0.00 H new ATOM 0 HG3 GLU A 88 8.936 11.299 -2.888 1.00 0.00 H new ATOM 1343 N VAL A 89 6.806 6.829 -1.160 1.00 0.00 N ATOM 1344 CA VAL A 89 6.090 5.894 -0.268 1.00 0.00 C ATOM 1345 C VAL A 89 7.079 4.812 0.227 1.00 0.00 C ATOM 1346 O VAL A 89 7.911 4.328 -0.553 1.00 0.00 O ATOM 1347 CB VAL A 89 4.876 5.239 -1.037 1.00 0.00 C ATOM 1348 CG1 VAL A 89 4.075 4.281 -0.138 1.00 0.00 C ATOM 1349 CG2 VAL A 89 3.953 6.325 -1.655 1.00 0.00 C ATOM 0 H VAL A 89 7.208 6.371 -1.978 1.00 0.00 H new ATOM 0 HA VAL A 89 5.693 6.432 0.593 1.00 0.00 H new ATOM 0 HB VAL A 89 5.294 4.646 -1.850 1.00 0.00 H new ATOM 0 HG11 VAL A 89 3.250 3.853 -0.707 1.00 0.00 H new ATOM 0 HG12 VAL A 89 4.727 3.481 0.213 1.00 0.00 H new ATOM 0 HG13 VAL A 89 3.680 4.829 0.717 1.00 0.00 H new ATOM 0 HG21 VAL A 89 3.126 5.845 -2.178 1.00 0.00 H new ATOM 0 HG22 VAL A 89 3.560 6.962 -0.863 1.00 0.00 H new ATOM 0 HG23 VAL A 89 4.524 6.931 -2.358 1.00 0.00 H new ATOM 1359 N ASP A 90 7.010 4.465 1.522 1.00 0.00 N ATOM 1360 CA ASP A 90 7.890 3.468 2.147 1.00 0.00 C ATOM 1361 C ASP A 90 7.110 2.699 3.223 1.00 0.00 C ATOM 1362 O ASP A 90 6.834 3.221 4.308 1.00 0.00 O ATOM 1363 CB ASP A 90 9.139 4.156 2.752 1.00 0.00 C ATOM 1364 CG ASP A 90 10.144 3.152 3.342 1.00 0.00 C ATOM 1365 OD1 ASP A 90 10.986 2.623 2.592 1.00 0.00 O ATOM 1366 OD2 ASP A 90 10.100 2.892 4.559 1.00 0.00 O ATOM 0 H ASP A 90 6.335 4.873 2.169 1.00 0.00 H new ATOM 0 HA ASP A 90 8.231 2.762 1.390 1.00 0.00 H new ATOM 0 HB2 ASP A 90 9.633 4.747 1.980 1.00 0.00 H new ATOM 0 HB3 ASP A 90 8.824 4.850 3.532 1.00 0.00 H new ATOM 1371 N VAL A 91 6.787 1.455 2.894 1.00 0.00 N ATOM 1372 CA VAL A 91 6.004 0.540 3.732 1.00 0.00 C ATOM 1373 C VAL A 91 6.968 -0.382 4.499 1.00 0.00 C ATOM 1374 O VAL A 91 7.716 -1.137 3.884 1.00 0.00 O ATOM 1375 CB VAL A 91 5.028 -0.336 2.846 1.00 0.00 C ATOM 1376 CG1 VAL A 91 3.890 -0.946 3.700 1.00 0.00 C ATOM 1377 CG2 VAL A 91 4.483 0.475 1.641 1.00 0.00 C ATOM 0 H VAL A 91 7.070 1.036 2.008 1.00 0.00 H new ATOM 0 HA VAL A 91 5.404 1.124 4.430 1.00 0.00 H new ATOM 0 HB VAL A 91 5.601 -1.168 2.438 1.00 0.00 H new ATOM 0 HG11 VAL A 91 3.237 -1.542 3.063 1.00 0.00 H new ATOM 0 HG12 VAL A 91 4.318 -1.581 4.476 1.00 0.00 H new ATOM 0 HG13 VAL A 91 3.313 -0.145 4.163 1.00 0.00 H new ATOM 0 HG21 VAL A 91 3.816 -0.154 1.051 1.00 0.00 H new ATOM 0 HG22 VAL A 91 3.935 1.344 2.005 1.00 0.00 H new ATOM 0 HG23 VAL A 91 5.315 0.805 1.019 1.00 0.00 H new ATOM 1387 N GLN A 92 6.932 -0.324 5.830 1.00 0.00 N ATOM 1388 CA GLN A 92 7.780 -1.153 6.707 1.00 0.00 C ATOM 1389 C GLN A 92 6.937 -2.312 7.250 1.00 0.00 C ATOM 1390 O GLN A 92 5.791 -2.107 7.631 1.00 0.00 O ATOM 1391 CB GLN A 92 8.362 -0.299 7.875 1.00 0.00 C ATOM 1392 CG GLN A 92 9.067 -1.109 8.996 1.00 0.00 C ATOM 1393 CD GLN A 92 10.258 -1.942 8.513 1.00 0.00 C ATOM 1394 OE1 GLN A 92 10.990 -1.542 7.618 1.00 0.00 O ATOM 1395 NE2 GLN A 92 10.431 -3.123 9.070 1.00 0.00 N ATOM 0 H GLN A 92 6.310 0.303 6.341 1.00 0.00 H new ATOM 0 HA GLN A 92 8.621 -1.548 6.138 1.00 0.00 H new ATOM 0 HB2 GLN A 92 9.074 0.416 7.462 1.00 0.00 H new ATOM 0 HB3 GLN A 92 7.552 0.279 8.320 1.00 0.00 H new ATOM 0 HG2 GLN A 92 9.409 -0.419 9.767 1.00 0.00 H new ATOM 0 HG3 GLN A 92 8.339 -1.773 9.462 1.00 0.00 H new ATOM 0 HE21 GLN A 92 9.806 -3.432 9.815 1.00 0.00 H new ATOM 0 HE22 GLN A 92 11.190 -3.728 8.757 1.00 0.00 H new ATOM 1404 N PHE A 93 7.512 -3.523 7.249 1.00 0.00 N ATOM 1405 CA PHE A 93 6.881 -4.742 7.787 1.00 0.00 C ATOM 1406 C PHE A 93 7.765 -5.280 8.932 1.00 0.00 C ATOM 1407 O PHE A 93 8.787 -5.929 8.686 1.00 0.00 O ATOM 1408 CB PHE A 93 6.712 -5.809 6.669 1.00 0.00 C ATOM 1409 CG PHE A 93 5.883 -5.346 5.466 1.00 0.00 C ATOM 1410 CD1 PHE A 93 6.484 -4.709 4.378 1.00 0.00 C ATOM 1411 CD2 PHE A 93 4.502 -5.540 5.427 1.00 0.00 C ATOM 1412 CE1 PHE A 93 5.736 -4.286 3.298 1.00 0.00 C ATOM 1413 CE2 PHE A 93 3.753 -5.113 4.343 1.00 0.00 C ATOM 1414 CZ PHE A 93 4.372 -4.489 3.280 1.00 0.00 C ATOM 0 H PHE A 93 8.444 -3.688 6.869 1.00 0.00 H new ATOM 0 HA PHE A 93 5.887 -4.510 8.168 1.00 0.00 H new ATOM 0 HB2 PHE A 93 7.700 -6.109 6.319 1.00 0.00 H new ATOM 0 HB3 PHE A 93 6.243 -6.695 7.098 1.00 0.00 H new ATOM 0 HD1 PHE A 93 7.551 -4.545 4.382 1.00 0.00 H new ATOM 0 HD2 PHE A 93 4.010 -6.030 6.254 1.00 0.00 H new ATOM 0 HE1 PHE A 93 6.219 -3.795 2.466 1.00 0.00 H new ATOM 0 HE2 PHE A 93 2.684 -5.269 4.330 1.00 0.00 H new ATOM 0 HZ PHE A 93 3.788 -4.159 2.433 1.00 0.00 H new ATOM 1424 N ALA A 94 7.395 -4.961 10.182 1.00 0.00 N ATOM 1425 CA ALA A 94 8.191 -5.309 11.374 1.00 0.00 C ATOM 1426 C ALA A 94 7.605 -6.553 12.066 1.00 0.00 C ATOM 1427 O ALA A 94 6.521 -6.488 12.641 1.00 0.00 O ATOM 1428 CB ALA A 94 8.247 -4.115 12.336 1.00 0.00 C ATOM 0 H ALA A 94 6.536 -4.455 10.397 1.00 0.00 H new ATOM 0 HA ALA A 94 9.209 -5.546 11.065 1.00 0.00 H new ATOM 0 HB1 ALA A 94 8.837 -4.382 13.213 1.00 0.00 H new ATOM 0 HB2 ALA A 94 8.708 -3.264 11.834 1.00 0.00 H new ATOM 0 HB3 ALA A 94 7.236 -3.850 12.646 1.00 0.00 H new ATOM 1434 N SER A 95 8.314 -7.690 11.973 1.00 0.00 N ATOM 1435 CA SER A 95 7.916 -8.946 12.630 1.00 0.00 C ATOM 1436 C SER A 95 7.977 -8.813 14.166 1.00 0.00 C ATOM 1437 O SER A 95 8.950 -8.272 14.703 1.00 0.00 O ATOM 1438 CB SER A 95 8.831 -10.093 12.158 1.00 0.00 C ATOM 1439 OG SER A 95 8.872 -10.158 10.744 1.00 0.00 O ATOM 0 H SER A 95 9.180 -7.764 11.440 1.00 0.00 H new ATOM 0 HA SER A 95 6.886 -9.169 12.353 1.00 0.00 H new ATOM 0 HB2 SER A 95 9.838 -9.944 12.548 1.00 0.00 H new ATOM 0 HB3 SER A 95 8.470 -11.040 12.559 1.00 0.00 H new ATOM 0 HG SER A 95 9.460 -10.892 10.467 1.00 0.00 H new ATOM 1445 N GLU A 96 6.929 -9.307 14.846 1.00 0.00 N ATOM 1446 CA GLU A 96 6.804 -9.271 16.316 1.00 0.00 C ATOM 1447 C GLU A 96 6.114 -10.555 16.818 1.00 0.00 C ATOM 1448 O GLU A 96 5.324 -11.153 16.070 1.00 0.00 O ATOM 1449 CB GLU A 96 6.007 -8.014 16.754 1.00 0.00 C ATOM 1450 CG GLU A 96 4.655 -7.849 16.040 1.00 0.00 C ATOM 1451 CD GLU A 96 3.812 -6.695 16.576 1.00 0.00 C ATOM 1452 OE1 GLU A 96 4.175 -5.537 16.343 1.00 0.00 O ATOM 1453 OE2 GLU A 96 2.805 -6.947 17.252 1.00 0.00 O ATOM 0 H GLU A 96 6.133 -9.749 14.386 1.00 0.00 H new ATOM 0 HA GLU A 96 7.799 -9.218 16.757 1.00 0.00 H new ATOM 0 HB2 GLU A 96 5.835 -8.062 17.829 1.00 0.00 H new ATOM 0 HB3 GLU A 96 6.615 -7.128 16.568 1.00 0.00 H new ATOM 0 HG2 GLU A 96 4.833 -7.693 14.976 1.00 0.00 H new ATOM 0 HG3 GLU A 96 4.089 -8.775 16.136 1.00 0.00 H new ATOM 1460 N PRO A 97 6.413 -11.020 18.078 1.00 0.00 N ATOM 1461 CA PRO A 97 5.647 -12.109 18.732 1.00 0.00 C ATOM 1462 C PRO A 97 4.177 -11.677 18.986 1.00 0.00 C ATOM 1463 O PRO A 97 3.826 -11.181 20.060 1.00 0.00 O ATOM 1464 CB PRO A 97 6.433 -12.373 20.047 1.00 0.00 C ATOM 1465 CG PRO A 97 7.190 -11.103 20.303 1.00 0.00 C ATOM 1466 CD PRO A 97 7.543 -10.559 18.939 1.00 0.00 C ATOM 0 HA PRO A 97 5.566 -13.010 18.124 1.00 0.00 H new ATOM 0 HB2 PRO A 97 5.758 -12.604 20.871 1.00 0.00 H new ATOM 0 HB3 PRO A 97 7.109 -13.222 19.940 1.00 0.00 H new ATOM 0 HG2 PRO A 97 6.584 -10.392 20.864 1.00 0.00 H new ATOM 0 HG3 PRO A 97 8.086 -11.293 20.893 1.00 0.00 H new ATOM 0 HD2 PRO A 97 7.623 -9.472 18.949 1.00 0.00 H new ATOM 0 HD3 PRO A 97 8.499 -10.946 18.588 1.00 0.00 H new ATOM 1474 N GLY A 98 3.354 -11.827 17.943 1.00 0.00 N ATOM 1475 CA GLY A 98 1.953 -11.403 17.953 1.00 0.00 C ATOM 1476 C GLY A 98 1.420 -11.236 16.537 1.00 0.00 C ATOM 1477 O GLY A 98 0.330 -11.730 16.210 1.00 0.00 O ATOM 0 H GLY A 98 3.645 -12.250 17.062 1.00 0.00 H new ATOM 0 HA2 GLY A 98 1.351 -12.139 18.487 1.00 0.00 H new ATOM 0 HA3 GLY A 98 1.859 -10.461 18.494 1.00 0.00 H new ATOM 1481 N GLY A 99 2.223 -10.574 15.682 1.00 0.00 N ATOM 1482 CA GLY A 99 1.808 -10.247 14.319 1.00 0.00 C ATOM 1483 C GLY A 99 2.872 -9.468 13.555 1.00 0.00 C ATOM 1484 O GLY A 99 4.044 -9.849 13.577 1.00 0.00 O ATOM 0 H GLY A 99 3.163 -10.258 15.919 1.00 0.00 H new ATOM 0 HA2 GLY A 99 1.580 -11.168 13.781 1.00 0.00 H new ATOM 0 HA3 GLY A 99 0.889 -9.662 14.353 1.00 0.00 H new ATOM 1488 N THR A 100 2.474 -8.359 12.900 1.00 0.00 N ATOM 1489 CA THR A 100 3.356 -7.528 12.063 1.00 0.00 C ATOM 1490 C THR A 100 2.990 -6.040 12.232 1.00 0.00 C ATOM 1491 O THR A 100 1.852 -5.636 11.949 1.00 0.00 O ATOM 1492 CB THR A 100 3.246 -7.916 10.545 1.00 0.00 C ATOM 1493 OG1 THR A 100 3.464 -9.325 10.391 1.00 0.00 O ATOM 1494 CG2 THR A 100 4.264 -7.156 9.673 1.00 0.00 C ATOM 0 H THR A 100 1.516 -8.012 12.940 1.00 0.00 H new ATOM 0 HA THR A 100 4.381 -7.702 12.389 1.00 0.00 H new ATOM 0 HB THR A 100 2.245 -7.641 10.213 1.00 0.00 H new ATOM 0 HG1 THR A 100 2.668 -9.814 10.687 1.00 0.00 H new ATOM 0 HG21 THR A 100 4.149 -7.458 8.632 1.00 0.00 H new ATOM 0 HG22 THR A 100 4.089 -6.084 9.761 1.00 0.00 H new ATOM 0 HG23 THR A 100 5.275 -7.388 10.008 1.00 0.00 H new ATOM 1502 N TRP A 101 3.959 -5.247 12.701 1.00 0.00 N ATOM 1503 CA TRP A 101 3.830 -3.797 12.835 1.00 0.00 C ATOM 1504 C TRP A 101 4.168 -3.133 11.486 1.00 0.00 C ATOM 1505 O TRP A 101 5.344 -2.934 11.149 1.00 0.00 O ATOM 1506 CB TRP A 101 4.777 -3.303 13.956 1.00 0.00 C ATOM 1507 CG TRP A 101 4.556 -1.891 14.436 1.00 0.00 C ATOM 1508 CD1 TRP A 101 3.410 -1.154 14.352 1.00 0.00 C ATOM 1509 CD2 TRP A 101 5.511 -1.068 15.118 1.00 0.00 C ATOM 1510 NE1 TRP A 101 3.591 0.057 14.947 1.00 0.00 N ATOM 1511 CE2 TRP A 101 4.873 0.141 15.418 1.00 0.00 C ATOM 1512 CE3 TRP A 101 6.844 -1.243 15.501 1.00 0.00 C ATOM 1513 CZ2 TRP A 101 5.515 1.176 16.090 1.00 0.00 C ATOM 1514 CZ3 TRP A 101 7.485 -0.216 16.165 1.00 0.00 C ATOM 1515 CH2 TRP A 101 6.821 0.983 16.456 1.00 0.00 C ATOM 0 H TRP A 101 4.867 -5.602 13.002 1.00 0.00 H new ATOM 0 HA TRP A 101 2.809 -3.528 13.105 1.00 0.00 H new ATOM 0 HB2 TRP A 101 4.679 -3.975 14.809 1.00 0.00 H new ATOM 0 HB3 TRP A 101 5.804 -3.388 13.600 1.00 0.00 H new ATOM 0 HD1 TRP A 101 2.495 -1.483 13.883 1.00 0.00 H new ATOM 0 HE1 TRP A 101 2.883 0.787 15.029 1.00 0.00 H new ATOM 0 HE3 TRP A 101 7.363 -2.164 15.282 1.00 0.00 H new ATOM 0 HZ2 TRP A 101 5.002 2.099 16.315 1.00 0.00 H new ATOM 0 HZ3 TRP A 101 8.515 -0.339 16.465 1.00 0.00 H new ATOM 0 HH2 TRP A 101 7.348 1.768 16.978 1.00 0.00 H new ATOM 1526 N VAL A 102 3.122 -2.851 10.698 1.00 0.00 N ATOM 1527 CA VAL A 102 3.258 -2.228 9.377 1.00 0.00 C ATOM 1528 C VAL A 102 3.215 -0.698 9.512 1.00 0.00 C ATOM 1529 O VAL A 102 2.170 -0.118 9.820 1.00 0.00 O ATOM 1530 CB VAL A 102 2.151 -2.735 8.379 1.00 0.00 C ATOM 1531 CG1 VAL A 102 2.312 -2.100 6.971 1.00 0.00 C ATOM 1532 CG2 VAL A 102 2.160 -4.282 8.300 1.00 0.00 C ATOM 0 H VAL A 102 2.156 -3.049 10.960 1.00 0.00 H new ATOM 0 HA VAL A 102 4.223 -2.520 8.962 1.00 0.00 H new ATOM 0 HB VAL A 102 1.183 -2.416 8.765 1.00 0.00 H new ATOM 0 HG11 VAL A 102 1.530 -2.475 6.311 1.00 0.00 H new ATOM 0 HG12 VAL A 102 2.232 -1.016 7.050 1.00 0.00 H new ATOM 0 HG13 VAL A 102 3.288 -2.363 6.563 1.00 0.00 H new ATOM 0 HG21 VAL A 102 1.389 -4.615 7.606 1.00 0.00 H new ATOM 0 HG22 VAL A 102 3.135 -4.623 7.951 1.00 0.00 H new ATOM 0 HG23 VAL A 102 1.963 -4.698 9.288 1.00 0.00 H new ATOM 1542 N GLN A 103 4.378 -0.066 9.279 1.00 0.00 N ATOM 1543 CA GLN A 103 4.554 1.390 9.351 1.00 0.00 C ATOM 1544 C GLN A 103 4.624 1.963 7.929 1.00 0.00 C ATOM 1545 O GLN A 103 5.642 1.821 7.251 1.00 0.00 O ATOM 1546 CB GLN A 103 5.856 1.731 10.117 1.00 0.00 C ATOM 1547 CG GLN A 103 5.851 1.389 11.619 1.00 0.00 C ATOM 1548 CD GLN A 103 7.205 1.659 12.281 1.00 0.00 C ATOM 1549 OE1 GLN A 103 8.252 1.492 11.666 1.00 0.00 O ATOM 1550 NE2 GLN A 103 7.196 2.132 13.505 1.00 0.00 N ATOM 0 H GLN A 103 5.234 -0.562 9.032 1.00 0.00 H new ATOM 0 HA GLN A 103 3.709 1.829 9.881 1.00 0.00 H new ATOM 0 HB2 GLN A 103 6.684 1.202 9.645 1.00 0.00 H new ATOM 0 HB3 GLN A 103 6.054 2.797 10.006 1.00 0.00 H new ATOM 0 HG2 GLN A 103 5.081 1.975 12.120 1.00 0.00 H new ATOM 0 HG3 GLN A 103 5.588 0.339 11.749 1.00 0.00 H new ATOM 0 HE21 GLN A 103 6.311 2.262 13.995 1.00 0.00 H new ATOM 0 HE22 GLN A 103 8.074 2.370 13.966 1.00 0.00 H new ATOM 1559 N GLU A 104 3.542 2.611 7.490 1.00 0.00 N ATOM 1560 CA GLU A 104 3.464 3.242 6.169 1.00 0.00 C ATOM 1561 C GLU A 104 3.871 4.732 6.264 1.00 0.00 C ATOM 1562 O GLU A 104 3.149 5.549 6.837 1.00 0.00 O ATOM 1563 CB GLU A 104 2.028 3.081 5.584 1.00 0.00 C ATOM 1564 CG GLU A 104 1.730 3.886 4.296 1.00 0.00 C ATOM 1565 CD GLU A 104 2.594 3.476 3.087 1.00 0.00 C ATOM 1566 OE1 GLU A 104 3.778 3.900 3.018 1.00 0.00 O ATOM 1567 OE2 GLU A 104 2.094 2.738 2.206 1.00 0.00 O ATOM 0 H GLU A 104 2.691 2.713 8.043 1.00 0.00 H new ATOM 0 HA GLU A 104 4.161 2.748 5.492 1.00 0.00 H new ATOM 0 HB2 GLU A 104 1.857 2.025 5.377 1.00 0.00 H new ATOM 0 HB3 GLU A 104 1.310 3.376 6.349 1.00 0.00 H new ATOM 0 HG2 GLU A 104 0.679 3.762 4.037 1.00 0.00 H new ATOM 0 HG3 GLU A 104 1.885 4.946 4.498 1.00 0.00 H new ATOM 1574 N THR A 105 5.047 5.068 5.720 1.00 0.00 N ATOM 1575 CA THR A 105 5.505 6.456 5.596 1.00 0.00 C ATOM 1576 C THR A 105 5.356 6.870 4.134 1.00 0.00 C ATOM 1577 O THR A 105 6.117 6.434 3.280 1.00 0.00 O ATOM 1578 CB THR A 105 6.987 6.629 6.056 1.00 0.00 C ATOM 1579 OG1 THR A 105 7.134 6.099 7.374 1.00 0.00 O ATOM 1580 CG2 THR A 105 7.438 8.104 6.044 1.00 0.00 C ATOM 0 H THR A 105 5.708 4.384 5.353 1.00 0.00 H new ATOM 0 HA THR A 105 4.900 7.089 6.245 1.00 0.00 H new ATOM 0 HB THR A 105 7.618 6.089 5.350 1.00 0.00 H new ATOM 0 HG1 THR A 105 8.063 6.204 7.667 1.00 0.00 H new ATOM 0 HG21 THR A 105 8.475 8.170 6.372 1.00 0.00 H new ATOM 0 HG22 THR A 105 7.351 8.503 5.033 1.00 0.00 H new ATOM 0 HG23 THR A 105 6.807 8.683 6.718 1.00 0.00 H new ATOM 1588 N PHE A 106 4.378 7.726 3.867 1.00 0.00 N ATOM 1589 CA PHE A 106 3.988 8.131 2.513 1.00 0.00 C ATOM 1590 C PHE A 106 4.083 9.650 2.415 1.00 0.00 C ATOM 1591 O PHE A 106 3.897 10.339 3.426 1.00 0.00 O ATOM 1592 CB PHE A 106 2.529 7.672 2.229 1.00 0.00 C ATOM 1593 CG PHE A 106 1.491 8.246 3.222 1.00 0.00 C ATOM 1594 CD1 PHE A 106 1.243 7.618 4.448 1.00 0.00 C ATOM 1595 CD2 PHE A 106 0.785 9.426 2.941 1.00 0.00 C ATOM 1596 CE1 PHE A 106 0.338 8.142 5.345 1.00 0.00 C ATOM 1597 CE2 PHE A 106 -0.124 9.945 3.845 1.00 0.00 C ATOM 1598 CZ PHE A 106 -0.347 9.302 5.046 1.00 0.00 C ATOM 0 H PHE A 106 3.820 8.170 4.596 1.00 0.00 H new ATOM 0 HA PHE A 106 4.649 7.670 1.779 1.00 0.00 H new ATOM 0 HB2 PHE A 106 2.254 7.970 1.217 1.00 0.00 H new ATOM 0 HB3 PHE A 106 2.487 6.583 2.263 1.00 0.00 H new ATOM 0 HD1 PHE A 106 1.770 6.708 4.695 1.00 0.00 H new ATOM 0 HD2 PHE A 106 0.954 9.937 2.004 1.00 0.00 H new ATOM 0 HE1 PHE A 106 0.164 7.643 6.287 1.00 0.00 H new ATOM 0 HE2 PHE A 106 -0.659 10.853 3.611 1.00 0.00 H new ATOM 0 HZ PHE A 106 -1.057 9.707 5.752 1.00 0.00 H new ATOM 1608 N ASP A 107 4.352 10.183 1.215 1.00 0.00 N ATOM 1609 CA ASP A 107 4.296 11.635 0.988 1.00 0.00 C ATOM 1610 C ASP A 107 2.830 12.026 0.700 1.00 0.00 C ATOM 1611 O ASP A 107 2.081 11.254 0.092 1.00 0.00 O ATOM 1612 CB ASP A 107 5.249 12.084 -0.155 1.00 0.00 C ATOM 1613 CG ASP A 107 5.722 13.543 0.015 1.00 0.00 C ATOM 1614 OD1 ASP A 107 4.895 14.471 -0.106 1.00 0.00 O ATOM 1615 OD2 ASP A 107 6.920 13.765 0.304 1.00 0.00 O ATOM 0 H ASP A 107 4.608 9.637 0.393 1.00 0.00 H new ATOM 0 HA ASP A 107 4.643 12.154 1.882 1.00 0.00 H new ATOM 0 HB2 ASP A 107 6.116 11.424 -0.182 1.00 0.00 H new ATOM 0 HB3 ASP A 107 4.739 11.979 -1.112 1.00 0.00 H new ATOM 1620 N ALA A 108 2.448 13.225 1.141 1.00 0.00 N ATOM 1621 CA ALA A 108 1.053 13.687 1.172 1.00 0.00 C ATOM 1622 C ALA A 108 0.886 14.968 0.346 1.00 0.00 C ATOM 1623 O ALA A 108 1.867 15.660 0.030 1.00 0.00 O ATOM 1624 CB ALA A 108 0.614 13.915 2.630 1.00 0.00 C ATOM 0 H ALA A 108 3.109 13.917 1.494 1.00 0.00 H new ATOM 0 HA ALA A 108 0.417 12.921 0.729 1.00 0.00 H new ATOM 0 HB1 ALA A 108 -0.421 14.257 2.649 1.00 0.00 H new ATOM 0 HB2 ALA A 108 0.697 12.981 3.185 1.00 0.00 H new ATOM 0 HB3 ALA A 108 1.254 14.668 3.089 1.00 0.00 H new ATOM 1630 N GLU A 109 -0.383 15.264 0.015 1.00 0.00 N ATOM 1631 CA GLU A 109 -0.781 16.448 -0.749 1.00 0.00 C ATOM 1632 C GLU A 109 -0.982 17.629 0.219 1.00 0.00 C ATOM 1633 O GLU A 109 -1.849 17.571 1.091 1.00 0.00 O ATOM 1634 CB GLU A 109 -2.081 16.184 -1.578 1.00 0.00 C ATOM 1635 CG GLU A 109 -1.959 15.144 -2.727 1.00 0.00 C ATOM 1636 CD GLU A 109 -1.794 13.681 -2.266 1.00 0.00 C ATOM 1637 OE1 GLU A 109 -0.658 13.229 -2.051 1.00 0.00 O ATOM 1638 OE2 GLU A 109 -2.807 12.972 -2.116 1.00 0.00 O ATOM 0 H GLU A 109 -1.171 14.673 0.278 1.00 0.00 H new ATOM 0 HA GLU A 109 0.009 16.689 -1.460 1.00 0.00 H new ATOM 0 HB2 GLU A 109 -2.862 15.851 -0.895 1.00 0.00 H new ATOM 0 HB3 GLU A 109 -2.414 17.130 -2.005 1.00 0.00 H new ATOM 0 HG2 GLU A 109 -2.847 15.213 -3.356 1.00 0.00 H new ATOM 0 HG3 GLU A 109 -1.106 15.411 -3.350 1.00 0.00 H new ATOM 1645 N THR A 110 -0.154 18.679 0.059 1.00 0.00 N ATOM 1646 CA THR A 110 -0.193 19.904 0.893 1.00 0.00 C ATOM 1647 C THR A 110 -1.340 20.846 0.477 1.00 0.00 C ATOM 1648 O THR A 110 -1.704 21.761 1.226 1.00 0.00 O ATOM 1649 CB THR A 110 1.169 20.664 0.815 1.00 0.00 C ATOM 1650 OG1 THR A 110 1.498 20.947 -0.561 1.00 0.00 O ATOM 1651 CG2 THR A 110 2.307 19.848 1.451 1.00 0.00 C ATOM 0 H THR A 110 0.570 18.705 -0.659 1.00 0.00 H new ATOM 0 HA THR A 110 -0.373 19.588 1.921 1.00 0.00 H new ATOM 0 HB THR A 110 1.060 21.595 1.371 1.00 0.00 H new ATOM 0 HG1 THR A 110 2.352 21.425 -0.601 1.00 0.00 H new ATOM 0 HG21 THR A 110 3.240 20.407 1.379 1.00 0.00 H new ATOM 0 HG22 THR A 110 2.077 19.659 2.500 1.00 0.00 H new ATOM 0 HG23 THR A 110 2.412 18.899 0.926 1.00 0.00 H new ATOM 1659 N SER A 111 -1.883 20.617 -0.735 1.00 0.00 N ATOM 1660 CA SER A 111 -3.103 21.291 -1.211 1.00 0.00 C ATOM 1661 C SER A 111 -4.317 20.796 -0.405 1.00 0.00 C ATOM 1662 O SER A 111 -5.291 21.532 -0.185 1.00 0.00 O ATOM 1663 CB SER A 111 -3.311 21.000 -2.713 1.00 0.00 C ATOM 1664 OG SER A 111 -2.168 21.362 -3.476 1.00 0.00 O ATOM 0 H SER A 111 -1.488 19.961 -1.409 1.00 0.00 H new ATOM 0 HA SER A 111 -2.997 22.367 -1.071 1.00 0.00 H new ATOM 0 HB2 SER A 111 -3.523 19.940 -2.854 1.00 0.00 H new ATOM 0 HB3 SER A 111 -4.180 21.550 -3.074 1.00 0.00 H new ATOM 0 HG SER A 111 -2.330 21.164 -4.422 1.00 0.00 H new ATOM 1670 N HIS A 112 -4.219 19.534 0.041 1.00 0.00 N ATOM 1671 CA HIS A 112 -5.258 18.842 0.807 1.00 0.00 C ATOM 1672 C HIS A 112 -4.907 18.871 2.297 1.00 0.00 C ATOM 1673 O HIS A 112 -3.730 18.987 2.662 1.00 0.00 O ATOM 1674 CB HIS A 112 -5.378 17.385 0.296 1.00 0.00 C ATOM 1675 CG HIS A 112 -5.955 17.263 -1.095 1.00 0.00 C ATOM 1676 ND1 HIS A 112 -7.178 16.690 -1.360 1.00 0.00 N ATOM 1677 CD2 HIS A 112 -5.471 17.648 -2.302 1.00 0.00 C ATOM 1678 CE1 HIS A 112 -7.415 16.728 -2.655 1.00 0.00 C ATOM 1679 NE2 HIS A 112 -6.397 17.305 -3.254 1.00 0.00 N ATOM 0 H HIS A 112 -3.395 18.956 -0.127 1.00 0.00 H new ATOM 0 HA HIS A 112 -6.217 19.342 0.673 1.00 0.00 H new ATOM 0 HB2 HIS A 112 -4.390 16.925 0.309 1.00 0.00 H new ATOM 0 HB3 HIS A 112 -6.003 16.819 0.987 1.00 0.00 H new ATOM 0 HD2 HIS A 112 -4.525 18.137 -2.482 1.00 0.00 H new ATOM 0 HE1 HIS A 112 -8.300 16.348 -3.144 1.00 0.00 H new ATOM 0 HE2 HIS A 112 -6.310 17.470 -4.257 1.00 0.00 H new ATOM 1688 N THR A 113 -5.940 18.772 3.145 1.00 0.00 N ATOM 1689 CA THR A 113 -5.785 18.775 4.601 1.00 0.00 C ATOM 1690 C THR A 113 -5.097 17.470 5.061 1.00 0.00 C ATOM 1691 O THR A 113 -5.549 16.375 4.692 1.00 0.00 O ATOM 1692 CB THR A 113 -7.165 18.946 5.310 1.00 0.00 C ATOM 1693 OG1 THR A 113 -8.086 17.952 4.840 1.00 0.00 O ATOM 1694 CG2 THR A 113 -7.753 20.347 5.058 1.00 0.00 C ATOM 0 H THR A 113 -6.909 18.687 2.837 1.00 0.00 H new ATOM 0 HA THR A 113 -5.159 19.622 4.880 1.00 0.00 H new ATOM 0 HB THR A 113 -7.007 18.825 6.382 1.00 0.00 H new ATOM 0 HG1 THR A 113 -7.602 17.121 4.650 1.00 0.00 H new ATOM 0 HG21 THR A 113 -8.714 20.435 5.565 1.00 0.00 H new ATOM 0 HG22 THR A 113 -7.069 21.103 5.443 1.00 0.00 H new ATOM 0 HG23 THR A 113 -7.893 20.496 3.987 1.00 0.00 H new ATOM 1702 N PRO A 114 -3.950 17.576 5.831 1.00 0.00 N ATOM 1703 CA PRO A 114 -3.170 16.414 6.343 1.00 0.00 C ATOM 1704 C PRO A 114 -4.000 15.398 7.143 1.00 0.00 C ATOM 1705 O PRO A 114 -3.606 14.239 7.249 1.00 0.00 O ATOM 1706 CB PRO A 114 -2.095 17.076 7.240 1.00 0.00 C ATOM 1707 CG PRO A 114 -1.915 18.435 6.651 1.00 0.00 C ATOM 1708 CD PRO A 114 -3.295 18.859 6.223 1.00 0.00 C ATOM 0 HA PRO A 114 -2.769 15.821 5.521 1.00 0.00 H new ATOM 0 HB2 PRO A 114 -2.422 17.132 8.278 1.00 0.00 H new ATOM 0 HB3 PRO A 114 -1.163 16.510 7.229 1.00 0.00 H new ATOM 0 HG2 PRO A 114 -1.497 19.129 7.380 1.00 0.00 H new ATOM 0 HG3 PRO A 114 -1.229 18.411 5.804 1.00 0.00 H new ATOM 0 HD2 PRO A 114 -3.832 19.352 7.033 1.00 0.00 H new ATOM 0 HD3 PRO A 114 -3.259 19.561 5.390 1.00 0.00 H new ATOM 1716 N ALA A 115 -5.111 15.863 7.749 1.00 0.00 N ATOM 1717 CA ALA A 115 -6.122 14.990 8.381 1.00 0.00 C ATOM 1718 C ALA A 115 -6.667 13.943 7.389 1.00 0.00 C ATOM 1719 O ALA A 115 -6.656 12.748 7.681 1.00 0.00 O ATOM 1720 CB ALA A 115 -7.271 15.834 8.963 1.00 0.00 C ATOM 0 H ALA A 115 -5.333 16.856 7.814 1.00 0.00 H new ATOM 0 HA ALA A 115 -5.635 14.451 9.194 1.00 0.00 H new ATOM 0 HB1 ALA A 115 -8.008 15.177 9.425 1.00 0.00 H new ATOM 0 HB2 ALA A 115 -6.875 16.519 9.713 1.00 0.00 H new ATOM 0 HB3 ALA A 115 -7.744 16.404 8.164 1.00 0.00 H new ATOM 1726 N GLN A 116 -7.119 14.418 6.214 1.00 0.00 N ATOM 1727 CA GLN A 116 -7.700 13.562 5.150 1.00 0.00 C ATOM 1728 C GLN A 116 -6.623 12.713 4.461 1.00 0.00 C ATOM 1729 O GLN A 116 -6.902 11.603 4.000 1.00 0.00 O ATOM 1730 CB GLN A 116 -8.450 14.446 4.117 1.00 0.00 C ATOM 1731 CG GLN A 116 -9.669 15.188 4.692 1.00 0.00 C ATOM 1732 CD GLN A 116 -10.771 14.250 5.192 1.00 0.00 C ATOM 1733 OE1 GLN A 116 -10.779 13.836 6.353 1.00 0.00 O ATOM 1734 NE2 GLN A 116 -11.705 13.907 4.325 1.00 0.00 N ATOM 0 H GLN A 116 -7.094 15.408 5.970 1.00 0.00 H new ATOM 0 HA GLN A 116 -8.408 12.874 5.611 1.00 0.00 H new ATOM 0 HB2 GLN A 116 -7.753 15.177 3.707 1.00 0.00 H new ATOM 0 HB3 GLN A 116 -8.778 13.819 3.288 1.00 0.00 H new ATOM 0 HG2 GLN A 116 -9.343 15.824 5.515 1.00 0.00 H new ATOM 0 HG3 GLN A 116 -10.081 15.844 3.925 1.00 0.00 H new ATOM 0 HE21 GLN A 116 -11.672 14.266 3.371 1.00 0.00 H new ATOM 0 HE22 GLN A 116 -12.460 13.283 4.609 1.00 0.00 H new ATOM 1743 N GLN A 117 -5.404 13.260 4.384 1.00 0.00 N ATOM 1744 CA GLN A 117 -4.230 12.562 3.827 1.00 0.00 C ATOM 1745 C GLN A 117 -3.838 11.348 4.687 1.00 0.00 C ATOM 1746 O GLN A 117 -3.707 10.225 4.175 1.00 0.00 O ATOM 1747 CB GLN A 117 -3.054 13.566 3.702 1.00 0.00 C ATOM 1748 CG GLN A 117 -3.288 14.649 2.632 1.00 0.00 C ATOM 1749 CD GLN A 117 -3.402 14.068 1.218 1.00 0.00 C ATOM 1750 OE1 GLN A 117 -4.177 14.534 0.401 1.00 0.00 O ATOM 1751 NE2 GLN A 117 -2.575 13.084 0.903 1.00 0.00 N ATOM 0 H GLN A 117 -5.199 14.205 4.707 1.00 0.00 H new ATOM 0 HA GLN A 117 -4.481 12.179 2.838 1.00 0.00 H new ATOM 0 HB2 GLN A 117 -2.892 14.047 4.667 1.00 0.00 H new ATOM 0 HB3 GLN A 117 -2.142 13.019 3.462 1.00 0.00 H new ATOM 0 HG2 GLN A 117 -4.199 15.198 2.870 1.00 0.00 H new ATOM 0 HG3 GLN A 117 -2.467 15.366 2.661 1.00 0.00 H new ATOM 0 HE21 GLN A 117 -1.936 12.711 1.605 1.00 0.00 H new ATOM 0 HE22 GLN A 117 -2.577 12.699 -0.041 1.00 0.00 H new ATOM 1760 N GLN A 118 -3.668 11.602 5.989 1.00 0.00 N ATOM 1761 CA GLN A 118 -3.311 10.588 6.983 1.00 0.00 C ATOM 1762 C GLN A 118 -4.411 9.521 7.084 1.00 0.00 C ATOM 1763 O GLN A 118 -4.131 8.331 6.990 1.00 0.00 O ATOM 1764 CB GLN A 118 -3.073 11.249 8.365 1.00 0.00 C ATOM 1765 CG GLN A 118 -2.707 10.257 9.481 1.00 0.00 C ATOM 1766 CD GLN A 118 -2.513 10.901 10.850 1.00 0.00 C ATOM 1767 OE1 GLN A 118 -3.113 11.925 11.170 1.00 0.00 O ATOM 1768 NE2 GLN A 118 -1.695 10.290 11.681 1.00 0.00 N ATOM 0 H GLN A 118 -3.777 12.535 6.387 1.00 0.00 H new ATOM 0 HA GLN A 118 -2.388 10.103 6.665 1.00 0.00 H new ATOM 0 HB2 GLN A 118 -2.274 11.985 8.271 1.00 0.00 H new ATOM 0 HB3 GLN A 118 -3.973 11.791 8.656 1.00 0.00 H new ATOM 0 HG2 GLN A 118 -3.491 9.504 9.554 1.00 0.00 H new ATOM 0 HG3 GLN A 118 -1.790 9.737 9.203 1.00 0.00 H new ATOM 0 HE21 GLN A 118 -1.210 9.442 11.388 1.00 0.00 H new ATOM 0 HE22 GLN A 118 -1.546 10.665 12.618 1.00 0.00 H new ATOM 1777 N ALA A 119 -5.666 9.985 7.244 1.00 0.00 N ATOM 1778 CA ALA A 119 -6.850 9.108 7.411 1.00 0.00 C ATOM 1779 C ALA A 119 -7.166 8.323 6.130 1.00 0.00 C ATOM 1780 O ALA A 119 -7.739 7.236 6.201 1.00 0.00 O ATOM 1781 CB ALA A 119 -8.073 9.930 7.856 1.00 0.00 C ATOM 0 H ALA A 119 -5.891 10.980 7.262 1.00 0.00 H new ATOM 0 HA ALA A 119 -6.611 8.382 8.188 1.00 0.00 H new ATOM 0 HB1 ALA A 119 -8.932 9.270 7.973 1.00 0.00 H new ATOM 0 HB2 ALA A 119 -7.857 10.417 8.807 1.00 0.00 H new ATOM 0 HB3 ALA A 119 -8.297 10.686 7.103 1.00 0.00 H new ATOM 1787 N GLY A 120 -6.787 8.895 4.969 1.00 0.00 N ATOM 1788 CA GLY A 120 -7.008 8.268 3.666 1.00 0.00 C ATOM 1789 C GLY A 120 -6.140 7.037 3.477 1.00 0.00 C ATOM 1790 O GLY A 120 -6.644 5.961 3.144 1.00 0.00 O ATOM 0 H GLY A 120 -6.322 9.801 4.917 1.00 0.00 H new ATOM 0 HA2 GLY A 120 -8.058 7.991 3.570 1.00 0.00 H new ATOM 0 HA3 GLY A 120 -6.795 8.988 2.876 1.00 0.00 H new ATOM 1794 N TRP A 121 -4.833 7.199 3.724 1.00 0.00 N ATOM 1795 CA TRP A 121 -3.850 6.106 3.595 1.00 0.00 C ATOM 1796 C TRP A 121 -3.933 5.130 4.765 1.00 0.00 C ATOM 1797 O TRP A 121 -3.671 3.941 4.585 1.00 0.00 O ATOM 1798 CB TRP A 121 -2.426 6.670 3.481 1.00 0.00 C ATOM 1799 CG TRP A 121 -2.124 7.286 2.142 1.00 0.00 C ATOM 1800 CD1 TRP A 121 -2.613 8.458 1.633 1.00 0.00 C ATOM 1801 CD2 TRP A 121 -1.240 6.753 1.149 1.00 0.00 C ATOM 1802 NE1 TRP A 121 -2.080 8.685 0.396 1.00 0.00 N ATOM 1803 CE2 TRP A 121 -1.238 7.653 0.074 1.00 0.00 C ATOM 1804 CE3 TRP A 121 -0.450 5.598 1.073 1.00 0.00 C ATOM 1805 CZ2 TRP A 121 -0.476 7.441 -1.066 1.00 0.00 C ATOM 1806 CZ3 TRP A 121 0.307 5.386 -0.060 1.00 0.00 C ATOM 1807 CH2 TRP A 121 0.291 6.304 -1.118 1.00 0.00 C ATOM 0 H TRP A 121 -4.425 8.086 4.018 1.00 0.00 H new ATOM 0 HA TRP A 121 -4.091 5.559 2.684 1.00 0.00 H new ATOM 0 HB2 TRP A 121 -2.279 7.421 4.258 1.00 0.00 H new ATOM 0 HB3 TRP A 121 -1.711 5.869 3.672 1.00 0.00 H new ATOM 0 HD1 TRP A 121 -3.316 9.107 2.134 1.00 0.00 H new ATOM 0 HE1 TRP A 121 -2.277 9.493 -0.194 1.00 0.00 H new ATOM 0 HE3 TRP A 121 -0.434 4.887 1.886 1.00 0.00 H new ATOM 0 HZ2 TRP A 121 -0.486 8.146 -1.884 1.00 0.00 H new ATOM 0 HZ3 TRP A 121 0.921 4.500 -0.133 1.00 0.00 H new ATOM 0 HH2 TRP A 121 0.895 6.113 -1.993 1.00 0.00 H new ATOM 1818 N GLN A 122 -4.269 5.636 5.967 1.00 0.00 N ATOM 1819 CA GLN A 122 -4.542 4.771 7.139 1.00 0.00 C ATOM 1820 C GLN A 122 -5.878 4.042 6.939 1.00 0.00 C ATOM 1821 O GLN A 122 -6.128 3.011 7.559 1.00 0.00 O ATOM 1822 CB GLN A 122 -4.541 5.586 8.471 1.00 0.00 C ATOM 1823 CG GLN A 122 -4.638 4.733 9.757 1.00 0.00 C ATOM 1824 CD GLN A 122 -3.460 3.757 9.917 1.00 0.00 C ATOM 1825 OE1 GLN A 122 -3.481 2.641 9.413 1.00 0.00 O ATOM 1826 NE2 GLN A 122 -2.440 4.159 10.634 1.00 0.00 N ATOM 0 H GLN A 122 -4.359 6.634 6.155 1.00 0.00 H new ATOM 0 HA GLN A 122 -3.742 4.035 7.218 1.00 0.00 H new ATOM 0 HB2 GLN A 122 -3.629 6.181 8.515 1.00 0.00 H new ATOM 0 HB3 GLN A 122 -5.377 6.285 8.453 1.00 0.00 H new ATOM 0 HG2 GLN A 122 -4.676 5.394 10.623 1.00 0.00 H new ATOM 0 HG3 GLN A 122 -5.571 4.170 9.744 1.00 0.00 H new ATOM 0 HE21 GLN A 122 -2.442 5.092 11.045 1.00 0.00 H new ATOM 0 HE22 GLN A 122 -1.644 3.539 10.781 1.00 0.00 H new ATOM 1835 N GLY A 123 -6.730 4.633 6.083 1.00 0.00 N ATOM 1836 CA GLY A 123 -7.925 3.979 5.573 1.00 0.00 C ATOM 1837 C GLY A 123 -7.585 2.809 4.666 1.00 0.00 C ATOM 1838 O GLY A 123 -8.120 1.728 4.840 1.00 0.00 O ATOM 0 H GLY A 123 -6.599 5.581 5.731 1.00 0.00 H new ATOM 0 HA2 GLY A 123 -8.531 3.627 6.408 1.00 0.00 H new ATOM 0 HA3 GLY A 123 -8.528 4.702 5.023 1.00 0.00 H new ATOM 1842 N ILE A 124 -6.665 3.035 3.709 1.00 0.00 N ATOM 1843 CA ILE A 124 -6.197 1.982 2.772 1.00 0.00 C ATOM 1844 C ILE A 124 -5.488 0.853 3.546 1.00 0.00 C ATOM 1845 O ILE A 124 -5.678 -0.334 3.251 1.00 0.00 O ATOM 1846 CB ILE A 124 -5.237 2.576 1.667 1.00 0.00 C ATOM 1847 CG1 ILE A 124 -5.980 3.684 0.845 1.00 0.00 C ATOM 1848 CG2 ILE A 124 -4.691 1.464 0.726 1.00 0.00 C ATOM 1849 CD1 ILE A 124 -5.151 4.355 -0.235 1.00 0.00 C ATOM 0 H ILE A 124 -6.225 3.943 3.560 1.00 0.00 H new ATOM 0 HA ILE A 124 -7.072 1.572 2.268 1.00 0.00 H new ATOM 0 HB ILE A 124 -4.381 3.025 2.171 1.00 0.00 H new ATOM 0 HG12 ILE A 124 -6.861 3.240 0.381 1.00 0.00 H new ATOM 0 HG13 ILE A 124 -6.335 4.449 1.536 1.00 0.00 H new ATOM 0 HG21 ILE A 124 -4.034 1.910 -0.021 1.00 0.00 H new ATOM 0 HG22 ILE A 124 -4.132 0.734 1.311 1.00 0.00 H new ATOM 0 HG23 ILE A 124 -5.524 0.968 0.228 1.00 0.00 H new ATOM 0 HD11 ILE A 124 -5.756 5.105 -0.745 1.00 0.00 H new ATOM 0 HD12 ILE A 124 -4.284 4.835 0.218 1.00 0.00 H new ATOM 0 HD13 ILE A 124 -4.817 3.607 -0.955 1.00 0.00 H new ATOM 1861 N LEU A 125 -4.709 1.252 4.566 1.00 0.00 N ATOM 1862 CA LEU A 125 -3.975 0.327 5.444 1.00 0.00 C ATOM 1863 C LEU A 125 -4.958 -0.405 6.391 1.00 0.00 C ATOM 1864 O LEU A 125 -4.698 -1.540 6.775 1.00 0.00 O ATOM 1865 CB LEU A 125 -2.873 1.094 6.239 1.00 0.00 C ATOM 1866 CG LEU A 125 -1.923 0.230 7.139 1.00 0.00 C ATOM 1867 CD1 LEU A 125 -1.204 -0.877 6.322 1.00 0.00 C ATOM 1868 CD2 LEU A 125 -0.901 1.127 7.893 1.00 0.00 C ATOM 0 H LEU A 125 -4.571 2.234 4.805 1.00 0.00 H new ATOM 0 HA LEU A 125 -3.478 -0.427 4.834 1.00 0.00 H new ATOM 0 HB2 LEU A 125 -2.259 1.643 5.525 1.00 0.00 H new ATOM 0 HB3 LEU A 125 -3.363 1.833 6.873 1.00 0.00 H new ATOM 0 HG LEU A 125 -2.544 -0.271 7.882 1.00 0.00 H new ATOM 0 HD11 LEU A 125 -0.555 -1.453 6.982 1.00 0.00 H new ATOM 0 HD12 LEU A 125 -1.946 -1.538 5.874 1.00 0.00 H new ATOM 0 HD13 LEU A 125 -0.605 -0.418 5.535 1.00 0.00 H new ATOM 0 HD21 LEU A 125 -0.255 0.503 8.510 1.00 0.00 H new ATOM 0 HD22 LEU A 125 -0.295 1.674 7.171 1.00 0.00 H new ATOM 0 HD23 LEU A 125 -1.436 1.834 8.528 1.00 0.00 H new ATOM 1880 N ASP A 126 -6.066 0.279 6.770 1.00 0.00 N ATOM 1881 CA ASP A 126 -7.197 -0.323 7.522 1.00 0.00 C ATOM 1882 C ASP A 126 -7.861 -1.434 6.704 1.00 0.00 C ATOM 1883 O ASP A 126 -7.987 -2.561 7.182 1.00 0.00 O ATOM 1884 CB ASP A 126 -8.245 0.763 7.916 1.00 0.00 C ATOM 1885 CG ASP A 126 -9.438 0.220 8.715 1.00 0.00 C ATOM 1886 OD1 ASP A 126 -9.314 0.037 9.941 1.00 0.00 O ATOM 1887 OD2 ASP A 126 -10.499 -0.041 8.118 1.00 0.00 O ATOM 0 H ASP A 126 -6.201 1.268 6.562 1.00 0.00 H new ATOM 0 HA ASP A 126 -6.797 -0.760 8.437 1.00 0.00 H new ATOM 0 HB2 ASP A 126 -7.749 1.535 8.504 1.00 0.00 H new ATOM 0 HB3 ASP A 126 -8.616 1.241 7.009 1.00 0.00 H new ATOM 1892 N ASN A 127 -8.249 -1.104 5.453 1.00 0.00 N ATOM 1893 CA ASN A 127 -8.925 -2.052 4.533 1.00 0.00 C ATOM 1894 C ASN A 127 -8.015 -3.238 4.219 1.00 0.00 C ATOM 1895 O ASN A 127 -8.498 -4.351 4.077 1.00 0.00 O ATOM 1896 CB ASN A 127 -9.377 -1.361 3.212 1.00 0.00 C ATOM 1897 CG ASN A 127 -10.614 -0.469 3.384 1.00 0.00 C ATOM 1898 OD1 ASN A 127 -11.743 -0.932 3.290 1.00 0.00 O ATOM 1899 ND2 ASN A 127 -10.424 0.804 3.621 1.00 0.00 N ATOM 0 H ASN A 127 -8.104 -0.178 5.051 1.00 0.00 H new ATOM 0 HA ASN A 127 -9.819 -2.411 5.042 1.00 0.00 H new ATOM 0 HB2 ASN A 127 -8.555 -0.759 2.826 1.00 0.00 H new ATOM 0 HB3 ASN A 127 -9.590 -2.126 2.465 1.00 0.00 H new ATOM 0 HD21 ASN A 127 -11.224 1.427 3.730 1.00 0.00 H new ATOM 0 HD22 ASN A 127 -9.476 1.173 3.696 1.00 0.00 H new ATOM 1906 N PHE A 128 -6.706 -2.966 4.116 1.00 0.00 N ATOM 1907 CA PHE A 128 -5.673 -3.993 3.945 1.00 0.00 C ATOM 1908 C PHE A 128 -5.628 -4.911 5.180 1.00 0.00 C ATOM 1909 O PHE A 128 -5.778 -6.121 5.058 1.00 0.00 O ATOM 1910 CB PHE A 128 -4.293 -3.318 3.708 1.00 0.00 C ATOM 1911 CG PHE A 128 -3.090 -4.272 3.726 1.00 0.00 C ATOM 1912 CD1 PHE A 128 -2.996 -5.319 2.813 1.00 0.00 C ATOM 1913 CD2 PHE A 128 -2.057 -4.111 4.646 1.00 0.00 C ATOM 1914 CE1 PHE A 128 -1.913 -6.169 2.817 1.00 0.00 C ATOM 1915 CE2 PHE A 128 -0.976 -4.962 4.652 1.00 0.00 C ATOM 1916 CZ PHE A 128 -0.902 -5.989 3.737 1.00 0.00 C ATOM 0 H PHE A 128 -6.333 -2.017 4.150 1.00 0.00 H new ATOM 0 HA PHE A 128 -5.914 -4.604 3.075 1.00 0.00 H new ATOM 0 HB2 PHE A 128 -4.317 -2.806 2.746 1.00 0.00 H new ATOM 0 HB3 PHE A 128 -4.143 -2.555 4.472 1.00 0.00 H new ATOM 0 HD1 PHE A 128 -3.785 -5.467 2.090 1.00 0.00 H new ATOM 0 HD2 PHE A 128 -2.105 -3.307 5.365 1.00 0.00 H new ATOM 0 HE1 PHE A 128 -1.855 -6.975 2.101 1.00 0.00 H new ATOM 0 HE2 PHE A 128 -0.185 -4.825 5.374 1.00 0.00 H new ATOM 0 HZ PHE A 128 -0.051 -6.654 3.740 1.00 0.00 H new ATOM 1926 N LYS A 129 -5.454 -4.289 6.356 1.00 0.00 N ATOM 1927 CA LYS A 129 -5.247 -4.971 7.642 1.00 0.00 C ATOM 1928 C LYS A 129 -6.389 -5.948 7.961 1.00 0.00 C ATOM 1929 O LYS A 129 -6.158 -7.155 8.069 1.00 0.00 O ATOM 1930 CB LYS A 129 -5.110 -3.910 8.766 1.00 0.00 C ATOM 1931 CG LYS A 129 -5.052 -4.490 10.186 1.00 0.00 C ATOM 1932 CD LYS A 129 -4.811 -3.411 11.256 1.00 0.00 C ATOM 1933 CE LYS A 129 -4.815 -3.995 12.666 1.00 0.00 C ATOM 1934 NZ LYS A 129 -6.104 -4.647 12.992 1.00 0.00 N ATOM 0 H LYS A 129 -5.453 -3.273 6.441 1.00 0.00 H new ATOM 0 HA LYS A 129 -4.332 -5.559 7.576 1.00 0.00 H new ATOM 0 HB2 LYS A 129 -4.207 -3.326 8.589 1.00 0.00 H new ATOM 0 HB3 LYS A 129 -5.953 -3.221 8.703 1.00 0.00 H new ATOM 0 HG2 LYS A 129 -5.987 -5.008 10.401 1.00 0.00 H new ATOM 0 HG3 LYS A 129 -4.256 -5.233 10.239 1.00 0.00 H new ATOM 0 HD2 LYS A 129 -3.855 -2.922 11.069 1.00 0.00 H new ATOM 0 HD3 LYS A 129 -5.582 -2.645 11.179 1.00 0.00 H new ATOM 0 HE2 LYS A 129 -4.007 -4.721 12.760 1.00 0.00 H new ATOM 0 HE3 LYS A 129 -4.617 -3.202 13.387 1.00 0.00 H new ATOM 0 HZ1 LYS A 129 -6.414 -4.349 13.939 1.00 0.00 H new ATOM 0 HZ2 LYS A 129 -6.820 -4.371 12.290 1.00 0.00 H new ATOM 0 HZ3 LYS A 129 -5.984 -5.680 12.976 1.00 0.00 H new ATOM 1948 N ARG A 130 -7.623 -5.412 8.060 1.00 0.00 N ATOM 1949 CA ARG A 130 -8.816 -6.201 8.430 1.00 0.00 C ATOM 1950 C ARG A 130 -9.109 -7.292 7.386 1.00 0.00 C ATOM 1951 O ARG A 130 -9.695 -8.313 7.717 1.00 0.00 O ATOM 1952 CB ARG A 130 -10.052 -5.266 8.675 1.00 0.00 C ATOM 1953 CG ARG A 130 -10.510 -4.364 7.489 1.00 0.00 C ATOM 1954 CD ARG A 130 -11.392 -5.076 6.451 1.00 0.00 C ATOM 1955 NE ARG A 130 -11.765 -4.184 5.345 1.00 0.00 N ATOM 1956 CZ ARG A 130 -11.915 -4.554 4.077 1.00 0.00 C ATOM 1957 NH1 ARG A 130 -11.715 -5.804 3.689 1.00 0.00 N ATOM 1958 NH2 ARG A 130 -12.254 -3.653 3.188 1.00 0.00 N ATOM 0 H ARG A 130 -7.820 -4.426 7.887 1.00 0.00 H new ATOM 0 HA ARG A 130 -8.608 -6.712 9.370 1.00 0.00 H new ATOM 0 HB2 ARG A 130 -10.895 -5.891 8.969 1.00 0.00 H new ATOM 0 HB3 ARG A 130 -9.824 -4.620 9.522 1.00 0.00 H new ATOM 0 HG2 ARG A 130 -11.058 -3.511 7.889 1.00 0.00 H new ATOM 0 HG3 ARG A 130 -9.627 -3.969 6.987 1.00 0.00 H new ATOM 0 HD2 ARG A 130 -10.861 -5.942 6.056 1.00 0.00 H new ATOM 0 HD3 ARG A 130 -12.294 -5.450 6.936 1.00 0.00 H new ATOM 0 HE ARG A 130 -11.922 -3.201 5.568 1.00 0.00 H new ATOM 0 HH11 ARG A 130 -11.438 -6.511 4.370 1.00 0.00 H new ATOM 0 HH12 ARG A 130 -11.837 -6.060 2.709 1.00 0.00 H new ATOM 0 HH21 ARG A 130 -12.399 -2.684 3.473 1.00 0.00 H new ATOM 0 HH22 ARG A 130 -12.373 -3.920 2.211 1.00 0.00 H new ATOM 1972 N TYR A 131 -8.689 -7.043 6.124 1.00 0.00 N ATOM 1973 CA TYR A 131 -8.860 -7.993 5.017 1.00 0.00 C ATOM 1974 C TYR A 131 -7.950 -9.214 5.199 1.00 0.00 C ATOM 1975 O TYR A 131 -8.393 -10.342 5.038 1.00 0.00 O ATOM 1976 CB TYR A 131 -8.569 -7.299 3.666 1.00 0.00 C ATOM 1977 CG TYR A 131 -8.746 -8.192 2.436 1.00 0.00 C ATOM 1978 CD1 TYR A 131 -10.022 -8.561 2.003 1.00 0.00 C ATOM 1979 CD2 TYR A 131 -7.646 -8.674 1.712 1.00 0.00 C ATOM 1980 CE1 TYR A 131 -10.187 -9.377 0.912 1.00 0.00 C ATOM 1981 CE2 TYR A 131 -7.817 -9.492 0.625 1.00 0.00 C ATOM 1982 CZ TYR A 131 -9.084 -9.832 0.229 1.00 0.00 C ATOM 1983 OH TYR A 131 -9.249 -10.651 -0.846 1.00 0.00 O ATOM 0 H TYR A 131 -8.224 -6.177 5.852 1.00 0.00 H new ATOM 0 HA TYR A 131 -9.894 -8.338 5.018 1.00 0.00 H new ATOM 0 HB2 TYR A 131 -9.226 -6.435 3.568 1.00 0.00 H new ATOM 0 HB3 TYR A 131 -7.546 -6.922 3.680 1.00 0.00 H new ATOM 0 HD1 TYR A 131 -10.890 -8.199 2.534 1.00 0.00 H new ATOM 0 HD2 TYR A 131 -6.647 -8.396 2.016 1.00 0.00 H new ATOM 0 HE1 TYR A 131 -11.179 -9.660 0.591 1.00 0.00 H new ATOM 0 HE2 TYR A 131 -6.960 -9.866 0.085 1.00 0.00 H new ATOM 0 HH TYR A 131 -10.102 -10.449 -1.283 1.00 0.00 H new ATOM 1993 N VAL A 132 -6.678 -8.948 5.533 1.00 0.00 N ATOM 1994 CA VAL A 132 -5.648 -9.986 5.743 1.00 0.00 C ATOM 1995 C VAL A 132 -6.008 -10.873 6.957 1.00 0.00 C ATOM 1996 O VAL A 132 -5.857 -12.105 6.912 1.00 0.00 O ATOM 1997 CB VAL A 132 -4.230 -9.314 5.937 1.00 0.00 C ATOM 1998 CG1 VAL A 132 -3.128 -10.331 6.309 1.00 0.00 C ATOM 1999 CG2 VAL A 132 -3.834 -8.529 4.670 1.00 0.00 C ATOM 0 H VAL A 132 -6.329 -7.999 5.667 1.00 0.00 H new ATOM 0 HA VAL A 132 -5.610 -10.624 4.860 1.00 0.00 H new ATOM 0 HB VAL A 132 -4.318 -8.627 6.779 1.00 0.00 H new ATOM 0 HG11 VAL A 132 -2.178 -9.810 6.429 1.00 0.00 H new ATOM 0 HG12 VAL A 132 -3.391 -10.827 7.244 1.00 0.00 H new ATOM 0 HG13 VAL A 132 -3.037 -11.075 5.517 1.00 0.00 H new ATOM 0 HG21 VAL A 132 -2.856 -8.071 4.817 1.00 0.00 H new ATOM 0 HG22 VAL A 132 -3.793 -9.209 3.819 1.00 0.00 H new ATOM 0 HG23 VAL A 132 -4.573 -7.751 4.478 1.00 0.00 H new ATOM 2009 N GLU A 133 -6.520 -10.220 8.010 1.00 0.00 N ATOM 2010 CA GLU A 133 -6.908 -10.871 9.275 1.00 0.00 C ATOM 2011 C GLU A 133 -8.207 -11.684 9.119 1.00 0.00 C ATOM 2012 O GLU A 133 -8.314 -12.795 9.651 1.00 0.00 O ATOM 2013 CB GLU A 133 -7.074 -9.795 10.373 1.00 0.00 C ATOM 2014 CG GLU A 133 -5.788 -8.994 10.660 1.00 0.00 C ATOM 2015 CD GLU A 133 -6.009 -7.766 11.559 1.00 0.00 C ATOM 2016 OE1 GLU A 133 -7.046 -7.087 11.423 1.00 0.00 O ATOM 2017 OE2 GLU A 133 -5.136 -7.451 12.379 1.00 0.00 O ATOM 0 H GLU A 133 -6.679 -9.213 8.010 1.00 0.00 H new ATOM 0 HA GLU A 133 -6.121 -11.569 9.560 1.00 0.00 H new ATOM 0 HB2 GLU A 133 -7.862 -9.104 10.075 1.00 0.00 H new ATOM 0 HB3 GLU A 133 -7.404 -10.277 11.294 1.00 0.00 H new ATOM 0 HG2 GLU A 133 -5.059 -9.652 11.133 1.00 0.00 H new ATOM 0 HG3 GLU A 133 -5.356 -8.667 9.714 1.00 0.00 H new ATOM 2024 N ALA A 134 -9.178 -11.133 8.360 1.00 0.00 N ATOM 2025 CA ALA A 134 -10.495 -11.784 8.135 1.00 0.00 C ATOM 2026 C ALA A 134 -10.383 -12.884 7.070 1.00 0.00 C ATOM 2027 O ALA A 134 -11.201 -13.809 7.040 1.00 0.00 O ATOM 2028 CB ALA A 134 -11.555 -10.758 7.728 1.00 0.00 C ATOM 0 H ALA A 134 -9.077 -10.234 7.889 1.00 0.00 H new ATOM 0 HA ALA A 134 -10.805 -12.240 9.075 1.00 0.00 H new ATOM 0 HB1 ALA A 134 -12.508 -11.263 7.570 1.00 0.00 H new ATOM 0 HB2 ALA A 134 -11.664 -10.015 8.518 1.00 0.00 H new ATOM 0 HB3 ALA A 134 -11.249 -10.265 6.806 1.00 0.00 H new ATOM 2034 N ALA A 135 -9.369 -12.762 6.188 1.00 0.00 N ATOM 2035 CA ALA A 135 -9.014 -13.819 5.222 1.00 0.00 C ATOM 2036 C ALA A 135 -8.367 -14.988 5.964 1.00 0.00 C ATOM 2037 O ALA A 135 -8.578 -16.145 5.611 1.00 0.00 O ATOM 2038 CB ALA A 135 -8.075 -13.281 4.126 1.00 0.00 C ATOM 0 H ALA A 135 -8.778 -11.933 6.126 1.00 0.00 H new ATOM 0 HA ALA A 135 -9.923 -14.164 4.730 1.00 0.00 H new ATOM 0 HB1 ALA A 135 -7.831 -14.083 3.430 1.00 0.00 H new ATOM 0 HB2 ALA A 135 -8.569 -12.472 3.589 1.00 0.00 H new ATOM 0 HB3 ALA A 135 -7.159 -12.907 4.583 1.00 0.00 H new ATOM 2044 N GLY A 136 -7.562 -14.658 6.993 1.00 0.00 N ATOM 2045 CA GLY A 136 -6.907 -15.657 7.844 1.00 0.00 C ATOM 2046 C GLY A 136 -5.562 -16.101 7.291 1.00 0.00 C ATOM 2047 O GLY A 136 -4.599 -16.211 8.045 1.00 0.00 O ATOM 0 H GLY A 136 -7.351 -13.694 7.253 1.00 0.00 H new ATOM 0 HA2 GLY A 136 -6.767 -15.243 8.843 1.00 0.00 H new ATOM 0 HA3 GLY A 136 -7.558 -16.525 7.947 1.00 0.00 H new ATOM 2051 N LEU A 137 -5.545 -16.382 5.960 1.00 0.00 N ATOM 2052 CA LEU A 137 -4.357 -16.803 5.194 1.00 0.00 C ATOM 2053 C LEU A 137 -3.714 -18.040 5.844 1.00 0.00 C ATOM 2054 O LEU A 137 -2.881 -17.916 6.754 1.00 0.00 O ATOM 2055 CB LEU A 137 -3.366 -15.618 5.004 1.00 0.00 C ATOM 2056 CG LEU A 137 -3.962 -14.343 4.303 1.00 0.00 C ATOM 2057 CD1 LEU A 137 -2.880 -13.275 4.029 1.00 0.00 C ATOM 2058 CD2 LEU A 137 -4.732 -14.710 3.008 1.00 0.00 C ATOM 0 H LEU A 137 -6.383 -16.318 5.382 1.00 0.00 H new ATOM 0 HA LEU A 137 -4.662 -17.100 4.191 1.00 0.00 H new ATOM 0 HB2 LEU A 137 -2.982 -15.328 5.982 1.00 0.00 H new ATOM 0 HB3 LEU A 137 -2.516 -15.969 4.419 1.00 0.00 H new ATOM 0 HG LEU A 137 -4.678 -13.906 4.999 1.00 0.00 H new ATOM 0 HD11 LEU A 137 -3.336 -12.412 3.544 1.00 0.00 H new ATOM 0 HD12 LEU A 137 -2.428 -12.965 4.971 1.00 0.00 H new ATOM 0 HD13 LEU A 137 -2.112 -13.694 3.378 1.00 0.00 H new ATOM 0 HD21 LEU A 137 -5.129 -13.803 2.552 1.00 0.00 H new ATOM 0 HD22 LEU A 137 -4.055 -15.201 2.309 1.00 0.00 H new ATOM 0 HD23 LEU A 137 -5.554 -15.384 3.252 1.00 0.00 H new ATOM 2070 N GLU A 138 -4.154 -19.225 5.376 1.00 0.00 N ATOM 2071 CA GLU A 138 -3.949 -20.499 6.073 1.00 0.00 C ATOM 2072 C GLU A 138 -2.467 -20.836 6.333 1.00 0.00 C ATOM 2073 O GLU A 138 -1.709 -21.173 5.420 1.00 0.00 O ATOM 2074 CB GLU A 138 -4.678 -21.646 5.328 1.00 0.00 C ATOM 2075 CG GLU A 138 -6.209 -21.448 5.198 1.00 0.00 C ATOM 2076 CD GLU A 138 -6.877 -21.077 6.536 1.00 0.00 C ATOM 2077 OE1 GLU A 138 -7.098 -21.975 7.371 1.00 0.00 O ATOM 2078 OE2 GLU A 138 -7.168 -19.877 6.769 1.00 0.00 O ATOM 0 H GLU A 138 -4.664 -19.320 4.498 1.00 0.00 H new ATOM 0 HA GLU A 138 -4.390 -20.386 7.063 1.00 0.00 H new ATOM 0 HB2 GLU A 138 -4.250 -21.746 4.330 1.00 0.00 H new ATOM 0 HB3 GLU A 138 -4.487 -22.583 5.852 1.00 0.00 H new ATOM 0 HG2 GLU A 138 -6.409 -20.664 4.467 1.00 0.00 H new ATOM 0 HG3 GLU A 138 -6.658 -22.364 4.814 1.00 0.00 H new ATOM 2085 N HIS A 139 -2.077 -20.684 7.608 1.00 0.00 N ATOM 2086 CA HIS A 139 -0.792 -21.159 8.144 1.00 0.00 C ATOM 2087 C HIS A 139 -1.058 -21.965 9.434 1.00 0.00 C ATOM 2088 O HIS A 139 -0.165 -22.131 10.270 1.00 0.00 O ATOM 2089 CB HIS A 139 0.171 -19.961 8.399 1.00 0.00 C ATOM 2090 CG HIS A 139 -0.297 -18.955 9.425 1.00 0.00 C ATOM 2091 ND1 HIS A 139 -1.105 -17.885 9.116 1.00 0.00 N ATOM 2092 CD2 HIS A 139 -0.040 -18.847 10.751 1.00 0.00 C ATOM 2093 CE1 HIS A 139 -1.317 -17.169 10.198 1.00 0.00 C ATOM 2094 NE2 HIS A 139 -0.686 -17.727 11.203 1.00 0.00 N ATOM 0 H HIS A 139 -2.656 -20.219 8.308 1.00 0.00 H new ATOM 0 HA HIS A 139 -0.303 -21.810 7.419 1.00 0.00 H new ATOM 0 HB2 HIS A 139 1.136 -20.355 8.717 1.00 0.00 H new ATOM 0 HB3 HIS A 139 0.334 -19.441 7.455 1.00 0.00 H new ATOM 0 HD1 HIS A 139 -1.481 -17.679 8.191 1.00 0.00 H new ATOM 0 HD2 HIS A 139 0.563 -19.520 11.342 1.00 0.00 H new ATOM 0 HE1 HIS A 139 -1.913 -16.270 10.250 1.00 0.00 H new ATOM 2103 N HIS A 140 -2.302 -22.468 9.577 1.00 0.00 N ATOM 2104 CA HIS A 140 -2.746 -23.225 10.758 1.00 0.00 C ATOM 2105 C HIS A 140 -3.058 -24.673 10.370 1.00 0.00 C ATOM 2106 O HIS A 140 -3.451 -24.942 9.229 1.00 0.00 O ATOM 2107 CB HIS A 140 -3.995 -22.566 11.400 1.00 0.00 C ATOM 2108 CG HIS A 140 -3.720 -21.256 12.093 1.00 0.00 C ATOM 2109 ND1 HIS A 140 -3.768 -21.104 13.459 1.00 0.00 N ATOM 2110 CD2 HIS A 140 -3.396 -20.040 11.603 1.00 0.00 C ATOM 2111 CE1 HIS A 140 -3.488 -19.854 13.770 1.00 0.00 C ATOM 2112 NE2 HIS A 140 -3.258 -19.185 12.663 1.00 0.00 N ATOM 0 H HIS A 140 -3.029 -22.358 8.870 1.00 0.00 H new ATOM 0 HA HIS A 140 -1.939 -23.218 11.491 1.00 0.00 H new ATOM 0 HB2 HIS A 140 -4.744 -22.403 10.625 1.00 0.00 H new ATOM 0 HB3 HIS A 140 -4.428 -23.260 12.120 1.00 0.00 H new ATOM 0 HD2 HIS A 140 -3.269 -19.787 10.561 1.00 0.00 H new ATOM 0 HE1 HIS A 140 -3.453 -19.447 14.770 1.00 0.00 H new ATOM 0 HE2 HIS A 140 -3.017 -18.196 12.603 1.00 0.00 H new ATOM 2121 N HIS A 141 -2.871 -25.605 11.330 1.00 0.00 N ATOM 2122 CA HIS A 141 -3.208 -27.030 11.144 1.00 0.00 C ATOM 2123 C HIS A 141 -4.744 -27.212 11.248 1.00 0.00 C ATOM 2124 O HIS A 141 -5.291 -27.456 12.321 1.00 0.00 O ATOM 2125 CB HIS A 141 -2.403 -27.929 12.139 1.00 0.00 C ATOM 2126 CG HIS A 141 -2.501 -27.573 13.610 1.00 0.00 C ATOM 2127 ND1 HIS A 141 -1.656 -26.676 14.222 1.00 0.00 N ATOM 2128 CD2 HIS A 141 -3.324 -28.029 14.591 1.00 0.00 C ATOM 2129 CE1 HIS A 141 -1.949 -26.596 15.507 1.00 0.00 C ATOM 2130 NE2 HIS A 141 -2.955 -27.402 15.759 1.00 0.00 N ATOM 0 H HIS A 141 -2.485 -25.391 12.249 1.00 0.00 H new ATOM 0 HA HIS A 141 -2.910 -27.358 10.148 1.00 0.00 H new ATOM 0 HB2 HIS A 141 -2.738 -28.959 12.015 1.00 0.00 H new ATOM 0 HB3 HIS A 141 -1.352 -27.899 11.851 1.00 0.00 H new ATOM 0 HD2 HIS A 141 -4.120 -28.750 14.475 1.00 0.00 H new ATOM 0 HE1 HIS A 141 -1.445 -25.972 16.230 1.00 0.00 H new ATOM 0 HE2 HIS A 141 -3.391 -27.540 16.671 1.00 0.00 H new ATOM 2139 N HIS A 142 -5.430 -27.016 10.109 1.00 0.00 N ATOM 2140 CA HIS A 142 -6.910 -26.925 10.051 1.00 0.00 C ATOM 2141 C HIS A 142 -7.529 -28.018 9.161 1.00 0.00 C ATOM 2142 O HIS A 142 -8.755 -28.017 8.978 1.00 0.00 O ATOM 2143 CB HIS A 142 -7.327 -25.516 9.537 1.00 0.00 C ATOM 2144 CG HIS A 142 -7.110 -25.283 8.054 1.00 0.00 C ATOM 2145 ND1 HIS A 142 -8.150 -25.173 7.161 1.00 0.00 N ATOM 2146 CD2 HIS A 142 -5.976 -25.150 7.318 1.00 0.00 C ATOM 2147 CE1 HIS A 142 -7.675 -24.987 5.949 1.00 0.00 C ATOM 2148 NE2 HIS A 142 -6.362 -24.971 6.013 1.00 0.00 N ATOM 0 H HIS A 142 -4.980 -26.915 9.199 1.00 0.00 H new ATOM 0 HA HIS A 142 -7.290 -27.080 11.061 1.00 0.00 H new ATOM 0 HB2 HIS A 142 -8.382 -25.361 9.763 1.00 0.00 H new ATOM 0 HB3 HIS A 142 -6.768 -24.763 10.093 1.00 0.00 H new ATOM 0 HD2 HIS A 142 -4.962 -25.180 7.689 1.00 0.00 H new ATOM 0 HE1 HIS A 142 -8.264 -24.867 5.052 1.00 0.00 H new ATOM 0 HE2 HIS A 142 -5.732 -24.846 5.221 1.00 0.00 H new ATOM 2157 N HIS A 143 -6.674 -28.935 8.617 1.00 0.00 N ATOM 2158 CA HIS A 143 -7.040 -30.013 7.644 1.00 0.00 C ATOM 2159 C HIS A 143 -7.916 -29.499 6.457 1.00 0.00 C ATOM 2160 O HIS A 143 -7.951 -28.293 6.192 1.00 0.00 O ATOM 2161 CB HIS A 143 -7.644 -31.273 8.359 1.00 0.00 C ATOM 2162 CG HIS A 143 -8.899 -31.050 9.163 1.00 0.00 C ATOM 2163 ND1 HIS A 143 -10.141 -30.898 8.599 1.00 0.00 N ATOM 2164 CD2 HIS A 143 -9.088 -30.947 10.505 1.00 0.00 C ATOM 2165 CE1 HIS A 143 -11.034 -30.718 9.551 1.00 0.00 C ATOM 2166 NE2 HIS A 143 -10.425 -30.739 10.714 1.00 0.00 N ATOM 0 H HIS A 143 -5.681 -28.945 8.850 1.00 0.00 H new ATOM 0 HA HIS A 143 -6.107 -30.340 7.185 1.00 0.00 H new ATOM 0 HB2 HIS A 143 -7.853 -32.028 7.601 1.00 0.00 H new ATOM 0 HB3 HIS A 143 -6.884 -31.688 9.021 1.00 0.00 H new ATOM 0 HD1 HIS A 143 -10.341 -30.921 7.599 1.00 0.00 H new ATOM 0 HD2 HIS A 143 -8.325 -31.016 11.266 1.00 0.00 H new ATOM 0 HE1 HIS A 143 -12.094 -30.576 9.399 1.00 0.00 H new ATOM 2175 N HIS A 144 -8.558 -30.421 5.697 1.00 0.00 N ATOM 2176 CA HIS A 144 -9.440 -30.044 4.559 1.00 0.00 C ATOM 2177 C HIS A 144 -10.891 -29.775 5.037 1.00 0.00 C ATOM 2178 O HIS A 144 -11.388 -30.517 5.906 1.00 0.00 O ATOM 2179 CB HIS A 144 -9.387 -31.109 3.418 1.00 0.00 C ATOM 2180 CG HIS A 144 -9.936 -32.482 3.743 1.00 0.00 C ATOM 2181 ND1 HIS A 144 -9.142 -33.553 4.078 1.00 0.00 N ATOM 2182 CD2 HIS A 144 -11.208 -32.952 3.744 1.00 0.00 C ATOM 2183 CE1 HIS A 144 -9.897 -34.616 4.265 1.00 0.00 C ATOM 2184 NE2 HIS A 144 -11.150 -34.280 4.072 1.00 0.00 N ATOM 2185 OXT HIS A 144 -11.524 -28.826 4.545 1.00 0.00 O ATOM 0 H HIS A 144 -8.483 -31.427 5.849 1.00 0.00 H new ATOM 0 HA HIS A 144 -9.062 -29.111 4.140 1.00 0.00 H new ATOM 0 HB2 HIS A 144 -9.935 -30.717 2.561 1.00 0.00 H new ATOM 0 HB3 HIS A 144 -8.349 -31.223 3.107 1.00 0.00 H new ATOM 0 HD2 HIS A 144 -12.101 -32.384 3.527 1.00 0.00 H new ATOM 0 HE1 HIS A 144 -9.543 -35.601 4.533 1.00 0.00 H new ATOM 0 HE2 HIS A 144 -11.951 -34.906 4.153 1.00 0.00 H new TER 2194 HIS A 144