USER MOD reduce.3.24.130724 H: found=0, std=0, add=639, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 637 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 6 SER OG : rot 180:sc= -0.627 USER MOD Set 1.2: A 7 SER OG : rot 56:sc= 1.14 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 128:sc= 0.117 (180deg=-0.12) USER MOD Single : A 2 THR OG1 : rot 32:sc= 0.608 USER MOD Single : A 10 HIS :FLIP no HD1:sc= -1.45 F(o=-3.5!,f=-1.4) USER MOD Single : A 11 THR OG1 : rot 180:sc= -0.0179 USER MOD Single : A 19 CYS SG : rot 180:sc= -2.25! USER MOD Single : A 24 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 25 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 ASN : amide:sc= -9.11! C(o=-9.1!,f=-19!) USER MOD Single : A 33 MET CE :methyl 180:sc= -11.8! (180deg=-11.8!) USER MOD Single : A 34 GLN : amide:sc= 0 X(o=0,f=-0.056) USER MOD Single : A 38 THR OG1 : rot 180:sc= -0.0532 USER MOD Single : A 48 THR OG1 : rot -74:sc= -5.66! USER MOD Single : A 49 THR OG1 : rot 180:sc=-0.00888 USER MOD Single : A 56 CYS SG : rot -97:sc= -13.4! USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 MET CE :methyl 137:sc= -0.308 (180deg=-2.91!) USER MOD Single : A 61 HIS : no HE2:sc= -15.4! C(o=-15!,f=-21!) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 TYR OH : rot 30:sc= -0.379 USER MOD Single : A 75 TYR OH : rot 176:sc= -10.6! USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -20.793 9.638 -0.703 1.00 0.00 N ATOM 2 CA MET A 1 -20.110 8.472 -1.330 1.00 0.00 C ATOM 3 C MET A 1 -19.453 7.619 -0.243 1.00 0.00 C ATOM 4 O MET A 1 -19.438 7.981 0.917 1.00 0.00 O ATOM 5 CB MET A 1 -19.039 8.972 -2.303 1.00 0.00 C ATOM 6 CG MET A 1 -17.961 9.733 -1.531 1.00 0.00 C ATOM 7 SD MET A 1 -16.477 9.883 -2.555 1.00 0.00 S ATOM 8 CE MET A 1 -15.319 9.124 -1.390 1.00 0.00 C ATOM 0 H1 MET A 1 -20.481 10.514 -1.168 1.00 0.00 H new ATOM 0 H2 MET A 1 -21.822 9.537 -0.811 1.00 0.00 H new ATOM 0 H3 MET A 1 -20.553 9.678 0.308 1.00 0.00 H new ATOM 0 HA MET A 1 -20.841 7.871 -1.870 1.00 0.00 H new ATOM 0 HB2 MET A 1 -18.595 8.130 -2.834 1.00 0.00 H new ATOM 0 HB3 MET A 1 -19.490 9.621 -3.054 1.00 0.00 H new ATOM 0 HG2 MET A 1 -18.326 10.722 -1.255 1.00 0.00 H new ATOM 0 HG3 MET A 1 -17.725 9.210 -0.604 1.00 0.00 H new ATOM 0 HE1 MET A 1 -14.320 9.112 -1.826 1.00 0.00 H new ATOM 0 HE2 MET A 1 -15.304 9.700 -0.465 1.00 0.00 H new ATOM 0 HE3 MET A 1 -15.634 8.103 -1.177 1.00 0.00 H new ATOM 20 N THR A 2 -18.910 6.490 -0.608 1.00 0.00 N ATOM 21 CA THR A 2 -18.255 5.616 0.406 1.00 0.00 C ATOM 22 C THR A 2 -16.736 5.695 0.243 1.00 0.00 C ATOM 23 O THR A 2 -16.196 5.380 -0.798 1.00 0.00 O ATOM 24 CB THR A 2 -18.715 4.170 0.207 1.00 0.00 C ATOM 25 OG1 THR A 2 -18.367 3.740 -1.102 1.00 0.00 O ATOM 26 CG2 THR A 2 -20.232 4.087 0.387 1.00 0.00 C ATOM 0 H THR A 2 -18.892 6.135 -1.564 1.00 0.00 H new ATOM 0 HA THR A 2 -18.531 5.951 1.406 1.00 0.00 H new ATOM 0 HB THR A 2 -18.228 3.529 0.942 1.00 0.00 H new ATOM 0 HG1 THR A 2 -17.541 4.185 -1.384 1.00 0.00 H new ATOM 0 HG21 THR A 2 -20.559 3.057 0.245 1.00 0.00 H new ATOM 0 HG22 THR A 2 -20.498 4.417 1.391 1.00 0.00 H new ATOM 0 HG23 THR A 2 -20.721 4.727 -0.347 1.00 0.00 H new ATOM 34 N ASP A 3 -16.043 6.115 1.266 1.00 0.00 N ATOM 35 CA ASP A 3 -14.560 6.216 1.168 1.00 0.00 C ATOM 36 C ASP A 3 -13.962 4.817 1.010 1.00 0.00 C ATOM 37 O ASP A 3 -14.314 3.897 1.721 1.00 0.00 O ATOM 38 CB ASP A 3 -14.008 6.865 2.440 1.00 0.00 C ATOM 39 CG ASP A 3 -14.297 5.962 3.641 1.00 0.00 C ATOM 40 OD1 ASP A 3 -15.448 5.597 3.819 1.00 0.00 O ATOM 41 OD2 ASP A 3 -13.364 5.652 4.363 1.00 0.00 O ATOM 0 H ASP A 3 -16.439 6.392 2.164 1.00 0.00 H new ATOM 0 HA ASP A 3 -14.294 6.824 0.304 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -12.934 7.026 2.342 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -14.464 7.844 2.589 1.00 0.00 H new ATOM 46 N LEU A 4 -13.060 4.648 0.082 1.00 0.00 N ATOM 47 CA LEU A 4 -12.441 3.308 -0.120 1.00 0.00 C ATOM 48 C LEU A 4 -11.376 3.073 0.953 1.00 0.00 C ATOM 49 O LEU A 4 -10.959 1.958 1.195 1.00 0.00 O ATOM 50 CB LEU A 4 -11.792 3.248 -1.504 1.00 0.00 C ATOM 51 CG LEU A 4 -12.873 3.356 -2.580 1.00 0.00 C ATOM 52 CD1 LEU A 4 -12.236 3.796 -3.898 1.00 0.00 C ATOM 53 CD2 LEU A 4 -13.544 1.994 -2.766 1.00 0.00 C ATOM 0 H LEU A 4 -12.725 5.380 -0.545 1.00 0.00 H new ATOM 0 HA LEU A 4 -13.209 2.538 -0.046 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -11.072 4.058 -1.615 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -11.242 2.314 -1.619 1.00 0.00 H new ATOM 0 HG LEU A 4 -13.619 4.089 -2.275 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -13.006 3.873 -4.666 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -11.757 4.766 -3.765 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -11.490 3.063 -4.204 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -14.315 2.070 -3.533 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -12.799 1.260 -3.072 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -13.997 1.680 -1.826 1.00 0.00 H new ATOM 65 N PHE A 5 -10.931 4.117 1.598 1.00 0.00 N ATOM 66 CA PHE A 5 -9.893 3.956 2.652 1.00 0.00 C ATOM 67 C PHE A 5 -10.561 3.649 3.991 1.00 0.00 C ATOM 68 O PHE A 5 -9.950 3.764 5.035 1.00 0.00 O ATOM 69 CB PHE A 5 -9.076 5.241 2.767 1.00 0.00 C ATOM 70 CG PHE A 5 -7.887 5.169 1.836 1.00 0.00 C ATOM 71 CD1 PHE A 5 -7.898 4.301 0.740 1.00 0.00 C ATOM 72 CD2 PHE A 5 -6.772 5.971 2.069 1.00 0.00 C ATOM 73 CE1 PHE A 5 -6.792 4.243 -0.116 1.00 0.00 C ATOM 74 CE2 PHE A 5 -5.676 5.910 1.202 1.00 0.00 C ATOM 75 CZ PHE A 5 -5.681 5.051 0.115 1.00 0.00 C ATOM 0 H PHE A 5 -11.243 5.075 1.439 1.00 0.00 H new ATOM 0 HA PHE A 5 -9.232 3.132 2.384 1.00 0.00 H new ATOM 0 HB2 PHE A 5 -9.696 6.102 2.516 1.00 0.00 H new ATOM 0 HB3 PHE A 5 -8.739 5.379 3.794 1.00 0.00 H new ATOM 0 HD1 PHE A 5 -8.759 3.676 0.554 1.00 0.00 H new ATOM 0 HD2 PHE A 5 -6.754 6.639 2.918 1.00 0.00 H new ATOM 0 HE1 PHE A 5 -6.800 3.569 -0.960 1.00 0.00 H new ATOM 0 HE2 PHE A 5 -4.817 6.539 1.382 1.00 0.00 H new ATOM 0 HZ PHE A 5 -4.830 5.008 -0.548 1.00 0.00 H new ATOM 85 N SER A 6 -11.806 3.259 3.971 1.00 0.00 N ATOM 86 CA SER A 6 -12.503 2.939 5.246 1.00 0.00 C ATOM 87 C SER A 6 -11.594 2.061 6.105 1.00 0.00 C ATOM 88 O SER A 6 -10.535 1.647 5.680 1.00 0.00 O ATOM 89 CB SER A 6 -13.798 2.189 4.943 1.00 0.00 C ATOM 90 OG SER A 6 -14.239 1.517 6.117 1.00 0.00 O ATOM 0 H SER A 6 -12.369 3.149 3.128 1.00 0.00 H new ATOM 0 HA SER A 6 -12.736 3.860 5.780 1.00 0.00 H new ATOM 0 HB2 SER A 6 -14.563 2.885 4.600 1.00 0.00 H new ATOM 0 HB3 SER A 6 -13.636 1.471 4.139 1.00 0.00 H new ATOM 0 HG SER A 6 -15.071 1.036 5.926 1.00 0.00 H new ATOM 96 N SER A 7 -11.997 1.765 7.307 1.00 0.00 N ATOM 97 CA SER A 7 -11.139 0.915 8.181 1.00 0.00 C ATOM 98 C SER A 7 -10.662 -0.302 7.380 1.00 0.00 C ATOM 99 O SER A 7 -11.424 -1.218 7.140 1.00 0.00 O ATOM 100 CB SER A 7 -11.955 0.443 9.385 1.00 0.00 C ATOM 101 OG SER A 7 -13.020 -0.385 8.936 1.00 0.00 O ATOM 0 H SER A 7 -12.877 2.071 7.722 1.00 0.00 H new ATOM 0 HA SER A 7 -10.279 1.489 8.527 1.00 0.00 H new ATOM 0 HB2 SER A 7 -11.318 -0.108 10.077 1.00 0.00 H new ATOM 0 HB3 SER A 7 -12.351 1.300 9.929 1.00 0.00 H new ATOM 0 HG SER A 7 -12.657 -1.127 8.408 1.00 0.00 H new ATOM 107 N PRO A 8 -9.412 -0.270 6.980 1.00 0.00 N ATOM 108 CA PRO A 8 -8.806 -1.357 6.189 1.00 0.00 C ATOM 109 C PRO A 8 -8.517 -2.567 7.078 1.00 0.00 C ATOM 110 O PRO A 8 -8.538 -2.479 8.290 1.00 0.00 O ATOM 111 CB PRO A 8 -7.513 -0.739 5.651 1.00 0.00 C ATOM 112 CG PRO A 8 -7.168 0.438 6.592 1.00 0.00 C ATOM 113 CD PRO A 8 -8.482 0.838 7.289 1.00 0.00 C ATOM 0 HA PRO A 8 -9.454 -1.721 5.392 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -6.708 -1.474 5.637 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -7.646 -0.391 4.626 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -6.415 0.143 7.323 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -6.756 1.276 6.030 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -8.343 0.953 8.364 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -8.858 1.789 6.913 1.00 0.00 H new ATOM 121 N ASP A 9 -8.248 -3.696 6.487 1.00 0.00 N ATOM 122 CA ASP A 9 -7.957 -4.909 7.299 1.00 0.00 C ATOM 123 C ASP A 9 -6.513 -4.848 7.798 1.00 0.00 C ATOM 124 O ASP A 9 -6.155 -5.476 8.774 1.00 0.00 O ATOM 125 CB ASP A 9 -8.147 -6.157 6.435 1.00 0.00 C ATOM 126 CG ASP A 9 -9.615 -6.277 6.026 1.00 0.00 C ATOM 127 OD1 ASP A 9 -10.444 -6.436 6.907 1.00 0.00 O ATOM 128 OD2 ASP A 9 -9.887 -6.208 4.839 1.00 0.00 O ATOM 0 H ASP A 9 -8.217 -3.832 5.477 1.00 0.00 H new ATOM 0 HA ASP A 9 -8.636 -4.951 8.151 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -7.515 -6.098 5.549 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -7.839 -7.045 6.987 1.00 0.00 H new ATOM 133 N HIS A 10 -5.679 -4.102 7.128 1.00 0.00 N ATOM 134 CA HIS A 10 -4.258 -4.004 7.553 1.00 0.00 C ATOM 135 C HIS A 10 -3.734 -2.598 7.262 1.00 0.00 C ATOM 136 O HIS A 10 -4.411 -1.796 6.660 1.00 0.00 O ATOM 137 CB HIS A 10 -3.440 -5.018 6.758 1.00 0.00 C ATOM 138 CG HIS A 10 -3.572 -6.376 7.385 1.00 0.00 C ATOM 139 ND1 HIS A 10 -4.646 -7.221 7.515 1.00 0.00 N flip ATOM 140 CD2 HIS A 10 -2.503 -7.026 7.978 1.00 0.00 C flip ATOM 141 CE1 HIS A 10 -4.251 -8.380 8.178 1.00 0.00 C flip ATOM 142 NE2 HIS A 10 -2.951 -8.210 8.434 1.00 0.00 N flip ATOM 0 H HIS A 10 -5.923 -3.555 6.302 1.00 0.00 H new ATOM 0 HA HIS A 10 -4.175 -4.207 8.621 1.00 0.00 H new ATOM 0 HB2 HIS A 10 -3.785 -5.049 5.725 1.00 0.00 H new ATOM 0 HB3 HIS A 10 -2.393 -4.717 6.735 1.00 0.00 H new ATOM 0 HD2 HIS A 10 -1.493 -6.651 8.060 1.00 0.00 H new ATOM 0 HE1 HIS A 10 -4.864 -9.233 8.431 1.00 0.00 H new ATOM 0 HE2 HIS A 10 -2.369 -8.895 8.916 1.00 0.00 H new ATOM 150 N THR A 11 -2.535 -2.289 7.681 1.00 0.00 N ATOM 151 CA THR A 11 -1.978 -0.935 7.412 1.00 0.00 C ATOM 152 C THR A 11 -0.468 -1.038 7.183 1.00 0.00 C ATOM 153 O THR A 11 0.163 -2.005 7.559 1.00 0.00 O ATOM 154 CB THR A 11 -2.233 -0.037 8.615 1.00 0.00 C ATOM 155 OG1 THR A 11 -3.622 -0.023 8.910 1.00 0.00 O ATOM 156 CG2 THR A 11 -1.753 1.386 8.313 1.00 0.00 C ATOM 0 H THR A 11 -1.919 -2.917 8.198 1.00 0.00 H new ATOM 0 HA THR A 11 -2.458 -0.518 6.527 1.00 0.00 H new ATOM 0 HB THR A 11 -1.684 -0.422 9.475 1.00 0.00 H new ATOM 0 HG1 THR A 11 -3.786 0.554 9.685 1.00 0.00 H new ATOM 0 HG21 THR A 11 -1.938 2.024 9.177 1.00 0.00 H new ATOM 0 HG22 THR A 11 -0.685 1.371 8.095 1.00 0.00 H new ATOM 0 HG23 THR A 11 -2.294 1.777 7.451 1.00 0.00 H new ATOM 164 N LEU A 12 0.114 -0.039 6.583 1.00 0.00 N ATOM 165 CA LEU A 12 1.588 -0.064 6.344 1.00 0.00 C ATOM 166 C LEU A 12 2.150 1.346 6.439 1.00 0.00 C ATOM 167 O LEU A 12 1.987 2.142 5.543 1.00 0.00 O ATOM 168 CB LEU A 12 1.893 -0.596 4.944 1.00 0.00 C ATOM 169 CG LEU A 12 3.357 -0.263 4.557 1.00 0.00 C ATOM 170 CD1 LEU A 12 4.278 -0.482 5.761 1.00 0.00 C ATOM 171 CD2 LEU A 12 3.804 -1.188 3.431 1.00 0.00 C ATOM 0 H LEU A 12 -0.365 0.796 6.246 1.00 0.00 H new ATOM 0 HA LEU A 12 2.041 -0.710 7.096 1.00 0.00 H new ATOM 0 HB2 LEU A 12 1.737 -1.674 4.914 1.00 0.00 H new ATOM 0 HB3 LEU A 12 1.208 -0.154 4.221 1.00 0.00 H new ATOM 0 HG LEU A 12 3.411 0.777 4.237 1.00 0.00 H new ATOM 0 HD11 LEU A 12 5.305 -0.246 5.481 1.00 0.00 H new ATOM 0 HD12 LEU A 12 3.967 0.167 6.580 1.00 0.00 H new ATOM 0 HD13 LEU A 12 4.219 -1.523 6.080 1.00 0.00 H new ATOM 0 HD21 LEU A 12 4.833 -0.956 3.157 1.00 0.00 H new ATOM 0 HD22 LEU A 12 3.742 -2.224 3.765 1.00 0.00 H new ATOM 0 HD23 LEU A 12 3.157 -1.046 2.565 1.00 0.00 H new ATOM 183 N ASP A 13 2.858 1.649 7.478 1.00 0.00 N ATOM 184 CA ASP A 13 3.465 2.999 7.566 1.00 0.00 C ATOM 185 C ASP A 13 4.646 3.026 6.597 1.00 0.00 C ATOM 186 O ASP A 13 5.441 2.107 6.561 1.00 0.00 O ATOM 187 CB ASP A 13 3.955 3.258 8.992 1.00 0.00 C ATOM 188 CG ASP A 13 4.496 4.685 9.094 1.00 0.00 C ATOM 189 OD1 ASP A 13 4.117 5.501 8.271 1.00 0.00 O ATOM 190 OD2 ASP A 13 5.282 4.937 9.992 1.00 0.00 O ATOM 0 H ASP A 13 3.044 1.029 8.266 1.00 0.00 H new ATOM 0 HA ASP A 13 2.737 3.769 7.312 1.00 0.00 H new ATOM 0 HB2 ASP A 13 3.138 3.116 9.700 1.00 0.00 H new ATOM 0 HB3 ASP A 13 4.734 2.543 9.256 1.00 0.00 H new ATOM 195 N ALA A 14 4.792 4.059 5.821 1.00 0.00 N ATOM 196 CA ALA A 14 5.945 4.100 4.885 1.00 0.00 C ATOM 197 C ALA A 14 6.476 5.530 4.867 1.00 0.00 C ATOM 198 O ALA A 14 7.241 5.965 4.004 1.00 0.00 O ATOM 199 CB ALA A 14 5.518 3.612 3.511 1.00 0.00 C ATOM 0 H ALA A 14 4.171 4.868 5.793 1.00 0.00 H new ATOM 0 HA ALA A 14 6.746 3.435 5.208 1.00 0.00 H new ATOM 0 HB1 ALA A 14 6.370 3.646 2.832 1.00 0.00 H new ATOM 0 HB2 ALA A 14 5.154 2.587 3.586 1.00 0.00 H new ATOM 0 HB3 ALA A 14 4.723 4.252 3.128 1.00 0.00 H new ATOM 205 N LEU A 15 6.084 6.240 5.877 1.00 0.00 N ATOM 206 CA LEU A 15 6.540 7.614 6.079 1.00 0.00 C ATOM 207 C LEU A 15 7.946 7.517 6.638 1.00 0.00 C ATOM 208 O LEU A 15 8.163 7.065 7.745 1.00 0.00 O ATOM 209 CB LEU A 15 5.634 8.294 7.081 1.00 0.00 C ATOM 210 CG LEU A 15 4.176 7.966 6.771 1.00 0.00 C ATOM 211 CD1 LEU A 15 3.289 8.440 7.922 1.00 0.00 C ATOM 212 CD2 LEU A 15 3.773 8.684 5.488 1.00 0.00 C ATOM 0 H LEU A 15 5.441 5.902 6.593 1.00 0.00 H new ATOM 0 HA LEU A 15 6.523 8.189 5.153 1.00 0.00 H new ATOM 0 HB2 LEU A 15 5.883 7.966 8.090 1.00 0.00 H new ATOM 0 HB3 LEU A 15 5.788 9.373 7.050 1.00 0.00 H new ATOM 0 HG LEU A 15 4.056 6.890 6.647 1.00 0.00 H new ATOM 0 HD11 LEU A 15 2.248 8.205 7.700 1.00 0.00 H new ATOM 0 HD12 LEU A 15 3.586 7.936 8.842 1.00 0.00 H new ATOM 0 HD13 LEU A 15 3.399 9.517 8.047 1.00 0.00 H new ATOM 0 HD21 LEU A 15 2.732 8.457 5.256 1.00 0.00 H new ATOM 0 HD22 LEU A 15 3.889 9.760 5.621 1.00 0.00 H new ATOM 0 HD23 LEU A 15 4.409 8.349 4.669 1.00 0.00 H new ATOM 224 N GLY A 16 8.900 7.884 5.861 1.00 0.00 N ATOM 225 CA GLY A 16 10.309 7.760 6.309 1.00 0.00 C ATOM 226 C GLY A 16 10.820 6.390 5.854 1.00 0.00 C ATOM 227 O GLY A 16 11.968 6.043 6.048 1.00 0.00 O ATOM 0 H GLY A 16 8.774 8.269 4.925 1.00 0.00 H new ATOM 0 HA2 GLY A 16 10.918 8.557 5.882 1.00 0.00 H new ATOM 0 HA3 GLY A 16 10.376 7.853 7.393 1.00 0.00 H new ATOM 231 N LEU A 17 9.966 5.619 5.220 1.00 0.00 N ATOM 232 CA LEU A 17 10.369 4.290 4.715 1.00 0.00 C ATOM 233 C LEU A 17 10.774 4.462 3.283 1.00 0.00 C ATOM 234 O LEU A 17 10.243 5.291 2.586 1.00 0.00 O ATOM 235 CB LEU A 17 9.186 3.326 4.735 1.00 0.00 C ATOM 236 CG LEU A 17 8.772 2.990 6.159 1.00 0.00 C ATOM 237 CD1 LEU A 17 8.194 1.582 6.162 1.00 0.00 C ATOM 238 CD2 LEU A 17 9.972 3.027 7.087 1.00 0.00 C ATOM 0 H LEU A 17 8.995 5.869 5.034 1.00 0.00 H new ATOM 0 HA LEU A 17 11.173 3.895 5.336 1.00 0.00 H new ATOM 0 HB2 LEU A 17 8.344 3.769 4.204 1.00 0.00 H new ATOM 0 HB3 LEU A 17 9.451 2.411 4.205 1.00 0.00 H new ATOM 0 HG LEU A 17 8.039 3.719 6.505 1.00 0.00 H new ATOM 0 HD11 LEU A 17 7.889 1.316 7.174 1.00 0.00 H new ATOM 0 HD12 LEU A 17 7.329 1.542 5.500 1.00 0.00 H new ATOM 0 HD13 LEU A 17 8.950 0.878 5.814 1.00 0.00 H new ATOM 0 HD21 LEU A 17 9.655 2.784 8.101 1.00 0.00 H new ATOM 0 HD22 LEU A 17 10.712 2.300 6.754 1.00 0.00 H new ATOM 0 HD23 LEU A 17 10.412 4.024 7.073 1.00 0.00 H new ATOM 250 N ARG A 18 11.680 3.691 2.816 1.00 0.00 N ATOM 251 CA ARG A 18 12.051 3.856 1.402 1.00 0.00 C ATOM 252 C ARG A 18 12.333 2.501 0.795 1.00 0.00 C ATOM 253 O ARG A 18 12.783 1.593 1.461 1.00 0.00 O ATOM 254 CB ARG A 18 13.254 4.768 1.295 1.00 0.00 C ATOM 255 CG ARG A 18 14.266 4.426 2.390 1.00 0.00 C ATOM 256 CD ARG A 18 15.525 5.277 2.205 1.00 0.00 C ATOM 257 NE ARG A 18 16.569 4.837 3.171 1.00 0.00 N ATOM 258 CZ ARG A 18 16.702 5.453 4.314 1.00 0.00 C ATOM 259 NH1 ARG A 18 15.749 5.392 5.202 1.00 0.00 N ATOM 260 NH2 ARG A 18 17.788 6.131 4.568 1.00 0.00 N ATOM 0 H ARG A 18 12.176 2.965 3.333 1.00 0.00 H new ATOM 0 HA ARG A 18 11.229 4.314 0.851 1.00 0.00 H new ATOM 0 HB2 ARG A 18 13.717 4.661 0.314 1.00 0.00 H new ATOM 0 HB3 ARG A 18 12.942 5.808 1.388 1.00 0.00 H new ATOM 0 HG2 ARG A 18 13.831 4.610 3.372 1.00 0.00 H new ATOM 0 HG3 ARG A 18 14.520 3.367 2.347 1.00 0.00 H new ATOM 0 HD2 ARG A 18 15.895 5.180 1.184 1.00 0.00 H new ATOM 0 HD3 ARG A 18 15.291 6.330 2.361 1.00 0.00 H new ATOM 0 HE ARG A 18 17.180 4.054 2.940 1.00 0.00 H new ATOM 0 HH11 ARG A 18 14.900 4.863 5.003 1.00 0.00 H new ATOM 0 HH12 ARG A 18 15.853 5.873 6.095 1.00 0.00 H new ATOM 0 HH21 ARG A 18 18.533 6.180 3.873 1.00 0.00 H new ATOM 0 HH22 ARG A 18 17.892 6.612 5.461 1.00 0.00 H new ATOM 274 N CYS A 19 12.068 2.352 -0.456 1.00 0.00 N ATOM 275 CA CYS A 19 12.307 1.031 -1.098 1.00 0.00 C ATOM 276 C CYS A 19 13.689 0.537 -0.698 1.00 0.00 C ATOM 277 O CYS A 19 14.620 1.314 -0.618 1.00 0.00 O ATOM 278 CB CYS A 19 12.225 1.178 -2.614 1.00 0.00 C ATOM 279 SG CYS A 19 12.872 -0.311 -3.418 1.00 0.00 S ATOM 0 H CYS A 19 11.697 3.078 -1.069 1.00 0.00 H new ATOM 0 HA CYS A 19 11.553 0.315 -0.773 1.00 0.00 H new ATOM 0 HB2 CYS A 19 11.191 1.344 -2.916 1.00 0.00 H new ATOM 0 HB3 CYS A 19 12.794 2.051 -2.934 1.00 0.00 H new ATOM 0 HG CYS A 19 12.795 -0.175 -4.709 1.00 0.00 H new ATOM 285 N PRO A 20 13.792 -0.744 -0.464 1.00 0.00 N ATOM 286 CA PRO A 20 12.669 -1.711 -0.555 1.00 0.00 C ATOM 287 C PRO A 20 11.909 -1.833 0.781 1.00 0.00 C ATOM 288 O PRO A 20 11.052 -2.674 0.930 1.00 0.00 O ATOM 289 CB PRO A 20 13.382 -3.034 -0.818 1.00 0.00 C ATOM 290 CG PRO A 20 14.816 -2.870 -0.253 1.00 0.00 C ATOM 291 CD PRO A 20 15.077 -1.364 -0.111 1.00 0.00 C ATOM 0 HA PRO A 20 11.939 -1.416 -1.309 1.00 0.00 H new ATOM 0 HB2 PRO A 20 12.863 -3.860 -0.331 1.00 0.00 H new ATOM 0 HB3 PRO A 20 13.407 -3.258 -1.884 1.00 0.00 H new ATOM 0 HG2 PRO A 20 14.909 -3.369 0.711 1.00 0.00 H new ATOM 0 HG3 PRO A 20 15.547 -3.326 -0.920 1.00 0.00 H new ATOM 0 HD2 PRO A 20 15.379 -1.106 0.904 1.00 0.00 H new ATOM 0 HD3 PRO A 20 15.875 -1.033 -0.775 1.00 0.00 H new ATOM 299 N GLU A 21 12.271 -1.062 1.764 1.00 0.00 N ATOM 300 CA GLU A 21 11.628 -1.182 3.126 1.00 0.00 C ATOM 301 C GLU A 21 10.096 -1.113 3.112 1.00 0.00 C ATOM 302 O GLU A 21 9.449 -1.918 3.750 1.00 0.00 O ATOM 303 CB GLU A 21 12.163 -0.092 4.044 1.00 0.00 C ATOM 304 CG GLU A 21 13.491 -0.542 4.659 1.00 0.00 C ATOM 305 CD GLU A 21 14.418 0.665 4.813 1.00 0.00 C ATOM 306 OE1 GLU A 21 14.242 1.620 4.075 1.00 0.00 O ATOM 307 OE2 GLU A 21 15.289 0.612 5.666 1.00 0.00 O ATOM 0 H GLU A 21 12.991 -0.343 1.694 1.00 0.00 H new ATOM 0 HA GLU A 21 11.890 -2.176 3.489 1.00 0.00 H new ATOM 0 HB2 GLU A 21 12.305 0.832 3.483 1.00 0.00 H new ATOM 0 HB3 GLU A 21 11.440 0.121 4.831 1.00 0.00 H new ATOM 0 HG2 GLU A 21 13.316 -1.005 5.630 1.00 0.00 H new ATOM 0 HG3 GLU A 21 13.960 -1.296 4.026 1.00 0.00 H new ATOM 314 N PRO A 22 9.552 -0.168 2.419 1.00 0.00 N ATOM 315 CA PRO A 22 8.096 -0.003 2.350 1.00 0.00 C ATOM 316 C PRO A 22 7.530 -1.155 1.551 1.00 0.00 C ATOM 317 O PRO A 22 6.817 -1.997 2.057 1.00 0.00 O ATOM 318 CB PRO A 22 7.923 1.341 1.650 1.00 0.00 C ATOM 319 CG PRO A 22 9.244 1.622 0.906 1.00 0.00 C ATOM 320 CD PRO A 22 10.318 0.789 1.619 1.00 0.00 C ATOM 0 HA PRO A 22 7.581 -0.010 3.310 1.00 0.00 H new ATOM 0 HB2 PRO A 22 7.085 1.310 0.954 1.00 0.00 H new ATOM 0 HB3 PRO A 22 7.709 2.129 2.372 1.00 0.00 H new ATOM 0 HG2 PRO A 22 9.167 1.342 -0.145 1.00 0.00 H new ATOM 0 HG3 PRO A 22 9.490 2.683 0.936 1.00 0.00 H new ATOM 0 HD2 PRO A 22 10.969 0.283 0.906 1.00 0.00 H new ATOM 0 HD3 PRO A 22 10.956 1.412 2.246 1.00 0.00 H new ATOM 328 N VAL A 23 7.892 -1.225 0.317 1.00 0.00 N ATOM 329 CA VAL A 23 7.438 -2.360 -0.516 1.00 0.00 C ATOM 330 C VAL A 23 7.663 -3.650 0.276 1.00 0.00 C ATOM 331 O VAL A 23 7.008 -4.649 0.058 1.00 0.00 O ATOM 332 CB VAL A 23 8.287 -2.409 -1.778 1.00 0.00 C ATOM 333 CG1 VAL A 23 7.813 -3.554 -2.674 1.00 0.00 C ATOM 334 CG2 VAL A 23 8.167 -1.082 -2.531 1.00 0.00 C ATOM 0 H VAL A 23 8.485 -0.545 -0.158 1.00 0.00 H new ATOM 0 HA VAL A 23 6.386 -2.248 -0.777 1.00 0.00 H new ATOM 0 HB VAL A 23 9.329 -2.575 -1.504 1.00 0.00 H new ATOM 0 HG11 VAL A 23 8.423 -3.586 -3.577 1.00 0.00 H new ATOM 0 HG12 VAL A 23 7.908 -4.498 -2.138 1.00 0.00 H new ATOM 0 HG13 VAL A 23 6.770 -3.395 -2.947 1.00 0.00 H new ATOM 0 HG21 VAL A 23 8.776 -1.120 -3.434 1.00 0.00 H new ATOM 0 HG22 VAL A 23 7.125 -0.911 -2.803 1.00 0.00 H new ATOM 0 HG23 VAL A 23 8.514 -0.269 -1.893 1.00 0.00 H new ATOM 344 N MET A 24 8.603 -3.636 1.192 1.00 0.00 N ATOM 345 CA MET A 24 8.878 -4.867 1.989 1.00 0.00 C ATOM 346 C MET A 24 7.742 -5.109 2.985 1.00 0.00 C ATOM 347 O MET A 24 7.275 -6.219 3.147 1.00 0.00 O ATOM 348 CB MET A 24 10.193 -4.699 2.753 1.00 0.00 C ATOM 349 CG MET A 24 11.361 -5.126 1.861 1.00 0.00 C ATOM 350 SD MET A 24 12.076 -6.661 2.497 1.00 0.00 S ATOM 351 CE MET A 24 13.562 -6.664 1.465 1.00 0.00 C ATOM 0 H MET A 24 9.186 -2.830 1.419 1.00 0.00 H new ATOM 0 HA MET A 24 8.952 -5.719 1.313 1.00 0.00 H new ATOM 0 HB2 MET A 24 10.317 -3.661 3.060 1.00 0.00 H new ATOM 0 HB3 MET A 24 10.177 -5.301 3.662 1.00 0.00 H new ATOM 0 HG2 MET A 24 11.017 -5.270 0.837 1.00 0.00 H new ATOM 0 HG3 MET A 24 12.118 -4.343 1.836 1.00 0.00 H new ATOM 0 HE1 MET A 24 14.163 -7.543 1.696 1.00 0.00 H new ATOM 0 HE2 MET A 24 13.275 -6.686 0.414 1.00 0.00 H new ATOM 0 HE3 MET A 24 14.144 -5.764 1.663 1.00 0.00 H new ATOM 361 N MET A 25 7.291 -4.084 3.652 1.00 0.00 N ATOM 362 CA MET A 25 6.187 -4.266 4.633 1.00 0.00 C ATOM 363 C MET A 25 4.968 -4.838 3.913 1.00 0.00 C ATOM 364 O MET A 25 4.320 -5.740 4.395 1.00 0.00 O ATOM 365 CB MET A 25 5.827 -2.918 5.255 1.00 0.00 C ATOM 366 CG MET A 25 6.676 -2.691 6.508 1.00 0.00 C ATOM 367 SD MET A 25 8.426 -2.904 6.098 1.00 0.00 S ATOM 368 CE MET A 25 8.844 -4.031 7.449 1.00 0.00 C ATOM 0 H MET A 25 7.639 -3.130 3.560 1.00 0.00 H new ATOM 0 HA MET A 25 6.504 -4.951 5.419 1.00 0.00 H new ATOM 0 HB2 MET A 25 5.999 -2.117 4.536 1.00 0.00 H new ATOM 0 HB3 MET A 25 4.768 -2.895 5.511 1.00 0.00 H new ATOM 0 HG2 MET A 25 6.503 -1.689 6.901 1.00 0.00 H new ATOM 0 HG3 MET A 25 6.386 -3.394 7.289 1.00 0.00 H new ATOM 0 HE1 MET A 25 9.899 -4.297 7.387 1.00 0.00 H new ATOM 0 HE2 MET A 25 8.648 -3.543 8.404 1.00 0.00 H new ATOM 0 HE3 MET A 25 8.237 -4.933 7.371 1.00 0.00 H new ATOM 378 N VAL A 26 4.653 -4.319 2.758 1.00 0.00 N ATOM 379 CA VAL A 26 3.474 -4.842 2.003 1.00 0.00 C ATOM 380 C VAL A 26 3.722 -6.301 1.618 1.00 0.00 C ATOM 381 O VAL A 26 2.803 -7.054 1.423 1.00 0.00 O ATOM 382 CB VAL A 26 3.270 -4.017 0.734 1.00 0.00 C ATOM 383 CG1 VAL A 26 2.168 -4.637 -0.133 1.00 0.00 C ATOM 384 CG2 VAL A 26 2.844 -2.603 1.104 1.00 0.00 C ATOM 0 H VAL A 26 5.158 -3.558 2.304 1.00 0.00 H new ATOM 0 HA VAL A 26 2.586 -4.772 2.631 1.00 0.00 H new ATOM 0 HB VAL A 26 4.210 -4.000 0.182 1.00 0.00 H new ATOM 0 HG11 VAL A 26 2.034 -4.038 -1.034 1.00 0.00 H new ATOM 0 HG12 VAL A 26 2.452 -5.652 -0.411 1.00 0.00 H new ATOM 0 HG13 VAL A 26 1.234 -4.662 0.429 1.00 0.00 H new ATOM 0 HG21 VAL A 26 2.699 -2.017 0.196 1.00 0.00 H new ATOM 0 HG22 VAL A 26 1.910 -2.639 1.665 1.00 0.00 H new ATOM 0 HG23 VAL A 26 3.617 -2.139 1.716 1.00 0.00 H new ATOM 394 N ARG A 27 4.957 -6.699 1.476 1.00 0.00 N ATOM 395 CA ARG A 27 5.242 -8.124 1.086 1.00 0.00 C ATOM 396 C ARG A 27 4.982 -9.064 2.264 1.00 0.00 C ATOM 397 O ARG A 27 4.521 -10.167 2.095 1.00 0.00 O ATOM 398 CB ARG A 27 6.702 -8.291 0.680 1.00 0.00 C ATOM 399 CG ARG A 27 6.883 -7.882 -0.776 1.00 0.00 C ATOM 400 CD ARG A 27 6.396 -9.009 -1.690 1.00 0.00 C ATOM 401 NE ARG A 27 7.214 -10.232 -1.456 1.00 0.00 N ATOM 402 CZ ARG A 27 6.784 -11.393 -1.871 1.00 0.00 C ATOM 403 NH1 ARG A 27 5.829 -12.003 -1.225 1.00 0.00 N ATOM 404 NH2 ARG A 27 7.310 -11.941 -2.931 1.00 0.00 N ATOM 0 H ARG A 27 5.779 -6.111 1.610 1.00 0.00 H new ATOM 0 HA ARG A 27 4.587 -8.368 0.250 1.00 0.00 H new ATOM 0 HB2 ARG A 27 7.339 -7.681 1.320 1.00 0.00 H new ATOM 0 HB3 ARG A 27 7.011 -9.327 0.817 1.00 0.00 H new ATOM 0 HG2 ARG A 27 6.325 -6.968 -0.980 1.00 0.00 H new ATOM 0 HG3 ARG A 27 7.932 -7.666 -0.976 1.00 0.00 H new ATOM 0 HD2 ARG A 27 5.345 -9.220 -1.495 1.00 0.00 H new ATOM 0 HD3 ARG A 27 6.472 -8.703 -2.733 1.00 0.00 H new ATOM 0 HE ARG A 27 8.109 -10.162 -0.972 1.00 0.00 H new ATOM 0 HH11 ARG A 27 5.418 -11.573 -0.396 1.00 0.00 H new ATOM 0 HH12 ARG A 27 5.493 -12.910 -1.549 1.00 0.00 H new ATOM 0 HH21 ARG A 27 8.057 -11.463 -3.435 1.00 0.00 H new ATOM 0 HH22 ARG A 27 6.975 -12.848 -3.256 1.00 0.00 H new ATOM 418 N LYS A 28 5.287 -8.636 3.451 1.00 0.00 N ATOM 419 CA LYS A 28 5.066 -9.506 4.648 1.00 0.00 C ATOM 420 C LYS A 28 3.592 -9.442 5.008 1.00 0.00 C ATOM 421 O LYS A 28 3.005 -10.384 5.502 1.00 0.00 O ATOM 422 CB LYS A 28 5.908 -8.996 5.822 1.00 0.00 C ATOM 423 CG LYS A 28 7.242 -9.746 5.856 1.00 0.00 C ATOM 424 CD LYS A 28 7.137 -10.934 6.813 1.00 0.00 C ATOM 425 CE LYS A 28 7.738 -10.556 8.167 1.00 0.00 C ATOM 426 NZ LYS A 28 7.728 -11.744 9.066 1.00 0.00 N ATOM 0 H LYS A 28 5.682 -7.717 3.652 1.00 0.00 H new ATOM 0 HA LYS A 28 5.359 -10.533 4.430 1.00 0.00 H new ATOM 0 HB2 LYS A 28 6.083 -7.925 5.720 1.00 0.00 H new ATOM 0 HB3 LYS A 28 5.372 -9.143 6.759 1.00 0.00 H new ATOM 0 HG2 LYS A 28 7.501 -10.093 4.856 1.00 0.00 H new ATOM 0 HG3 LYS A 28 8.039 -9.076 6.178 1.00 0.00 H new ATOM 0 HD2 LYS A 28 6.094 -11.224 6.935 1.00 0.00 H new ATOM 0 HD3 LYS A 28 7.661 -11.795 6.399 1.00 0.00 H new ATOM 0 HE2 LYS A 28 8.758 -10.195 8.036 1.00 0.00 H new ATOM 0 HE3 LYS A 28 7.167 -9.743 8.616 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 8.137 -11.486 9.987 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 6.749 -12.069 9.201 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 8.291 -12.507 8.639 1.00 0.00 H new ATOM 440 N THR A 29 2.995 -8.330 4.718 1.00 0.00 N ATOM 441 CA THR A 29 1.549 -8.138 4.969 1.00 0.00 C ATOM 442 C THR A 29 0.811 -8.862 3.855 1.00 0.00 C ATOM 443 O THR A 29 -0.210 -9.487 4.050 1.00 0.00 O ATOM 444 CB THR A 29 1.283 -6.630 4.911 1.00 0.00 C ATOM 445 OG1 THR A 29 1.394 -6.079 6.215 1.00 0.00 O ATOM 446 CG2 THR A 29 -0.098 -6.312 4.326 1.00 0.00 C ATOM 0 H THR A 29 3.463 -7.523 4.305 1.00 0.00 H new ATOM 0 HA THR A 29 1.223 -8.526 5.934 1.00 0.00 H new ATOM 0 HB THR A 29 2.028 -6.184 4.252 1.00 0.00 H new ATOM 0 HG1 THR A 29 1.226 -5.114 6.178 1.00 0.00 H new ATOM 0 HG21 THR A 29 -0.244 -5.232 4.304 1.00 0.00 H new ATOM 0 HG22 THR A 29 -0.164 -6.708 3.313 1.00 0.00 H new ATOM 0 HG23 THR A 29 -0.870 -6.770 4.945 1.00 0.00 H new ATOM 454 N VAL A 30 1.370 -8.800 2.689 1.00 0.00 N ATOM 455 CA VAL A 30 0.776 -9.483 1.519 1.00 0.00 C ATOM 456 C VAL A 30 0.933 -10.981 1.751 1.00 0.00 C ATOM 457 O VAL A 30 0.100 -11.783 1.381 1.00 0.00 O ATOM 458 CB VAL A 30 1.558 -9.058 0.269 1.00 0.00 C ATOM 459 CG1 VAL A 30 1.437 -10.117 -0.813 1.00 0.00 C ATOM 460 CG2 VAL A 30 1.016 -7.735 -0.274 1.00 0.00 C ATOM 0 H VAL A 30 2.233 -8.293 2.493 1.00 0.00 H new ATOM 0 HA VAL A 30 -0.276 -9.230 1.386 1.00 0.00 H new ATOM 0 HB VAL A 30 2.604 -8.937 0.549 1.00 0.00 H new ATOM 0 HG11 VAL A 30 1.996 -9.803 -1.694 1.00 0.00 H new ATOM 0 HG12 VAL A 30 1.840 -11.061 -0.445 1.00 0.00 H new ATOM 0 HG13 VAL A 30 0.388 -10.249 -1.077 1.00 0.00 H new ATOM 0 HG21 VAL A 30 1.581 -7.447 -1.161 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -0.035 -7.853 -0.536 1.00 0.00 H new ATOM 0 HG23 VAL A 30 1.116 -6.961 0.487 1.00 0.00 H new ATOM 470 N ARG A 31 2.006 -11.341 2.387 1.00 0.00 N ATOM 471 CA ARG A 31 2.266 -12.767 2.690 1.00 0.00 C ATOM 472 C ARG A 31 1.353 -13.181 3.840 1.00 0.00 C ATOM 473 O ARG A 31 0.935 -14.317 3.938 1.00 0.00 O ATOM 474 CB ARG A 31 3.723 -12.930 3.119 1.00 0.00 C ATOM 475 CG ARG A 31 4.643 -12.726 1.910 1.00 0.00 C ATOM 476 CD ARG A 31 6.014 -12.239 2.385 1.00 0.00 C ATOM 477 NE ARG A 31 7.026 -13.310 2.159 1.00 0.00 N ATOM 478 CZ ARG A 31 7.479 -14.005 3.167 1.00 0.00 C ATOM 479 NH1 ARG A 31 6.756 -14.138 4.247 1.00 0.00 N ATOM 480 NH2 ARG A 31 8.654 -14.569 3.096 1.00 0.00 N ATOM 0 H ARG A 31 2.725 -10.696 2.715 1.00 0.00 H new ATOM 0 HA ARG A 31 2.076 -13.385 1.813 1.00 0.00 H new ATOM 0 HB2 ARG A 31 3.966 -12.208 3.899 1.00 0.00 H new ATOM 0 HB3 ARG A 31 3.879 -13.922 3.543 1.00 0.00 H new ATOM 0 HG2 ARG A 31 4.749 -13.660 1.359 1.00 0.00 H new ATOM 0 HG3 ARG A 31 4.205 -12.000 1.225 1.00 0.00 H new ATOM 0 HD2 ARG A 31 6.298 -11.335 1.846 1.00 0.00 H new ATOM 0 HD3 ARG A 31 5.973 -11.979 3.443 1.00 0.00 H new ATOM 0 HE ARG A 31 7.365 -13.500 1.216 1.00 0.00 H new ATOM 0 HH11 ARG A 31 5.837 -13.699 4.303 1.00 0.00 H new ATOM 0 HH12 ARG A 31 7.110 -14.681 5.034 1.00 0.00 H new ATOM 0 HH21 ARG A 31 9.219 -14.467 2.253 1.00 0.00 H new ATOM 0 HH22 ARG A 31 9.008 -15.112 3.884 1.00 0.00 H new ATOM 494 N ASN A 32 1.036 -12.258 4.711 1.00 0.00 N ATOM 495 CA ASN A 32 0.144 -12.604 5.855 1.00 0.00 C ATOM 496 C ASN A 32 -1.277 -12.111 5.567 1.00 0.00 C ATOM 497 O ASN A 32 -2.165 -12.234 6.388 1.00 0.00 O ATOM 498 CB ASN A 32 0.670 -11.964 7.145 1.00 0.00 C ATOM 499 CG ASN A 32 0.555 -10.439 7.071 1.00 0.00 C ATOM 500 OD1 ASN A 32 -0.258 -9.909 6.341 1.00 0.00 O ATOM 501 ND2 ASN A 32 1.343 -9.704 7.810 1.00 0.00 N ATOM 0 H ASN A 32 1.353 -11.289 4.680 1.00 0.00 H new ATOM 0 HA ASN A 32 0.129 -13.687 5.982 1.00 0.00 H new ATOM 0 HB2 ASN A 32 0.105 -12.336 8.000 1.00 0.00 H new ATOM 0 HB3 ASN A 32 1.710 -12.249 7.302 1.00 0.00 H new ATOM 0 HD21 ASN A 32 1.275 -8.687 7.773 1.00 0.00 H new ATOM 0 HD22 ASN A 32 2.026 -10.147 8.424 1.00 0.00 H new ATOM 508 N MET A 33 -1.507 -11.564 4.401 1.00 0.00 N ATOM 509 CA MET A 33 -2.876 -11.080 4.064 1.00 0.00 C ATOM 510 C MET A 33 -3.684 -12.198 3.407 1.00 0.00 C ATOM 511 O MET A 33 -3.203 -13.291 3.186 1.00 0.00 O ATOM 512 CB MET A 33 -2.805 -9.895 3.093 1.00 0.00 C ATOM 513 CG MET A 33 -2.815 -8.577 3.873 1.00 0.00 C ATOM 514 SD MET A 33 -3.641 -7.303 2.886 1.00 0.00 S ATOM 515 CE MET A 33 -5.307 -8.013 2.939 1.00 0.00 C ATOM 0 H MET A 33 -0.807 -11.433 3.671 1.00 0.00 H new ATOM 0 HA MET A 33 -3.358 -10.766 4.990 1.00 0.00 H new ATOM 0 HB2 MET A 33 -1.900 -9.963 2.489 1.00 0.00 H new ATOM 0 HB3 MET A 33 -3.650 -9.927 2.405 1.00 0.00 H new ATOM 0 HG2 MET A 33 -3.331 -8.708 4.824 1.00 0.00 H new ATOM 0 HG3 MET A 33 -1.795 -8.270 4.104 1.00 0.00 H new ATOM 0 HE1 MET A 33 -5.992 -7.375 2.381 1.00 0.00 H new ATOM 0 HE2 MET A 33 -5.293 -9.008 2.493 1.00 0.00 H new ATOM 0 HE3 MET A 33 -5.639 -8.084 3.975 1.00 0.00 H new ATOM 525 N GLN A 34 -4.912 -11.911 3.088 1.00 0.00 N ATOM 526 CA GLN A 34 -5.788 -12.917 2.433 1.00 0.00 C ATOM 527 C GLN A 34 -6.479 -12.242 1.249 1.00 0.00 C ATOM 528 O GLN A 34 -6.661 -11.041 1.252 1.00 0.00 O ATOM 529 CB GLN A 34 -6.837 -13.418 3.427 1.00 0.00 C ATOM 530 CG GLN A 34 -6.140 -14.135 4.585 1.00 0.00 C ATOM 531 CD GLN A 34 -7.111 -15.126 5.230 1.00 0.00 C ATOM 532 OE1 GLN A 34 -7.543 -16.070 4.596 1.00 0.00 O ATOM 533 NE2 GLN A 34 -7.473 -14.953 6.470 1.00 0.00 N ATOM 0 H GLN A 34 -5.353 -11.007 3.256 1.00 0.00 H new ATOM 0 HA GLN A 34 -5.198 -13.768 2.093 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -7.425 -12.581 3.804 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -7.530 -14.096 2.930 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -5.256 -14.659 4.223 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -5.800 -13.410 5.324 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -7.111 -14.161 7.001 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -8.119 -15.609 6.909 1.00 0.00 H new ATOM 542 N PRO A 35 -6.834 -13.022 0.267 1.00 0.00 N ATOM 543 CA PRO A 35 -7.495 -12.500 -0.936 1.00 0.00 C ATOM 544 C PRO A 35 -8.917 -12.057 -0.603 1.00 0.00 C ATOM 545 O PRO A 35 -9.707 -12.803 -0.058 1.00 0.00 O ATOM 546 CB PRO A 35 -7.467 -13.677 -1.911 1.00 0.00 C ATOM 547 CG PRO A 35 -7.287 -14.948 -1.048 1.00 0.00 C ATOM 548 CD PRO A 35 -6.639 -14.485 0.272 1.00 0.00 C ATOM 0 HA PRO A 35 -7.007 -11.621 -1.357 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -8.390 -13.726 -2.489 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -6.650 -13.572 -2.625 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -8.246 -15.431 -0.862 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -6.656 -15.677 -1.556 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -7.115 -14.949 1.136 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -5.582 -14.747 0.312 1.00 0.00 H new ATOM 556 N GLY A 36 -9.230 -10.829 -0.899 1.00 0.00 N ATOM 557 CA GLY A 36 -10.577 -10.297 -0.577 1.00 0.00 C ATOM 558 C GLY A 36 -10.437 -9.416 0.660 1.00 0.00 C ATOM 559 O GLY A 36 -11.388 -9.165 1.373 1.00 0.00 O ATOM 0 H GLY A 36 -8.603 -10.166 -1.355 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -10.973 -9.722 -1.414 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -11.277 -11.112 -0.391 1.00 0.00 H new ATOM 563 N GLU A 37 -9.240 -8.955 0.926 1.00 0.00 N ATOM 564 CA GLU A 37 -9.016 -8.106 2.122 1.00 0.00 C ATOM 565 C GLU A 37 -8.489 -6.735 1.684 1.00 0.00 C ATOM 566 O GLU A 37 -8.403 -6.445 0.507 1.00 0.00 O ATOM 567 CB GLU A 37 -7.993 -8.791 3.022 1.00 0.00 C ATOM 568 CG GLU A 37 -8.693 -9.850 3.879 1.00 0.00 C ATOM 569 CD GLU A 37 -9.781 -9.191 4.729 1.00 0.00 C ATOM 570 OE1 GLU A 37 -10.888 -9.051 4.234 1.00 0.00 O ATOM 571 OE2 GLU A 37 -9.491 -8.839 5.860 1.00 0.00 O ATOM 0 H GLU A 37 -8.410 -9.134 0.361 1.00 0.00 H new ATOM 0 HA GLU A 37 -9.951 -7.969 2.665 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -7.214 -9.255 2.417 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -7.505 -8.055 3.661 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -9.132 -10.616 3.240 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -7.968 -10.348 4.522 1.00 0.00 H new ATOM 578 N THR A 38 -8.143 -5.885 2.615 1.00 0.00 N ATOM 579 CA THR A 38 -7.634 -4.539 2.227 1.00 0.00 C ATOM 580 C THR A 38 -6.457 -4.134 3.112 1.00 0.00 C ATOM 581 O THR A 38 -6.305 -4.598 4.225 1.00 0.00 O ATOM 582 CB THR A 38 -8.757 -3.510 2.366 1.00 0.00 C ATOM 583 OG1 THR A 38 -9.605 -3.877 3.444 1.00 0.00 O ATOM 584 CG2 THR A 38 -9.562 -3.465 1.068 1.00 0.00 C ATOM 0 H THR A 38 -8.190 -6.063 3.618 1.00 0.00 H new ATOM 0 HA THR A 38 -7.295 -4.578 1.192 1.00 0.00 H new ATOM 0 HB THR A 38 -8.332 -2.526 2.564 1.00 0.00 H new ATOM 0 HG1 THR A 38 -10.324 -3.217 3.534 1.00 0.00 H new ATOM 0 HG21 THR A 38 -10.364 -2.733 1.162 1.00 0.00 H new ATOM 0 HG22 THR A 38 -8.907 -3.182 0.244 1.00 0.00 H new ATOM 0 HG23 THR A 38 -9.990 -4.448 0.871 1.00 0.00 H new ATOM 592 N LEU A 39 -5.619 -3.269 2.611 1.00 0.00 N ATOM 593 CA LEU A 39 -4.433 -2.814 3.388 1.00 0.00 C ATOM 594 C LEU A 39 -4.170 -1.335 3.076 1.00 0.00 C ATOM 595 O LEU A 39 -3.865 -0.977 1.957 1.00 0.00 O ATOM 596 CB LEU A 39 -3.219 -3.643 2.961 1.00 0.00 C ATOM 597 CG LEU A 39 -1.935 -3.022 3.521 1.00 0.00 C ATOM 598 CD1 LEU A 39 -1.634 -3.623 4.889 1.00 0.00 C ATOM 599 CD2 LEU A 39 -0.773 -3.316 2.569 1.00 0.00 C ATOM 0 H LEU A 39 -5.707 -2.853 1.684 1.00 0.00 H new ATOM 0 HA LEU A 39 -4.612 -2.938 4.456 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -3.324 -4.667 3.320 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -3.165 -3.690 1.873 1.00 0.00 H new ATOM 0 HG LEU A 39 -2.064 -1.944 3.619 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -0.721 -3.181 5.287 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -2.462 -3.417 5.567 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -1.504 -4.701 4.792 1.00 0.00 H new ATOM 0 HD21 LEU A 39 0.142 -2.875 2.965 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -0.645 -4.394 2.474 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -0.988 -2.888 1.590 1.00 0.00 H new ATOM 611 N LEU A 40 -4.256 -0.477 4.054 1.00 0.00 N ATOM 612 CA LEU A 40 -3.983 0.963 3.801 1.00 0.00 C ATOM 613 C LEU A 40 -2.482 1.182 3.966 1.00 0.00 C ATOM 614 O LEU A 40 -1.846 0.550 4.784 1.00 0.00 O ATOM 615 CB LEU A 40 -4.750 1.820 4.811 1.00 0.00 C ATOM 616 CG LEU A 40 -4.192 3.244 4.806 1.00 0.00 C ATOM 617 CD1 LEU A 40 -4.466 3.897 3.451 1.00 0.00 C ATOM 618 CD2 LEU A 40 -4.869 4.059 5.910 1.00 0.00 C ATOM 0 H LEU A 40 -4.503 -0.711 5.016 1.00 0.00 H new ATOM 0 HA LEU A 40 -4.303 1.246 2.798 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -5.811 1.834 4.560 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -4.664 1.389 5.808 1.00 0.00 H new ATOM 0 HG LEU A 40 -3.117 3.213 4.982 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -4.068 4.912 3.449 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -3.985 3.317 2.664 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -5.541 3.929 3.273 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -4.472 5.074 5.908 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -5.944 4.089 5.733 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -4.673 3.595 6.877 1.00 0.00 H new ATOM 630 N ILE A 41 -1.896 2.035 3.177 1.00 0.00 N ATOM 631 CA ILE A 41 -0.426 2.232 3.286 1.00 0.00 C ATOM 632 C ILE A 41 -0.058 3.708 3.154 1.00 0.00 C ATOM 633 O ILE A 41 -0.391 4.348 2.182 1.00 0.00 O ATOM 634 CB ILE A 41 0.239 1.456 2.153 1.00 0.00 C ATOM 635 CG1 ILE A 41 -0.463 0.097 2.006 1.00 0.00 C ATOM 636 CG2 ILE A 41 1.727 1.272 2.466 1.00 0.00 C ATOM 637 CD1 ILE A 41 0.443 -0.894 1.276 1.00 0.00 C ATOM 0 H ILE A 41 -2.365 2.599 2.468 1.00 0.00 H new ATOM 0 HA ILE A 41 -0.089 1.880 4.261 1.00 0.00 H new ATOM 0 HB ILE A 41 0.152 2.003 1.214 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -0.722 -0.294 2.990 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -1.396 0.220 1.456 1.00 0.00 H new ATOM 0 HG21 ILE A 41 2.203 0.718 1.657 1.00 0.00 H new ATOM 0 HG22 ILE A 41 2.201 2.248 2.565 1.00 0.00 H new ATOM 0 HG23 ILE A 41 1.837 0.719 3.399 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -0.068 -1.852 1.180 1.00 0.00 H new ATOM 0 HD12 ILE A 41 0.680 -0.508 0.285 1.00 0.00 H new ATOM 0 HD13 ILE A 41 1.364 -1.030 1.842 1.00 0.00 H new ATOM 649 N ILE A 42 0.669 4.249 4.096 1.00 0.00 N ATOM 650 CA ILE A 42 1.080 5.658 3.966 1.00 0.00 C ATOM 651 C ILE A 42 2.517 5.657 3.502 1.00 0.00 C ATOM 652 O ILE A 42 3.215 4.675 3.627 1.00 0.00 O ATOM 653 CB ILE A 42 0.981 6.367 5.305 1.00 0.00 C ATOM 654 CG1 ILE A 42 -0.317 5.949 5.991 1.00 0.00 C ATOM 655 CG2 ILE A 42 0.989 7.886 5.079 1.00 0.00 C ATOM 656 CD1 ILE A 42 -0.730 7.033 6.974 1.00 0.00 C ATOM 0 H ILE A 42 0.989 3.773 4.939 1.00 0.00 H new ATOM 0 HA ILE A 42 0.433 6.180 3.260 1.00 0.00 H new ATOM 0 HB ILE A 42 1.829 6.097 5.935 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -1.101 5.794 5.250 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -0.179 5.001 6.512 1.00 0.00 H new ATOM 0 HG21 ILE A 42 0.918 8.397 6.039 1.00 0.00 H new ATOM 0 HG22 ILE A 42 1.915 8.175 4.582 1.00 0.00 H new ATOM 0 HG23 ILE A 42 0.140 8.166 4.455 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -1.657 6.742 7.468 1.00 0.00 H new ATOM 0 HD12 ILE A 42 0.053 7.165 7.720 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -0.883 7.970 6.439 1.00 0.00 H new ATOM 668 N ALA A 43 2.968 6.732 2.966 1.00 0.00 N ATOM 669 CA ALA A 43 4.366 6.767 2.495 1.00 0.00 C ATOM 670 C ALA A 43 4.790 8.208 2.315 1.00 0.00 C ATOM 671 O ALA A 43 4.162 8.963 1.611 1.00 0.00 O ATOM 672 CB ALA A 43 4.475 6.031 1.160 1.00 0.00 C ATOM 0 H ALA A 43 2.435 7.591 2.831 1.00 0.00 H new ATOM 0 HA ALA A 43 5.013 6.282 3.226 1.00 0.00 H new ATOM 0 HB1 ALA A 43 5.508 6.058 0.813 1.00 0.00 H new ATOM 0 HB2 ALA A 43 4.162 4.995 1.289 1.00 0.00 H new ATOM 0 HB3 ALA A 43 3.833 6.515 0.424 1.00 0.00 H new ATOM 678 N ASP A 44 5.875 8.589 2.897 1.00 0.00 N ATOM 679 CA ASP A 44 6.346 9.970 2.694 1.00 0.00 C ATOM 680 C ASP A 44 7.472 9.862 1.703 1.00 0.00 C ATOM 681 O ASP A 44 7.738 10.758 0.927 1.00 0.00 O ATOM 682 CB ASP A 44 6.794 10.615 4.020 1.00 0.00 C ATOM 683 CG ASP A 44 8.286 10.398 4.326 1.00 0.00 C ATOM 684 OD1 ASP A 44 9.095 10.450 3.416 1.00 0.00 O ATOM 685 OD2 ASP A 44 8.598 10.220 5.491 1.00 0.00 O ATOM 0 H ASP A 44 6.455 8.008 3.502 1.00 0.00 H new ATOM 0 HA ASP A 44 5.554 10.620 2.321 1.00 0.00 H new ATOM 0 HB2 ASP A 44 6.589 11.685 3.983 1.00 0.00 H new ATOM 0 HB3 ASP A 44 6.199 10.204 4.836 1.00 0.00 H new ATOM 690 N ASP A 45 8.117 8.730 1.701 1.00 0.00 N ATOM 691 CA ASP A 45 9.205 8.524 0.726 1.00 0.00 C ATOM 692 C ASP A 45 8.608 8.646 -0.683 1.00 0.00 C ATOM 693 O ASP A 45 7.489 8.233 -0.912 1.00 0.00 O ATOM 694 CB ASP A 45 9.773 7.144 0.968 1.00 0.00 C ATOM 695 CG ASP A 45 10.481 6.613 -0.279 1.00 0.00 C ATOM 696 OD1 ASP A 45 11.645 6.931 -0.457 1.00 0.00 O ATOM 697 OD2 ASP A 45 9.851 5.888 -1.029 1.00 0.00 O ATOM 0 H ASP A 45 7.935 7.948 2.330 1.00 0.00 H new ATOM 0 HA ASP A 45 10.002 9.261 0.829 1.00 0.00 H new ATOM 0 HB2 ASP A 45 10.474 7.177 1.802 1.00 0.00 H new ATOM 0 HB3 ASP A 45 8.972 6.462 1.253 1.00 0.00 H new ATOM 702 N PRO A 46 9.353 9.234 -1.580 1.00 0.00 N ATOM 703 CA PRO A 46 8.902 9.451 -2.967 1.00 0.00 C ATOM 704 C PRO A 46 9.015 8.157 -3.768 1.00 0.00 C ATOM 705 O PRO A 46 8.398 7.990 -4.800 1.00 0.00 O ATOM 706 CB PRO A 46 9.875 10.506 -3.497 1.00 0.00 C ATOM 707 CG PRO A 46 11.141 10.419 -2.609 1.00 0.00 C ATOM 708 CD PRO A 46 10.715 9.724 -1.302 1.00 0.00 C ATOM 0 HA PRO A 46 7.860 9.764 -3.038 1.00 0.00 H new ATOM 0 HB2 PRO A 46 10.120 10.318 -4.542 1.00 0.00 H new ATOM 0 HB3 PRO A 46 9.433 11.501 -3.447 1.00 0.00 H new ATOM 0 HG2 PRO A 46 11.927 9.854 -3.110 1.00 0.00 H new ATOM 0 HG3 PRO A 46 11.541 11.412 -2.407 1.00 0.00 H new ATOM 0 HD2 PRO A 46 11.389 8.905 -1.048 1.00 0.00 H new ATOM 0 HD3 PRO A 46 10.725 10.417 -0.461 1.00 0.00 H new ATOM 716 N ALA A 47 9.807 7.247 -3.291 1.00 0.00 N ATOM 717 CA ALA A 47 9.986 5.953 -4.011 1.00 0.00 C ATOM 718 C ALA A 47 8.928 4.949 -3.550 1.00 0.00 C ATOM 719 O ALA A 47 8.859 3.841 -4.043 1.00 0.00 O ATOM 720 CB ALA A 47 11.380 5.396 -3.721 1.00 0.00 C ATOM 0 H ALA A 47 10.344 7.339 -2.429 1.00 0.00 H new ATOM 0 HA ALA A 47 9.876 6.121 -5.082 1.00 0.00 H new ATOM 0 HB1 ALA A 47 11.511 4.450 -4.247 1.00 0.00 H new ATOM 0 HB2 ALA A 47 12.134 6.107 -4.060 1.00 0.00 H new ATOM 0 HB3 ALA A 47 11.491 5.233 -2.649 1.00 0.00 H new ATOM 726 N THR A 48 8.106 5.318 -2.609 1.00 0.00 N ATOM 727 CA THR A 48 7.060 4.372 -2.130 1.00 0.00 C ATOM 728 C THR A 48 5.809 4.529 -2.990 1.00 0.00 C ATOM 729 O THR A 48 5.159 3.564 -3.342 1.00 0.00 O ATOM 730 CB THR A 48 6.712 4.683 -0.672 1.00 0.00 C ATOM 731 OG1 THR A 48 6.694 6.091 -0.481 1.00 0.00 O ATOM 732 CG2 THR A 48 7.755 4.050 0.244 1.00 0.00 C ATOM 0 H THR A 48 8.112 6.230 -2.152 1.00 0.00 H new ATOM 0 HA THR A 48 7.434 3.351 -2.203 1.00 0.00 H new ATOM 0 HB THR A 48 5.730 4.275 -0.434 1.00 0.00 H new ATOM 0 HG1 THR A 48 7.613 6.431 -0.467 1.00 0.00 H new ATOM 0 HG21 THR A 48 7.509 4.270 1.283 1.00 0.00 H new ATOM 0 HG22 THR A 48 7.763 2.970 0.094 1.00 0.00 H new ATOM 0 HG23 THR A 48 8.739 4.456 0.010 1.00 0.00 H new ATOM 740 N THR A 49 5.467 5.738 -3.337 1.00 0.00 N ATOM 741 CA THR A 49 4.258 5.945 -4.182 1.00 0.00 C ATOM 742 C THR A 49 4.419 5.140 -5.460 1.00 0.00 C ATOM 743 O THR A 49 3.461 4.684 -6.050 1.00 0.00 O ATOM 744 CB THR A 49 4.108 7.424 -4.562 1.00 0.00 C ATOM 745 OG1 THR A 49 4.785 7.662 -5.789 1.00 0.00 O ATOM 746 CG2 THR A 49 4.710 8.312 -3.480 1.00 0.00 C ATOM 0 H THR A 49 5.968 6.587 -3.074 1.00 0.00 H new ATOM 0 HA THR A 49 3.378 5.628 -3.622 1.00 0.00 H new ATOM 0 HB THR A 49 3.048 7.658 -4.665 1.00 0.00 H new ATOM 0 HG1 THR A 49 4.691 8.605 -6.037 1.00 0.00 H new ATOM 0 HG21 THR A 49 4.596 9.358 -3.763 1.00 0.00 H new ATOM 0 HG22 THR A 49 4.196 8.134 -2.535 1.00 0.00 H new ATOM 0 HG23 THR A 49 5.769 8.080 -3.366 1.00 0.00 H new ATOM 754 N ARG A 50 5.629 4.995 -5.914 1.00 0.00 N ATOM 755 CA ARG A 50 5.857 4.247 -7.185 1.00 0.00 C ATOM 756 C ARG A 50 6.247 2.786 -6.930 1.00 0.00 C ATOM 757 O ARG A 50 5.880 1.901 -7.678 1.00 0.00 O ATOM 758 CB ARG A 50 6.981 4.926 -7.963 1.00 0.00 C ATOM 759 CG ARG A 50 6.467 6.235 -8.567 1.00 0.00 C ATOM 760 CD ARG A 50 6.925 6.341 -10.022 1.00 0.00 C ATOM 761 NE ARG A 50 6.181 7.442 -10.696 1.00 0.00 N ATOM 762 CZ ARG A 50 5.063 7.187 -11.320 1.00 0.00 C ATOM 763 NH1 ARG A 50 4.460 6.045 -11.138 1.00 0.00 N ATOM 764 NH2 ARG A 50 4.547 8.076 -12.124 1.00 0.00 N ATOM 0 H ARG A 50 6.469 5.359 -5.465 1.00 0.00 H new ATOM 0 HA ARG A 50 4.925 4.254 -7.750 1.00 0.00 H new ATOM 0 HB2 ARG A 50 7.826 5.125 -7.303 1.00 0.00 H new ATOM 0 HB3 ARG A 50 7.341 4.266 -8.752 1.00 0.00 H new ATOM 0 HG2 ARG A 50 5.379 6.270 -8.514 1.00 0.00 H new ATOM 0 HG3 ARG A 50 6.841 7.084 -7.994 1.00 0.00 H new ATOM 0 HD2 ARG A 50 7.997 6.533 -10.064 1.00 0.00 H new ATOM 0 HD3 ARG A 50 6.749 5.398 -10.540 1.00 0.00 H new ATOM 0 HE ARG A 50 6.545 8.394 -10.670 1.00 0.00 H new ATOM 0 HH11 ARG A 50 4.862 5.351 -10.508 1.00 0.00 H new ATOM 0 HH12 ARG A 50 3.586 5.846 -11.626 1.00 0.00 H new ATOM 0 HH21 ARG A 50 5.017 8.970 -12.265 1.00 0.00 H new ATOM 0 HH22 ARG A 50 3.674 7.877 -12.612 1.00 0.00 H new ATOM 778 N ASP A 51 7.030 2.529 -5.925 1.00 0.00 N ATOM 779 CA ASP A 51 7.493 1.129 -5.678 1.00 0.00 C ATOM 780 C ASP A 51 6.499 0.315 -4.841 1.00 0.00 C ATOM 781 O ASP A 51 6.221 -0.826 -5.148 1.00 0.00 O ATOM 782 CB ASP A 51 8.833 1.177 -4.943 1.00 0.00 C ATOM 783 CG ASP A 51 9.868 1.890 -5.816 1.00 0.00 C ATOM 784 OD1 ASP A 51 9.547 2.195 -6.952 1.00 0.00 O ATOM 785 OD2 ASP A 51 10.964 2.119 -5.331 1.00 0.00 O ATOM 0 H ASP A 51 7.372 3.223 -5.261 1.00 0.00 H new ATOM 0 HA ASP A 51 7.585 0.638 -6.647 1.00 0.00 H new ATOM 0 HB2 ASP A 51 8.720 1.700 -3.993 1.00 0.00 H new ATOM 0 HB3 ASP A 51 9.170 0.166 -4.713 1.00 0.00 H new ATOM 790 N ILE A 52 5.989 0.859 -3.776 1.00 0.00 N ATOM 791 CA ILE A 52 5.050 0.065 -2.928 1.00 0.00 C ATOM 792 C ILE A 52 3.901 -0.494 -3.764 1.00 0.00 C ATOM 793 O ILE A 52 3.603 -1.669 -3.678 1.00 0.00 O ATOM 794 CB ILE A 52 4.526 0.936 -1.776 1.00 0.00 C ATOM 795 CG1 ILE A 52 5.450 0.763 -0.571 1.00 0.00 C ATOM 796 CG2 ILE A 52 3.096 0.530 -1.389 1.00 0.00 C ATOM 797 CD1 ILE A 52 4.781 1.338 0.679 1.00 0.00 C ATOM 0 H ILE A 52 6.176 1.809 -3.454 1.00 0.00 H new ATOM 0 HA ILE A 52 5.588 -0.783 -2.505 1.00 0.00 H new ATOM 0 HB ILE A 52 4.510 1.978 -2.096 1.00 0.00 H new ATOM 0 HG12 ILE A 52 5.675 -0.293 -0.422 1.00 0.00 H new ATOM 0 HG13 ILE A 52 6.399 1.268 -0.753 1.00 0.00 H new ATOM 0 HG21 ILE A 52 2.747 1.161 -0.571 1.00 0.00 H new ATOM 0 HG22 ILE A 52 2.437 0.653 -2.249 1.00 0.00 H new ATOM 0 HG23 ILE A 52 3.087 -0.513 -1.072 1.00 0.00 H new ATOM 0 HD11 ILE A 52 5.443 1.213 1.536 1.00 0.00 H new ATOM 0 HD12 ILE A 52 4.579 2.398 0.528 1.00 0.00 H new ATOM 0 HD13 ILE A 52 3.844 0.813 0.864 1.00 0.00 H new ATOM 809 N PRO A 53 3.288 0.340 -4.546 1.00 0.00 N ATOM 810 CA PRO A 53 2.176 -0.093 -5.390 1.00 0.00 C ATOM 811 C PRO A 53 2.702 -0.920 -6.542 1.00 0.00 C ATOM 812 O PRO A 53 2.236 -2.005 -6.790 1.00 0.00 O ATOM 813 CB PRO A 53 1.549 1.202 -5.868 1.00 0.00 C ATOM 814 CG PRO A 53 2.621 2.300 -5.705 1.00 0.00 C ATOM 815 CD PRO A 53 3.641 1.767 -4.682 1.00 0.00 C ATOM 0 HA PRO A 53 1.453 -0.721 -4.870 1.00 0.00 H new ATOM 0 HB2 PRO A 53 1.235 1.119 -6.908 1.00 0.00 H new ATOM 0 HB3 PRO A 53 0.660 1.440 -5.285 1.00 0.00 H new ATOM 0 HG2 PRO A 53 3.104 2.515 -6.658 1.00 0.00 H new ATOM 0 HG3 PRO A 53 2.173 3.231 -5.357 1.00 0.00 H new ATOM 0 HD2 PRO A 53 4.665 1.894 -5.034 1.00 0.00 H new ATOM 0 HD3 PRO A 53 3.564 2.291 -3.729 1.00 0.00 H new ATOM 823 N GLY A 54 3.685 -0.436 -7.237 1.00 0.00 N ATOM 824 CA GLY A 54 4.235 -1.242 -8.354 1.00 0.00 C ATOM 825 C GLY A 54 4.481 -2.652 -7.836 1.00 0.00 C ATOM 826 O GLY A 54 4.453 -3.612 -8.579 1.00 0.00 O ATOM 0 H GLY A 54 4.127 0.470 -7.084 1.00 0.00 H new ATOM 0 HA2 GLY A 54 3.538 -1.259 -9.192 1.00 0.00 H new ATOM 0 HA3 GLY A 54 5.163 -0.803 -8.721 1.00 0.00 H new ATOM 830 N PHE A 55 4.694 -2.791 -6.555 1.00 0.00 N ATOM 831 CA PHE A 55 4.906 -4.148 -5.995 1.00 0.00 C ATOM 832 C PHE A 55 3.547 -4.848 -5.872 1.00 0.00 C ATOM 833 O PHE A 55 3.371 -5.955 -6.341 1.00 0.00 O ATOM 834 CB PHE A 55 5.586 -4.033 -4.620 1.00 0.00 C ATOM 835 CG PHE A 55 5.141 -5.165 -3.721 1.00 0.00 C ATOM 836 CD1 PHE A 55 5.046 -6.472 -4.216 1.00 0.00 C ATOM 837 CD2 PHE A 55 4.798 -4.896 -2.398 1.00 0.00 C ATOM 838 CE1 PHE A 55 4.607 -7.503 -3.384 1.00 0.00 C ATOM 839 CE2 PHE A 55 4.365 -5.930 -1.571 1.00 0.00 C ATOM 840 CZ PHE A 55 4.268 -7.232 -2.061 1.00 0.00 C ATOM 0 H PHE A 55 4.729 -2.027 -5.880 1.00 0.00 H new ATOM 0 HA PHE A 55 5.551 -4.734 -6.650 1.00 0.00 H new ATOM 0 HB2 PHE A 55 6.669 -4.057 -4.739 1.00 0.00 H new ATOM 0 HB3 PHE A 55 5.337 -3.076 -4.162 1.00 0.00 H new ATOM 0 HD1 PHE A 55 5.312 -6.682 -5.241 1.00 0.00 H new ATOM 0 HD2 PHE A 55 4.868 -3.889 -2.015 1.00 0.00 H new ATOM 0 HE1 PHE A 55 4.530 -8.510 -3.766 1.00 0.00 H new ATOM 0 HE2 PHE A 55 4.103 -5.722 -0.544 1.00 0.00 H new ATOM 0 HZ PHE A 55 3.930 -8.029 -1.415 1.00 0.00 H new ATOM 850 N CYS A 56 2.590 -4.228 -5.237 1.00 0.00 N ATOM 851 CA CYS A 56 1.268 -4.890 -5.094 1.00 0.00 C ATOM 852 C CYS A 56 0.775 -5.351 -6.460 1.00 0.00 C ATOM 853 O CYS A 56 0.190 -6.400 -6.590 1.00 0.00 O ATOM 854 CB CYS A 56 0.276 -3.903 -4.493 1.00 0.00 C ATOM 855 SG CYS A 56 0.567 -3.787 -2.710 1.00 0.00 S ATOM 0 H CYS A 56 2.667 -3.302 -4.816 1.00 0.00 H new ATOM 0 HA CYS A 56 1.361 -5.756 -4.439 1.00 0.00 H new ATOM 0 HB2 CYS A 56 0.391 -2.924 -4.958 1.00 0.00 H new ATOM 0 HB3 CYS A 56 -0.745 -4.230 -4.687 1.00 0.00 H new ATOM 0 HG CYS A 56 -0.264 -4.565 -2.083 1.00 0.00 H new ATOM 861 N THR A 57 1.008 -4.582 -7.480 1.00 0.00 N ATOM 862 CA THR A 57 0.543 -4.997 -8.834 1.00 0.00 C ATOM 863 C THR A 57 1.291 -6.259 -9.268 1.00 0.00 C ATOM 864 O THR A 57 0.752 -7.113 -9.942 1.00 0.00 O ATOM 865 CB THR A 57 0.816 -3.874 -9.834 1.00 0.00 C ATOM 866 OG1 THR A 57 0.137 -2.697 -9.421 1.00 0.00 O ATOM 867 CG2 THR A 57 0.319 -4.296 -11.217 1.00 0.00 C ATOM 0 H THR A 57 1.497 -3.688 -7.440 1.00 0.00 H new ATOM 0 HA THR A 57 -0.527 -5.203 -8.802 1.00 0.00 H new ATOM 0 HB THR A 57 1.887 -3.675 -9.878 1.00 0.00 H new ATOM 0 HG1 THR A 57 0.313 -1.976 -10.061 1.00 0.00 H new ATOM 0 HG21 THR A 57 0.512 -3.497 -11.933 1.00 0.00 H new ATOM 0 HG22 THR A 57 0.842 -5.199 -11.532 1.00 0.00 H new ATOM 0 HG23 THR A 57 -0.752 -4.493 -11.174 1.00 0.00 H new ATOM 875 N PHE A 58 2.533 -6.374 -8.893 1.00 0.00 N ATOM 876 CA PHE A 58 3.330 -7.570 -9.286 1.00 0.00 C ATOM 877 C PHE A 58 2.816 -8.823 -8.564 1.00 0.00 C ATOM 878 O PHE A 58 2.918 -9.921 -9.072 1.00 0.00 O ATOM 879 CB PHE A 58 4.797 -7.339 -8.917 1.00 0.00 C ATOM 880 CG PHE A 58 5.686 -8.121 -9.853 1.00 0.00 C ATOM 881 CD1 PHE A 58 5.668 -9.520 -9.828 1.00 0.00 C ATOM 882 CD2 PHE A 58 6.531 -7.447 -10.744 1.00 0.00 C ATOM 883 CE1 PHE A 58 6.494 -10.247 -10.694 1.00 0.00 C ATOM 884 CE2 PHE A 58 7.356 -8.174 -11.609 1.00 0.00 C ATOM 885 CZ PHE A 58 7.339 -9.573 -11.584 1.00 0.00 C ATOM 0 H PHE A 58 3.034 -5.688 -8.328 1.00 0.00 H new ATOM 0 HA PHE A 58 3.232 -7.721 -10.361 1.00 0.00 H new ATOM 0 HB2 PHE A 58 5.034 -6.277 -8.977 1.00 0.00 H new ATOM 0 HB3 PHE A 58 4.976 -7.648 -7.887 1.00 0.00 H new ATOM 0 HD1 PHE A 58 5.017 -10.039 -9.140 1.00 0.00 H new ATOM 0 HD2 PHE A 58 6.546 -6.367 -10.763 1.00 0.00 H new ATOM 0 HE1 PHE A 58 6.479 -11.327 -10.675 1.00 0.00 H new ATOM 0 HE2 PHE A 58 8.007 -7.655 -12.297 1.00 0.00 H new ATOM 0 HZ PHE A 58 7.978 -10.133 -12.251 1.00 0.00 H new ATOM 895 N MET A 59 2.280 -8.681 -7.380 1.00 0.00 N ATOM 896 CA MET A 59 1.788 -9.884 -6.642 1.00 0.00 C ATOM 897 C MET A 59 0.320 -10.183 -6.972 1.00 0.00 C ATOM 898 O MET A 59 -0.272 -11.080 -6.408 1.00 0.00 O ATOM 899 CB MET A 59 1.946 -9.671 -5.147 1.00 0.00 C ATOM 900 CG MET A 59 3.302 -10.213 -4.698 1.00 0.00 C ATOM 901 SD MET A 59 3.363 -11.999 -4.986 1.00 0.00 S ATOM 902 CE MET A 59 5.151 -12.129 -5.222 1.00 0.00 C ATOM 0 H MET A 59 2.162 -7.792 -6.894 1.00 0.00 H new ATOM 0 HA MET A 59 2.385 -10.740 -6.957 1.00 0.00 H new ATOM 0 HB2 MET A 59 1.869 -8.610 -4.910 1.00 0.00 H new ATOM 0 HB3 MET A 59 1.144 -10.177 -4.610 1.00 0.00 H new ATOM 0 HG2 MET A 59 4.103 -9.718 -5.246 1.00 0.00 H new ATOM 0 HG3 MET A 59 3.459 -9.999 -3.641 1.00 0.00 H new ATOM 0 HE1 MET A 59 5.526 -13.004 -4.690 1.00 0.00 H new ATOM 0 HE2 MET A 59 5.371 -12.229 -6.285 1.00 0.00 H new ATOM 0 HE3 MET A 59 5.635 -11.233 -4.833 1.00 0.00 H new ATOM 912 N GLU A 60 -0.263 -9.455 -7.888 1.00 0.00 N ATOM 913 CA GLU A 60 -1.689 -9.717 -8.268 1.00 0.00 C ATOM 914 C GLU A 60 -2.651 -9.065 -7.267 1.00 0.00 C ATOM 915 O GLU A 60 -3.776 -9.491 -7.109 1.00 0.00 O ATOM 916 CB GLU A 60 -1.943 -11.227 -8.306 1.00 0.00 C ATOM 917 CG GLU A 60 -3.091 -11.529 -9.272 1.00 0.00 C ATOM 918 CD GLU A 60 -2.527 -11.801 -10.667 1.00 0.00 C ATOM 919 OE1 GLU A 60 -1.905 -12.836 -10.840 1.00 0.00 O ATOM 920 OE2 GLU A 60 -2.728 -10.970 -11.538 1.00 0.00 O ATOM 0 H GLU A 60 0.184 -8.689 -8.392 1.00 0.00 H new ATOM 0 HA GLU A 60 -1.866 -9.286 -9.253 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -1.041 -11.750 -8.622 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -2.189 -11.590 -7.308 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -3.657 -12.393 -8.922 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -3.783 -10.687 -9.306 1.00 0.00 H new ATOM 927 N HIS A 61 -2.222 -8.032 -6.598 1.00 0.00 N ATOM 928 CA HIS A 61 -3.102 -7.343 -5.622 1.00 0.00 C ATOM 929 C HIS A 61 -3.752 -6.143 -6.304 1.00 0.00 C ATOM 930 O HIS A 61 -3.459 -5.838 -7.443 1.00 0.00 O ATOM 931 CB HIS A 61 -2.254 -6.879 -4.446 1.00 0.00 C ATOM 932 CG HIS A 61 -1.496 -8.058 -3.920 1.00 0.00 C ATOM 933 ND1 HIS A 61 -1.797 -9.349 -4.314 1.00 0.00 N ATOM 934 CD2 HIS A 61 -0.445 -8.164 -3.047 1.00 0.00 C ATOM 935 CE1 HIS A 61 -0.945 -10.172 -3.687 1.00 0.00 C ATOM 936 NE2 HIS A 61 -0.097 -9.504 -2.900 1.00 0.00 N ATOM 0 H HIS A 61 -1.288 -7.633 -6.689 1.00 0.00 H new ATOM 0 HA HIS A 61 -3.880 -8.017 -5.265 1.00 0.00 H new ATOM 0 HB2 HIS A 61 -1.566 -6.094 -4.760 1.00 0.00 H new ATOM 0 HB3 HIS A 61 -2.886 -6.455 -3.666 1.00 0.00 H new ATOM 0 HD1 HIS A 61 -2.533 -9.625 -4.964 1.00 0.00 H new ATOM 0 HD2 HIS A 61 0.039 -7.336 -2.550 1.00 0.00 H new ATOM 0 HE1 HIS A 61 -0.944 -11.246 -3.804 1.00 0.00 H new ATOM 944 N GLU A 62 -4.649 -5.468 -5.640 1.00 0.00 N ATOM 945 CA GLU A 62 -5.317 -4.315 -6.292 1.00 0.00 C ATOM 946 C GLU A 62 -5.120 -3.041 -5.488 1.00 0.00 C ATOM 947 O GLU A 62 -5.164 -3.040 -4.278 1.00 0.00 O ATOM 948 CB GLU A 62 -6.813 -4.584 -6.381 1.00 0.00 C ATOM 949 CG GLU A 62 -7.141 -5.267 -7.710 1.00 0.00 C ATOM 950 CD GLU A 62 -8.658 -5.288 -7.911 1.00 0.00 C ATOM 951 OE1 GLU A 62 -9.331 -5.943 -7.133 1.00 0.00 O ATOM 952 OE2 GLU A 62 -9.120 -4.648 -8.841 1.00 0.00 O ATOM 0 H GLU A 62 -4.944 -5.665 -4.684 1.00 0.00 H new ATOM 0 HA GLU A 62 -4.879 -4.190 -7.282 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -7.128 -5.215 -5.550 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -7.365 -3.648 -6.297 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -6.662 -4.736 -8.532 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -6.748 -6.284 -7.715 1.00 0.00 H new ATOM 959 N LEU A 63 -4.973 -1.951 -6.172 1.00 0.00 N ATOM 960 CA LEU A 63 -4.848 -0.639 -5.485 1.00 0.00 C ATOM 961 C LEU A 63 -6.279 -0.164 -5.266 1.00 0.00 C ATOM 962 O LEU A 63 -6.939 0.270 -6.188 1.00 0.00 O ATOM 963 CB LEU A 63 -4.068 0.335 -6.387 1.00 0.00 C ATOM 964 CG LEU A 63 -4.488 1.788 -6.128 1.00 0.00 C ATOM 965 CD1 LEU A 63 -3.874 2.280 -4.815 1.00 0.00 C ATOM 966 CD2 LEU A 63 -3.986 2.664 -7.277 1.00 0.00 C ATOM 0 H LEU A 63 -4.933 -1.909 -7.190 1.00 0.00 H new ATOM 0 HA LEU A 63 -4.308 -0.703 -4.540 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -2.999 0.225 -6.206 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -4.242 0.084 -7.433 1.00 0.00 H new ATOM 0 HG LEU A 63 -5.574 1.845 -6.061 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -4.176 3.312 -4.636 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -4.221 1.653 -3.994 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -2.787 2.226 -4.879 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -4.280 3.699 -7.101 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -2.899 2.601 -7.335 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -4.420 2.318 -8.215 1.00 0.00 H new ATOM 978 N VAL A 64 -6.794 -0.293 -4.079 1.00 0.00 N ATOM 979 CA VAL A 64 -8.186 0.092 -3.856 1.00 0.00 C ATOM 980 C VAL A 64 -8.341 1.620 -3.919 1.00 0.00 C ATOM 981 O VAL A 64 -9.207 2.118 -4.610 1.00 0.00 O ATOM 982 CB VAL A 64 -8.601 -0.494 -2.516 1.00 0.00 C ATOM 983 CG1 VAL A 64 -9.969 0.010 -2.149 1.00 0.00 C ATOM 984 CG2 VAL A 64 -8.669 -2.015 -2.636 1.00 0.00 C ATOM 0 H VAL A 64 -6.301 -0.650 -3.261 1.00 0.00 H new ATOM 0 HA VAL A 64 -8.841 -0.299 -4.635 1.00 0.00 H new ATOM 0 HB VAL A 64 -7.877 -0.202 -1.755 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -10.266 -0.410 -1.188 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -9.949 1.098 -2.079 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -10.685 -0.291 -2.914 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -8.966 -2.443 -1.678 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -9.400 -2.288 -3.398 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -7.690 -2.402 -2.918 1.00 0.00 H new ATOM 994 N ALA A 65 -7.519 2.383 -3.241 1.00 0.00 N ATOM 995 CA ALA A 65 -7.682 3.874 -3.345 1.00 0.00 C ATOM 996 C ALA A 65 -6.326 4.583 -3.210 1.00 0.00 C ATOM 997 O ALA A 65 -5.569 4.323 -2.329 1.00 0.00 O ATOM 998 CB ALA A 65 -8.620 4.358 -2.237 1.00 0.00 C ATOM 0 H ALA A 65 -6.764 2.056 -2.638 1.00 0.00 H new ATOM 0 HA ALA A 65 -8.102 4.111 -4.323 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -8.741 5.439 -2.309 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -9.592 3.876 -2.347 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -8.197 4.104 -1.265 1.00 0.00 H new ATOM 1004 N LYS A 66 -5.988 5.477 -4.080 1.00 0.00 N ATOM 1005 CA LYS A 66 -4.677 6.141 -3.931 1.00 0.00 C ATOM 1006 C LYS A 66 -4.834 7.495 -3.265 1.00 0.00 C ATOM 1007 O LYS A 66 -5.896 8.085 -3.238 1.00 0.00 O ATOM 1008 CB LYS A 66 -4.063 6.348 -5.292 1.00 0.00 C ATOM 1009 CG LYS A 66 -4.471 5.205 -6.191 1.00 0.00 C ATOM 1010 CD LYS A 66 -5.742 5.566 -6.963 1.00 0.00 C ATOM 1011 CE LYS A 66 -5.392 5.836 -8.427 1.00 0.00 C ATOM 1012 NZ LYS A 66 -6.638 5.834 -9.244 1.00 0.00 N ATOM 0 H LYS A 66 -6.552 5.774 -4.876 1.00 0.00 H new ATOM 0 HA LYS A 66 -4.040 5.507 -3.314 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -4.394 7.297 -5.715 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -2.977 6.396 -5.212 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -3.666 4.977 -6.889 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -4.641 4.308 -5.596 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -6.465 4.753 -6.895 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -6.210 6.446 -6.522 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -4.885 6.797 -8.520 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -4.703 5.075 -8.794 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -6.401 6.018 -10.240 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -7.104 4.908 -9.164 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -7.281 6.575 -8.899 1.00 0.00 H new ATOM 1026 N GLU A 67 -3.759 7.987 -2.742 1.00 0.00 N ATOM 1027 CA GLU A 67 -3.778 9.308 -2.076 1.00 0.00 C ATOM 1028 C GLU A 67 -2.524 10.093 -2.468 1.00 0.00 C ATOM 1029 O GLU A 67 -1.419 9.752 -2.093 1.00 0.00 O ATOM 1030 CB GLU A 67 -3.809 9.098 -0.576 1.00 0.00 C ATOM 1031 CG GLU A 67 -5.259 9.051 -0.091 1.00 0.00 C ATOM 1032 CD GLU A 67 -5.505 10.195 0.895 1.00 0.00 C ATOM 1033 OE1 GLU A 67 -4.751 11.152 0.861 1.00 0.00 O ATOM 1034 OE2 GLU A 67 -6.445 10.093 1.667 1.00 0.00 O ATOM 0 H GLU A 67 -2.851 7.523 -2.747 1.00 0.00 H new ATOM 0 HA GLU A 67 -4.659 9.871 -2.384 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -3.299 8.170 -0.319 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -3.274 9.905 -0.075 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -5.940 9.134 -0.938 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -5.462 8.093 0.388 1.00 0.00 H new ATOM 1041 N THR A 68 -2.690 11.142 -3.220 1.00 0.00 N ATOM 1042 CA THR A 68 -1.521 11.964 -3.648 1.00 0.00 C ATOM 1043 C THR A 68 -1.894 13.437 -3.506 1.00 0.00 C ATOM 1044 O THR A 68 -1.454 14.279 -4.264 1.00 0.00 O ATOM 1045 CB THR A 68 -1.194 11.657 -5.111 1.00 0.00 C ATOM 1046 OG1 THR A 68 -2.203 12.210 -5.945 1.00 0.00 O ATOM 1047 CG2 THR A 68 -1.134 10.143 -5.313 1.00 0.00 C ATOM 0 H THR A 68 -3.593 11.470 -3.561 1.00 0.00 H new ATOM 0 HA THR A 68 -0.651 11.736 -3.032 1.00 0.00 H new ATOM 0 HB THR A 68 -0.229 12.094 -5.370 1.00 0.00 H new ATOM 0 HG1 THR A 68 -1.995 12.016 -6.883 1.00 0.00 H new ATOM 0 HG21 THR A 68 -0.901 9.924 -6.355 1.00 0.00 H new ATOM 0 HG22 THR A 68 -0.360 9.721 -4.672 1.00 0.00 H new ATOM 0 HG23 THR A 68 -2.098 9.703 -5.056 1.00 0.00 H new ATOM 1055 N ASP A 69 -2.712 13.751 -2.537 1.00 0.00 N ATOM 1056 CA ASP A 69 -3.128 15.171 -2.341 1.00 0.00 C ATOM 1057 C ASP A 69 -2.015 15.952 -1.646 1.00 0.00 C ATOM 1058 O ASP A 69 -2.166 17.108 -1.305 1.00 0.00 O ATOM 1059 CB ASP A 69 -4.387 15.215 -1.481 1.00 0.00 C ATOM 1060 CG ASP A 69 -5.485 14.378 -2.142 1.00 0.00 C ATOM 1061 OD1 ASP A 69 -5.149 13.391 -2.775 1.00 0.00 O ATOM 1062 OD2 ASP A 69 -6.642 14.740 -2.004 1.00 0.00 O ATOM 0 H ASP A 69 -3.110 13.087 -1.873 1.00 0.00 H new ATOM 0 HA ASP A 69 -3.328 15.621 -3.313 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -4.173 14.831 -0.484 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -4.723 16.245 -1.361 1.00 0.00 H new ATOM 1067 N GLY A 70 -0.905 15.324 -1.438 1.00 0.00 N ATOM 1068 CA GLY A 70 0.230 15.988 -0.776 1.00 0.00 C ATOM 1069 C GLY A 70 0.746 15.089 0.325 1.00 0.00 C ATOM 1070 O GLY A 70 0.017 14.633 1.183 1.00 0.00 O ATOM 0 H GLY A 70 -0.734 14.355 -1.706 1.00 0.00 H new ATOM 0 HA2 GLY A 70 1.021 16.193 -1.498 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -0.082 16.948 -0.364 1.00 0.00 H new ATOM 1074 N LEU A 71 2.002 14.832 0.273 1.00 0.00 N ATOM 1075 CA LEU A 71 2.653 13.950 1.276 1.00 0.00 C ATOM 1076 C LEU A 71 2.006 14.129 2.659 1.00 0.00 C ATOM 1077 O LEU A 71 1.590 15.211 3.021 1.00 0.00 O ATOM 1078 CB LEU A 71 4.138 14.289 1.382 1.00 0.00 C ATOM 1079 CG LEU A 71 4.846 13.911 0.093 1.00 0.00 C ATOM 1080 CD1 LEU A 71 6.019 14.862 -0.151 1.00 0.00 C ATOM 1081 CD2 LEU A 71 5.370 12.480 0.210 1.00 0.00 C ATOM 0 H LEU A 71 2.632 15.202 -0.439 1.00 0.00 H new ATOM 0 HA LEU A 71 2.527 12.917 0.950 1.00 0.00 H new ATOM 0 HB2 LEU A 71 4.264 15.354 1.578 1.00 0.00 H new ATOM 0 HB3 LEU A 71 4.583 13.755 2.222 1.00 0.00 H new ATOM 0 HG LEU A 71 4.146 13.982 -0.740 1.00 0.00 H new ATOM 0 HD11 LEU A 71 6.524 14.587 -1.077 1.00 0.00 H new ATOM 0 HD12 LEU A 71 5.648 15.884 -0.230 1.00 0.00 H new ATOM 0 HD13 LEU A 71 6.722 14.794 0.680 1.00 0.00 H new ATOM 0 HD21 LEU A 71 5.880 12.203 -0.713 1.00 0.00 H new ATOM 0 HD22 LEU A 71 6.069 12.415 1.044 1.00 0.00 H new ATOM 0 HD23 LEU A 71 4.536 11.800 0.382 1.00 0.00 H new ATOM 1093 N PRO A 72 1.968 13.045 3.386 1.00 0.00 N ATOM 1094 CA PRO A 72 2.485 11.762 2.902 1.00 0.00 C ATOM 1095 C PRO A 72 1.430 11.100 2.018 1.00 0.00 C ATOM 1096 O PRO A 72 0.242 11.258 2.218 1.00 0.00 O ATOM 1097 CB PRO A 72 2.680 10.944 4.162 1.00 0.00 C ATOM 1098 CG PRO A 72 1.712 11.546 5.199 1.00 0.00 C ATOM 1099 CD PRO A 72 1.424 12.993 4.752 1.00 0.00 C ATOM 0 HA PRO A 72 3.400 11.860 2.318 1.00 0.00 H new ATOM 0 HB2 PRO A 72 2.460 9.891 3.984 1.00 0.00 H new ATOM 0 HB3 PRO A 72 3.712 10.999 4.510 1.00 0.00 H new ATOM 0 HG2 PRO A 72 0.790 10.966 5.250 1.00 0.00 H new ATOM 0 HG3 PRO A 72 2.154 11.530 6.195 1.00 0.00 H new ATOM 0 HD2 PRO A 72 0.357 13.213 4.768 1.00 0.00 H new ATOM 0 HD3 PRO A 72 1.909 13.719 5.405 1.00 0.00 H new ATOM 1107 N TYR A 73 1.860 10.362 1.055 1.00 0.00 N ATOM 1108 CA TYR A 73 0.909 9.668 0.146 1.00 0.00 C ATOM 1109 C TYR A 73 0.224 8.522 0.867 1.00 0.00 C ATOM 1110 O TYR A 73 0.680 8.065 1.891 1.00 0.00 O ATOM 1111 CB TYR A 73 1.651 9.027 -0.998 1.00 0.00 C ATOM 1112 CG TYR A 73 2.760 9.901 -1.472 1.00 0.00 C ATOM 1113 CD1 TYR A 73 2.501 10.990 -2.303 1.00 0.00 C ATOM 1114 CD2 TYR A 73 4.055 9.575 -1.113 1.00 0.00 C ATOM 1115 CE1 TYR A 73 3.559 11.770 -2.768 1.00 0.00 C ATOM 1116 CE2 TYR A 73 5.124 10.334 -1.580 1.00 0.00 C ATOM 1117 CZ TYR A 73 4.879 11.443 -2.410 1.00 0.00 C ATOM 1118 OH TYR A 73 5.932 12.203 -2.878 1.00 0.00 O ATOM 0 H TYR A 73 2.846 10.201 0.848 1.00 0.00 H new ATOM 0 HA TYR A 73 0.195 10.417 -0.197 1.00 0.00 H new ATOM 0 HB2 TYR A 73 2.052 8.064 -0.682 1.00 0.00 H new ATOM 0 HB3 TYR A 73 0.961 8.831 -1.819 1.00 0.00 H new ATOM 0 HD1 TYR A 73 1.486 11.228 -2.585 1.00 0.00 H new ATOM 0 HD2 TYR A 73 4.238 8.728 -0.468 1.00 0.00 H new ATOM 0 HE1 TYR A 73 3.365 12.623 -3.401 1.00 0.00 H new ATOM 0 HE2 TYR A 73 6.136 10.073 -1.307 1.00 0.00 H new ATOM 0 HH TYR A 73 5.634 13.127 -3.012 1.00 0.00 H new ATOM 1128 N ARG A 74 -0.827 8.003 0.299 1.00 0.00 N ATOM 1129 CA ARG A 74 -1.484 6.842 0.905 1.00 0.00 C ATOM 1130 C ARG A 74 -2.077 6.021 -0.206 1.00 0.00 C ATOM 1131 O ARG A 74 -2.406 6.524 -1.246 1.00 0.00 O ATOM 1132 CB ARG A 74 -2.560 7.279 1.874 1.00 0.00 C ATOM 1133 CG ARG A 74 -1.931 7.451 3.241 1.00 0.00 C ATOM 1134 CD ARG A 74 -2.665 8.542 4.024 1.00 0.00 C ATOM 1135 NE ARG A 74 -3.715 7.921 4.881 1.00 0.00 N ATOM 1136 CZ ARG A 74 -4.861 8.522 5.044 1.00 0.00 C ATOM 1137 NH1 ARG A 74 -5.439 9.111 4.032 1.00 0.00 N ATOM 1138 NH2 ARG A 74 -5.430 8.535 6.219 1.00 0.00 N ATOM 0 H ARG A 74 -1.252 8.343 -0.563 1.00 0.00 H new ATOM 0 HA ARG A 74 -0.760 6.253 1.468 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -3.011 8.215 1.543 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -3.358 6.538 1.914 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -1.971 6.510 3.789 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -0.879 7.714 3.135 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -1.959 9.098 4.641 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -3.118 9.256 3.336 1.00 0.00 H new ATOM 0 HE ARG A 74 -3.537 7.027 5.339 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -4.994 9.101 3.114 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -6.335 9.581 4.159 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -4.978 8.075 7.010 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -6.326 9.005 6.346 1.00 0.00 H new ATOM 1152 N TYR A 75 -2.209 4.764 -0.005 1.00 0.00 N ATOM 1153 CA TYR A 75 -2.765 3.921 -1.075 1.00 0.00 C ATOM 1154 C TYR A 75 -3.402 2.704 -0.456 1.00 0.00 C ATOM 1155 O TYR A 75 -2.757 1.961 0.259 1.00 0.00 O ATOM 1156 CB TYR A 75 -1.664 3.443 -2.007 1.00 0.00 C ATOM 1157 CG TYR A 75 -0.530 4.426 -2.042 1.00 0.00 C ATOM 1158 CD1 TYR A 75 -0.622 5.615 -2.767 1.00 0.00 C ATOM 1159 CD2 TYR A 75 0.635 4.105 -1.377 1.00 0.00 C ATOM 1160 CE1 TYR A 75 0.474 6.484 -2.827 1.00 0.00 C ATOM 1161 CE2 TYR A 75 1.735 4.970 -1.417 1.00 0.00 C ATOM 1162 CZ TYR A 75 1.656 6.161 -2.150 1.00 0.00 C ATOM 1163 OH TYR A 75 2.744 7.005 -2.215 1.00 0.00 O ATOM 0 H TYR A 75 -1.957 4.276 0.854 1.00 0.00 H new ATOM 0 HA TYR A 75 -3.492 4.508 -1.636 1.00 0.00 H new ATOM 0 HB2 TYR A 75 -1.298 2.471 -1.676 1.00 0.00 H new ATOM 0 HB3 TYR A 75 -2.065 3.308 -3.011 1.00 0.00 H new ATOM 0 HD1 TYR A 75 -1.538 5.865 -3.281 1.00 0.00 H new ATOM 0 HD2 TYR A 75 0.699 3.181 -0.822 1.00 0.00 H new ATOM 0 HE1 TYR A 75 0.408 7.401 -3.394 1.00 0.00 H new ATOM 0 HE2 TYR A 75 2.641 4.720 -0.885 1.00 0.00 H new ATOM 0 HH TYR A 75 3.458 6.664 -1.637 1.00 0.00 H new ATOM 1173 N LEU A 76 -4.634 2.449 -0.733 1.00 0.00 N ATOM 1174 CA LEU A 76 -5.220 1.257 -0.169 1.00 0.00 C ATOM 1175 C LEU A 76 -4.950 0.140 -1.156 1.00 0.00 C ATOM 1176 O LEU A 76 -4.832 0.389 -2.339 1.00 0.00 O ATOM 1177 CB LEU A 76 -6.716 1.375 -0.025 1.00 0.00 C ATOM 1178 CG LEU A 76 -7.228 0.068 0.549 1.00 0.00 C ATOM 1179 CD1 LEU A 76 -6.885 -0.012 2.035 1.00 0.00 C ATOM 1180 CD2 LEU A 76 -8.721 0.007 0.342 1.00 0.00 C ATOM 0 H LEU A 76 -5.245 3.016 -1.321 1.00 0.00 H new ATOM 0 HA LEU A 76 -4.794 1.083 0.819 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -6.973 2.207 0.630 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -7.179 1.576 -0.991 1.00 0.00 H new ATOM 0 HG LEU A 76 -6.758 -0.777 0.046 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -7.255 -0.952 2.444 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -5.804 0.039 2.162 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -7.352 0.821 2.561 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -9.107 -0.928 0.749 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -9.194 0.847 0.851 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -8.943 0.057 -0.724 1.00 0.00 H new ATOM 1192 N ILE A 77 -4.863 -1.074 -0.729 1.00 0.00 N ATOM 1193 CA ILE A 77 -4.621 -2.137 -1.711 1.00 0.00 C ATOM 1194 C ILE A 77 -5.363 -3.405 -1.307 1.00 0.00 C ATOM 1195 O ILE A 77 -4.987 -4.082 -0.370 1.00 0.00 O ATOM 1196 CB ILE A 77 -3.124 -2.397 -1.757 1.00 0.00 C ATOM 1197 CG1 ILE A 77 -2.399 -1.052 -1.879 1.00 0.00 C ATOM 1198 CG2 ILE A 77 -2.790 -3.293 -2.952 1.00 0.00 C ATOM 1199 CD1 ILE A 77 -0.961 -1.267 -2.355 1.00 0.00 C ATOM 0 H ILE A 77 -4.948 -1.372 0.243 1.00 0.00 H new ATOM 0 HA ILE A 77 -4.983 -1.834 -2.694 1.00 0.00 H new ATOM 0 HB ILE A 77 -2.802 -2.904 -0.847 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -2.929 -0.407 -2.580 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -2.398 -0.542 -0.915 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -1.716 -3.476 -2.980 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -3.318 -4.242 -2.854 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -3.098 -2.800 -3.874 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -0.457 -0.304 -2.437 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -0.430 -1.894 -1.638 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -0.969 -1.757 -3.329 1.00 0.00 H new ATOM 1211 N ARG A 78 -6.415 -3.746 -2.006 1.00 0.00 N ATOM 1212 CA ARG A 78 -7.150 -4.987 -1.636 1.00 0.00 C ATOM 1213 C ARG A 78 -6.299 -6.195 -2.033 1.00 0.00 C ATOM 1214 O ARG A 78 -6.098 -6.467 -3.199 1.00 0.00 O ATOM 1215 CB ARG A 78 -8.490 -5.037 -2.374 1.00 0.00 C ATOM 1216 CG ARG A 78 -9.088 -6.442 -2.255 1.00 0.00 C ATOM 1217 CD ARG A 78 -10.554 -6.339 -1.829 1.00 0.00 C ATOM 1218 NE ARG A 78 -11.278 -7.579 -2.232 1.00 0.00 N ATOM 1219 CZ ARG A 78 -11.179 -8.024 -3.455 1.00 0.00 C ATOM 1220 NH1 ARG A 78 -11.824 -7.430 -4.420 1.00 0.00 N ATOM 1221 NH2 ARG A 78 -10.437 -9.067 -3.711 1.00 0.00 N ATOM 0 H ARG A 78 -6.790 -3.229 -2.801 1.00 0.00 H new ATOM 0 HA ARG A 78 -7.339 -4.999 -0.563 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -9.176 -4.302 -1.954 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -8.349 -4.778 -3.423 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -9.011 -6.963 -3.209 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -8.527 -7.027 -1.526 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -10.621 -6.200 -0.750 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -11.018 -5.468 -2.292 1.00 0.00 H new ATOM 0 HE ARG A 78 -11.850 -8.079 -1.552 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -12.406 -6.617 -4.219 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -11.746 -7.778 -5.376 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -9.935 -9.534 -2.956 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -10.359 -9.415 -4.666 1.00 0.00 H new ATOM 1235 N LYS A 79 -5.806 -6.929 -1.070 1.00 0.00 N ATOM 1236 CA LYS A 79 -4.977 -8.119 -1.392 1.00 0.00 C ATOM 1237 C LYS A 79 -5.864 -9.112 -2.112 1.00 0.00 C ATOM 1238 O LYS A 79 -6.718 -9.716 -1.511 1.00 0.00 O ATOM 1239 CB LYS A 79 -4.453 -8.740 -0.098 1.00 0.00 C ATOM 1240 CG LYS A 79 -2.947 -8.982 -0.218 1.00 0.00 C ATOM 1241 CD LYS A 79 -2.634 -10.440 0.124 1.00 0.00 C ATOM 1242 CE LYS A 79 -2.435 -11.235 -1.168 1.00 0.00 C ATOM 1243 NZ LYS A 79 -3.047 -12.585 -1.020 1.00 0.00 N ATOM 0 H LYS A 79 -5.944 -6.753 -0.075 1.00 0.00 H new ATOM 0 HA LYS A 79 -4.127 -7.842 -2.016 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -4.659 -8.079 0.744 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -4.968 -9.680 0.101 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -2.611 -8.755 -1.230 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -2.406 -8.316 0.454 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -1.736 -10.496 0.740 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -3.448 -10.871 0.707 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -2.891 -10.707 -2.006 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -1.372 -11.328 -1.390 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -2.912 -13.126 -1.898 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -2.593 -13.087 -0.231 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -4.064 -12.486 -0.828 1.00 0.00 H new ATOM 1257 N GLY A 80 -5.684 -9.261 -3.395 1.00 0.00 N ATOM 1258 CA GLY A 80 -6.533 -10.208 -4.167 1.00 0.00 C ATOM 1259 C GLY A 80 -6.350 -9.944 -5.661 1.00 0.00 C ATOM 1260 O GLY A 80 -5.780 -8.948 -6.060 1.00 0.00 O ATOM 0 H GLY A 80 -4.982 -8.765 -3.944 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -6.259 -11.236 -3.931 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -7.580 -10.086 -3.889 1.00 0.00 H new ATOM 1264 N GLY A 81 -6.833 -10.823 -6.489 1.00 0.00 N ATOM 1265 CA GLY A 81 -6.692 -10.623 -7.959 1.00 0.00 C ATOM 1266 C GLY A 81 -8.077 -10.498 -8.593 1.00 0.00 C ATOM 1267 O GLY A 81 -8.221 -10.896 -9.738 1.00 0.00 O ATOM 1268 OXT GLY A 81 -8.972 -10.007 -7.924 1.00 0.00 O ATOM 0 H GLY A 81 -7.321 -11.675 -6.213 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -6.106 -9.726 -8.160 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -6.153 -11.461 -8.400 1.00 0.00 H new TER 1272 GLY A 81