USER MOD reduce.3.24.130724 H: found=0, std=0, add=365, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 362 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 13 TYR OH : rot 150:sc= 0.0369 USER MOD Set 1.2: A 23 THR OG1 : rot -158:sc= 0.0702 USER MOD Set 1.3: A 30 ASN : amide:sc= -3.04 K(o=-2.9,f=-9.6!) USER MOD Single : A 1 ASP N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 TYR OH : rot -80:sc= 1.21 USER MOD Single : A 7 THR OG1 : rot 36:sc= -2.06 USER MOD Single : A 8 SER OG : rot 180:sc= -0.0151 USER MOD Single : A 10 THR OG1 : rot -92:sc= 1.11 USER MOD Single : A 14 LYS NZ :NH3+ 151:sc= -0.0758 (180deg=-0.46) USER MOD Single : A 15 ASN : amide:sc= 0 X(o=0,f=-0.078) USER MOD Single : A 17 SER OG : rot -100:sc= -0.31 USER MOD Single : A 18 GLN : amide:sc= -0.0486 K(o=-0.049,f=-1.4!) USER MOD Single : A 25 SER OG : rot 135:sc=-0.000209 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 CYS SG : rot -108:sc= -8.71! USER MOD Single : A 38 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 41 SER OG : rot 180:sc= -0.3 USER MOD Single : A 45 SER OG : rot 180:sc= -1.75! USER MOD Single : A 46 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 47 SER OG : rot 180:sc=-0.00107 USER MOD Single : A 51 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 ASN : amide:sc= -0.0354 X(o=-0.035,f=-0.14) USER MOD Single : A 59 ASN : amide:sc= -0.304 K(o=-0.3,f=-2.9!) USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 1 9.936 -5.861 -6.521 1.00 0.00 N ATOM 2 CA ASP A 1 8.721 -6.644 -6.674 1.00 0.00 C ATOM 3 C ASP A 1 7.852 -6.479 -5.426 1.00 0.00 C ATOM 4 O ASP A 1 8.337 -6.623 -4.304 1.00 0.00 O ATOM 5 CB ASP A 1 9.041 -8.131 -6.835 1.00 0.00 C ATOM 6 CG ASP A 1 9.854 -8.487 -8.082 1.00 0.00 C ATOM 7 OD1 ASP A 1 9.761 -7.713 -9.059 1.00 0.00 O ATOM 8 OD2 ASP A 1 10.549 -9.525 -8.029 1.00 0.00 O ATOM 0 H1 ASP A 1 10.529 -5.971 -7.368 1.00 0.00 H new ATOM 0 H2 ASP A 1 9.690 -4.858 -6.399 1.00 0.00 H new ATOM 0 H3 ASP A 1 10.460 -6.193 -5.686 1.00 0.00 H new ATOM 0 HA ASP A 1 8.201 -6.289 -7.564 1.00 0.00 H new ATOM 0 HB2 ASP A 1 9.589 -8.467 -5.955 1.00 0.00 H new ATOM 0 HB3 ASP A 1 8.104 -8.688 -6.859 1.00 0.00 H new ATOM 13 N ILE A 2 6.583 -6.181 -5.662 1.00 0.00 N ATOM 14 CA ILE A 2 5.642 -5.995 -4.571 1.00 0.00 C ATOM 15 C ILE A 2 4.638 -7.149 -4.568 1.00 0.00 C ATOM 16 O ILE A 2 4.205 -7.597 -3.507 1.00 0.00 O ATOM 17 CB ILE A 2 4.991 -4.613 -4.654 1.00 0.00 C ATOM 18 CG1 ILE A 2 3.660 -4.678 -5.405 1.00 0.00 C ATOM 19 CG2 ILE A 2 5.948 -3.592 -5.272 1.00 0.00 C ATOM 20 CD1 ILE A 2 3.010 -3.296 -5.490 1.00 0.00 C ATOM 0 H ILE A 2 6.184 -6.064 -6.593 1.00 0.00 H new ATOM 0 HA ILE A 2 6.160 -6.020 -3.612 1.00 0.00 H new ATOM 0 HB ILE A 2 4.773 -4.277 -3.640 1.00 0.00 H new ATOM 0 HG12 ILE A 2 3.824 -5.069 -6.409 1.00 0.00 H new ATOM 0 HG13 ILE A 2 2.987 -5.370 -4.899 1.00 0.00 H new ATOM 0 HG21 ILE A 2 5.460 -2.618 -5.319 1.00 0.00 H new ATOM 0 HG22 ILE A 2 6.847 -3.518 -4.659 1.00 0.00 H new ATOM 0 HG23 ILE A 2 6.220 -3.911 -6.278 1.00 0.00 H new ATOM 0 HD11 ILE A 2 2.065 -3.371 -6.029 1.00 0.00 H new ATOM 0 HD12 ILE A 2 2.825 -2.918 -4.484 1.00 0.00 H new ATOM 0 HD13 ILE A 2 3.675 -2.613 -6.018 1.00 0.00 H new ATOM 32 N GLU A 3 4.295 -7.597 -5.767 1.00 0.00 N ATOM 33 CA GLU A 3 3.350 -8.690 -5.916 1.00 0.00 C ATOM 34 C GLU A 3 3.828 -9.915 -5.135 1.00 0.00 C ATOM 35 O GLU A 3 3.016 -10.688 -4.628 1.00 0.00 O ATOM 36 CB GLU A 3 3.133 -9.030 -7.392 1.00 0.00 C ATOM 37 CG GLU A 3 4.435 -9.504 -8.042 1.00 0.00 C ATOM 38 CD GLU A 3 4.173 -10.088 -9.431 1.00 0.00 C ATOM 39 OE1 GLU A 3 3.713 -9.311 -10.296 1.00 0.00 O ATOM 40 OE2 GLU A 3 4.438 -11.298 -9.598 1.00 0.00 O ATOM 0 H GLU A 3 4.655 -7.222 -6.645 1.00 0.00 H new ATOM 0 HA GLU A 3 2.391 -8.374 -5.506 1.00 0.00 H new ATOM 0 HB2 GLU A 3 2.373 -9.807 -7.482 1.00 0.00 H new ATOM 0 HB3 GLU A 3 2.757 -8.153 -7.919 1.00 0.00 H new ATOM 0 HG2 GLU A 3 5.132 -8.669 -8.120 1.00 0.00 H new ATOM 0 HG3 GLU A 3 4.908 -10.256 -7.411 1.00 0.00 H new ATOM 47 N ASP A 4 5.143 -10.055 -5.062 1.00 0.00 N ATOM 48 CA ASP A 4 5.739 -11.173 -4.351 1.00 0.00 C ATOM 49 C ASP A 4 5.600 -10.947 -2.844 1.00 0.00 C ATOM 50 O ASP A 4 5.966 -11.809 -2.047 1.00 0.00 O ATOM 51 CB ASP A 4 7.229 -11.301 -4.675 1.00 0.00 C ATOM 52 CG ASP A 4 7.631 -12.604 -5.368 1.00 0.00 C ATOM 53 OD1 ASP A 4 7.076 -12.863 -6.457 1.00 0.00 O ATOM 54 OD2 ASP A 4 8.485 -13.313 -4.792 1.00 0.00 O ATOM 0 H ASP A 4 5.813 -9.412 -5.484 1.00 0.00 H new ATOM 0 HA ASP A 4 5.223 -12.082 -4.660 1.00 0.00 H new ATOM 0 HB2 ASP A 4 7.520 -10.465 -5.310 1.00 0.00 H new ATOM 0 HB3 ASP A 4 7.796 -11.210 -3.748 1.00 0.00 H new ATOM 59 N PHE A 5 5.072 -9.782 -2.500 1.00 0.00 N ATOM 60 CA PHE A 5 4.880 -9.431 -1.103 1.00 0.00 C ATOM 61 C PHE A 5 3.441 -8.982 -0.843 1.00 0.00 C ATOM 62 O PHE A 5 3.159 -8.343 0.170 1.00 0.00 O ATOM 63 CB PHE A 5 5.827 -8.268 -0.800 1.00 0.00 C ATOM 64 CG PHE A 5 7.237 -8.702 -0.394 1.00 0.00 C ATOM 65 CD1 PHE A 5 8.191 -8.887 -1.345 1.00 0.00 C ATOM 66 CD2 PHE A 5 7.535 -8.903 0.917 1.00 0.00 C ATOM 67 CE1 PHE A 5 9.499 -9.291 -0.969 1.00 0.00 C ATOM 68 CE2 PHE A 5 8.844 -9.306 1.294 1.00 0.00 C ATOM 69 CZ PHE A 5 9.798 -9.492 0.343 1.00 0.00 C ATOM 0 H PHE A 5 4.771 -9.069 -3.164 1.00 0.00 H new ATOM 0 HA PHE A 5 5.082 -10.296 -0.471 1.00 0.00 H new ATOM 0 HB2 PHE A 5 5.894 -7.629 -1.680 1.00 0.00 H new ATOM 0 HB3 PHE A 5 5.399 -7.664 0.000 1.00 0.00 H new ATOM 0 HD1 PHE A 5 7.954 -8.727 -2.386 1.00 0.00 H new ATOM 0 HD2 PHE A 5 6.777 -8.756 1.672 1.00 0.00 H new ATOM 0 HE1 PHE A 5 10.257 -9.439 -1.724 1.00 0.00 H new ATOM 0 HE2 PHE A 5 9.081 -9.465 2.336 1.00 0.00 H new ATOM 0 HZ PHE A 5 10.793 -9.799 0.629 1.00 0.00 H new ATOM 79 N TYR A 6 2.567 -9.336 -1.774 1.00 0.00 N ATOM 80 CA TYR A 6 1.164 -8.978 -1.658 1.00 0.00 C ATOM 81 C TYR A 6 0.439 -9.909 -0.685 1.00 0.00 C ATOM 82 O TYR A 6 0.615 -11.126 -0.736 1.00 0.00 O ATOM 83 CB TYR A 6 0.566 -9.155 -3.056 1.00 0.00 C ATOM 84 CG TYR A 6 -0.832 -8.555 -3.215 1.00 0.00 C ATOM 85 CD1 TYR A 6 -1.172 -7.405 -2.532 1.00 0.00 C ATOM 86 CD2 TYR A 6 -1.753 -9.163 -4.043 1.00 0.00 C ATOM 87 CE1 TYR A 6 -2.488 -6.840 -2.682 1.00 0.00 C ATOM 88 CE2 TYR A 6 -3.070 -8.599 -4.193 1.00 0.00 C ATOM 89 CZ TYR A 6 -3.372 -7.465 -3.505 1.00 0.00 C ATOM 90 OH TYR A 6 -4.615 -6.932 -3.647 1.00 0.00 O ATOM 0 H TYR A 6 2.804 -9.867 -2.612 1.00 0.00 H new ATOM 0 HA TYR A 6 1.058 -7.960 -1.284 1.00 0.00 H new ATOM 0 HB2 TYR A 6 1.233 -8.696 -3.786 1.00 0.00 H new ATOM 0 HB3 TYR A 6 0.522 -10.219 -3.289 1.00 0.00 H new ATOM 0 HD1 TYR A 6 -0.451 -6.929 -1.885 1.00 0.00 H new ATOM 0 HD2 TYR A 6 -1.486 -10.062 -4.579 1.00 0.00 H new ATOM 0 HE1 TYR A 6 -2.767 -5.941 -2.153 1.00 0.00 H new ATOM 0 HE2 TYR A 6 -3.801 -9.066 -4.837 1.00 0.00 H new ATOM 0 HH TYR A 6 -5.169 -7.184 -2.879 1.00 0.00 H new ATOM 100 N THR A 7 -0.361 -9.303 0.180 1.00 0.00 N ATOM 101 CA THR A 7 -1.114 -10.063 1.163 1.00 0.00 C ATOM 102 C THR A 7 -2.613 -9.801 1.007 1.00 0.00 C ATOM 103 O THR A 7 -3.156 -8.893 1.635 1.00 0.00 O ATOM 104 CB THR A 7 -0.575 -9.705 2.550 1.00 0.00 C ATOM 105 OG1 THR A 7 -1.074 -8.392 2.788 1.00 0.00 O ATOM 106 CG2 THR A 7 0.945 -9.535 2.562 1.00 0.00 C ATOM 0 H THR A 7 -0.504 -8.294 0.220 1.00 0.00 H new ATOM 0 HA THR A 7 -0.988 -11.136 1.015 1.00 0.00 H new ATOM 0 HB THR A 7 -0.858 -10.481 3.261 1.00 0.00 H new ATOM 0 HG1 THR A 7 -1.969 -8.307 2.399 1.00 0.00 H new ATOM 0 HG21 THR A 7 1.275 -9.282 3.570 1.00 0.00 H new ATOM 0 HG22 THR A 7 1.418 -10.466 2.249 1.00 0.00 H new ATOM 0 HG23 THR A 7 1.227 -8.736 1.876 1.00 0.00 H new ATOM 114 N SER A 8 -3.239 -10.612 0.167 1.00 0.00 N ATOM 115 CA SER A 8 -4.665 -10.478 -0.079 1.00 0.00 C ATOM 116 C SER A 8 -5.450 -10.845 1.182 1.00 0.00 C ATOM 117 O SER A 8 -6.660 -10.632 1.248 1.00 0.00 O ATOM 118 CB SER A 8 -5.105 -11.356 -1.253 1.00 0.00 C ATOM 119 OG SER A 8 -6.307 -12.066 -0.967 1.00 0.00 O ATOM 0 H SER A 8 -2.785 -11.364 -0.352 1.00 0.00 H new ATOM 0 HA SER A 8 -4.872 -9.440 -0.339 1.00 0.00 H new ATOM 0 HB2 SER A 8 -5.253 -10.734 -2.136 1.00 0.00 H new ATOM 0 HB3 SER A 8 -4.313 -12.066 -1.492 1.00 0.00 H new ATOM 0 HG SER A 8 -6.556 -12.613 -1.741 1.00 0.00 H new ATOM 125 N GLU A 9 -4.730 -11.390 2.151 1.00 0.00 N ATOM 126 CA GLU A 9 -5.345 -11.789 3.406 1.00 0.00 C ATOM 127 C GLU A 9 -5.797 -10.555 4.191 1.00 0.00 C ATOM 128 O GLU A 9 -6.943 -10.481 4.632 1.00 0.00 O ATOM 129 CB GLU A 9 -4.389 -12.647 4.237 1.00 0.00 C ATOM 130 CG GLU A 9 -5.090 -13.902 4.758 1.00 0.00 C ATOM 131 CD GLU A 9 -4.662 -14.215 6.193 1.00 0.00 C ATOM 132 OE1 GLU A 9 -3.457 -14.043 6.475 1.00 0.00 O ATOM 133 OE2 GLU A 9 -5.550 -14.618 6.975 1.00 0.00 O ATOM 0 H GLU A 9 -3.727 -11.565 2.093 1.00 0.00 H new ATOM 0 HA GLU A 9 -6.223 -12.395 3.182 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -3.530 -12.932 3.630 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -4.008 -12.064 5.076 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -6.170 -13.762 4.720 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -4.855 -14.748 4.112 1.00 0.00 H new ATOM 140 N THR A 10 -4.873 -9.617 4.341 1.00 0.00 N ATOM 141 CA THR A 10 -5.162 -8.391 5.064 1.00 0.00 C ATOM 142 C THR A 10 -5.605 -7.292 4.096 1.00 0.00 C ATOM 143 O THR A 10 -6.367 -6.401 4.468 1.00 0.00 O ATOM 144 CB THR A 10 -3.922 -8.019 5.879 1.00 0.00 C ATOM 145 OG1 THR A 10 -4.127 -6.650 6.218 1.00 0.00 O ATOM 146 CG2 THR A 10 -2.647 -8.007 5.033 1.00 0.00 C ATOM 0 H THR A 10 -3.924 -9.682 3.974 1.00 0.00 H new ATOM 0 HA THR A 10 -5.994 -8.527 5.755 1.00 0.00 H new ATOM 0 HB THR A 10 -3.804 -8.723 6.702 1.00 0.00 H new ATOM 0 HG1 THR A 10 -3.716 -6.079 5.536 1.00 0.00 H new ATOM 0 HG21 THR A 10 -1.797 -7.737 5.660 1.00 0.00 H new ATOM 0 HG22 THR A 10 -2.484 -8.997 4.607 1.00 0.00 H new ATOM 0 HG23 THR A 10 -2.751 -7.278 4.229 1.00 0.00 H new ATOM 154 N CYS A 11 -5.108 -7.391 2.872 1.00 0.00 N ATOM 155 CA CYS A 11 -5.443 -6.417 1.847 1.00 0.00 C ATOM 156 C CYS A 11 -6.942 -6.520 1.558 1.00 0.00 C ATOM 157 O CYS A 11 -7.486 -7.619 1.467 1.00 0.00 O ATOM 158 CB CYS A 11 -4.603 -6.613 0.583 1.00 0.00 C ATOM 159 SG CYS A 11 -4.557 -5.169 -0.540 1.00 0.00 S ATOM 0 H CYS A 11 -4.476 -8.131 2.567 1.00 0.00 H new ATOM 0 HA CYS A 11 -5.211 -5.414 2.206 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -3.583 -6.860 0.877 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -4.993 -7.470 0.034 1.00 0.00 H new ATOM 164 N PRO A 12 -7.583 -5.329 1.417 1.00 0.00 N ATOM 165 CA PRO A 12 -9.009 -5.275 1.139 1.00 0.00 C ATOM 166 C PRO A 12 -9.298 -5.643 -0.318 1.00 0.00 C ATOM 167 O PRO A 12 -10.457 -5.728 -0.721 1.00 0.00 O ATOM 168 CB PRO A 12 -9.423 -3.854 1.487 1.00 0.00 C ATOM 169 CG PRO A 12 -8.141 -3.038 1.502 1.00 0.00 C ATOM 170 CD PRO A 12 -6.971 -4.008 1.517 1.00 0.00 C ATOM 0 HA PRO A 12 -9.580 -5.997 1.723 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -10.127 -3.462 0.753 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -9.920 -3.818 2.456 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -8.090 -2.392 0.626 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -8.111 -2.390 2.378 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -6.292 -3.822 0.685 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -6.387 -3.910 2.432 1.00 0.00 H new ATOM 178 N TYR A 13 -8.225 -5.851 -1.066 1.00 0.00 N ATOM 179 CA TYR A 13 -8.349 -6.207 -2.469 1.00 0.00 C ATOM 180 C TYR A 13 -7.614 -7.515 -2.770 1.00 0.00 C ATOM 181 O TYR A 13 -6.612 -7.830 -2.129 1.00 0.00 O ATOM 182 CB TYR A 13 -7.687 -5.072 -3.253 1.00 0.00 C ATOM 183 CG TYR A 13 -8.110 -3.674 -2.799 1.00 0.00 C ATOM 184 CD1 TYR A 13 -9.318 -3.149 -3.213 1.00 0.00 C ATOM 185 CD2 TYR A 13 -7.283 -2.936 -1.976 1.00 0.00 C ATOM 186 CE1 TYR A 13 -9.715 -1.833 -2.786 1.00 0.00 C ATOM 187 CE2 TYR A 13 -7.681 -1.620 -1.549 1.00 0.00 C ATOM 188 CZ TYR A 13 -8.877 -1.133 -1.975 1.00 0.00 C ATOM 189 OH TYR A 13 -9.253 0.110 -1.572 1.00 0.00 O ATOM 0 H TYR A 13 -7.266 -5.780 -0.727 1.00 0.00 H new ATOM 0 HA TYR A 13 -9.396 -6.346 -2.738 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -6.605 -5.162 -3.158 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -7.925 -5.187 -4.310 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -9.965 -3.726 -3.857 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -6.338 -3.346 -1.653 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -10.657 -1.411 -3.103 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -7.044 -1.033 -0.905 1.00 0.00 H new ATOM 0 HH TYR A 13 -8.870 0.298 -0.690 1.00 0.00 H new ATOM 199 N LYS A 14 -8.141 -8.242 -3.744 1.00 0.00 N ATOM 200 CA LYS A 14 -7.547 -9.509 -4.138 1.00 0.00 C ATOM 201 C LYS A 14 -7.577 -9.629 -5.662 1.00 0.00 C ATOM 202 O LYS A 14 -7.620 -10.735 -6.201 1.00 0.00 O ATOM 203 CB LYS A 14 -8.234 -10.670 -3.415 1.00 0.00 C ATOM 204 CG LYS A 14 -9.571 -11.012 -4.076 1.00 0.00 C ATOM 205 CD LYS A 14 -10.556 -9.847 -3.957 1.00 0.00 C ATOM 206 CE LYS A 14 -10.789 -9.185 -5.317 1.00 0.00 C ATOM 207 NZ LYS A 14 -11.441 -10.132 -6.249 1.00 0.00 N ATOM 0 H LYS A 14 -8.973 -7.978 -4.272 1.00 0.00 H new ATOM 0 HA LYS A 14 -6.501 -9.550 -3.836 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -7.584 -11.545 -3.425 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -8.397 -10.407 -2.370 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -9.410 -11.251 -5.127 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -9.995 -11.901 -3.608 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -11.504 -10.207 -3.557 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -10.171 -9.111 -3.251 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -11.412 -8.299 -5.195 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -9.838 -8.852 -5.734 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -12.019 -9.603 -6.933 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -10.714 -10.675 -6.757 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -12.049 -10.784 -5.713 1.00 0.00 H new ATOM 221 N ASN A 15 -7.553 -8.477 -6.316 1.00 0.00 N ATOM 222 CA ASN A 15 -7.576 -8.440 -7.768 1.00 0.00 C ATOM 223 C ASN A 15 -6.143 -8.347 -8.295 1.00 0.00 C ATOM 224 O ASN A 15 -5.782 -9.035 -9.249 1.00 0.00 O ATOM 225 CB ASN A 15 -8.347 -7.219 -8.275 1.00 0.00 C ATOM 226 CG ASN A 15 -9.169 -7.567 -9.518 1.00 0.00 C ATOM 227 OD1 ASN A 15 -8.746 -8.313 -10.385 1.00 0.00 O ATOM 228 ND2 ASN A 15 -10.364 -6.985 -9.556 1.00 0.00 N ATOM 0 H ASN A 15 -7.518 -7.562 -5.867 1.00 0.00 H new ATOM 0 HA ASN A 15 -8.065 -9.348 -8.121 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -9.007 -6.849 -7.490 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -7.649 -6.415 -8.509 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -10.988 -7.153 -10.345 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -10.657 -6.371 -8.796 1.00 0.00 H new ATOM 235 N ASP A 16 -5.364 -7.490 -7.651 1.00 0.00 N ATOM 236 CA ASP A 16 -3.978 -7.298 -8.043 1.00 0.00 C ATOM 237 C ASP A 16 -3.238 -6.550 -6.932 1.00 0.00 C ATOM 238 O ASP A 16 -3.852 -5.824 -6.151 1.00 0.00 O ATOM 239 CB ASP A 16 -3.878 -6.465 -9.322 1.00 0.00 C ATOM 240 CG ASP A 16 -3.495 -7.252 -10.577 1.00 0.00 C ATOM 241 OD1 ASP A 16 -3.473 -8.498 -10.481 1.00 0.00 O ATOM 242 OD2 ASP A 16 -3.234 -6.590 -11.605 1.00 0.00 O ATOM 0 H ASP A 16 -5.666 -6.921 -6.860 1.00 0.00 H new ATOM 0 HA ASP A 16 -3.537 -8.280 -8.217 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -4.837 -5.977 -9.496 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -3.142 -5.676 -9.167 1.00 0.00 H new ATOM 247 N SER A 17 -1.929 -6.752 -6.897 1.00 0.00 N ATOM 248 CA SER A 17 -1.098 -6.106 -5.895 1.00 0.00 C ATOM 249 C SER A 17 -0.952 -4.617 -6.218 1.00 0.00 C ATOM 250 O SER A 17 -0.867 -3.788 -5.314 1.00 0.00 O ATOM 251 CB SER A 17 0.278 -6.768 -5.810 1.00 0.00 C ATOM 252 OG SER A 17 0.731 -7.223 -7.082 1.00 0.00 O ATOM 0 H SER A 17 -1.423 -7.354 -7.547 1.00 0.00 H new ATOM 0 HA SER A 17 -1.584 -6.215 -4.925 1.00 0.00 H new ATOM 0 HB2 SER A 17 0.997 -6.058 -5.402 1.00 0.00 H new ATOM 0 HB3 SER A 17 0.233 -7.610 -5.119 1.00 0.00 H new ATOM 0 HG SER A 17 0.575 -8.187 -7.159 1.00 0.00 H new ATOM 258 N GLN A 18 -0.928 -4.324 -7.510 1.00 0.00 N ATOM 259 CA GLN A 18 -0.794 -2.950 -7.963 1.00 0.00 C ATOM 260 C GLN A 18 -2.097 -2.184 -7.727 1.00 0.00 C ATOM 261 O GLN A 18 -2.084 -0.964 -7.564 1.00 0.00 O ATOM 262 CB GLN A 18 -0.385 -2.896 -9.436 1.00 0.00 C ATOM 263 CG GLN A 18 1.044 -3.409 -9.628 1.00 0.00 C ATOM 264 CD GLN A 18 1.289 -3.818 -11.082 1.00 0.00 C ATOM 265 OE1 GLN A 18 0.391 -4.226 -11.799 1.00 0.00 O ATOM 266 NE2 GLN A 18 2.553 -3.685 -11.475 1.00 0.00 N ATOM 0 H GLN A 18 -0.999 -5.015 -8.257 1.00 0.00 H new ATOM 0 HA GLN A 18 -0.004 -2.472 -7.383 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -1.074 -3.496 -10.030 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -0.459 -1.871 -9.800 1.00 0.00 H new ATOM 0 HG2 GLN A 18 1.754 -2.634 -9.340 1.00 0.00 H new ATOM 0 HG3 GLN A 18 1.219 -4.262 -8.972 1.00 0.00 H new ATOM 0 HE21 GLN A 18 3.256 -3.337 -10.823 1.00 0.00 H new ATOM 0 HE22 GLN A 18 2.819 -3.931 -12.428 1.00 0.00 H new ATOM 275 N LEU A 19 -3.192 -2.930 -7.717 1.00 0.00 N ATOM 276 CA LEU A 19 -4.500 -2.336 -7.504 1.00 0.00 C ATOM 277 C LEU A 19 -4.548 -1.703 -6.112 1.00 0.00 C ATOM 278 O LEU A 19 -4.812 -0.509 -5.977 1.00 0.00 O ATOM 279 CB LEU A 19 -5.603 -3.368 -7.749 1.00 0.00 C ATOM 280 CG LEU A 19 -6.974 -3.039 -7.153 1.00 0.00 C ATOM 281 CD1 LEU A 19 -7.006 -3.339 -5.654 1.00 0.00 C ATOM 282 CD2 LEU A 19 -7.371 -1.593 -7.457 1.00 0.00 C ATOM 0 H LEU A 19 -3.200 -3.941 -7.853 1.00 0.00 H new ATOM 0 HA LEU A 19 -4.677 -1.537 -8.224 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -5.718 -3.499 -8.825 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -5.274 -4.325 -7.345 1.00 0.00 H new ATOM 0 HG LEU A 19 -7.716 -3.683 -7.626 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -7.991 -3.096 -5.255 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -6.798 -4.396 -5.490 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -6.251 -2.738 -5.147 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -8.349 -1.385 -7.023 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -6.632 -0.915 -7.029 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -7.415 -1.447 -8.536 1.00 0.00 H new ATOM 294 N ALA A 20 -4.289 -2.532 -5.111 1.00 0.00 N ATOM 295 CA ALA A 20 -4.299 -2.068 -3.734 1.00 0.00 C ATOM 296 C ALA A 20 -3.235 -0.983 -3.558 1.00 0.00 C ATOM 297 O ALA A 20 -3.424 -0.043 -2.787 1.00 0.00 O ATOM 298 CB ALA A 20 -4.082 -3.256 -2.794 1.00 0.00 C ATOM 0 H ALA A 20 -4.071 -3.522 -5.226 1.00 0.00 H new ATOM 0 HA ALA A 20 -5.264 -1.626 -3.484 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -4.089 -2.909 -1.761 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -4.880 -3.984 -2.938 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -3.122 -3.723 -3.013 1.00 0.00 H new ATOM 304 N TRP A 21 -2.140 -1.149 -4.285 1.00 0.00 N ATOM 305 CA TRP A 21 -1.046 -0.195 -4.219 1.00 0.00 C ATOM 306 C TRP A 21 -1.527 1.119 -4.837 1.00 0.00 C ATOM 307 O TRP A 21 -1.272 2.194 -4.296 1.00 0.00 O ATOM 308 CB TRP A 21 0.208 -0.751 -4.896 1.00 0.00 C ATOM 309 CG TRP A 21 1.264 0.308 -5.215 1.00 0.00 C ATOM 310 CD1 TRP A 21 1.329 1.114 -6.285 1.00 0.00 C ATOM 311 CD2 TRP A 21 2.413 0.647 -4.410 1.00 0.00 C ATOM 312 NE1 TRP A 21 2.430 1.943 -6.228 1.00 0.00 N ATOM 313 CE2 TRP A 21 3.110 1.650 -5.051 1.00 0.00 C ATOM 314 CE3 TRP A 21 2.848 0.123 -3.180 1.00 0.00 C ATOM 315 CZ2 TRP A 21 4.284 2.216 -4.539 1.00 0.00 C ATOM 316 CZ3 TRP A 21 4.023 0.699 -2.682 1.00 0.00 C ATOM 317 CH2 TRP A 21 4.737 1.710 -3.315 1.00 0.00 C ATOM 0 H TRP A 21 -1.987 -1.930 -4.923 1.00 0.00 H new ATOM 0 HA TRP A 21 -0.759 -0.008 -3.184 1.00 0.00 H new ATOM 0 HB2 TRP A 21 0.652 -1.509 -4.250 1.00 0.00 H new ATOM 0 HB3 TRP A 21 -0.082 -1.250 -5.821 1.00 0.00 H new ATOM 0 HD1 TRP A 21 0.609 1.114 -7.090 1.00 0.00 H new ATOM 0 HE1 TRP A 21 2.696 2.642 -6.921 1.00 0.00 H new ATOM 0 HE3 TRP A 21 2.318 -0.662 -2.661 1.00 0.00 H new ATOM 0 HZ2 TRP A 21 4.812 3.001 -5.061 1.00 0.00 H new ATOM 0 HZ3 TRP A 21 4.401 0.332 -1.739 1.00 0.00 H new ATOM 0 HH2 TRP A 21 5.637 2.103 -2.865 1.00 0.00 H new ATOM 328 N ASP A 22 -2.214 0.990 -5.963 1.00 0.00 N ATOM 329 CA ASP A 22 -2.733 2.154 -6.661 1.00 0.00 C ATOM 330 C ASP A 22 -3.795 2.832 -5.793 1.00 0.00 C ATOM 331 O ASP A 22 -4.186 3.968 -6.058 1.00 0.00 O ATOM 332 CB ASP A 22 -3.388 1.756 -7.985 1.00 0.00 C ATOM 333 CG ASP A 22 -2.579 2.103 -9.236 1.00 0.00 C ATOM 334 OD1 ASP A 22 -1.472 1.537 -9.371 1.00 0.00 O ATOM 335 OD2 ASP A 22 -3.085 2.925 -10.030 1.00 0.00 O ATOM 0 H ASP A 22 -2.423 0.097 -6.409 1.00 0.00 H new ATOM 0 HA ASP A 22 -1.899 2.828 -6.860 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -3.570 0.681 -7.975 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -4.361 2.243 -8.053 1.00 0.00 H new ATOM 340 N THR A 23 -4.232 2.108 -4.773 1.00 0.00 N ATOM 341 CA THR A 23 -5.241 2.625 -3.865 1.00 0.00 C ATOM 342 C THR A 23 -4.603 3.560 -2.836 1.00 0.00 C ATOM 343 O THR A 23 -4.983 4.725 -2.731 1.00 0.00 O ATOM 344 CB THR A 23 -5.966 1.434 -3.236 1.00 0.00 C ATOM 345 OG1 THR A 23 -7.287 1.512 -3.767 1.00 0.00 O ATOM 346 CG2 THR A 23 -6.161 1.597 -1.727 1.00 0.00 C ATOM 0 H THR A 23 -3.905 1.167 -4.555 1.00 0.00 H new ATOM 0 HA THR A 23 -5.977 3.229 -4.395 1.00 0.00 H new ATOM 0 HB THR A 23 -5.403 0.522 -3.433 1.00 0.00 H new ATOM 0 HG1 THR A 23 -7.905 1.030 -3.179 1.00 0.00 H new ATOM 0 HG21 THR A 23 -6.680 0.724 -1.331 1.00 0.00 H new ATOM 0 HG22 THR A 23 -5.189 1.692 -1.243 1.00 0.00 H new ATOM 0 HG23 THR A 23 -6.753 2.491 -1.531 1.00 0.00 H new ATOM 354 N CYS A 24 -3.644 3.014 -2.102 1.00 0.00 N ATOM 355 CA CYS A 24 -2.950 3.785 -1.085 1.00 0.00 C ATOM 356 C CYS A 24 -1.773 4.504 -1.747 1.00 0.00 C ATOM 357 O CYS A 24 -1.775 5.729 -1.864 1.00 0.00 O ATOM 358 CB CYS A 24 -2.498 2.905 0.082 1.00 0.00 C ATOM 359 SG CYS A 24 -0.807 3.248 0.692 1.00 0.00 S ATOM 0 H CYS A 24 -3.332 2.047 -2.192 1.00 0.00 H new ATOM 0 HA CYS A 24 -3.630 4.521 -0.657 1.00 0.00 H new ATOM 0 HB2 CYS A 24 -3.199 3.031 0.907 1.00 0.00 H new ATOM 0 HB3 CYS A 24 -2.553 1.861 -0.226 1.00 0.00 H new ATOM 364 N SER A 25 -0.795 3.712 -2.163 1.00 0.00 N ATOM 365 CA SER A 25 0.386 4.258 -2.810 1.00 0.00 C ATOM 366 C SER A 25 0.086 4.556 -4.280 1.00 0.00 C ATOM 367 O SER A 25 0.819 4.122 -5.167 1.00 0.00 O ATOM 368 CB SER A 25 1.571 3.297 -2.694 1.00 0.00 C ATOM 369 OG SER A 25 1.156 1.975 -2.362 1.00 0.00 O ATOM 0 H SER A 25 -0.797 2.697 -2.064 1.00 0.00 H new ATOM 0 HA SER A 25 0.655 5.186 -2.305 1.00 0.00 H new ATOM 0 HB2 SER A 25 2.117 3.279 -3.637 1.00 0.00 H new ATOM 0 HB3 SER A 25 2.261 3.662 -1.933 1.00 0.00 H new ATOM 0 HG SER A 25 1.625 1.332 -2.933 1.00 0.00 H new ATOM 375 N GLY A 26 -0.993 5.294 -4.493 1.00 0.00 N ATOM 376 CA GLY A 26 -1.399 5.655 -5.841 1.00 0.00 C ATOM 377 C GLY A 26 -1.565 7.170 -5.977 1.00 0.00 C ATOM 378 O GLY A 26 -1.997 7.660 -7.019 1.00 0.00 O ATOM 0 H GLY A 26 -1.599 5.652 -3.755 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -0.655 5.302 -6.555 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -2.338 5.159 -6.087 1.00 0.00 H new ATOM 382 N GLY A 27 -1.212 7.870 -4.908 1.00 0.00 N ATOM 383 CA GLY A 27 -1.316 9.319 -4.895 1.00 0.00 C ATOM 384 C GLY A 27 -2.514 9.775 -4.058 1.00 0.00 C ATOM 385 O GLY A 27 -2.397 10.695 -3.250 1.00 0.00 O ATOM 0 H GLY A 27 -0.854 7.460 -4.045 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -0.400 9.749 -4.490 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -1.418 9.689 -5.915 1.00 0.00 H new ATOM 389 N THR A 28 -3.638 9.110 -4.281 1.00 0.00 N ATOM 390 CA THR A 28 -4.856 9.435 -3.558 1.00 0.00 C ATOM 391 C THR A 28 -5.480 8.169 -2.968 1.00 0.00 C ATOM 392 O THR A 28 -4.875 7.099 -3.005 1.00 0.00 O ATOM 393 CB THR A 28 -5.787 10.184 -4.514 1.00 0.00 C ATOM 394 OG1 THR A 28 -6.016 9.257 -5.572 1.00 0.00 O ATOM 395 CG2 THR A 28 -5.098 11.367 -5.197 1.00 0.00 C ATOM 0 H THR A 28 -3.731 8.348 -4.952 1.00 0.00 H new ATOM 0 HA THR A 28 -4.650 10.084 -2.707 1.00 0.00 H new ATOM 0 HB THR A 28 -6.659 10.540 -3.966 1.00 0.00 H new ATOM 0 HG1 THR A 28 -6.612 9.660 -6.237 1.00 0.00 H new ATOM 0 HG21 THR A 28 -5.803 11.863 -5.864 1.00 0.00 H new ATOM 0 HG22 THR A 28 -4.755 12.074 -4.442 1.00 0.00 H new ATOM 0 HG23 THR A 28 -4.245 11.008 -5.773 1.00 0.00 H new ATOM 403 N GLY A 29 -6.683 8.333 -2.438 1.00 0.00 N ATOM 404 CA GLY A 29 -7.396 7.217 -1.840 1.00 0.00 C ATOM 405 C GLY A 29 -7.147 7.151 -0.332 1.00 0.00 C ATOM 406 O GLY A 29 -7.277 8.156 0.366 1.00 0.00 O ATOM 0 H GLY A 29 -7.182 9.222 -2.410 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -8.464 7.319 -2.032 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -7.076 6.285 -2.306 1.00 0.00 H new ATOM 410 N ASN A 30 -6.795 5.959 0.126 1.00 0.00 N ATOM 411 CA ASN A 30 -6.527 5.749 1.539 1.00 0.00 C ATOM 412 C ASN A 30 -5.015 5.680 1.762 1.00 0.00 C ATOM 413 O ASN A 30 -4.541 4.899 2.586 1.00 0.00 O ATOM 414 CB ASN A 30 -7.138 4.434 2.026 1.00 0.00 C ATOM 415 CG ASN A 30 -6.910 3.314 1.009 1.00 0.00 C ATOM 416 OD1 ASN A 30 -5.790 2.940 0.699 1.00 0.00 O ATOM 417 ND2 ASN A 30 -8.030 2.801 0.508 1.00 0.00 N ATOM 0 H ASN A 30 -6.689 5.128 -0.456 1.00 0.00 H new ATOM 0 HA ASN A 30 -6.968 6.578 2.093 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -6.697 4.156 2.983 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -8.207 4.566 2.194 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -7.984 2.048 -0.179 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -8.935 3.160 0.811 1.00 0.00 H new ATOM 424 N CYS A 31 -4.300 6.507 1.013 1.00 0.00 N ATOM 425 CA CYS A 31 -2.851 6.549 1.119 1.00 0.00 C ATOM 426 C CYS A 31 -2.484 6.805 2.582 1.00 0.00 C ATOM 427 O CYS A 31 -3.058 7.681 3.226 1.00 0.00 O ATOM 428 CB CYS A 31 -2.246 7.600 0.186 1.00 0.00 C ATOM 429 SG CYS A 31 -2.043 9.260 0.929 1.00 0.00 S ATOM 0 H CYS A 31 -4.697 7.153 0.331 1.00 0.00 H new ATOM 0 HA CYS A 31 -2.432 5.594 0.802 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -1.272 7.247 -0.152 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -2.878 7.688 -0.698 1.00 0.00 H new ATOM 434 N GLY A 32 -1.529 6.023 3.064 1.00 0.00 N ATOM 435 CA GLY A 32 -1.078 6.154 4.439 1.00 0.00 C ATOM 436 C GLY A 32 0.018 5.134 4.756 1.00 0.00 C ATOM 437 O GLY A 32 0.378 4.321 3.907 1.00 0.00 O ATOM 0 H GLY A 32 -1.055 5.297 2.527 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -0.701 7.163 4.607 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -1.920 6.011 5.117 1.00 0.00 H new ATOM 441 N THR A 33 0.518 5.212 5.981 1.00 0.00 N ATOM 442 CA THR A 33 1.565 4.306 6.421 1.00 0.00 C ATOM 443 C THR A 33 0.958 3.000 6.937 1.00 0.00 C ATOM 444 O THR A 33 1.683 2.061 7.264 1.00 0.00 O ATOM 445 CB THR A 33 2.414 5.036 7.464 1.00 0.00 C ATOM 446 OG1 THR A 33 2.932 6.163 6.763 1.00 0.00 O ATOM 447 CG2 THR A 33 3.659 4.242 7.865 1.00 0.00 C ATOM 0 H THR A 33 0.217 5.889 6.682 1.00 0.00 H new ATOM 0 HA THR A 33 2.215 4.021 5.594 1.00 0.00 H new ATOM 0 HB THR A 33 1.810 5.235 8.349 1.00 0.00 H new ATOM 0 HG1 THR A 33 3.494 6.693 7.366 1.00 0.00 H new ATOM 0 HG21 THR A 33 4.226 4.804 8.607 1.00 0.00 H new ATOM 0 HG22 THR A 33 3.359 3.283 8.288 1.00 0.00 H new ATOM 0 HG23 THR A 33 4.281 4.072 6.986 1.00 0.00 H new ATOM 455 N VAL A 34 -0.365 2.981 6.994 1.00 0.00 N ATOM 456 CA VAL A 34 -1.078 1.806 7.465 1.00 0.00 C ATOM 457 C VAL A 34 -1.187 0.790 6.325 1.00 0.00 C ATOM 458 O VAL A 34 -1.149 -0.417 6.559 1.00 0.00 O ATOM 459 CB VAL A 34 -2.438 2.212 8.035 1.00 0.00 C ATOM 460 CG1 VAL A 34 -3.226 0.985 8.501 1.00 0.00 C ATOM 461 CG2 VAL A 34 -2.276 3.223 9.172 1.00 0.00 C ATOM 0 H VAL A 34 -0.963 3.761 6.722 1.00 0.00 H new ATOM 0 HA VAL A 34 -0.530 1.327 8.277 1.00 0.00 H new ATOM 0 HB VAL A 34 -3.006 2.692 7.238 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -4.189 1.302 8.902 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -3.387 0.314 7.657 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -2.664 0.464 9.276 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -3.258 3.495 9.560 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -1.681 2.780 9.970 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -1.774 4.115 8.797 1.00 0.00 H new ATOM 471 N CYS A 35 -1.320 1.317 5.117 1.00 0.00 N ATOM 472 CA CYS A 35 -1.434 0.472 3.941 1.00 0.00 C ATOM 473 C CYS A 35 -0.141 -0.334 3.800 1.00 0.00 C ATOM 474 O CYS A 35 -0.091 -1.307 3.050 1.00 0.00 O ATOM 475 CB CYS A 35 -1.737 1.290 2.683 1.00 0.00 C ATOM 476 SG CYS A 35 -0.412 1.275 1.421 1.00 0.00 S ATOM 0 H CYS A 35 -1.351 2.319 4.927 1.00 0.00 H new ATOM 0 HA CYS A 35 -2.275 -0.211 4.062 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -2.654 0.910 2.232 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -1.929 2.322 2.975 1.00 0.00 H new ATOM 481 N CYS A 36 0.872 0.102 4.533 1.00 0.00 N ATOM 482 CA CYS A 36 2.162 -0.566 4.500 1.00 0.00 C ATOM 483 C CYS A 36 1.950 -2.038 4.858 1.00 0.00 C ATOM 484 O CYS A 36 1.966 -2.902 3.982 1.00 0.00 O ATOM 485 CB CYS A 36 3.173 0.107 5.430 1.00 0.00 C ATOM 486 SG CYS A 36 3.443 1.889 5.110 1.00 0.00 S ATOM 0 H CYS A 36 0.826 0.910 5.154 1.00 0.00 H new ATOM 0 HA CYS A 36 2.585 -0.493 3.498 1.00 0.00 H new ATOM 0 HB2 CYS A 36 2.836 -0.016 6.459 1.00 0.00 H new ATOM 0 HB3 CYS A 36 4.127 -0.412 5.343 1.00 0.00 H new ATOM 0 HG CYS A 36 4.613 2.061 4.571 1.00 0.00 H new ATOM 491 N GLY A 37 1.756 -2.279 6.146 1.00 0.00 N ATOM 492 CA GLY A 37 1.540 -3.632 6.631 1.00 0.00 C ATOM 493 C GLY A 37 0.056 -4.000 6.588 1.00 0.00 C ATOM 494 O GLY A 37 -0.471 -4.578 7.537 1.00 0.00 O ATOM 0 H GLY A 37 1.744 -1.560 6.869 1.00 0.00 H new ATOM 0 HA2 GLY A 37 2.110 -4.335 6.024 1.00 0.00 H new ATOM 0 HA3 GLY A 37 1.910 -3.719 7.652 1.00 0.00 H new ATOM 498 N GLN A 38 -0.576 -3.649 5.478 1.00 0.00 N ATOM 499 CA GLN A 38 -1.990 -3.935 5.299 1.00 0.00 C ATOM 500 C GLN A 38 -2.203 -4.807 4.060 1.00 0.00 C ATOM 501 O GLN A 38 -3.085 -5.664 4.044 1.00 0.00 O ATOM 502 CB GLN A 38 -2.803 -2.642 5.206 1.00 0.00 C ATOM 503 CG GLN A 38 -4.298 -2.922 5.374 1.00 0.00 C ATOM 504 CD GLN A 38 -4.961 -1.854 6.246 1.00 0.00 C ATOM 505 OE1 GLN A 38 -4.953 -1.917 7.465 1.00 0.00 O ATOM 506 NE2 GLN A 38 -5.534 -0.871 5.557 1.00 0.00 N ATOM 0 H GLN A 38 -0.135 -3.169 4.693 1.00 0.00 H new ATOM 0 HA GLN A 38 -2.343 -4.486 6.171 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -2.471 -1.944 5.974 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -2.625 -2.164 4.243 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -4.779 -2.948 4.396 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -4.439 -3.904 5.825 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -5.505 -0.878 4.537 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -6.003 -0.110 6.048 1.00 0.00 H new ATOM 515 N CYS A 39 -1.379 -4.559 3.052 1.00 0.00 N ATOM 516 CA CYS A 39 -1.466 -5.311 1.812 1.00 0.00 C ATOM 517 C CYS A 39 -0.083 -5.886 1.501 1.00 0.00 C ATOM 518 O CYS A 39 0.038 -7.050 1.124 1.00 0.00 O ATOM 519 CB CYS A 39 -1.997 -4.449 0.665 1.00 0.00 C ATOM 520 SG CYS A 39 -3.696 -3.813 0.905 1.00 0.00 S ATOM 0 H CYS A 39 -0.648 -3.848 3.069 1.00 0.00 H new ATOM 0 HA CYS A 39 -2.180 -6.127 1.927 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -1.324 -3.603 0.523 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -1.970 -5.035 -0.254 1.00 0.00 H new ATOM 525 N PHE A 40 0.925 -5.044 1.672 1.00 0.00 N ATOM 526 CA PHE A 40 2.295 -5.454 1.414 1.00 0.00 C ATOM 527 C PHE A 40 3.106 -5.500 2.711 1.00 0.00 C ATOM 528 O PHE A 40 2.590 -5.186 3.782 1.00 0.00 O ATOM 529 CB PHE A 40 2.907 -4.408 0.480 1.00 0.00 C ATOM 530 CG PHE A 40 1.903 -3.767 -0.479 1.00 0.00 C ATOM 531 CD1 PHE A 40 1.132 -2.727 -0.062 1.00 0.00 C ATOM 532 CD2 PHE A 40 1.781 -4.237 -1.750 1.00 0.00 C ATOM 533 CE1 PHE A 40 0.200 -2.132 -0.953 1.00 0.00 C ATOM 534 CE2 PHE A 40 0.849 -3.642 -2.641 1.00 0.00 C ATOM 535 CZ PHE A 40 0.078 -2.602 -2.224 1.00 0.00 C ATOM 0 H PHE A 40 0.821 -4.079 1.986 1.00 0.00 H new ATOM 0 HA PHE A 40 2.309 -6.450 0.972 1.00 0.00 H new ATOM 0 HB2 PHE A 40 3.370 -3.626 1.081 1.00 0.00 H new ATOM 0 HB3 PHE A 40 3.702 -4.876 -0.101 1.00 0.00 H new ATOM 0 HD1 PHE A 40 1.229 -2.354 0.947 1.00 0.00 H new ATOM 0 HD2 PHE A 40 2.393 -5.063 -2.081 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -0.412 -1.306 -0.622 1.00 0.00 H new ATOM 0 HE2 PHE A 40 0.752 -4.015 -3.650 1.00 0.00 H new ATOM 0 HZ PHE A 40 -0.631 -2.149 -2.902 1.00 0.00 H new ATOM 545 N SER A 41 4.364 -5.894 2.570 1.00 0.00 N ATOM 546 CA SER A 41 5.252 -5.986 3.717 1.00 0.00 C ATOM 547 C SER A 41 6.641 -5.465 3.345 1.00 0.00 C ATOM 548 O SER A 41 7.001 -5.430 2.169 1.00 0.00 O ATOM 549 CB SER A 41 5.343 -7.425 4.229 1.00 0.00 C ATOM 550 OG SER A 41 5.207 -8.376 3.177 1.00 0.00 O ATOM 0 H SER A 41 4.789 -6.153 1.680 1.00 0.00 H new ATOM 0 HA SER A 41 4.843 -5.370 4.518 1.00 0.00 H new ATOM 0 HB2 SER A 41 6.300 -7.572 4.729 1.00 0.00 H new ATOM 0 HB3 SER A 41 4.565 -7.595 4.974 1.00 0.00 H new ATOM 0 HG SER A 41 5.272 -9.282 3.545 1.00 0.00 H new ATOM 556 N PHE A 42 7.385 -5.074 4.369 1.00 0.00 N ATOM 557 CA PHE A 42 8.727 -4.557 4.165 1.00 0.00 C ATOM 558 C PHE A 42 9.583 -5.548 3.374 1.00 0.00 C ATOM 559 O PHE A 42 9.321 -6.750 3.390 1.00 0.00 O ATOM 560 CB PHE A 42 9.346 -4.360 5.550 1.00 0.00 C ATOM 561 CG PHE A 42 9.893 -2.951 5.793 1.00 0.00 C ATOM 562 CD1 PHE A 42 9.035 -1.914 5.987 1.00 0.00 C ATOM 563 CD2 PHE A 42 11.235 -2.737 5.816 1.00 0.00 C ATOM 564 CE1 PHE A 42 9.542 -0.606 6.213 1.00 0.00 C ATOM 565 CE2 PHE A 42 11.742 -1.430 6.041 1.00 0.00 C ATOM 566 CZ PHE A 42 10.885 -0.392 6.235 1.00 0.00 C ATOM 0 H PHE A 42 7.084 -5.105 5.343 1.00 0.00 H new ATOM 0 HA PHE A 42 8.684 -3.625 3.602 1.00 0.00 H new ATOM 0 HB2 PHE A 42 8.594 -4.582 6.307 1.00 0.00 H new ATOM 0 HB3 PHE A 42 10.154 -5.080 5.681 1.00 0.00 H new ATOM 0 HD1 PHE A 42 7.969 -2.085 5.969 1.00 0.00 H new ATOM 0 HD2 PHE A 42 11.916 -3.561 5.663 1.00 0.00 H new ATOM 0 HE1 PHE A 42 8.861 0.218 6.367 1.00 0.00 H new ATOM 0 HE2 PHE A 42 12.808 -1.260 6.058 1.00 0.00 H new ATOM 0 HZ PHE A 42 11.271 0.602 6.407 1.00 0.00 H new ATOM 576 N PRO A 43 10.614 -4.994 2.683 1.00 0.00 N ATOM 577 CA PRO A 43 10.854 -3.561 2.718 1.00 0.00 C ATOM 578 C PRO A 43 9.832 -2.812 1.861 1.00 0.00 C ATOM 579 O PRO A 43 9.958 -1.607 1.649 1.00 0.00 O ATOM 580 CB PRO A 43 12.282 -3.389 2.226 1.00 0.00 C ATOM 581 CG PRO A 43 12.629 -4.677 1.496 1.00 0.00 C ATOM 582 CD PRO A 43 11.576 -5.713 1.852 1.00 0.00 C ATOM 0 HA PRO A 43 10.737 -3.140 3.716 1.00 0.00 H new ATOM 0 HB2 PRO A 43 12.365 -2.529 1.562 1.00 0.00 H new ATOM 0 HB3 PRO A 43 12.964 -3.216 3.059 1.00 0.00 H new ATOM 0 HG2 PRO A 43 12.652 -4.511 0.419 1.00 0.00 H new ATOM 0 HG3 PRO A 43 13.620 -5.025 1.786 1.00 0.00 H new ATOM 0 HD2 PRO A 43 11.102 -6.119 0.958 1.00 0.00 H new ATOM 0 HD3 PRO A 43 12.014 -6.554 2.390 1.00 0.00 H new ATOM 590 N VAL A 44 8.843 -3.558 1.390 1.00 0.00 N ATOM 591 CA VAL A 44 7.799 -2.980 0.561 1.00 0.00 C ATOM 592 C VAL A 44 6.913 -2.075 1.419 1.00 0.00 C ATOM 593 O VAL A 44 6.484 -1.013 0.970 1.00 0.00 O ATOM 594 CB VAL A 44 7.016 -4.089 -0.144 1.00 0.00 C ATOM 595 CG1 VAL A 44 6.332 -3.561 -1.406 1.00 0.00 C ATOM 596 CG2 VAL A 44 7.922 -5.279 -0.468 1.00 0.00 C ATOM 0 H VAL A 44 8.743 -4.558 1.567 1.00 0.00 H new ATOM 0 HA VAL A 44 8.234 -2.359 -0.222 1.00 0.00 H new ATOM 0 HB VAL A 44 6.239 -4.435 0.538 1.00 0.00 H new ATOM 0 HG11 VAL A 44 5.783 -4.370 -1.888 1.00 0.00 H new ATOM 0 HG12 VAL A 44 5.641 -2.762 -1.138 1.00 0.00 H new ATOM 0 HG13 VAL A 44 7.085 -3.174 -2.093 1.00 0.00 H new ATOM 0 HG21 VAL A 44 7.341 -6.053 -0.969 1.00 0.00 H new ATOM 0 HG22 VAL A 44 8.731 -4.953 -1.122 1.00 0.00 H new ATOM 0 HG23 VAL A 44 8.341 -5.680 0.455 1.00 0.00 H new ATOM 606 N SER A 45 6.666 -2.528 2.640 1.00 0.00 N ATOM 607 CA SER A 45 5.839 -1.773 3.565 1.00 0.00 C ATOM 608 C SER A 45 6.362 -0.340 3.685 1.00 0.00 C ATOM 609 O SER A 45 5.641 0.552 4.129 1.00 0.00 O ATOM 610 CB SER A 45 5.802 -2.441 4.941 1.00 0.00 C ATOM 611 OG SER A 45 5.873 -1.488 5.999 1.00 0.00 O ATOM 0 H SER A 45 7.024 -3.409 3.010 1.00 0.00 H new ATOM 0 HA SER A 45 4.822 -1.750 3.174 1.00 0.00 H new ATOM 0 HB2 SER A 45 4.885 -3.022 5.037 1.00 0.00 H new ATOM 0 HB3 SER A 45 6.633 -3.141 5.027 1.00 0.00 H new ATOM 0 HG SER A 45 5.845 -1.953 6.861 1.00 0.00 H new ATOM 617 N GLN A 46 7.612 -0.164 3.280 1.00 0.00 N ATOM 618 CA GLN A 46 8.239 1.145 3.336 1.00 0.00 C ATOM 619 C GLN A 46 7.926 1.938 2.066 1.00 0.00 C ATOM 620 O GLN A 46 7.954 3.168 2.076 1.00 0.00 O ATOM 621 CB GLN A 46 9.749 1.021 3.547 1.00 0.00 C ATOM 622 CG GLN A 46 10.494 2.174 2.872 1.00 0.00 C ATOM 623 CD GLN A 46 11.977 2.164 3.248 1.00 0.00 C ATOM 624 OE1 GLN A 46 12.791 1.478 2.653 1.00 0.00 O ATOM 625 NE2 GLN A 46 12.281 2.963 4.268 1.00 0.00 N ATOM 0 H GLN A 46 8.207 -0.906 2.912 1.00 0.00 H new ATOM 0 HA GLN A 46 7.830 1.686 4.189 1.00 0.00 H new ATOM 0 HB2 GLN A 46 9.971 1.015 4.614 1.00 0.00 H new ATOM 0 HB3 GLN A 46 10.099 0.071 3.143 1.00 0.00 H new ATOM 0 HG2 GLN A 46 10.389 2.095 1.790 1.00 0.00 H new ATOM 0 HG3 GLN A 46 10.047 3.123 3.167 1.00 0.00 H new ATOM 0 HE21 GLN A 46 11.550 3.511 4.722 1.00 0.00 H new ATOM 0 HE22 GLN A 46 13.245 3.028 4.596 1.00 0.00 H new ATOM 634 N SER A 47 7.636 1.202 1.003 1.00 0.00 N ATOM 635 CA SER A 47 7.318 1.822 -0.272 1.00 0.00 C ATOM 636 C SER A 47 5.903 2.403 -0.233 1.00 0.00 C ATOM 637 O SER A 47 5.650 3.469 -0.792 1.00 0.00 O ATOM 638 CB SER A 47 7.449 0.818 -1.419 1.00 0.00 C ATOM 639 OG SER A 47 8.571 -0.044 -1.250 1.00 0.00 O ATOM 0 H SER A 47 7.615 0.182 0.999 1.00 0.00 H new ATOM 0 HA SER A 47 8.030 2.629 -0.448 1.00 0.00 H new ATOM 0 HB2 SER A 47 6.540 0.221 -1.483 1.00 0.00 H new ATOM 0 HB3 SER A 47 7.544 1.356 -2.362 1.00 0.00 H new ATOM 0 HG SER A 47 8.618 -0.671 -2.002 1.00 0.00 H new ATOM 645 N CYS A 48 5.017 1.676 0.432 1.00 0.00 N ATOM 646 CA CYS A 48 3.634 2.106 0.551 1.00 0.00 C ATOM 647 C CYS A 48 3.620 3.527 1.116 1.00 0.00 C ATOM 648 O CYS A 48 3.167 4.458 0.452 1.00 0.00 O ATOM 649 CB CYS A 48 2.814 1.141 1.410 1.00 0.00 C ATOM 650 SG CYS A 48 1.320 1.874 2.172 1.00 0.00 S ATOM 0 H CYS A 48 5.230 0.792 0.894 1.00 0.00 H new ATOM 0 HA CYS A 48 3.163 2.103 -0.432 1.00 0.00 H new ATOM 0 HB2 CYS A 48 2.512 0.294 0.793 1.00 0.00 H new ATOM 0 HB3 CYS A 48 3.453 0.748 2.201 1.00 0.00 H new ATOM 655 N ALA A 49 4.121 3.650 2.336 1.00 0.00 N ATOM 656 CA ALA A 49 4.172 4.942 2.998 1.00 0.00 C ATOM 657 C ALA A 49 5.030 5.901 2.171 1.00 0.00 C ATOM 658 O ALA A 49 4.983 7.114 2.371 1.00 0.00 O ATOM 659 CB ALA A 49 4.702 4.766 4.422 1.00 0.00 C ATOM 0 H ALA A 49 4.496 2.875 2.884 1.00 0.00 H new ATOM 0 HA ALA A 49 3.174 5.374 3.073 1.00 0.00 H new ATOM 0 HB1 ALA A 49 4.740 5.736 4.918 1.00 0.00 H new ATOM 0 HB2 ALA A 49 4.041 4.100 4.977 1.00 0.00 H new ATOM 0 HB3 ALA A 49 5.703 4.337 4.387 1.00 0.00 H new ATOM 665 N GLY A 50 5.796 5.321 1.258 1.00 0.00 N ATOM 666 CA GLY A 50 6.664 6.109 0.399 1.00 0.00 C ATOM 667 C GLY A 50 5.888 6.678 -0.791 1.00 0.00 C ATOM 668 O GLY A 50 5.884 7.888 -1.012 1.00 0.00 O ATOM 0 H GLY A 50 5.833 4.315 1.095 1.00 0.00 H new ATOM 0 HA2 GLY A 50 7.107 6.924 0.972 1.00 0.00 H new ATOM 0 HA3 GLY A 50 7.485 5.489 0.039 1.00 0.00 H new ATOM 672 N MET A 51 5.251 5.778 -1.526 1.00 0.00 N ATOM 673 CA MET A 51 4.474 6.176 -2.687 1.00 0.00 C ATOM 674 C MET A 51 3.054 6.582 -2.285 1.00 0.00 C ATOM 675 O MET A 51 2.170 6.683 -3.133 1.00 0.00 O ATOM 676 CB MET A 51 4.410 5.014 -3.681 1.00 0.00 C ATOM 677 CG MET A 51 3.766 5.453 -4.997 1.00 0.00 C ATOM 678 SD MET A 51 4.954 5.342 -6.325 1.00 0.00 S ATOM 679 CE MET A 51 4.858 7.005 -6.967 1.00 0.00 C ATOM 0 H MET A 51 5.257 4.775 -1.340 1.00 0.00 H new ATOM 0 HA MET A 51 4.960 7.035 -3.149 1.00 0.00 H new ATOM 0 HB2 MET A 51 5.415 4.638 -3.872 1.00 0.00 H new ATOM 0 HB3 MET A 51 3.839 4.192 -3.249 1.00 0.00 H new ATOM 0 HG2 MET A 51 2.903 4.824 -5.217 1.00 0.00 H new ATOM 0 HG3 MET A 51 3.401 6.476 -4.909 1.00 0.00 H new ATOM 0 HE1 MET A 51 5.542 7.110 -7.809 1.00 0.00 H new ATOM 0 HE2 MET A 51 3.840 7.208 -7.299 1.00 0.00 H new ATOM 0 HE3 MET A 51 5.133 7.713 -6.185 1.00 0.00 H new ATOM 689 N ALA A 52 2.881 6.803 -0.990 1.00 0.00 N ATOM 690 CA ALA A 52 1.585 7.195 -0.464 1.00 0.00 C ATOM 691 C ALA A 52 1.470 8.721 -0.490 1.00 0.00 C ATOM 692 O ALA A 52 0.668 9.299 0.243 1.00 0.00 O ATOM 693 CB ALA A 52 1.409 6.621 0.943 1.00 0.00 C ATOM 0 H ALA A 52 3.617 6.718 -0.289 1.00 0.00 H new ATOM 0 HA ALA A 52 0.782 6.793 -1.082 1.00 0.00 H new ATOM 0 HB1 ALA A 52 0.436 6.916 1.337 1.00 0.00 H new ATOM 0 HB2 ALA A 52 1.470 5.533 0.903 1.00 0.00 H new ATOM 0 HB3 ALA A 52 2.195 7.004 1.593 1.00 0.00 H new ATOM 699 N ASP A 53 2.283 9.330 -1.340 1.00 0.00 N ATOM 700 CA ASP A 53 2.282 10.777 -1.471 1.00 0.00 C ATOM 701 C ASP A 53 2.625 11.406 -0.119 1.00 0.00 C ATOM 702 O ASP A 53 2.364 10.817 0.928 1.00 0.00 O ATOM 703 CB ASP A 53 0.906 11.291 -1.896 1.00 0.00 C ATOM 704 CG ASP A 53 0.747 11.550 -3.395 1.00 0.00 C ATOM 705 OD1 ASP A 53 1.764 11.407 -4.107 1.00 0.00 O ATOM 706 OD2 ASP A 53 -0.389 11.885 -3.796 1.00 0.00 O ATOM 0 H ASP A 53 2.947 8.848 -1.945 1.00 0.00 H new ATOM 0 HA ASP A 53 3.017 11.048 -2.229 1.00 0.00 H new ATOM 0 HB2 ASP A 53 0.153 10.567 -1.586 1.00 0.00 H new ATOM 0 HB3 ASP A 53 0.699 12.216 -1.359 1.00 0.00 H new ATOM 711 N SER A 54 3.206 12.596 -0.187 1.00 0.00 N ATOM 712 CA SER A 54 3.587 13.311 1.019 1.00 0.00 C ATOM 713 C SER A 54 2.619 14.469 1.269 1.00 0.00 C ATOM 714 O SER A 54 1.647 14.321 2.008 1.00 0.00 O ATOM 715 CB SER A 54 5.022 13.832 0.919 1.00 0.00 C ATOM 716 OG SER A 54 5.922 13.076 1.725 1.00 0.00 O ATOM 0 H SER A 54 3.422 13.082 -1.058 1.00 0.00 H new ATOM 0 HA SER A 54 3.538 12.617 1.858 1.00 0.00 H new ATOM 0 HB2 SER A 54 5.349 13.797 -0.120 1.00 0.00 H new ATOM 0 HB3 SER A 54 5.050 14.877 1.227 1.00 0.00 H new ATOM 0 HG SER A 54 6.828 13.439 1.632 1.00 0.00 H new ATOM 722 N ASN A 55 2.917 15.595 0.638 1.00 0.00 N ATOM 723 CA ASN A 55 2.085 16.777 0.783 1.00 0.00 C ATOM 724 C ASN A 55 1.004 16.771 -0.300 1.00 0.00 C ATOM 725 O ASN A 55 0.059 17.556 -0.243 1.00 0.00 O ATOM 726 CB ASN A 55 2.910 18.055 0.620 1.00 0.00 C ATOM 727 CG ASN A 55 2.491 19.113 1.643 1.00 0.00 C ATOM 728 OD1 ASN A 55 2.464 18.879 2.840 1.00 0.00 O ATOM 729 ND2 ASN A 55 2.168 20.286 1.107 1.00 0.00 N ATOM 0 H ASN A 55 3.723 15.714 0.025 1.00 0.00 H new ATOM 0 HA ASN A 55 1.643 16.758 1.779 1.00 0.00 H new ATOM 0 HB2 ASN A 55 3.969 17.826 0.741 1.00 0.00 H new ATOM 0 HB3 ASN A 55 2.782 18.448 -0.388 1.00 0.00 H new ATOM 0 HD21 ASN A 55 1.876 21.058 1.707 1.00 0.00 H new ATOM 0 HD22 ASN A 55 2.213 20.414 0.096 1.00 0.00 H new ATOM 736 N ASP A 56 1.180 15.876 -1.261 1.00 0.00 N ATOM 737 CA ASP A 56 0.232 15.757 -2.355 1.00 0.00 C ATOM 738 C ASP A 56 -1.037 15.065 -1.852 1.00 0.00 C ATOM 739 O ASP A 56 -2.130 15.326 -2.352 1.00 0.00 O ATOM 740 CB ASP A 56 0.809 14.915 -3.495 1.00 0.00 C ATOM 741 CG ASP A 56 0.569 15.475 -4.898 1.00 0.00 C ATOM 742 OD1 ASP A 56 0.943 16.649 -5.113 1.00 0.00 O ATOM 743 OD2 ASP A 56 0.018 14.717 -5.725 1.00 0.00 O ATOM 0 H ASP A 56 1.965 15.226 -1.304 1.00 0.00 H new ATOM 0 HA ASP A 56 0.013 16.760 -2.722 1.00 0.00 H new ATOM 0 HB2 ASP A 56 1.883 14.810 -3.341 1.00 0.00 H new ATOM 0 HB3 ASP A 56 0.380 13.915 -3.441 1.00 0.00 H new ATOM 748 N CYS A 57 -0.849 14.198 -0.868 1.00 0.00 N ATOM 749 CA CYS A 57 -1.965 13.467 -0.292 1.00 0.00 C ATOM 750 C CYS A 57 -2.654 14.371 0.731 1.00 0.00 C ATOM 751 O CYS A 57 -2.138 15.435 1.072 1.00 0.00 O ATOM 752 CB CYS A 57 -1.513 12.143 0.328 1.00 0.00 C ATOM 753 SG CYS A 57 -2.199 10.647 -0.473 1.00 0.00 S ATOM 0 H CYS A 57 0.059 13.985 -0.455 1.00 0.00 H new ATOM 0 HA CYS A 57 -2.674 13.202 -1.076 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -0.425 12.092 0.289 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -1.795 12.136 1.381 1.00 0.00 H new ATOM 758 N PRO A 58 -3.840 13.904 1.205 1.00 0.00 N ATOM 759 CA PRO A 58 -4.605 14.658 2.183 1.00 0.00 C ATOM 760 C PRO A 58 -3.971 14.558 3.572 1.00 0.00 C ATOM 761 O PRO A 58 -4.623 14.140 4.527 1.00 0.00 O ATOM 762 CB PRO A 58 -6.005 14.070 2.126 1.00 0.00 C ATOM 763 CG PRO A 58 -5.859 12.711 1.462 1.00 0.00 C ATOM 764 CD PRO A 58 -4.481 12.649 0.824 1.00 0.00 C ATOM 0 HA PRO A 58 -4.627 15.726 1.966 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -6.429 13.973 3.126 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -6.676 14.713 1.556 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -5.976 11.913 2.196 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -6.635 12.569 0.710 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -3.916 11.790 1.185 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -4.550 12.553 -0.260 1.00 0.00 H new ATOM 772 N ASN A 59 -2.706 14.948 3.640 1.00 0.00 N ATOM 773 CA ASN A 59 -1.977 14.907 4.896 1.00 0.00 C ATOM 774 C ASN A 59 -1.947 16.309 5.509 1.00 0.00 C ATOM 775 O ASN A 59 -2.779 17.153 5.179 1.00 0.00 O ATOM 776 CB ASN A 59 -0.531 14.455 4.679 1.00 0.00 C ATOM 777 CG ASN A 59 -0.171 13.302 5.617 1.00 0.00 C ATOM 778 OD1 ASN A 59 -0.957 12.872 6.444 1.00 0.00 O ATOM 779 ND2 ASN A 59 1.059 12.827 5.442 1.00 0.00 N ATOM 0 H ASN A 59 -2.168 15.294 2.846 1.00 0.00 H new ATOM 0 HA ASN A 59 -2.481 14.200 5.556 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -0.395 14.142 3.644 1.00 0.00 H new ATOM 0 HB3 ASN A 59 0.145 15.293 4.850 1.00 0.00 H new ATOM 0 HD21 ASN A 59 1.395 12.056 6.019 1.00 0.00 H new ATOM 0 HD22 ASN A 59 1.666 13.234 4.730 1.00 0.00 H new ATOM 786 N ALA A 60 -0.979 16.514 6.390 1.00 0.00 N ATOM 787 CA ALA A 60 -0.829 17.798 7.052 1.00 0.00 C ATOM 788 C ALA A 60 0.432 17.777 7.918 1.00 0.00 C ATOM 789 O ALA A 60 0.779 18.780 8.540 1.00 0.00 O ATOM 790 CB ALA A 60 -2.089 18.104 7.865 1.00 0.00 C ATOM 0 H ALA A 60 -0.291 15.812 6.661 1.00 0.00 H new ATOM 0 HA ALA A 60 -0.712 18.596 6.319 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -1.976 19.068 8.362 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -2.952 18.137 7.200 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -2.237 17.325 8.613 1.00 0.00 H new TER 796 ALA A 60