USER MOD reduce.3.24.130724 H: found=0, std=0, add=590, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 588 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 26 THR OG1 : rot 32:sc= 1.13 USER MOD Set 1.2: A 29 SER OG : rot -160:sc= 1.24 USER MOD Set 2.1: A 2 LYS NZ :NH3+ 168:sc= 1.21 (180deg=0) USER MOD Set 2.2: A 5 THR OG1 : rot -20:sc= 0.372 USER MOD Single : A 1 ALA N :NH3+ -106:sc= 0.114 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 SER OG : rot 120:sc= -0.87 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ -101:sc= -0.44 (180deg=-1.96!) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 41 THR OG1 : rot 77:sc= 0.591 USER MOD Single : A 46 MET CE :methyl -158:sc= -0.306 (180deg=-1.15) USER MOD Single : A 47 ASN : amide:sc= -0.237 X(o=-0.24,f=0) USER MOD Single : A 55 ASN : amide:sc= 0.359 X(o=0.36,f=-0.021) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 GLN : amide:sc= -0.0438 K(o=-0.044,f=-0.75) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 66 THR OG1 : rot 131:sc= 0.175 USER MOD Single : A 68 GLN :FLIP amide:sc= -1.21 F(o=-3.9!,f=-1.2) USER MOD Single : A 69 GLN : amide:sc= -0.114 X(o=-0.11,f=-0.11) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -7.223 -3.513 9.486 1.00 0.00 N ATOM 2 CA ALA A 1 -6.704 -4.346 8.409 1.00 71.14 C ATOM 3 C ALA A 1 -6.313 -5.727 8.923 1.00 74.35 C ATOM 4 O ALA A 1 -6.246 -5.956 10.131 1.00 20.00 O ATOM 5 CB ALA A 1 -5.513 -3.671 7.746 1.00 73.21 C ATOM 0 H1 ALA A 1 -8.255 -3.425 9.390 1.00 0.00 H new ATOM 0 H2 ALA A 1 -6.997 -3.949 10.402 1.00 0.00 H new ATOM 0 H3 ALA A 1 -6.789 -2.569 9.435 1.00 0.00 H new ATOM 0 HA ALA A 1 -7.494 -4.473 7.669 1.00 71.14 H new ATOM 0 HB1 ALA A 1 -5.136 -4.305 6.943 1.00 73.21 H new ATOM 0 HB2 ALA A 1 -5.822 -2.710 7.335 1.00 73.21 H new ATOM 0 HB3 ALA A 1 -4.727 -3.514 8.484 1.00 73.21 H new ATOM 11 N LYS A 2 -6.056 -6.647 7.999 1.00 31.42 N ATOM 12 CA LYS A 2 -5.671 -8.007 8.358 1.00 71.33 C ATOM 13 C LYS A 2 -4.278 -8.336 7.828 1.00 12.43 C ATOM 14 O LYS A 2 -3.806 -7.721 6.872 1.00 22.31 O ATOM 15 CB LYS A 2 -6.688 -9.009 7.807 1.00 74.32 C ATOM 16 CG LYS A 2 -7.068 -8.756 6.360 1.00 53.55 C ATOM 17 CD LYS A 2 -8.413 -8.056 6.251 1.00 3.01 C ATOM 18 CE LYS A 2 -9.202 -8.547 5.047 1.00 41.32 C ATOM 19 NZ LYS A 2 -9.183 -7.561 3.932 1.00 44.44 N ATOM 0 H LYS A 2 -6.107 -6.475 6.995 1.00 31.42 H new ATOM 0 HA LYS A 2 -5.653 -8.078 9.446 1.00 71.33 H new ATOM 0 HB2 LYS A 2 -6.279 -10.015 7.896 1.00 74.32 H new ATOM 0 HB3 LYS A 2 -7.588 -8.976 8.421 1.00 74.32 H new ATOM 0 HG2 LYS A 2 -6.300 -8.147 5.882 1.00 53.55 H new ATOM 0 HG3 LYS A 2 -7.105 -9.703 5.822 1.00 53.55 H new ATOM 0 HD2 LYS A 2 -8.989 -8.229 7.160 1.00 3.01 H new ATOM 0 HD3 LYS A 2 -8.259 -6.980 6.172 1.00 3.01 H new ATOM 0 HE2 LYS A 2 -8.786 -9.494 4.702 1.00 41.32 H new ATOM 0 HE3 LYS A 2 -10.233 -8.741 5.343 1.00 41.32 H new ATOM 0 HZ1 LYS A 2 -9.551 -8.007 3.068 1.00 44.44 H new ATOM 0 HZ2 LYS A 2 -9.777 -6.745 4.180 1.00 44.44 H new ATOM 0 HZ3 LYS A 2 -8.207 -7.241 3.768 1.00 44.44 H new ATOM 33 N LYS A 3 -3.628 -9.311 8.453 1.00 23.33 N ATOM 34 CA LYS A 3 -2.291 -9.724 8.043 1.00 31.42 C ATOM 35 C LYS A 3 -2.276 -10.141 6.577 1.00 5.13 C ATOM 36 O LYS A 3 -1.257 -10.018 5.898 1.00 32.41 O ATOM 37 CB LYS A 3 -1.802 -10.882 8.918 1.00 2.14 C ATOM 38 CG LYS A 3 -2.766 -12.054 8.969 1.00 21.14 C ATOM 39 CD LYS A 3 -3.463 -12.144 10.316 1.00 34.32 C ATOM 40 CE LYS A 3 -2.719 -13.066 11.269 1.00 74.45 C ATOM 41 NZ LYS A 3 -3.618 -13.622 12.319 1.00 24.45 N ATOM 0 H LYS A 3 -4.005 -9.830 9.246 1.00 23.33 H new ATOM 0 HA LYS A 3 -1.621 -8.873 8.168 1.00 31.42 H new ATOM 0 HB2 LYS A 3 -0.840 -11.230 8.542 1.00 2.14 H new ATOM 0 HB3 LYS A 3 -1.635 -10.516 9.931 1.00 2.14 H new ATOM 0 HG2 LYS A 3 -3.510 -11.949 8.180 1.00 21.14 H new ATOM 0 HG3 LYS A 3 -2.225 -12.980 8.776 1.00 21.14 H new ATOM 0 HD2 LYS A 3 -3.538 -11.149 10.755 1.00 34.32 H new ATOM 0 HD3 LYS A 3 -4.481 -12.508 10.176 1.00 34.32 H new ATOM 0 HE2 LYS A 3 -2.269 -13.884 10.706 1.00 74.45 H new ATOM 0 HE3 LYS A 3 -1.904 -12.518 11.742 1.00 74.45 H new ATOM 0 HZ1 LYS A 3 -3.073 -14.245 12.948 1.00 24.45 H new ATOM 0 HZ2 LYS A 3 -4.028 -12.843 12.873 1.00 24.45 H new ATOM 0 HZ3 LYS A 3 -4.382 -14.166 11.869 1.00 24.45 H new ATOM 55 N GLU A 4 -3.413 -10.631 6.094 1.00 51.15 N ATOM 56 CA GLU A 4 -3.529 -11.064 4.706 1.00 54.02 C ATOM 57 C GLU A 4 -3.437 -9.874 3.755 1.00 55.23 C ATOM 58 O GLU A 4 -2.772 -9.941 2.721 1.00 4.32 O ATOM 59 CB GLU A 4 -4.851 -11.805 4.488 1.00 23.40 C ATOM 60 CG GLU A 4 -4.792 -13.276 4.862 1.00 74.33 C ATOM 61 CD GLU A 4 -3.925 -14.085 3.917 1.00 3.25 C ATOM 62 OE1 GLU A 4 -2.701 -14.163 4.156 1.00 13.31 O ATOM 63 OE2 GLU A 4 -4.468 -14.638 2.938 1.00 72.11 O ATOM 0 H GLU A 4 -4.266 -10.738 6.642 1.00 51.15 H new ATOM 0 HA GLU A 4 -2.702 -11.741 4.493 1.00 54.02 H new ATOM 0 HB2 GLU A 4 -5.631 -11.320 5.075 1.00 23.40 H new ATOM 0 HB3 GLU A 4 -5.139 -11.716 3.441 1.00 23.40 H new ATOM 0 HG2 GLU A 4 -4.406 -13.374 5.877 1.00 74.33 H new ATOM 0 HG3 GLU A 4 -5.802 -13.687 4.864 1.00 74.33 H new ATOM 70 N THR A 5 -4.112 -8.786 4.112 1.00 63.31 N ATOM 71 CA THR A 5 -4.110 -7.582 3.291 1.00 23.32 C ATOM 72 C THR A 5 -2.718 -6.963 3.228 1.00 22.40 C ATOM 73 O THR A 5 -2.231 -6.618 2.151 1.00 25.51 O ATOM 74 CB THR A 5 -5.101 -6.533 3.829 1.00 24.22 C ATOM 75 OG1 THR A 5 -6.425 -7.076 3.850 1.00 73.44 O ATOM 76 CG2 THR A 5 -5.077 -5.276 2.973 1.00 3.51 C ATOM 0 H THR A 5 -4.667 -8.714 4.965 1.00 63.31 H new ATOM 0 HA THR A 5 -4.418 -7.882 2.289 1.00 23.32 H new ATOM 0 HB THR A 5 -4.801 -6.269 4.843 1.00 24.22 H new ATOM 0 HG1 THR A 5 -6.474 -7.843 3.241 1.00 73.44 H new ATOM 0 HG21 THR A 5 -5.785 -4.550 3.373 1.00 3.51 H new ATOM 0 HG22 THR A 5 -4.074 -4.848 2.983 1.00 3.51 H new ATOM 0 HG23 THR A 5 -5.354 -5.528 1.949 1.00 3.51 H new ATOM 84 N ILE A 6 -2.082 -6.826 4.387 1.00 1.45 N ATOM 85 CA ILE A 6 -0.746 -6.250 4.461 1.00 32.23 C ATOM 86 C ILE A 6 0.214 -6.962 3.514 1.00 51.53 C ATOM 87 O ILE A 6 1.071 -6.333 2.893 1.00 34.01 O ATOM 88 CB ILE A 6 -0.181 -6.320 5.893 1.00 53.44 C ATOM 89 CG1 ILE A 6 -1.104 -5.583 6.865 1.00 75.05 C ATOM 90 CG2 ILE A 6 1.221 -5.734 5.939 1.00 65.22 C ATOM 91 CD1 ILE A 6 -0.887 -5.965 8.312 1.00 70.42 C ATOM 0 H ILE A 6 -2.471 -7.106 5.287 1.00 1.45 H new ATOM 0 HA ILE A 6 -0.837 -5.205 4.165 1.00 32.23 H new ATOM 0 HB ILE A 6 -0.126 -7.366 6.195 1.00 53.44 H new ATOM 0 HG12 ILE A 6 -0.952 -4.509 6.754 1.00 75.05 H new ATOM 0 HG13 ILE A 6 -2.140 -5.788 6.595 1.00 75.05 H new ATOM 0 HG21 ILE A 6 1.606 -5.791 6.957 1.00 65.22 H new ATOM 0 HG22 ILE A 6 1.873 -6.298 5.272 1.00 65.22 H new ATOM 0 HG23 ILE A 6 1.190 -4.692 5.620 1.00 65.22 H new ATOM 0 HD11 ILE A 6 -1.575 -5.404 8.944 1.00 70.42 H new ATOM 0 HD12 ILE A 6 -1.068 -7.033 8.438 1.00 70.42 H new ATOM 0 HD13 ILE A 6 0.139 -5.735 8.599 1.00 70.42 H new ATOM 103 N ASP A 7 0.061 -8.277 3.405 1.00 25.30 N ATOM 104 CA ASP A 7 0.912 -9.076 2.530 1.00 1.32 C ATOM 105 C ASP A 7 0.687 -8.705 1.068 1.00 0.44 C ATOM 106 O ASP A 7 1.634 -8.620 0.284 1.00 33.03 O ATOM 107 CB ASP A 7 0.638 -10.566 2.739 1.00 2.03 C ATOM 108 CG ASP A 7 1.851 -11.424 2.441 1.00 62.34 C ATOM 109 OD1 ASP A 7 2.858 -11.302 3.170 1.00 41.53 O ATOM 110 OD2 ASP A 7 1.795 -12.218 1.478 1.00 61.21 O ATOM 0 H ASP A 7 -0.644 -8.813 3.911 1.00 25.30 H new ATOM 0 HA ASP A 7 1.951 -8.867 2.784 1.00 1.32 H new ATOM 0 HB2 ASP A 7 0.322 -10.734 3.769 1.00 2.03 H new ATOM 0 HB3 ASP A 7 -0.188 -10.874 2.098 1.00 2.03 H new ATOM 115 N LYS A 8 -0.573 -8.485 0.705 1.00 62.52 N ATOM 116 CA LYS A 8 -0.923 -8.123 -0.663 1.00 5.30 C ATOM 117 C LYS A 8 -0.289 -6.792 -1.053 1.00 3.12 C ATOM 118 O LYS A 8 0.420 -6.700 -2.056 1.00 11.04 O ATOM 119 CB LYS A 8 -2.443 -8.041 -0.817 1.00 4.11 C ATOM 120 CG LYS A 8 -3.178 -9.241 -0.246 1.00 61.51 C ATOM 121 CD LYS A 8 -4.380 -9.615 -1.096 1.00 71.15 C ATOM 122 CE LYS A 8 -3.957 -10.296 -2.389 1.00 52.40 C ATOM 123 NZ LYS A 8 -5.092 -10.423 -3.345 1.00 13.20 N ATOM 0 H LYS A 8 -1.368 -8.551 1.340 1.00 62.52 H new ATOM 0 HA LYS A 8 -0.538 -8.897 -1.327 1.00 5.30 H new ATOM 0 HB2 LYS A 8 -2.801 -7.138 -0.324 1.00 4.11 H new ATOM 0 HB3 LYS A 8 -2.688 -7.945 -1.875 1.00 4.11 H new ATOM 0 HG2 LYS A 8 -2.497 -10.090 -0.184 1.00 61.51 H new ATOM 0 HG3 LYS A 8 -3.505 -9.019 0.770 1.00 61.51 H new ATOM 0 HD2 LYS A 8 -5.034 -10.279 -0.531 1.00 71.15 H new ATOM 0 HD3 LYS A 8 -4.957 -8.719 -1.327 1.00 71.15 H new ATOM 0 HE2 LYS A 8 -3.153 -9.726 -2.854 1.00 52.40 H new ATOM 0 HE3 LYS A 8 -3.558 -11.285 -2.165 1.00 52.40 H new ATOM 0 HZ1 LYS A 8 -4.764 -10.892 -4.213 1.00 13.20 H new ATOM 0 HZ2 LYS A 8 -5.849 -10.988 -2.911 1.00 13.20 H new ATOM 0 HZ3 LYS A 8 -5.456 -9.477 -3.579 1.00 13.20 H new ATOM 137 N VAL A 9 -0.548 -5.762 -0.253 1.00 45.23 N ATOM 138 CA VAL A 9 0.000 -4.435 -0.513 1.00 40.35 C ATOM 139 C VAL A 9 1.524 -4.459 -0.506 1.00 12.35 C ATOM 140 O VAL A 9 2.168 -3.890 -1.388 1.00 72.32 O ATOM 141 CB VAL A 9 -0.493 -3.411 0.527 1.00 23.41 C ATOM 142 CG1 VAL A 9 -0.048 -2.008 0.146 1.00 25.35 C ATOM 143 CG2 VAL A 9 -2.005 -3.480 0.668 1.00 52.14 C ATOM 0 H VAL A 9 -1.134 -5.821 0.580 1.00 45.23 H new ATOM 0 HA VAL A 9 -0.350 -4.135 -1.501 1.00 40.35 H new ATOM 0 HB VAL A 9 -0.050 -3.657 1.492 1.00 23.41 H new ATOM 0 HG11 VAL A 9 -0.405 -1.298 0.892 1.00 25.35 H new ATOM 0 HG12 VAL A 9 1.040 -1.971 0.102 1.00 25.35 H new ATOM 0 HG13 VAL A 9 -0.460 -1.748 -0.829 1.00 25.35 H new ATOM 0 HG21 VAL A 9 -2.335 -2.750 1.407 1.00 52.14 H new ATOM 0 HG22 VAL A 9 -2.470 -3.260 -0.293 1.00 52.14 H new ATOM 0 HG23 VAL A 9 -2.295 -4.480 0.991 1.00 52.14 H new ATOM 153 N SER A 10 2.095 -5.121 0.496 1.00 4.32 N ATOM 154 CA SER A 10 3.545 -5.216 0.620 1.00 14.11 C ATOM 155 C SER A 10 4.154 -5.867 -0.618 1.00 24.42 C ATOM 156 O SER A 10 5.206 -5.445 -1.101 1.00 60.42 O ATOM 157 CB SER A 10 3.919 -6.017 1.868 1.00 43.10 C ATOM 158 OG SER A 10 3.902 -5.198 3.024 1.00 23.33 O ATOM 0 H SER A 10 1.576 -5.599 1.233 1.00 4.32 H new ATOM 0 HA SER A 10 3.945 -4.206 0.712 1.00 14.11 H new ATOM 0 HB2 SER A 10 3.222 -6.845 1.995 1.00 43.10 H new ATOM 0 HB3 SER A 10 4.910 -6.452 1.741 1.00 43.10 H new ATOM 0 HG SER A 10 3.249 -5.550 3.665 1.00 23.33 H new ATOM 164 N ASP A 11 3.488 -6.897 -1.125 1.00 45.45 N ATOM 165 CA ASP A 11 3.962 -7.607 -2.308 1.00 43.31 C ATOM 166 C ASP A 11 4.115 -6.654 -3.490 1.00 15.31 C ATOM 167 O ASP A 11 5.113 -6.697 -4.211 1.00 34.33 O ATOM 168 CB ASP A 11 2.999 -8.738 -2.671 1.00 62.01 C ATOM 169 CG ASP A 11 3.401 -10.062 -2.050 1.00 1.11 C ATOM 170 OD1 ASP A 11 4.597 -10.414 -2.126 1.00 1.25 O ATOM 171 OD2 ASP A 11 2.520 -10.747 -1.490 1.00 43.14 O ATOM 0 H ASP A 11 2.618 -7.260 -0.736 1.00 45.45 H new ATOM 0 HA ASP A 11 4.939 -8.032 -2.078 1.00 43.31 H new ATOM 0 HB2 ASP A 11 1.994 -8.475 -2.341 1.00 62.01 H new ATOM 0 HB3 ASP A 11 2.961 -8.845 -3.755 1.00 62.01 H new ATOM 176 N ILE A 12 3.118 -5.796 -3.683 1.00 64.12 N ATOM 177 CA ILE A 12 3.143 -4.833 -4.777 1.00 1.43 C ATOM 178 C ILE A 12 4.131 -3.706 -4.496 1.00 64.41 C ATOM 179 O ILE A 12 4.936 -3.343 -5.355 1.00 61.10 O ATOM 180 CB ILE A 12 1.749 -4.227 -5.025 1.00 13.34 C ATOM 181 CG1 ILE A 12 0.740 -5.330 -5.353 1.00 24.25 C ATOM 182 CG2 ILE A 12 1.807 -3.203 -6.148 1.00 44.20 C ATOM 183 CD1 ILE A 12 -0.592 -5.157 -4.657 1.00 30.11 C ATOM 0 H ILE A 12 2.285 -5.748 -3.097 1.00 64.12 H new ATOM 0 HA ILE A 12 3.459 -5.376 -5.668 1.00 1.43 H new ATOM 0 HB ILE A 12 1.423 -3.721 -4.116 1.00 13.34 H new ATOM 0 HG12 ILE A 12 0.577 -5.354 -6.431 1.00 24.25 H new ATOM 0 HG13 ILE A 12 1.164 -6.294 -5.073 1.00 24.25 H new ATOM 0 HG21 ILE A 12 0.814 -2.784 -6.310 1.00 44.20 H new ATOM 0 HG22 ILE A 12 2.497 -2.404 -5.877 1.00 44.20 H new ATOM 0 HG23 ILE A 12 2.151 -3.685 -7.063 1.00 44.20 H new ATOM 0 HD11 ILE A 12 -1.257 -5.974 -4.936 1.00 30.11 H new ATOM 0 HD12 ILE A 12 -0.442 -5.163 -3.577 1.00 30.11 H new ATOM 0 HD13 ILE A 12 -1.038 -4.208 -4.956 1.00 30.11 H new ATOM 195 N VAL A 13 4.067 -3.157 -3.287 1.00 64.14 N ATOM 196 CA VAL A 13 4.959 -2.074 -2.891 1.00 43.11 C ATOM 197 C VAL A 13 6.420 -2.477 -3.059 1.00 4.03 C ATOM 198 O VAL A 13 7.170 -1.840 -3.800 1.00 60.11 O ATOM 199 CB VAL A 13 4.719 -1.654 -1.429 1.00 54.42 C ATOM 200 CG1 VAL A 13 5.698 -0.566 -1.017 1.00 12.51 C ATOM 201 CG2 VAL A 13 3.282 -1.190 -1.239 1.00 52.22 C ATOM 0 H VAL A 13 3.407 -3.445 -2.565 1.00 64.14 H new ATOM 0 HA VAL A 13 4.740 -1.229 -3.544 1.00 43.11 H new ATOM 0 HB VAL A 13 4.886 -2.520 -0.788 1.00 54.42 H new ATOM 0 HG11 VAL A 13 5.512 -0.283 0.019 1.00 12.51 H new ATOM 0 HG12 VAL A 13 6.718 -0.938 -1.114 1.00 12.51 H new ATOM 0 HG13 VAL A 13 5.567 0.304 -1.660 1.00 12.51 H new ATOM 0 HG21 VAL A 13 3.129 -0.897 -0.200 1.00 52.22 H new ATOM 0 HG22 VAL A 13 3.086 -0.338 -1.890 1.00 52.22 H new ATOM 0 HG23 VAL A 13 2.601 -2.003 -1.491 1.00 52.22 H new ATOM 211 N LYS A 14 6.820 -3.537 -2.364 1.00 41.42 N ATOM 212 CA LYS A 14 8.191 -4.026 -2.437 1.00 61.33 C ATOM 213 C LYS A 14 8.595 -4.302 -3.882 1.00 33.32 C ATOM 214 O LYS A 14 9.759 -4.149 -4.249 1.00 4.13 O ATOM 215 CB LYS A 14 8.344 -5.300 -1.602 1.00 32.53 C ATOM 216 CG LYS A 14 7.693 -6.521 -2.228 1.00 43.22 C ATOM 217 CD LYS A 14 7.464 -7.620 -1.204 1.00 4.04 C ATOM 218 CE LYS A 14 8.775 -8.097 -0.597 1.00 5.15 C ATOM 219 NZ LYS A 14 8.639 -9.438 0.033 1.00 13.32 N ATOM 0 H LYS A 14 6.213 -4.074 -1.744 1.00 41.42 H new ATOM 0 HA LYS A 14 8.847 -3.254 -2.036 1.00 61.33 H new ATOM 0 HB2 LYS A 14 9.405 -5.501 -1.453 1.00 32.53 H new ATOM 0 HB3 LYS A 14 7.910 -5.132 -0.616 1.00 32.53 H new ATOM 0 HG2 LYS A 14 6.741 -6.237 -2.676 1.00 43.22 H new ATOM 0 HG3 LYS A 14 8.324 -6.898 -3.032 1.00 43.22 H new ATOM 0 HD2 LYS A 14 6.808 -7.253 -0.414 1.00 4.04 H new ATOM 0 HD3 LYS A 14 6.954 -8.459 -1.677 1.00 4.04 H new ATOM 0 HE2 LYS A 14 9.541 -8.136 -1.372 1.00 5.15 H new ATOM 0 HE3 LYS A 14 9.113 -7.378 0.149 1.00 5.15 H new ATOM 0 HZ1 LYS A 14 9.554 -9.727 0.435 1.00 13.32 H new ATOM 0 HZ2 LYS A 14 7.926 -9.396 0.789 1.00 13.32 H new ATOM 0 HZ3 LYS A 14 8.342 -10.130 -0.684 1.00 13.32 H new ATOM 233 N GLU A 15 7.626 -4.708 -4.696 1.00 62.12 N ATOM 234 CA GLU A 15 7.882 -5.003 -6.101 1.00 22.42 C ATOM 235 C GLU A 15 8.189 -3.727 -6.878 1.00 31.03 C ATOM 236 O GLU A 15 8.940 -3.745 -7.853 1.00 2.44 O ATOM 237 CB GLU A 15 6.681 -5.717 -6.723 1.00 13.33 C ATOM 238 CG GLU A 15 6.920 -6.184 -8.148 1.00 65.34 C ATOM 239 CD GLU A 15 6.683 -5.088 -9.169 1.00 3.10 C ATOM 240 OE1 GLU A 15 5.645 -4.401 -9.071 1.00 60.22 O ATOM 241 OE2 GLU A 15 7.536 -4.918 -10.066 1.00 42.52 O ATOM 0 H GLU A 15 6.657 -4.840 -4.407 1.00 62.12 H new ATOM 0 HA GLU A 15 8.752 -5.658 -6.155 1.00 22.42 H new ATOM 0 HB2 GLU A 15 6.422 -6.578 -6.107 1.00 13.33 H new ATOM 0 HB3 GLU A 15 5.823 -5.045 -6.709 1.00 13.33 H new ATOM 0 HG2 GLU A 15 7.944 -6.546 -8.241 1.00 65.34 H new ATOM 0 HG3 GLU A 15 6.263 -7.026 -8.365 1.00 65.34 H new ATOM 248 N LYS A 16 7.602 -2.618 -6.439 1.00 52.45 N ATOM 249 CA LYS A 16 7.810 -1.332 -7.092 1.00 3.23 C ATOM 250 C LYS A 16 9.108 -0.685 -6.618 1.00 71.35 C ATOM 251 O LYS A 16 9.702 0.130 -7.325 1.00 53.13 O ATOM 252 CB LYS A 16 6.631 -0.397 -6.811 1.00 3.13 C ATOM 253 CG LYS A 16 5.305 -0.913 -7.341 1.00 61.23 C ATOM 254 CD LYS A 16 5.150 -0.631 -8.826 1.00 70.24 C ATOM 255 CE LYS A 16 4.729 0.807 -9.079 1.00 25.23 C ATOM 256 NZ LYS A 16 5.903 1.700 -9.294 1.00 70.23 N ATOM 0 H LYS A 16 6.978 -2.585 -5.633 1.00 52.45 H new ATOM 0 HA LYS A 16 7.881 -1.506 -8.166 1.00 3.23 H new ATOM 0 HB2 LYS A 16 6.548 -0.244 -5.735 1.00 3.13 H new ATOM 0 HB3 LYS A 16 6.836 0.577 -7.256 1.00 3.13 H new ATOM 0 HG2 LYS A 16 5.234 -1.986 -7.164 1.00 61.23 H new ATOM 0 HG3 LYS A 16 4.487 -0.445 -6.794 1.00 61.23 H new ATOM 0 HD2 LYS A 16 6.093 -0.830 -9.336 1.00 70.24 H new ATOM 0 HD3 LYS A 16 4.409 -1.308 -9.251 1.00 70.24 H new ATOM 0 HE2 LYS A 16 4.078 0.846 -9.952 1.00 25.23 H new ATOM 0 HE3 LYS A 16 4.147 1.170 -8.231 1.00 25.23 H new ATOM 0 HZ1 LYS A 16 6.100 2.231 -8.422 1.00 70.23 H new ATOM 0 HZ2 LYS A 16 6.734 1.127 -9.545 1.00 70.23 H new ATOM 0 HZ3 LYS A 16 5.696 2.366 -10.066 1.00 70.23 H new ATOM 270 N LEU A 17 9.546 -1.057 -5.420 1.00 34.05 N ATOM 271 CA LEU A 17 10.775 -0.515 -4.853 1.00 63.11 C ATOM 272 C LEU A 17 11.954 -1.445 -5.120 1.00 5.21 C ATOM 273 O LEU A 17 13.110 -1.070 -4.924 1.00 41.44 O ATOM 274 CB LEU A 17 10.613 -0.298 -3.347 1.00 23.02 C ATOM 275 CG LEU A 17 9.418 0.554 -2.916 1.00 25.23 C ATOM 276 CD1 LEU A 17 9.447 0.791 -1.415 1.00 14.44 C ATOM 277 CD2 LEU A 17 9.408 1.877 -3.667 1.00 24.31 C ATOM 0 H LEU A 17 9.068 -1.732 -4.823 1.00 34.05 H new ATOM 0 HA LEU A 17 10.976 0.443 -5.333 1.00 63.11 H new ATOM 0 HB2 LEU A 17 10.531 -1.273 -2.867 1.00 23.02 H new ATOM 0 HB3 LEU A 17 11.522 0.169 -2.968 1.00 23.02 H new ATOM 0 HG LEU A 17 8.503 0.014 -3.160 1.00 25.23 H new ATOM 0 HD11 LEU A 17 8.590 1.399 -1.126 1.00 14.44 H new ATOM 0 HD12 LEU A 17 9.405 -0.166 -0.895 1.00 14.44 H new ATOM 0 HD13 LEU A 17 10.367 1.310 -1.146 1.00 14.44 H new ATOM 0 HD21 LEU A 17 8.551 2.470 -3.348 1.00 24.31 H new ATOM 0 HD22 LEU A 17 10.327 2.423 -3.454 1.00 24.31 H new ATOM 0 HD23 LEU A 17 9.339 1.687 -4.738 1.00 24.31 H new ATOM 289 N ALA A 18 11.653 -2.659 -5.570 1.00 21.12 N ATOM 290 CA ALA A 18 12.688 -3.640 -5.868 1.00 44.45 C ATOM 291 C ALA A 18 12.081 -4.932 -6.406 1.00 70.52 C ATOM 292 O ALA A 18 10.880 -5.002 -6.672 1.00 0.40 O ATOM 293 CB ALA A 18 13.522 -3.923 -4.627 1.00 41.34 C ATOM 0 H ALA A 18 10.701 -2.986 -5.736 1.00 21.12 H new ATOM 0 HA ALA A 18 13.336 -3.224 -6.640 1.00 44.45 H new ATOM 0 HB1 ALA A 18 14.291 -4.658 -4.865 1.00 41.34 H new ATOM 0 HB2 ALA A 18 13.994 -3.001 -4.288 1.00 41.34 H new ATOM 0 HB3 ALA A 18 12.879 -4.313 -3.838 1.00 41.34 H new ATOM 299 N LEU A 19 12.917 -5.952 -6.564 1.00 12.50 N ATOM 300 CA LEU A 19 12.462 -7.242 -7.071 1.00 43.25 C ATOM 301 C LEU A 19 11.667 -7.995 -6.010 1.00 14.04 C ATOM 302 O LEU A 19 10.870 -8.877 -6.325 1.00 55.24 O ATOM 303 CB LEU A 19 13.656 -8.085 -7.522 1.00 62.10 C ATOM 304 CG LEU A 19 14.333 -7.649 -8.823 1.00 75.02 C ATOM 305 CD1 LEU A 19 15.600 -8.455 -9.062 1.00 54.25 C ATOM 306 CD2 LEU A 19 13.375 -7.796 -9.996 1.00 43.13 C ATOM 0 H LEU A 19 13.913 -5.911 -6.349 1.00 12.50 H new ATOM 0 HA LEU A 19 11.810 -7.059 -7.925 1.00 43.25 H new ATOM 0 HB2 LEU A 19 14.402 -8.077 -6.727 1.00 62.10 H new ATOM 0 HB3 LEU A 19 13.324 -9.117 -7.637 1.00 62.10 H new ATOM 0 HG LEU A 19 14.608 -6.598 -8.733 1.00 75.02 H new ATOM 0 HD11 LEU A 19 16.068 -8.131 -9.992 1.00 54.25 H new ATOM 0 HD12 LEU A 19 16.292 -8.299 -8.234 1.00 54.25 H new ATOM 0 HD13 LEU A 19 15.350 -9.514 -9.131 1.00 54.25 H new ATOM 0 HD21 LEU A 19 13.872 -7.482 -10.914 1.00 43.13 H new ATOM 0 HD22 LEU A 19 13.069 -8.838 -10.088 1.00 43.13 H new ATOM 0 HD23 LEU A 19 12.496 -7.174 -9.828 1.00 43.13 H new ATOM 318 N GLY A 20 11.887 -7.637 -4.748 1.00 61.12 N ATOM 319 CA GLY A 20 11.182 -8.286 -3.659 1.00 13.12 C ATOM 320 C GLY A 20 12.036 -9.315 -2.946 1.00 61.41 C ATOM 321 O GLY A 20 11.784 -9.648 -1.788 1.00 51.44 O ATOM 0 H GLY A 20 12.541 -6.909 -4.461 1.00 61.12 H new ATOM 0 HA2 GLY A 20 10.853 -7.533 -2.943 1.00 13.12 H new ATOM 0 HA3 GLY A 20 10.285 -8.769 -4.048 1.00 13.12 H new ATOM 325 N ALA A 21 13.051 -9.822 -3.639 1.00 64.12 N ATOM 326 CA ALA A 21 13.947 -10.818 -3.065 1.00 33.12 C ATOM 327 C ALA A 21 15.133 -10.157 -2.374 1.00 23.31 C ATOM 328 O ALA A 21 15.743 -10.736 -1.474 1.00 71.03 O ATOM 329 CB ALA A 21 14.429 -11.778 -4.143 1.00 24.11 C ATOM 0 H ALA A 21 13.273 -9.559 -4.599 1.00 64.12 H new ATOM 0 HA ALA A 21 13.391 -11.381 -2.315 1.00 33.12 H new ATOM 0 HB1 ALA A 21 15.097 -12.516 -3.700 1.00 24.11 H new ATOM 0 HB2 ALA A 21 13.573 -12.284 -4.588 1.00 24.11 H new ATOM 0 HB3 ALA A 21 14.963 -11.222 -4.914 1.00 24.11 H new ATOM 335 N ASP A 22 15.457 -8.940 -2.799 1.00 1.11 N ATOM 336 CA ASP A 22 16.572 -8.200 -2.219 1.00 0.42 C ATOM 337 C ASP A 22 16.068 -7.074 -1.322 1.00 12.33 C ATOM 338 O ASP A 22 16.854 -6.285 -0.796 1.00 22.22 O ATOM 339 CB ASP A 22 17.461 -7.628 -3.325 1.00 15.51 C ATOM 340 CG ASP A 22 16.659 -7.108 -4.503 1.00 70.42 C ATOM 341 OD1 ASP A 22 15.606 -6.478 -4.272 1.00 74.53 O ATOM 342 OD2 ASP A 22 17.086 -7.333 -5.654 1.00 52.40 O ATOM 0 H ASP A 22 14.964 -8.446 -3.542 1.00 1.11 H new ATOM 0 HA ASP A 22 17.158 -8.890 -1.612 1.00 0.42 H new ATOM 0 HB2 ASP A 22 18.068 -6.820 -2.917 1.00 15.51 H new ATOM 0 HB3 ASP A 22 18.149 -8.400 -3.670 1.00 15.51 H new ATOM 347 N VAL A 23 14.751 -7.004 -1.150 1.00 41.15 N ATOM 348 CA VAL A 23 14.142 -5.975 -0.316 1.00 51.14 C ATOM 349 C VAL A 23 13.143 -6.582 0.663 1.00 21.22 C ATOM 350 O VAL A 23 12.360 -7.461 0.304 1.00 44.30 O ATOM 351 CB VAL A 23 13.426 -4.912 -1.170 1.00 10.14 C ATOM 352 CG1 VAL A 23 12.408 -5.564 -2.092 1.00 51.52 C ATOM 353 CG2 VAL A 23 12.762 -3.874 -0.279 1.00 3.24 C ATOM 0 H VAL A 23 14.086 -7.648 -1.578 1.00 41.15 H new ATOM 0 HA VAL A 23 14.949 -5.499 0.241 1.00 51.14 H new ATOM 0 HB VAL A 23 14.168 -4.407 -1.788 1.00 10.14 H new ATOM 0 HG11 VAL A 23 11.912 -4.797 -2.687 1.00 51.52 H new ATOM 0 HG12 VAL A 23 12.914 -6.266 -2.754 1.00 51.52 H new ATOM 0 HG13 VAL A 23 11.666 -6.097 -1.497 1.00 51.52 H new ATOM 0 HG21 VAL A 23 12.261 -3.130 -0.898 1.00 3.24 H new ATOM 0 HG22 VAL A 23 12.031 -4.362 0.366 1.00 3.24 H new ATOM 0 HG23 VAL A 23 13.518 -3.385 0.335 1.00 3.24 H new ATOM 363 N VAL A 24 13.176 -6.107 1.904 1.00 23.03 N ATOM 364 CA VAL A 24 12.273 -6.600 2.936 1.00 74.03 C ATOM 365 C VAL A 24 11.338 -5.498 3.422 1.00 20.20 C ATOM 366 O VAL A 24 11.781 -4.501 3.993 1.00 10.22 O ATOM 367 CB VAL A 24 13.051 -7.166 4.139 1.00 74.22 C ATOM 368 CG1 VAL A 24 12.092 -7.671 5.206 1.00 13.23 C ATOM 369 CG2 VAL A 24 13.991 -8.275 3.690 1.00 24.34 C ATOM 0 H VAL A 24 13.819 -5.381 2.219 1.00 23.03 H new ATOM 0 HA VAL A 24 11.684 -7.399 2.485 1.00 74.03 H new ATOM 0 HB VAL A 24 13.650 -6.364 4.572 1.00 74.22 H new ATOM 0 HG11 VAL A 24 12.660 -8.067 6.048 1.00 13.23 H new ATOM 0 HG12 VAL A 24 11.462 -6.849 5.548 1.00 13.23 H new ATOM 0 HG13 VAL A 24 11.465 -8.459 4.788 1.00 13.23 H new ATOM 0 HG21 VAL A 24 14.533 -8.664 4.552 1.00 24.34 H new ATOM 0 HG22 VAL A 24 13.414 -9.078 3.232 1.00 24.34 H new ATOM 0 HG23 VAL A 24 14.701 -7.879 2.964 1.00 24.34 H new ATOM 379 N VAL A 25 10.042 -5.685 3.194 1.00 3.40 N ATOM 380 CA VAL A 25 9.044 -4.707 3.609 1.00 24.24 C ATOM 381 C VAL A 25 8.150 -5.268 4.710 1.00 70.43 C ATOM 382 O VAL A 25 7.795 -6.447 4.697 1.00 44.11 O ATOM 383 CB VAL A 25 8.165 -4.264 2.425 1.00 12.13 C ATOM 384 CG1 VAL A 25 7.308 -5.421 1.934 1.00 50.35 C ATOM 385 CG2 VAL A 25 7.298 -3.078 2.820 1.00 42.40 C ATOM 0 H VAL A 25 9.659 -6.505 2.724 1.00 3.40 H new ATOM 0 HA VAL A 25 9.588 -3.843 3.991 1.00 24.24 H new ATOM 0 HB VAL A 25 8.816 -3.953 1.608 1.00 12.13 H new ATOM 0 HG11 VAL A 25 6.694 -5.089 1.097 1.00 50.35 H new ATOM 0 HG12 VAL A 25 7.952 -6.239 1.610 1.00 50.35 H new ATOM 0 HG13 VAL A 25 6.664 -5.765 2.743 1.00 50.35 H new ATOM 0 HG21 VAL A 25 6.683 -2.778 1.971 1.00 42.40 H new ATOM 0 HG22 VAL A 25 6.654 -3.360 3.653 1.00 42.40 H new ATOM 0 HG23 VAL A 25 7.935 -2.245 3.119 1.00 42.40 H new ATOM 395 N THR A 26 7.789 -4.415 5.663 1.00 20.13 N ATOM 396 CA THR A 26 6.937 -4.826 6.772 1.00 31.14 C ATOM 397 C THR A 26 5.882 -3.767 7.076 1.00 62.32 C ATOM 398 O THR A 26 5.950 -2.647 6.570 1.00 74.31 O ATOM 399 CB THR A 26 7.762 -5.091 8.046 1.00 30.12 C ATOM 400 OG1 THR A 26 8.934 -4.269 8.052 1.00 4.53 O ATOM 401 CG2 THR A 26 8.164 -6.555 8.134 1.00 70.24 C ATOM 0 H THR A 26 8.073 -3.436 5.689 1.00 20.13 H new ATOM 0 HA THR A 26 6.445 -5.750 6.467 1.00 31.14 H new ATOM 0 HB THR A 26 7.144 -4.847 8.910 1.00 30.12 H new ATOM 0 HG1 THR A 26 8.742 -3.422 7.598 1.00 4.53 H new ATOM 0 HG21 THR A 26 8.746 -6.719 9.041 1.00 70.24 H new ATOM 0 HG22 THR A 26 7.269 -7.177 8.159 1.00 70.24 H new ATOM 0 HG23 THR A 26 8.766 -6.820 7.265 1.00 70.24 H new ATOM 409 N ALA A 27 4.908 -4.130 7.904 1.00 62.55 N ATOM 410 CA ALA A 27 3.840 -3.211 8.277 1.00 44.14 C ATOM 411 C ALA A 27 4.397 -1.982 8.987 1.00 31.51 C ATOM 412 O ALA A 27 3.782 -0.915 8.976 1.00 24.41 O ATOM 413 CB ALA A 27 2.819 -3.916 9.157 1.00 21.51 C ATOM 0 H ALA A 27 4.837 -5.054 8.329 1.00 62.55 H new ATOM 0 HA ALA A 27 3.346 -2.878 7.364 1.00 44.14 H new ATOM 0 HB1 ALA A 27 2.028 -3.217 9.428 1.00 21.51 H new ATOM 0 HB2 ALA A 27 2.390 -4.758 8.614 1.00 21.51 H new ATOM 0 HB3 ALA A 27 3.307 -4.279 10.061 1.00 21.51 H new ATOM 419 N ASP A 28 5.561 -2.140 9.607 1.00 63.01 N ATOM 420 CA ASP A 28 6.201 -1.042 10.324 1.00 63.24 C ATOM 421 C ASP A 28 7.055 -0.202 9.380 1.00 41.13 C ATOM 422 O ASP A 28 7.377 0.949 9.676 1.00 54.02 O ATOM 423 CB ASP A 28 7.063 -1.585 11.465 1.00 12.01 C ATOM 424 CG ASP A 28 7.391 -0.524 12.497 1.00 21.00 C ATOM 425 OD1 ASP A 28 8.379 0.214 12.297 1.00 51.44 O ATOM 426 OD2 ASP A 28 6.660 -0.431 13.506 1.00 54.12 O ATOM 0 H ASP A 28 6.081 -3.017 9.628 1.00 63.01 H new ATOM 0 HA ASP A 28 5.419 -0.407 10.740 1.00 63.24 H new ATOM 0 HB2 ASP A 28 6.541 -2.410 11.950 1.00 12.01 H new ATOM 0 HB3 ASP A 28 7.989 -1.989 11.056 1.00 12.01 H new ATOM 431 N SER A 29 7.420 -0.785 8.242 1.00 12.11 N ATOM 432 CA SER A 29 8.241 -0.091 7.257 1.00 41.31 C ATOM 433 C SER A 29 7.506 1.122 6.693 1.00 75.22 C ATOM 434 O SER A 29 6.316 1.051 6.386 1.00 14.20 O ATOM 435 CB SER A 29 8.625 -1.042 6.121 1.00 30.22 C ATOM 436 OG SER A 29 9.416 -2.115 6.600 1.00 71.53 O ATOM 0 H SER A 29 7.160 -1.736 7.980 1.00 12.11 H new ATOM 0 HA SER A 29 9.147 0.254 7.755 1.00 41.31 H new ATOM 0 HB2 SER A 29 7.723 -1.433 5.649 1.00 30.22 H new ATOM 0 HB3 SER A 29 9.174 -0.495 5.355 1.00 30.22 H new ATOM 0 HG SER A 29 9.905 -2.519 5.853 1.00 71.53 H new ATOM 442 N GLU A 30 8.223 2.233 6.560 1.00 32.32 N ATOM 443 CA GLU A 30 7.638 3.461 6.036 1.00 42.04 C ATOM 444 C GLU A 30 8.005 3.653 4.567 1.00 42.22 C ATOM 445 O GLU A 30 9.160 3.481 4.176 1.00 63.10 O ATOM 446 CB GLU A 30 8.109 4.666 6.852 1.00 44.33 C ATOM 447 CG GLU A 30 7.836 4.537 8.341 1.00 15.41 C ATOM 448 CD GLU A 30 8.722 5.439 9.177 1.00 12.24 C ATOM 449 OE1 GLU A 30 9.307 6.386 8.610 1.00 21.15 O ATOM 450 OE2 GLU A 30 8.832 5.199 10.397 1.00 13.21 O ATOM 0 H GLU A 30 9.210 2.308 6.808 1.00 32.32 H new ATOM 0 HA GLU A 30 6.554 3.380 6.115 1.00 42.04 H new ATOM 0 HB2 GLU A 30 9.179 4.802 6.698 1.00 44.33 H new ATOM 0 HB3 GLU A 30 7.616 5.563 6.477 1.00 44.33 H new ATOM 0 HG2 GLU A 30 6.791 4.778 8.537 1.00 15.41 H new ATOM 0 HG3 GLU A 30 7.987 3.502 8.646 1.00 15.41 H new ATOM 457 N PHE A 31 7.013 4.008 3.757 1.00 4.02 N ATOM 458 CA PHE A 31 7.230 4.222 2.331 1.00 3.31 C ATOM 459 C PHE A 31 8.388 5.188 2.095 1.00 74.51 C ATOM 460 O PHE A 31 9.086 5.103 1.085 1.00 72.02 O ATOM 461 CB PHE A 31 5.958 4.765 1.676 1.00 11.41 C ATOM 462 CG PHE A 31 4.813 3.793 1.694 1.00 42.15 C ATOM 463 CD1 PHE A 31 4.823 2.675 0.873 1.00 3.44 C ATOM 464 CD2 PHE A 31 3.728 3.996 2.530 1.00 54.42 C ATOM 465 CE1 PHE A 31 3.771 1.779 0.887 1.00 44.21 C ATOM 466 CE2 PHE A 31 2.673 3.101 2.548 1.00 0.35 C ATOM 467 CZ PHE A 31 2.694 1.993 1.725 1.00 63.00 C ATOM 0 H PHE A 31 6.051 4.154 4.064 1.00 4.02 H new ATOM 0 HA PHE A 31 7.483 3.262 1.880 1.00 3.31 H new ATOM 0 HB2 PHE A 31 5.657 5.679 2.188 1.00 11.41 H new ATOM 0 HB3 PHE A 31 6.178 5.036 0.643 1.00 11.41 H new ATOM 0 HD1 PHE A 31 5.662 2.503 0.215 1.00 3.44 H new ATOM 0 HD2 PHE A 31 3.705 4.862 3.175 1.00 54.42 H new ATOM 0 HE1 PHE A 31 3.791 0.912 0.243 1.00 44.21 H new ATOM 0 HE2 PHE A 31 1.833 3.269 3.206 1.00 0.35 H new ATOM 0 HZ PHE A 31 1.870 1.295 1.736 1.00 63.00 H new ATOM 477 N SER A 32 8.585 6.106 3.035 1.00 20.54 N ATOM 478 CA SER A 32 9.655 7.091 2.930 1.00 50.03 C ATOM 479 C SER A 32 11.009 6.457 3.234 1.00 21.24 C ATOM 480 O SER A 32 12.013 6.768 2.593 1.00 44.32 O ATOM 481 CB SER A 32 9.399 8.258 3.884 1.00 4.13 C ATOM 482 OG SER A 32 8.600 9.255 3.269 1.00 4.02 O ATOM 0 H SER A 32 8.017 6.188 3.878 1.00 20.54 H new ATOM 0 HA SER A 32 9.671 7.466 1.907 1.00 50.03 H new ATOM 0 HB2 SER A 32 8.903 7.894 4.784 1.00 4.13 H new ATOM 0 HB3 SER A 32 10.349 8.691 4.197 1.00 4.13 H new ATOM 0 HG SER A 32 8.450 9.989 3.900 1.00 4.02 H new ATOM 488 N LYS A 33 11.029 5.567 4.221 1.00 51.44 N ATOM 489 CA LYS A 33 12.258 4.886 4.612 1.00 52.03 C ATOM 490 C LYS A 33 12.636 3.817 3.593 1.00 64.51 C ATOM 491 O LYS A 33 13.819 3.568 3.348 1.00 11.44 O ATOM 492 CB LYS A 33 12.095 4.252 5.996 1.00 43.41 C ATOM 493 CG LYS A 33 12.421 5.196 7.139 1.00 14.34 C ATOM 494 CD LYS A 33 12.680 4.439 8.431 1.00 55.22 C ATOM 495 CE LYS A 33 12.749 5.378 9.625 1.00 2.41 C ATOM 496 NZ LYS A 33 14.133 5.878 9.858 1.00 53.14 N ATOM 0 H LYS A 33 10.208 5.301 4.765 1.00 51.44 H new ATOM 0 HA LYS A 33 13.058 5.626 4.649 1.00 52.03 H new ATOM 0 HB2 LYS A 33 11.069 3.901 6.107 1.00 43.41 H new ATOM 0 HB3 LYS A 33 12.741 3.376 6.064 1.00 43.41 H new ATOM 0 HG2 LYS A 33 13.298 5.790 6.882 1.00 14.34 H new ATOM 0 HG3 LYS A 33 11.595 5.893 7.284 1.00 14.34 H new ATOM 0 HD2 LYS A 33 11.889 3.706 8.589 1.00 55.22 H new ATOM 0 HD3 LYS A 33 13.615 3.886 8.348 1.00 55.22 H new ATOM 0 HE2 LYS A 33 12.080 6.223 9.462 1.00 2.41 H new ATOM 0 HE3 LYS A 33 12.395 4.859 10.516 1.00 2.41 H new ATOM 0 HZ1 LYS A 33 14.138 6.515 10.680 1.00 53.14 H new ATOM 0 HZ2 LYS A 33 14.767 5.074 10.039 1.00 53.14 H new ATOM 0 HZ3 LYS A 33 14.461 6.395 9.018 1.00 53.14 H new ATOM 510 N LEU A 34 11.629 3.188 2.999 1.00 54.40 N ATOM 511 CA LEU A 34 11.856 2.145 2.004 1.00 3.04 C ATOM 512 C LEU A 34 12.483 2.727 0.741 1.00 45.53 C ATOM 513 O LEU A 34 13.100 2.010 -0.046 1.00 71.40 O ATOM 514 CB LEU A 34 10.540 1.446 1.659 1.00 24.21 C ATOM 515 CG LEU A 34 9.883 0.656 2.791 1.00 21.15 C ATOM 516 CD1 LEU A 34 8.538 0.105 2.346 1.00 14.03 C ATOM 517 CD2 LEU A 34 10.796 -0.469 3.255 1.00 73.13 C ATOM 0 H LEU A 34 10.646 3.382 3.189 1.00 54.40 H new ATOM 0 HA LEU A 34 12.546 1.416 2.428 1.00 3.04 H new ATOM 0 HB2 LEU A 34 9.833 2.198 1.310 1.00 24.21 H new ATOM 0 HB3 LEU A 34 10.720 0.767 0.826 1.00 24.21 H new ATOM 0 HG LEU A 34 9.716 1.331 3.631 1.00 21.15 H new ATOM 0 HD11 LEU A 34 8.085 -0.454 3.165 1.00 14.03 H new ATOM 0 HD12 LEU A 34 7.883 0.929 2.063 1.00 14.03 H new ATOM 0 HD13 LEU A 34 8.680 -0.555 1.490 1.00 14.03 H new ATOM 0 HD21 LEU A 34 10.313 -1.021 4.061 1.00 73.13 H new ATOM 0 HD22 LEU A 34 10.995 -1.143 2.422 1.00 73.13 H new ATOM 0 HD23 LEU A 34 11.736 -0.050 3.615 1.00 73.13 H new ATOM 529 N GLY A 35 12.321 4.034 0.552 1.00 33.51 N ATOM 530 CA GLY A 35 12.878 4.689 -0.616 1.00 1.03 C ATOM 531 C GLY A 35 11.808 5.224 -1.547 1.00 34.41 C ATOM 532 O GLY A 35 12.081 6.072 -2.395 1.00 75.41 O ATOM 0 H GLY A 35 11.814 4.650 1.188 1.00 33.51 H new ATOM 0 HA2 GLY A 35 13.521 5.510 -0.297 1.00 1.03 H new ATOM 0 HA3 GLY A 35 13.508 3.984 -1.158 1.00 1.03 H new ATOM 536 N ALA A 36 10.586 4.725 -1.388 1.00 51.41 N ATOM 537 CA ALA A 36 9.471 5.158 -2.221 1.00 51.44 C ATOM 538 C ALA A 36 9.295 6.672 -2.159 1.00 63.25 C ATOM 539 O ALA A 36 8.888 7.217 -1.135 1.00 35.23 O ATOM 540 CB ALA A 36 8.190 4.458 -1.792 1.00 52.54 C ATOM 0 H ALA A 36 10.344 4.021 -0.691 1.00 51.41 H new ATOM 0 HA ALA A 36 9.693 4.886 -3.253 1.00 51.44 H new ATOM 0 HB1 ALA A 36 7.365 4.790 -2.422 1.00 52.54 H new ATOM 0 HB2 ALA A 36 8.313 3.380 -1.894 1.00 52.54 H new ATOM 0 HB3 ALA A 36 7.973 4.702 -0.752 1.00 52.54 H new ATOM 546 N ASP A 37 9.604 7.343 -3.263 1.00 24.13 N ATOM 547 CA ASP A 37 9.481 8.794 -3.335 1.00 15.43 C ATOM 548 C ASP A 37 8.047 9.201 -3.665 1.00 32.34 C ATOM 549 O ASP A 37 7.143 8.366 -3.685 1.00 71.51 O ATOM 550 CB ASP A 37 10.438 9.359 -4.385 1.00 72.13 C ATOM 551 CG ASP A 37 11.752 8.604 -4.435 1.00 61.11 C ATOM 552 OD1 ASP A 37 12.492 8.635 -3.430 1.00 30.31 O ATOM 553 OD2 ASP A 37 12.041 7.983 -5.480 1.00 61.11 O ATOM 0 H ASP A 37 9.941 6.905 -4.120 1.00 24.13 H new ATOM 0 HA ASP A 37 9.743 9.204 -2.360 1.00 15.43 H new ATOM 0 HB2 ASP A 37 9.962 9.320 -5.365 1.00 72.13 H new ATOM 0 HB3 ASP A 37 10.633 10.409 -4.167 1.00 72.13 H new ATOM 558 N SER A 38 7.848 10.491 -3.920 1.00 72.12 N ATOM 559 CA SER A 38 6.524 11.010 -4.244 1.00 35.51 C ATOM 560 C SER A 38 6.003 10.398 -5.541 1.00 3.34 C ATOM 561 O SER A 38 4.806 10.148 -5.687 1.00 72.32 O ATOM 562 CB SER A 38 6.567 12.534 -4.364 1.00 10.52 C ATOM 563 OG SER A 38 5.277 13.095 -4.189 1.00 34.23 O ATOM 0 H SER A 38 8.586 11.195 -3.908 1.00 72.12 H new ATOM 0 HA SER A 38 5.845 10.736 -3.437 1.00 35.51 H new ATOM 0 HB2 SER A 38 7.249 12.942 -3.618 1.00 10.52 H new ATOM 0 HB3 SER A 38 6.960 12.814 -5.341 1.00 10.52 H new ATOM 0 HG SER A 38 5.331 14.070 -4.269 1.00 34.23 H new ATOM 569 N LEU A 39 6.911 10.163 -6.482 1.00 54.23 N ATOM 570 CA LEU A 39 6.545 9.582 -7.769 1.00 14.13 C ATOM 571 C LEU A 39 6.245 8.093 -7.629 1.00 21.40 C ATOM 572 O LEU A 39 5.498 7.522 -8.423 1.00 40.51 O ATOM 573 CB LEU A 39 7.669 9.794 -8.784 1.00 4.20 C ATOM 574 CG LEU A 39 8.118 11.240 -8.996 1.00 64.23 C ATOM 575 CD1 LEU A 39 9.278 11.300 -9.979 1.00 23.21 C ATOM 576 CD2 LEU A 39 6.958 12.093 -9.486 1.00 73.15 C ATOM 0 H LEU A 39 7.905 10.366 -6.378 1.00 54.23 H new ATOM 0 HA LEU A 39 5.644 10.083 -8.123 1.00 14.13 H new ATOM 0 HB2 LEU A 39 8.533 9.209 -8.467 1.00 4.20 H new ATOM 0 HB3 LEU A 39 7.346 9.391 -9.744 1.00 4.20 H new ATOM 0 HG LEU A 39 8.457 11.638 -8.040 1.00 64.23 H new ATOM 0 HD11 LEU A 39 9.584 12.337 -10.118 1.00 23.21 H new ATOM 0 HD12 LEU A 39 10.116 10.723 -9.588 1.00 23.21 H new ATOM 0 HD13 LEU A 39 8.966 10.883 -10.936 1.00 23.21 H new ATOM 0 HD21 LEU A 39 7.297 13.119 -9.631 1.00 73.15 H new ATOM 0 HD22 LEU A 39 6.588 11.696 -10.431 1.00 73.15 H new ATOM 0 HD23 LEU A 39 6.157 12.077 -8.747 1.00 73.15 H new ATOM 588 N ASP A 40 6.830 7.470 -6.612 1.00 23.13 N ATOM 589 CA ASP A 40 6.624 6.048 -6.365 1.00 42.10 C ATOM 590 C ASP A 40 5.315 5.811 -5.617 1.00 20.32 C ATOM 591 O ASP A 40 4.479 5.014 -6.042 1.00 44.53 O ATOM 592 CB ASP A 40 7.794 5.472 -5.567 1.00 72.41 C ATOM 593 CG ASP A 40 8.981 5.128 -6.444 1.00 43.51 C ATOM 594 OD1 ASP A 40 8.765 4.795 -7.629 1.00 23.41 O ATOM 595 OD2 ASP A 40 10.125 5.192 -5.948 1.00 51.21 O ATOM 0 H ASP A 40 7.451 7.928 -5.945 1.00 23.13 H new ATOM 0 HA ASP A 40 6.568 5.541 -7.328 1.00 42.10 H new ATOM 0 HB2 ASP A 40 8.103 6.192 -4.810 1.00 72.41 H new ATOM 0 HB3 ASP A 40 7.464 4.577 -5.040 1.00 72.41 H new ATOM 600 N THR A 41 5.145 6.508 -4.497 1.00 63.31 N ATOM 601 CA THR A 41 3.941 6.372 -3.687 1.00 4.20 C ATOM 602 C THR A 41 2.687 6.455 -4.550 1.00 4.14 C ATOM 603 O THR A 41 1.818 5.586 -4.485 1.00 12.20 O ATOM 604 CB THR A 41 3.872 7.457 -2.597 1.00 12.25 C ATOM 605 OG1 THR A 41 5.080 7.456 -1.828 1.00 35.23 O ATOM 606 CG2 THR A 41 2.681 7.227 -1.679 1.00 34.21 C ATOM 0 H THR A 41 5.827 7.173 -4.131 1.00 63.31 H new ATOM 0 HA THR A 41 3.988 5.392 -3.211 1.00 4.20 H new ATOM 0 HB THR A 41 3.753 8.424 -3.085 1.00 12.25 H new ATOM 0 HG1 THR A 41 5.791 7.899 -2.336 1.00 35.23 H new ATOM 0 HG21 THR A 41 2.653 8.006 -0.917 1.00 34.21 H new ATOM 0 HG22 THR A 41 1.761 7.257 -2.262 1.00 34.21 H new ATOM 0 HG23 THR A 41 2.775 6.253 -1.199 1.00 34.21 H new ATOM 614 N VAL A 42 2.599 7.506 -5.360 1.00 51.21 N ATOM 615 CA VAL A 42 1.452 7.701 -6.238 1.00 34.33 C ATOM 616 C VAL A 42 1.183 6.456 -7.076 1.00 54.31 C ATOM 617 O VAL A 42 0.032 6.126 -7.361 1.00 63.44 O ATOM 618 CB VAL A 42 1.662 8.903 -7.177 1.00 32.21 C ATOM 619 CG1 VAL A 42 2.920 8.716 -8.011 1.00 24.13 C ATOM 620 CG2 VAL A 42 0.446 9.100 -8.070 1.00 34.04 C ATOM 0 H VAL A 42 3.309 8.235 -5.426 1.00 51.21 H new ATOM 0 HA VAL A 42 0.592 7.896 -5.597 1.00 34.33 H new ATOM 0 HB VAL A 42 1.788 9.799 -6.569 1.00 32.21 H new ATOM 0 HG11 VAL A 42 3.052 9.575 -8.668 1.00 24.13 H new ATOM 0 HG12 VAL A 42 3.784 8.627 -7.352 1.00 24.13 H new ATOM 0 HG13 VAL A 42 2.827 7.811 -8.611 1.00 24.13 H new ATOM 0 HG21 VAL A 42 0.612 9.954 -8.727 1.00 34.04 H new ATOM 0 HG22 VAL A 42 0.287 8.205 -8.671 1.00 34.04 H new ATOM 0 HG23 VAL A 42 -0.433 9.283 -7.452 1.00 34.04 H new ATOM 630 N GLU A 43 2.252 5.769 -7.466 1.00 12.44 N ATOM 631 CA GLU A 43 2.130 4.561 -8.272 1.00 65.23 C ATOM 632 C GLU A 43 1.638 3.389 -7.426 1.00 5.54 C ATOM 633 O GLU A 43 0.964 2.489 -7.927 1.00 63.53 O ATOM 634 CB GLU A 43 3.475 4.211 -8.913 1.00 21.50 C ATOM 635 CG GLU A 43 3.532 4.499 -10.404 1.00 32.54 C ATOM 636 CD GLU A 43 4.540 5.577 -10.751 1.00 63.10 C ATOM 637 OE1 GLU A 43 5.663 5.536 -10.206 1.00 1.31 O ATOM 638 OE2 GLU A 43 4.208 6.460 -11.569 1.00 11.43 O ATOM 0 H GLU A 43 3.211 6.028 -7.237 1.00 12.44 H new ATOM 0 HA GLU A 43 1.399 4.752 -9.058 1.00 65.23 H new ATOM 0 HB2 GLU A 43 4.264 4.773 -8.413 1.00 21.50 H new ATOM 0 HB3 GLU A 43 3.683 3.154 -8.747 1.00 21.50 H new ATOM 0 HG2 GLU A 43 3.786 3.583 -10.938 1.00 32.54 H new ATOM 0 HG3 GLU A 43 2.545 4.805 -10.749 1.00 32.54 H new ATOM 645 N ILE A 44 1.979 3.411 -6.142 1.00 63.30 N ATOM 646 CA ILE A 44 1.572 2.352 -5.226 1.00 3.03 C ATOM 647 C ILE A 44 0.052 2.256 -5.139 1.00 70.32 C ATOM 648 O ILE A 44 -0.506 1.162 -5.050 1.00 72.01 O ATOM 649 CB ILE A 44 2.142 2.579 -3.814 1.00 12.04 C ATOM 650 CG1 ILE A 44 3.658 2.775 -3.878 1.00 4.01 C ATOM 651 CG2 ILE A 44 1.791 1.410 -2.906 1.00 64.05 C ATOM 652 CD1 ILE A 44 4.366 1.744 -4.729 1.00 71.02 C ATOM 0 H ILE A 44 2.536 4.150 -5.712 1.00 63.30 H new ATOM 0 HA ILE A 44 1.971 1.419 -5.624 1.00 3.03 H new ATOM 0 HB ILE A 44 1.695 3.482 -3.399 1.00 12.04 H new ATOM 0 HG12 ILE A 44 3.871 3.768 -4.273 1.00 4.01 H new ATOM 0 HG13 ILE A 44 4.064 2.740 -2.867 1.00 4.01 H new ATOM 0 HG21 ILE A 44 2.201 1.586 -1.912 1.00 64.05 H new ATOM 0 HG22 ILE A 44 0.707 1.313 -2.840 1.00 64.05 H new ATOM 0 HG23 ILE A 44 2.213 0.492 -3.315 1.00 64.05 H new ATOM 0 HD11 ILE A 44 5.437 1.945 -4.728 1.00 71.02 H new ATOM 0 HD12 ILE A 44 4.183 0.749 -4.323 1.00 71.02 H new ATOM 0 HD13 ILE A 44 3.988 1.794 -5.750 1.00 71.02 H new ATOM 664 N VAL A 45 -0.611 3.406 -5.168 1.00 45.22 N ATOM 665 CA VAL A 45 -2.067 3.452 -5.096 1.00 61.20 C ATOM 666 C VAL A 45 -2.697 2.996 -6.407 1.00 1.24 C ATOM 667 O VAL A 45 -3.764 2.385 -6.414 1.00 52.42 O ATOM 668 CB VAL A 45 -2.568 4.870 -4.764 1.00 33.44 C ATOM 669 CG1 VAL A 45 -4.068 4.860 -4.511 1.00 13.34 C ATOM 670 CG2 VAL A 45 -1.821 5.431 -3.563 1.00 51.43 C ATOM 0 H VAL A 45 -0.164 4.320 -5.241 1.00 45.22 H new ATOM 0 HA VAL A 45 -2.366 2.773 -4.297 1.00 61.20 H new ATOM 0 HB VAL A 45 -2.372 5.516 -5.620 1.00 33.44 H new ATOM 0 HG11 VAL A 45 -4.404 5.870 -4.278 1.00 13.34 H new ATOM 0 HG12 VAL A 45 -4.585 4.502 -5.401 1.00 13.34 H new ATOM 0 HG13 VAL A 45 -4.291 4.201 -3.672 1.00 13.34 H new ATOM 0 HG21 VAL A 45 -2.188 6.434 -3.342 1.00 51.43 H new ATOM 0 HG22 VAL A 45 -1.985 4.787 -2.699 1.00 51.43 H new ATOM 0 HG23 VAL A 45 -0.755 5.475 -3.786 1.00 51.43 H new ATOM 680 N MET A 46 -2.027 3.298 -7.515 1.00 55.34 N ATOM 681 CA MET A 46 -2.522 2.917 -8.833 1.00 22.21 C ATOM 682 C MET A 46 -2.532 1.400 -8.993 1.00 20.14 C ATOM 683 O MET A 46 -3.537 0.815 -9.396 1.00 4.15 O ATOM 684 CB MET A 46 -1.659 3.550 -9.927 1.00 11.52 C ATOM 685 CG MET A 46 -2.411 3.799 -11.225 1.00 32.41 C ATOM 686 SD MET A 46 -1.397 4.622 -12.467 1.00 5.42 S ATOM 687 CE MET A 46 -0.910 6.101 -11.580 1.00 43.53 C ATOM 0 H MET A 46 -1.142 3.804 -7.526 1.00 55.34 H new ATOM 0 HA MET A 46 -3.545 3.282 -8.929 1.00 22.21 H new ATOM 0 HB2 MET A 46 -1.259 4.496 -9.561 1.00 11.52 H new ATOM 0 HB3 MET A 46 -0.808 2.900 -10.129 1.00 11.52 H new ATOM 0 HG2 MET A 46 -2.766 2.848 -11.623 1.00 32.41 H new ATOM 0 HG3 MET A 46 -3.292 4.407 -11.019 1.00 32.41 H new ATOM 0 HE1 MET A 46 -0.627 6.876 -12.292 1.00 43.53 H new ATOM 0 HE2 MET A 46 -1.745 6.453 -10.974 1.00 43.53 H new ATOM 0 HE3 MET A 46 -0.062 5.875 -10.934 1.00 43.53 H new ATOM 697 N ASN A 47 -1.407 0.768 -8.674 1.00 51.15 N ATOM 698 CA ASN A 47 -1.286 -0.681 -8.783 1.00 14.20 C ATOM 699 C ASN A 47 -2.271 -1.380 -7.851 1.00 35.20 C ATOM 700 O ASN A 47 -2.908 -2.365 -8.227 1.00 61.11 O ATOM 701 CB ASN A 47 0.142 -1.121 -8.457 1.00 53.33 C ATOM 702 CG ASN A 47 1.034 -1.141 -9.682 1.00 45.41 C ATOM 703 OD1 ASN A 47 1.720 -2.128 -9.950 1.00 55.44 O ATOM 704 ND2 ASN A 47 1.030 -0.046 -10.435 1.00 24.24 N ATOM 0 H ASN A 47 -0.566 1.237 -8.338 1.00 51.15 H new ATOM 0 HA ASN A 47 -1.520 -0.964 -9.809 1.00 14.20 H new ATOM 0 HB2 ASN A 47 0.566 -0.447 -7.713 1.00 53.33 H new ATOM 0 HB3 ASN A 47 0.120 -2.115 -8.011 1.00 53.33 H new ATOM 0 HD21 ASN A 47 1.611 -0.001 -11.272 1.00 24.24 H new ATOM 0 HD22 ASN A 47 0.446 0.749 -10.176 1.00 24.24 H new ATOM 711 N LEU A 48 -2.393 -0.864 -6.633 1.00 24.32 N ATOM 712 CA LEU A 48 -3.300 -1.437 -5.644 1.00 44.54 C ATOM 713 C LEU A 48 -4.752 -1.285 -6.087 1.00 11.11 C ATOM 714 O LEU A 48 -5.524 -2.243 -6.054 1.00 14.21 O ATOM 715 CB LEU A 48 -3.096 -0.766 -4.286 1.00 55.02 C ATOM 716 CG LEU A 48 -1.769 -1.058 -3.585 1.00 42.31 C ATOM 717 CD1 LEU A 48 -1.498 -0.025 -2.503 1.00 21.33 C ATOM 718 CD2 LEU A 48 -1.773 -2.461 -2.998 1.00 21.43 C ATOM 0 H LEU A 48 -1.875 -0.049 -6.306 1.00 24.32 H new ATOM 0 HA LEU A 48 -3.076 -2.500 -5.553 1.00 44.54 H new ATOM 0 HB2 LEU A 48 -3.184 0.312 -4.419 1.00 55.02 H new ATOM 0 HB3 LEU A 48 -3.908 -1.073 -3.626 1.00 55.02 H new ATOM 0 HG LEU A 48 -0.969 -0.998 -4.323 1.00 42.31 H new ATOM 0 HD11 LEU A 48 -0.549 -0.249 -2.015 1.00 21.33 H new ATOM 0 HD12 LEU A 48 -1.450 0.967 -2.951 1.00 21.33 H new ATOM 0 HD13 LEU A 48 -2.300 -0.051 -1.766 1.00 21.33 H new ATOM 0 HD21 LEU A 48 -0.821 -2.651 -2.503 1.00 21.43 H new ATOM 0 HD22 LEU A 48 -2.583 -2.550 -2.274 1.00 21.43 H new ATOM 0 HD23 LEU A 48 -1.919 -3.189 -3.796 1.00 21.43 H new ATOM 730 N GLU A 49 -5.116 -0.076 -6.503 1.00 24.02 N ATOM 731 CA GLU A 49 -6.475 0.199 -6.953 1.00 2.42 C ATOM 732 C GLU A 49 -6.884 -0.760 -8.067 1.00 31.32 C ATOM 733 O GLU A 49 -8.027 -1.213 -8.120 1.00 11.41 O ATOM 734 CB GLU A 49 -6.591 1.645 -7.443 1.00 24.54 C ATOM 735 CG GLU A 49 -6.664 2.664 -6.318 1.00 54.41 C ATOM 736 CD GLU A 49 -6.440 4.084 -6.801 1.00 74.33 C ATOM 737 OE1 GLU A 49 -5.299 4.401 -7.200 1.00 52.12 O ATOM 738 OE2 GLU A 49 -7.404 4.877 -6.780 1.00 21.13 O ATOM 0 H GLU A 49 -4.489 0.728 -6.538 1.00 24.02 H new ATOM 0 HA GLU A 49 -7.147 0.054 -6.107 1.00 2.42 H new ATOM 0 HB2 GLU A 49 -5.734 1.875 -8.076 1.00 24.54 H new ATOM 0 HB3 GLU A 49 -7.481 1.739 -8.065 1.00 24.54 H new ATOM 0 HG2 GLU A 49 -7.639 2.598 -5.836 1.00 54.41 H new ATOM 0 HG3 GLU A 49 -5.918 2.419 -5.562 1.00 54.41 H new ATOM 745 N GLU A 50 -5.942 -1.064 -8.954 1.00 33.12 N ATOM 746 CA GLU A 50 -6.206 -1.969 -10.067 1.00 4.43 C ATOM 747 C GLU A 50 -6.265 -3.417 -9.590 1.00 22.52 C ATOM 748 O GLU A 50 -6.943 -4.252 -10.188 1.00 3.35 O ATOM 749 CB GLU A 50 -5.127 -1.818 -11.142 1.00 41.04 C ATOM 750 CG GLU A 50 -5.580 -2.258 -12.524 1.00 21.41 C ATOM 751 CD GLU A 50 -4.733 -1.662 -13.632 1.00 21.42 C ATOM 752 OE1 GLU A 50 -3.492 -1.646 -13.487 1.00 3.12 O ATOM 753 OE2 GLU A 50 -5.310 -1.213 -14.644 1.00 50.02 O ATOM 0 H GLU A 50 -4.991 -0.698 -8.924 1.00 33.12 H new ATOM 0 HA GLU A 50 -7.174 -1.706 -10.494 1.00 4.43 H new ATOM 0 HB2 GLU A 50 -4.814 -0.775 -11.186 1.00 41.04 H new ATOM 0 HB3 GLU A 50 -4.253 -2.401 -10.852 1.00 41.04 H new ATOM 0 HG2 GLU A 50 -5.540 -3.345 -12.586 1.00 21.41 H new ATOM 0 HG3 GLU A 50 -6.620 -1.968 -12.671 1.00 21.41 H new ATOM 760 N GLU A 51 -5.547 -3.706 -8.508 1.00 54.25 N ATOM 761 CA GLU A 51 -5.517 -5.054 -7.951 1.00 23.11 C ATOM 762 C GLU A 51 -6.821 -5.372 -7.225 1.00 71.12 C ATOM 763 O GLU A 51 -7.451 -6.399 -7.479 1.00 75.52 O ATOM 764 CB GLU A 51 -4.336 -5.206 -6.990 1.00 43.34 C ATOM 765 CG GLU A 51 -4.202 -6.603 -6.406 1.00 43.31 C ATOM 766 CD GLU A 51 -4.161 -7.680 -7.473 1.00 12.43 C ATOM 767 OE1 GLU A 51 -3.290 -7.600 -8.365 1.00 34.33 O ATOM 768 OE2 GLU A 51 -5.000 -8.603 -7.416 1.00 33.43 O ATOM 0 H GLU A 51 -4.980 -3.026 -8.001 1.00 54.25 H new ATOM 0 HA GLU A 51 -5.399 -5.758 -8.775 1.00 23.11 H new ATOM 0 HB2 GLU A 51 -3.416 -4.951 -7.516 1.00 43.34 H new ATOM 0 HB3 GLU A 51 -4.447 -4.490 -6.176 1.00 43.34 H new ATOM 0 HG2 GLU A 51 -3.293 -6.656 -5.806 1.00 43.31 H new ATOM 0 HG3 GLU A 51 -5.039 -6.794 -5.734 1.00 43.31 H new ATOM 775 N PHE A 52 -7.220 -4.484 -6.321 1.00 33.40 N ATOM 776 CA PHE A 52 -8.447 -4.670 -5.556 1.00 34.02 C ATOM 777 C PHE A 52 -9.630 -4.008 -6.256 1.00 44.52 C ATOM 778 O PHE A 52 -10.725 -3.920 -5.702 1.00 42.34 O ATOM 779 CB PHE A 52 -8.288 -4.097 -4.147 1.00 33.22 C ATOM 780 CG PHE A 52 -7.134 -4.686 -3.387 1.00 12.13 C ATOM 781 CD1 PHE A 52 -7.291 -5.858 -2.663 1.00 11.32 C ATOM 782 CD2 PHE A 52 -5.894 -4.070 -3.395 1.00 24.13 C ATOM 783 CE1 PHE A 52 -6.232 -6.402 -1.963 1.00 20.22 C ATOM 784 CE2 PHE A 52 -4.830 -4.609 -2.696 1.00 0.41 C ATOM 785 CZ PHE A 52 -4.999 -5.778 -1.980 1.00 34.13 C ATOM 0 H PHE A 52 -6.711 -3.628 -6.100 1.00 33.40 H new ATOM 0 HA PHE A 52 -8.642 -5.740 -5.485 1.00 34.02 H new ATOM 0 HB2 PHE A 52 -8.154 -3.017 -4.215 1.00 33.22 H new ATOM 0 HB3 PHE A 52 -9.207 -4.270 -3.587 1.00 33.22 H new ATOM 0 HD1 PHE A 52 -8.252 -6.351 -2.646 1.00 11.32 H new ATOM 0 HD2 PHE A 52 -5.756 -3.157 -3.955 1.00 24.13 H new ATOM 0 HE1 PHE A 52 -6.367 -7.315 -1.402 1.00 20.22 H new ATOM 0 HE2 PHE A 52 -3.869 -4.117 -2.710 1.00 0.41 H new ATOM 0 HZ PHE A 52 -4.170 -6.203 -1.435 1.00 34.13 H new ATOM 795 N GLY A 53 -9.399 -3.540 -7.479 1.00 51.34 N ATOM 796 CA GLY A 53 -10.454 -2.890 -8.236 1.00 24.33 C ATOM 797 C GLY A 53 -11.130 -1.781 -7.454 1.00 71.35 C ATOM 798 O GLY A 53 -12.305 -1.486 -7.674 1.00 21.11 O ATOM 0 H GLY A 53 -8.501 -3.599 -7.959 1.00 51.34 H new ATOM 0 HA2 GLY A 53 -10.037 -2.480 -9.156 1.00 24.33 H new ATOM 0 HA3 GLY A 53 -11.198 -3.631 -8.526 1.00 24.33 H new ATOM 802 N ILE A 54 -10.388 -1.169 -6.538 1.00 75.32 N ATOM 803 CA ILE A 54 -10.924 -0.088 -5.720 1.00 12.32 C ATOM 804 C ILE A 54 -10.538 1.273 -6.287 1.00 32.13 C ATOM 805 O ILE A 54 -9.878 1.362 -7.321 1.00 73.14 O ATOM 806 CB ILE A 54 -10.430 -0.185 -4.264 1.00 12.21 C ATOM 807 CG1 ILE A 54 -8.902 -0.138 -4.217 1.00 64.12 C ATOM 808 CG2 ILE A 54 -10.946 -1.460 -3.614 1.00 33.32 C ATOM 809 CD1 ILE A 54 -8.346 0.069 -2.826 1.00 4.53 C ATOM 0 H ILE A 54 -9.414 -1.403 -6.343 1.00 75.32 H new ATOM 0 HA ILE A 54 -12.009 -0.190 -5.734 1.00 12.32 H new ATOM 0 HB ILE A 54 -10.818 0.667 -3.706 1.00 12.21 H new ATOM 0 HG12 ILE A 54 -8.505 -1.069 -4.623 1.00 64.12 H new ATOM 0 HG13 ILE A 54 -8.551 0.667 -4.863 1.00 64.12 H new ATOM 0 HG21 ILE A 54 -10.589 -1.514 -2.586 1.00 33.32 H new ATOM 0 HG22 ILE A 54 -12.036 -1.456 -3.620 1.00 33.32 H new ATOM 0 HG23 ILE A 54 -10.584 -2.324 -4.170 1.00 33.32 H new ATOM 0 HD11 ILE A 54 -7.257 0.092 -2.869 1.00 4.53 H new ATOM 0 HD12 ILE A 54 -8.713 1.013 -2.424 1.00 4.53 H new ATOM 0 HD13 ILE A 54 -8.666 -0.749 -2.181 1.00 4.53 H new ATOM 821 N ASN A 55 -10.952 2.334 -5.599 1.00 61.34 N ATOM 822 CA ASN A 55 -10.648 3.692 -6.034 1.00 30.42 C ATOM 823 C ASN A 55 -10.456 4.616 -4.835 1.00 3.34 C ATOM 824 O ASN A 55 -11.295 4.666 -3.935 1.00 21.22 O ATOM 825 CB ASN A 55 -11.767 4.226 -6.929 1.00 41.12 C ATOM 826 CG ASN A 55 -13.137 3.744 -6.492 1.00 45.41 C ATOM 827 OD1 ASN A 55 -13.760 2.920 -7.162 1.00 24.13 O ATOM 828 ND2 ASN A 55 -13.612 4.259 -5.365 1.00 31.20 N ATOM 0 H ASN A 55 -11.498 2.278 -4.739 1.00 61.34 H new ATOM 0 HA ASN A 55 -9.719 3.665 -6.603 1.00 30.42 H new ATOM 0 HB2 ASN A 55 -11.748 5.316 -6.919 1.00 41.12 H new ATOM 0 HB3 ASN A 55 -11.586 3.914 -7.958 1.00 41.12 H new ATOM 0 HD21 ASN A 55 -14.529 3.975 -5.021 1.00 31.20 H new ATOM 0 HD22 ASN A 55 -13.060 4.939 -4.843 1.00 31.20 H new ATOM 835 N VAL A 56 -9.346 5.348 -4.829 1.00 64.12 N ATOM 836 CA VAL A 56 -9.044 6.272 -3.743 1.00 72.41 C ATOM 837 C VAL A 56 -8.227 7.458 -4.241 1.00 42.53 C ATOM 838 O VAL A 56 -7.419 7.326 -5.161 1.00 73.42 O ATOM 839 CB VAL A 56 -8.274 5.571 -2.608 1.00 61.40 C ATOM 840 CG1 VAL A 56 -6.944 5.036 -3.117 1.00 22.32 C ATOM 841 CG2 VAL A 56 -8.063 6.523 -1.441 1.00 3.15 C ATOM 0 H VAL A 56 -8.641 5.318 -5.565 1.00 64.12 H new ATOM 0 HA VAL A 56 -9.999 6.630 -3.357 1.00 72.41 H new ATOM 0 HB VAL A 56 -8.868 4.727 -2.256 1.00 61.40 H new ATOM 0 HG11 VAL A 56 -6.414 4.544 -2.302 1.00 22.32 H new ATOM 0 HG12 VAL A 56 -7.123 4.319 -3.918 1.00 22.32 H new ATOM 0 HG13 VAL A 56 -6.341 5.861 -3.496 1.00 22.32 H new ATOM 0 HG21 VAL A 56 -7.517 6.011 -0.648 1.00 3.15 H new ATOM 0 HG22 VAL A 56 -7.490 7.388 -1.776 1.00 3.15 H new ATOM 0 HG23 VAL A 56 -9.030 6.853 -1.061 1.00 3.15 H new ATOM 851 N ASP A 57 -8.442 8.617 -3.628 1.00 54.12 N ATOM 852 CA ASP A 57 -7.723 9.828 -4.007 1.00 50.54 C ATOM 853 C ASP A 57 -6.371 9.901 -3.305 1.00 53.44 C ATOM 854 O ASP A 57 -6.194 9.345 -2.222 1.00 43.13 O ATOM 855 CB ASP A 57 -8.556 11.066 -3.671 1.00 5.13 C ATOM 856 CG ASP A 57 -9.562 11.401 -4.754 1.00 41.32 C ATOM 857 OD1 ASP A 57 -10.441 10.557 -5.027 1.00 64.12 O ATOM 858 OD2 ASP A 57 -9.470 12.505 -5.329 1.00 3.22 O ATOM 0 H ASP A 57 -9.109 8.743 -2.866 1.00 54.12 H new ATOM 0 HA ASP A 57 -7.550 9.797 -5.083 1.00 50.54 H new ATOM 0 HB2 ASP A 57 -9.081 10.902 -2.730 1.00 5.13 H new ATOM 0 HB3 ASP A 57 -7.892 11.917 -3.521 1.00 5.13 H new ATOM 863 N GLU A 58 -5.422 10.588 -3.931 1.00 21.33 N ATOM 864 CA GLU A 58 -4.085 10.732 -3.366 1.00 62.33 C ATOM 865 C GLU A 58 -4.116 11.594 -2.107 1.00 23.00 C ATOM 866 O GLU A 58 -3.446 11.292 -1.119 1.00 12.34 O ATOM 867 CB GLU A 58 -3.135 11.347 -4.395 1.00 41.12 C ATOM 868 CG GLU A 58 -1.684 10.940 -4.204 1.00 21.03 C ATOM 869 CD GLU A 58 -1.407 9.527 -4.681 1.00 22.41 C ATOM 870 OE1 GLU A 58 -1.640 9.247 -5.875 1.00 24.12 O ATOM 871 OE2 GLU A 58 -0.955 8.702 -3.859 1.00 22.41 O ATOM 0 H GLU A 58 -5.553 11.054 -4.829 1.00 21.33 H new ATOM 0 HA GLU A 58 -3.724 9.739 -3.097 1.00 62.33 H new ATOM 0 HB2 GLU A 58 -3.457 11.054 -5.394 1.00 41.12 H new ATOM 0 HB3 GLU A 58 -3.209 12.433 -4.341 1.00 41.12 H new ATOM 0 HG2 GLU A 58 -1.041 11.635 -4.745 1.00 21.03 H new ATOM 0 HG3 GLU A 58 -1.424 11.021 -3.149 1.00 21.03 H new ATOM 878 N ASP A 59 -4.897 12.668 -2.152 1.00 55.42 N ATOM 879 CA ASP A 59 -5.017 13.573 -1.016 1.00 10.24 C ATOM 880 C ASP A 59 -5.450 12.820 0.238 1.00 11.32 C ATOM 881 O ASP A 59 -5.163 13.241 1.359 1.00 70.34 O ATOM 882 CB ASP A 59 -6.018 14.687 -1.327 1.00 5.12 C ATOM 883 CG ASP A 59 -5.470 15.698 -2.316 1.00 22.21 C ATOM 884 OD1 ASP A 59 -4.693 16.581 -1.893 1.00 13.02 O ATOM 885 OD2 ASP A 59 -5.817 15.607 -3.511 1.00 44.30 O ATOM 0 H ASP A 59 -5.456 12.933 -2.963 1.00 55.42 H new ATOM 0 HA ASP A 59 -4.038 14.015 -0.832 1.00 10.24 H new ATOM 0 HB2 ASP A 59 -6.932 14.249 -1.728 1.00 5.12 H new ATOM 0 HB3 ASP A 59 -6.288 15.197 -0.402 1.00 5.12 H new ATOM 890 N LYS A 60 -6.145 11.704 0.040 1.00 23.14 N ATOM 891 CA LYS A 60 -6.618 10.891 1.154 1.00 64.52 C ATOM 892 C LYS A 60 -5.514 9.968 1.662 1.00 4.14 C ATOM 893 O LYS A 60 -5.525 9.552 2.819 1.00 72.55 O ATOM 894 CB LYS A 60 -7.832 10.063 0.727 1.00 33.33 C ATOM 895 CG LYS A 60 -8.996 10.903 0.229 1.00 23.31 C ATOM 896 CD LYS A 60 -9.927 11.294 1.364 1.00 70.22 C ATOM 897 CE LYS A 60 -9.567 12.656 1.935 1.00 30.24 C ATOM 898 NZ LYS A 60 -10.248 13.762 1.207 1.00 13.40 N ATOM 0 H LYS A 60 -6.393 11.343 -0.881 1.00 23.14 H new ATOM 0 HA LYS A 60 -6.908 11.561 1.963 1.00 64.52 H new ATOM 0 HB2 LYS A 60 -7.531 9.371 -0.060 1.00 33.33 H new ATOM 0 HB3 LYS A 60 -8.165 9.460 1.571 1.00 33.33 H new ATOM 0 HG2 LYS A 60 -8.616 11.802 -0.257 1.00 23.31 H new ATOM 0 HG3 LYS A 60 -9.553 10.345 -0.524 1.00 23.31 H new ATOM 0 HD2 LYS A 60 -10.956 11.310 1.003 1.00 70.22 H new ATOM 0 HD3 LYS A 60 -9.877 10.543 2.152 1.00 70.22 H new ATOM 0 HE2 LYS A 60 -9.842 12.692 2.989 1.00 30.24 H new ATOM 0 HE3 LYS A 60 -8.488 12.798 1.883 1.00 30.24 H new ATOM 0 HZ1 LYS A 60 -9.976 14.674 1.627 1.00 13.40 H new ATOM 0 HZ2 LYS A 60 -9.966 13.744 0.206 1.00 13.40 H new ATOM 0 HZ3 LYS A 60 -11.279 13.642 1.278 1.00 13.40 H new ATOM 912 N ALA A 61 -4.562 9.655 0.789 1.00 12.54 N ATOM 913 CA ALA A 61 -3.450 8.785 1.150 1.00 4.14 C ATOM 914 C ALA A 61 -2.231 9.600 1.571 1.00 74.53 C ATOM 915 O ALA A 61 -1.094 9.157 1.411 1.00 32.44 O ATOM 916 CB ALA A 61 -3.098 7.867 -0.011 1.00 13.41 C ATOM 0 H ALA A 61 -4.539 9.991 -0.174 1.00 12.54 H new ATOM 0 HA ALA A 61 -3.759 8.175 1.999 1.00 4.14 H new ATOM 0 HB1 ALA A 61 -2.266 7.223 0.274 1.00 13.41 H new ATOM 0 HB2 ALA A 61 -3.962 7.253 -0.264 1.00 13.41 H new ATOM 0 HB3 ALA A 61 -2.814 8.467 -0.876 1.00 13.41 H new ATOM 922 N GLN A 62 -2.477 10.790 2.110 1.00 41.42 N ATOM 923 CA GLN A 62 -1.398 11.665 2.552 1.00 13.35 C ATOM 924 C GLN A 62 -0.855 11.219 3.905 1.00 34.14 C ATOM 925 O GLN A 62 0.353 11.051 4.076 1.00 13.42 O ATOM 926 CB GLN A 62 -1.890 13.111 2.637 1.00 30.24 C ATOM 927 CG GLN A 62 -2.012 13.793 1.285 1.00 0.34 C ATOM 928 CD GLN A 62 -0.666 14.154 0.689 1.00 24.32 C ATOM 929 OE1 GLN A 62 0.249 14.573 1.400 1.00 64.41 O ATOM 930 NE2 GLN A 62 -0.536 13.994 -0.623 1.00 32.21 N ATOM 0 H GLN A 62 -3.413 11.170 2.251 1.00 41.42 H new ATOM 0 HA GLN A 62 -0.592 11.605 1.821 1.00 13.35 H new ATOM 0 HB2 GLN A 62 -2.861 13.127 3.131 1.00 30.24 H new ATOM 0 HB3 GLN A 62 -1.205 13.683 3.262 1.00 30.24 H new ATOM 0 HG2 GLN A 62 -2.545 13.136 0.598 1.00 0.34 H new ATOM 0 HG3 GLN A 62 -2.612 14.697 1.391 1.00 0.34 H new ATOM 0 HE21 GLN A 62 -1.320 13.644 -1.174 1.00 32.21 H new ATOM 0 HE22 GLN A 62 0.348 14.221 -1.079 1.00 32.21 H new ATOM 939 N ASP A 63 -1.755 11.028 4.864 1.00 32.12 N ATOM 940 CA ASP A 63 -1.367 10.601 6.203 1.00 63.32 C ATOM 941 C ASP A 63 -0.639 9.261 6.155 1.00 21.40 C ATOM 942 O ASP A 63 0.123 8.926 7.063 1.00 65.33 O ATOM 943 CB ASP A 63 -2.597 10.495 7.105 1.00 74.33 C ATOM 944 CG ASP A 63 -3.165 11.851 7.472 1.00 3.15 C ATOM 945 OD1 ASP A 63 -2.377 12.739 7.857 1.00 2.34 O ATOM 946 OD2 ASP A 63 -4.398 12.025 7.375 1.00 52.04 O ATOM 0 H ASP A 63 -2.758 11.162 4.739 1.00 32.12 H new ATOM 0 HA ASP A 63 -0.689 11.349 6.614 1.00 63.32 H new ATOM 0 HB2 ASP A 63 -3.364 9.908 6.600 1.00 74.33 H new ATOM 0 HB3 ASP A 63 -2.331 9.957 8.015 1.00 74.33 H new ATOM 951 N ILE A 64 -0.879 8.500 5.093 1.00 72.34 N ATOM 952 CA ILE A 64 -0.246 7.197 4.929 1.00 13.52 C ATOM 953 C ILE A 64 1.266 7.296 5.097 1.00 41.22 C ATOM 954 O ILE A 64 1.916 8.141 4.481 1.00 40.32 O ATOM 955 CB ILE A 64 -0.560 6.590 3.549 1.00 63.14 C ATOM 956 CG1 ILE A 64 -2.073 6.481 3.346 1.00 5.15 C ATOM 957 CG2 ILE A 64 0.098 5.225 3.408 1.00 33.41 C ATOM 958 CD1 ILE A 64 -2.750 5.559 4.335 1.00 61.34 C ATOM 0 H ILE A 64 -1.507 8.763 4.333 1.00 72.34 H new ATOM 0 HA ILE A 64 -0.653 6.547 5.704 1.00 13.52 H new ATOM 0 HB ILE A 64 -0.156 7.248 2.780 1.00 63.14 H new ATOM 0 HG12 ILE A 64 -2.515 7.474 3.426 1.00 5.15 H new ATOM 0 HG13 ILE A 64 -2.271 6.125 2.335 1.00 5.15 H new ATOM 0 HG21 ILE A 64 -0.133 4.809 2.427 1.00 33.41 H new ATOM 0 HG22 ILE A 64 1.178 5.329 3.512 1.00 33.41 H new ATOM 0 HG23 ILE A 64 -0.279 4.558 4.183 1.00 33.41 H new ATOM 0 HD11 ILE A 64 -3.820 5.530 4.132 1.00 61.34 H new ATOM 0 HD12 ILE A 64 -2.335 4.555 4.240 1.00 61.34 H new ATOM 0 HD13 ILE A 64 -2.583 5.926 5.348 1.00 61.34 H new ATOM 970 N SER A 65 1.821 6.424 5.933 1.00 72.30 N ATOM 971 CA SER A 65 3.258 6.414 6.184 1.00 12.10 C ATOM 972 C SER A 65 3.838 5.020 5.965 1.00 10.30 C ATOM 973 O SER A 65 4.802 4.844 5.219 1.00 54.41 O ATOM 974 CB SER A 65 3.551 6.883 7.609 1.00 31.54 C ATOM 975 OG SER A 65 4.853 7.433 7.708 1.00 2.21 O ATOM 0 H SER A 65 1.298 5.716 6.448 1.00 72.30 H new ATOM 0 HA SER A 65 3.730 7.099 5.480 1.00 12.10 H new ATOM 0 HB2 SER A 65 2.814 7.629 7.908 1.00 31.54 H new ATOM 0 HB3 SER A 65 3.454 6.044 8.298 1.00 31.54 H new ATOM 0 HG SER A 65 5.015 7.727 8.629 1.00 2.21 H new ATOM 981 N THR A 66 3.243 4.029 6.622 1.00 15.31 N ATOM 982 CA THR A 66 3.699 2.650 6.502 1.00 52.31 C ATOM 983 C THR A 66 2.701 1.807 5.716 1.00 43.44 C ATOM 984 O THR A 66 1.611 2.272 5.379 1.00 44.14 O ATOM 985 CB THR A 66 3.918 2.008 7.885 1.00 0.42 C ATOM 986 OG1 THR A 66 2.659 1.791 8.529 1.00 15.24 O ATOM 987 CG2 THR A 66 4.796 2.892 8.758 1.00 12.35 C ATOM 0 H THR A 66 2.444 4.156 7.243 1.00 15.31 H new ATOM 0 HA THR A 66 4.649 2.677 5.967 1.00 52.31 H new ATOM 0 HB THR A 66 4.421 1.052 7.742 1.00 0.42 H new ATOM 0 HG1 THR A 66 2.619 0.873 8.868 1.00 15.24 H new ATOM 0 HG21 THR A 66 4.937 2.419 9.730 1.00 12.35 H new ATOM 0 HG22 THR A 66 5.765 3.030 8.278 1.00 12.35 H new ATOM 0 HG23 THR A 66 4.316 3.861 8.893 1.00 12.35 H new ATOM 995 N ILE A 67 3.079 0.566 5.427 1.00 30.42 N ATOM 996 CA ILE A 67 2.215 -0.341 4.683 1.00 71.02 C ATOM 997 C ILE A 67 0.848 -0.466 5.345 1.00 51.52 C ATOM 998 O ILE A 67 -0.185 -0.360 4.683 1.00 50.20 O ATOM 999 CB ILE A 67 2.843 -1.742 4.560 1.00 21.30 C ATOM 1000 CG1 ILE A 67 4.231 -1.648 3.921 1.00 61.42 C ATOM 1001 CG2 ILE A 67 1.941 -2.658 3.747 1.00 53.24 C ATOM 1002 CD1 ILE A 67 4.214 -1.075 2.522 1.00 43.13 C ATOM 0 H ILE A 67 3.978 0.166 5.697 1.00 30.42 H new ATOM 0 HA ILE A 67 2.095 0.084 3.686 1.00 71.02 H new ATOM 0 HB ILE A 67 2.951 -2.164 5.559 1.00 21.30 H new ATOM 0 HG12 ILE A 67 4.871 -1.030 4.550 1.00 61.42 H new ATOM 0 HG13 ILE A 67 4.677 -2.642 3.892 1.00 61.42 H new ATOM 0 HG21 ILE A 67 2.399 -3.644 3.669 1.00 53.24 H new ATOM 0 HG22 ILE A 67 0.972 -2.745 4.239 1.00 53.24 H new ATOM 0 HG23 ILE A 67 1.804 -2.242 2.749 1.00 53.24 H new ATOM 0 HD11 ILE A 67 5.231 -1.038 2.132 1.00 43.13 H new ATOM 0 HD12 ILE A 67 3.601 -1.705 1.878 1.00 43.13 H new ATOM 0 HD13 ILE A 67 3.798 -0.068 2.546 1.00 43.13 H new ATOM 1014 N GLN A 68 0.849 -0.691 6.655 1.00 75.03 N ATOM 1015 CA GLN A 68 -0.393 -0.829 7.406 1.00 74.04 C ATOM 1016 C GLN A 68 -1.323 0.350 7.143 1.00 14.23 C ATOM 1017 O GLN A 68 -2.514 0.169 6.893 1.00 71.40 O ATOM 1018 CB GLN A 68 -0.098 -0.938 8.903 1.00 12.14 C ATOM 1019 CG GLN A 68 -0.002 -2.370 9.403 1.00 14.11 C ATOM 1020 CD GLN A 68 -1.340 -2.921 9.856 1.00 14.52 C ATOM 1021 OE1 GLN A 68 -2.200 -3.252 8.900 1.00 62.24 O flip ATOM 1022 NE2 GLN A 68 -1.599 -3.047 11.054 1.00 3.11 N flip ATOM 0 H GLN A 68 1.695 -0.781 7.218 1.00 75.03 H new ATOM 0 HA GLN A 68 -0.890 -1.740 7.073 1.00 74.04 H new ATOM 0 HB2 GLN A 68 0.839 -0.424 9.118 1.00 12.14 H new ATOM 0 HB3 GLN A 68 -0.881 -0.420 9.457 1.00 12.14 H new ATOM 0 HG2 GLN A 68 0.397 -3.002 8.609 1.00 14.11 H new ATOM 0 HG3 GLN A 68 0.705 -2.415 10.232 1.00 14.11 H new ATOM 0 HE21 GLN A 68 -0.909 -2.780 11.756 1.00 3.11 H new ATOM 0 HE22 GLN A 68 -2.504 -3.418 11.344 1.00 3.11 H new ATOM 1031 N GLN A 69 -0.770 1.557 7.202 1.00 2.31 N ATOM 1032 CA GLN A 69 -1.552 2.767 6.970 1.00 20.43 C ATOM 1033 C GLN A 69 -2.301 2.685 5.645 1.00 12.15 C ATOM 1034 O GLN A 69 -3.479 3.036 5.565 1.00 63.44 O ATOM 1035 CB GLN A 69 -0.641 3.996 6.980 1.00 12.42 C ATOM 1036 CG GLN A 69 0.080 4.209 8.301 1.00 72.31 C ATOM 1037 CD GLN A 69 -0.875 4.404 9.463 1.00 45.11 C ATOM 1038 OE1 GLN A 69 -1.753 5.266 9.421 1.00 53.00 O ATOM 1039 NE2 GLN A 69 -0.706 3.602 10.509 1.00 1.21 N ATOM 0 H GLN A 69 0.215 1.724 7.408 1.00 2.31 H new ATOM 0 HA GLN A 69 -2.283 2.858 7.774 1.00 20.43 H new ATOM 0 HB2 GLN A 69 0.098 3.897 6.185 1.00 12.42 H new ATOM 0 HB3 GLN A 69 -1.236 4.881 6.754 1.00 12.42 H new ATOM 0 HG2 GLN A 69 0.721 3.351 8.503 1.00 72.31 H new ATOM 0 HG3 GLN A 69 0.730 5.080 8.220 1.00 72.31 H new ATOM 0 HE21 GLN A 69 0.035 2.901 10.500 1.00 1.21 H new ATOM 0 HE22 GLN A 69 -1.318 3.687 11.321 1.00 1.21 H new ATOM 1048 N ALA A 70 -1.613 2.220 4.609 1.00 23.31 N ATOM 1049 CA ALA A 70 -2.214 2.091 3.287 1.00 34.10 C ATOM 1050 C ALA A 70 -3.194 0.923 3.242 1.00 13.13 C ATOM 1051 O ALA A 70 -4.145 0.929 2.462 1.00 55.31 O ATOM 1052 CB ALA A 70 -1.134 1.917 2.230 1.00 63.12 C ATOM 0 H ALA A 70 -0.638 1.926 4.659 1.00 23.31 H new ATOM 0 HA ALA A 70 -2.768 3.006 3.076 1.00 34.10 H new ATOM 0 HB1 ALA A 70 -1.598 1.822 1.248 1.00 63.12 H new ATOM 0 HB2 ALA A 70 -0.475 2.785 2.237 1.00 63.12 H new ATOM 0 HB3 ALA A 70 -0.555 1.019 2.446 1.00 63.12 H new ATOM 1058 N ALA A 71 -2.954 -0.078 4.083 1.00 24.32 N ATOM 1059 CA ALA A 71 -3.816 -1.252 4.139 1.00 1.21 C ATOM 1060 C ALA A 71 -5.138 -0.929 4.826 1.00 34.23 C ATOM 1061 O ALA A 71 -6.193 -1.423 4.428 1.00 44.44 O ATOM 1062 CB ALA A 71 -3.109 -2.391 4.859 1.00 60.23 C ATOM 0 H ALA A 71 -2.170 -0.099 4.735 1.00 24.32 H new ATOM 0 HA ALA A 71 -4.034 -1.562 3.117 1.00 1.21 H new ATOM 0 HB1 ALA A 71 -3.764 -3.262 4.894 1.00 60.23 H new ATOM 0 HB2 ALA A 71 -2.194 -2.647 4.325 1.00 60.23 H new ATOM 0 HB3 ALA A 71 -2.862 -2.082 5.875 1.00 60.23 H new ATOM 1068 N ASP A 72 -5.075 -0.098 5.861 1.00 62.52 N ATOM 1069 CA ASP A 72 -6.268 0.291 6.604 1.00 74.53 C ATOM 1070 C ASP A 72 -7.224 1.085 5.719 1.00 70.42 C ATOM 1071 O ASP A 72 -8.442 1.010 5.881 1.00 72.14 O ATOM 1072 CB ASP A 72 -5.883 1.118 7.832 1.00 51.22 C ATOM 1073 CG ASP A 72 -6.900 1.002 8.950 1.00 1.54 C ATOM 1074 OD1 ASP A 72 -6.768 0.078 9.779 1.00 41.22 O ATOM 1075 OD2 ASP A 72 -7.828 1.836 8.996 1.00 15.43 O ATOM 0 H ASP A 72 -4.210 0.319 6.204 1.00 62.52 H new ATOM 0 HA ASP A 72 -6.774 -0.617 6.932 1.00 74.53 H new ATOM 0 HB2 ASP A 72 -4.909 0.791 8.196 1.00 51.22 H new ATOM 0 HB3 ASP A 72 -5.781 2.164 7.544 1.00 51.22 H new ATOM 1080 N VAL A 73 -6.663 1.845 4.784 1.00 13.34 N ATOM 1081 CA VAL A 73 -7.466 2.653 3.874 1.00 60.13 C ATOM 1082 C VAL A 73 -8.107 1.790 2.793 1.00 74.41 C ATOM 1083 O VAL A 73 -9.290 1.940 2.486 1.00 1.40 O ATOM 1084 CB VAL A 73 -6.620 3.751 3.203 1.00 24.31 C ATOM 1085 CG1 VAL A 73 -7.466 4.562 2.234 1.00 14.44 C ATOM 1086 CG2 VAL A 73 -5.986 4.651 4.254 1.00 12.12 C ATOM 0 H VAL A 73 -5.656 1.918 4.637 1.00 13.34 H new ATOM 0 HA VAL A 73 -8.247 3.121 4.473 1.00 60.13 H new ATOM 0 HB VAL A 73 -5.821 3.274 2.636 1.00 24.31 H new ATOM 0 HG11 VAL A 73 -6.850 5.333 1.770 1.00 14.44 H new ATOM 0 HG12 VAL A 73 -7.867 3.904 1.462 1.00 14.44 H new ATOM 0 HG13 VAL A 73 -8.289 5.031 2.774 1.00 14.44 H new ATOM 0 HG21 VAL A 73 -5.392 5.421 3.763 1.00 12.12 H new ATOM 0 HG22 VAL A 73 -6.768 5.121 4.850 1.00 12.12 H new ATOM 0 HG23 VAL A 73 -5.344 4.056 4.903 1.00 12.12 H new ATOM 1096 N ILE A 74 -7.319 0.886 2.220 1.00 0.21 N ATOM 1097 CA ILE A 74 -7.811 -0.002 1.175 1.00 4.14 C ATOM 1098 C ILE A 74 -8.892 -0.934 1.709 1.00 51.42 C ATOM 1099 O ILE A 74 -9.999 -0.989 1.172 1.00 24.31 O ATOM 1100 CB ILE A 74 -6.672 -0.847 0.573 1.00 10.52 C ATOM 1101 CG1 ILE A 74 -5.596 0.061 -0.025 1.00 60.21 C ATOM 1102 CG2 ILE A 74 -7.219 -1.796 -0.484 1.00 33.00 C ATOM 1103 CD1 ILE A 74 -4.237 -0.596 -0.121 1.00 71.45 C ATOM 0 H ILE A 74 -6.338 0.750 2.462 1.00 0.21 H new ATOM 0 HA ILE A 74 -8.234 0.632 0.396 1.00 4.14 H new ATOM 0 HB ILE A 74 -6.220 -1.440 1.368 1.00 10.52 H new ATOM 0 HG12 ILE A 74 -5.910 0.376 -1.020 1.00 60.21 H new ATOM 0 HG13 ILE A 74 -5.513 0.962 0.583 1.00 60.21 H new ATOM 0 HG21 ILE A 74 -6.403 -2.386 -0.900 1.00 33.00 H new ATOM 0 HG22 ILE A 74 -7.954 -2.461 -0.030 1.00 33.00 H new ATOM 0 HG23 ILE A 74 -7.693 -1.221 -1.279 1.00 33.00 H new ATOM 0 HD11 ILE A 74 -3.524 0.105 -0.554 1.00 71.45 H new ATOM 0 HD12 ILE A 74 -3.902 -0.886 0.875 1.00 71.45 H new ATOM 0 HD13 ILE A 74 -4.305 -1.481 -0.753 1.00 71.45 H new ATOM 1115 N GLU A 75 -8.566 -1.664 2.771 1.00 54.04 N ATOM 1116 CA GLU A 75 -9.511 -2.594 3.378 1.00 31.45 C ATOM 1117 C GLU A 75 -10.828 -1.895 3.703 1.00 13.13 C ATOM 1118 O GLU A 75 -11.891 -2.515 3.697 1.00 41.53 O ATOM 1119 CB GLU A 75 -8.917 -3.202 4.651 1.00 24.22 C ATOM 1120 CG GLU A 75 -8.832 -2.224 5.811 1.00 25.11 C ATOM 1121 CD GLU A 75 -10.090 -2.212 6.657 1.00 74.00 C ATOM 1122 OE1 GLU A 75 -10.640 -3.303 6.918 1.00 33.33 O ATOM 1123 OE2 GLU A 75 -10.525 -1.113 7.058 1.00 23.55 O ATOM 0 H GLU A 75 -7.655 -1.629 3.229 1.00 54.04 H new ATOM 0 HA GLU A 75 -9.708 -3.391 2.661 1.00 31.45 H new ATOM 0 HB2 GLU A 75 -9.522 -4.057 4.952 1.00 24.22 H new ATOM 0 HB3 GLU A 75 -7.918 -3.580 4.431 1.00 24.22 H new ATOM 0 HG2 GLU A 75 -7.979 -2.483 6.438 1.00 25.11 H new ATOM 0 HG3 GLU A 75 -8.650 -1.222 5.424 1.00 25.11 H new ATOM 1130 N GLY A 76 -10.750 -0.598 3.989 1.00 72.43 N ATOM 1131 CA GLY A 76 -11.941 0.164 4.314 1.00 40.14 C ATOM 1132 C GLY A 76 -12.893 0.280 3.139 1.00 61.34 C ATOM 1133 O GLY A 76 -14.102 0.431 3.322 1.00 62.33 O ATOM 0 H GLY A 76 -9.882 -0.062 4.001 1.00 72.43 H new ATOM 0 HA2 GLY A 76 -12.456 -0.311 5.149 1.00 40.14 H new ATOM 0 HA3 GLY A 76 -11.652 1.162 4.643 1.00 40.14 H new ATOM 1137 N LEU A 77 -12.348 0.210 1.930 1.00 40.33 N ATOM 1138 CA LEU A 77 -13.158 0.310 0.719 1.00 24.52 C ATOM 1139 C LEU A 77 -13.835 -1.020 0.406 1.00 44.12 C ATOM 1140 O LEU A 77 -14.932 -1.054 -0.152 1.00 11.23 O ATOM 1141 CB LEU A 77 -12.289 0.744 -0.464 1.00 34.15 C ATOM 1142 CG LEU A 77 -11.684 2.145 -0.372 1.00 5.03 C ATOM 1143 CD1 LEU A 77 -10.601 2.329 -1.425 1.00 41.32 C ATOM 1144 CD2 LEU A 77 -12.765 3.205 -0.527 1.00 12.14 C ATOM 0 H LEU A 77 -11.350 0.085 1.761 1.00 40.33 H new ATOM 0 HA LEU A 77 -13.931 1.059 0.889 1.00 24.52 H new ATOM 0 HB2 LEU A 77 -11.477 0.026 -0.576 1.00 34.15 H new ATOM 0 HB3 LEU A 77 -12.891 0.688 -1.371 1.00 34.15 H new ATOM 0 HG LEU A 77 -11.230 2.259 0.612 1.00 5.03 H new ATOM 0 HD11 LEU A 77 -10.182 3.332 -1.344 1.00 41.32 H new ATOM 0 HD12 LEU A 77 -9.813 1.593 -1.269 1.00 41.32 H new ATOM 0 HD13 LEU A 77 -11.032 2.194 -2.417 1.00 41.32 H new ATOM 0 HD21 LEU A 77 -12.316 4.196 -0.459 1.00 12.14 H new ATOM 0 HD22 LEU A 77 -13.249 3.092 -1.497 1.00 12.14 H new ATOM 0 HD23 LEU A 77 -13.506 3.087 0.264 1.00 12.14 H new ATOM 1156 N LEU A 78 -13.176 -2.114 0.771 1.00 3.42 N ATOM 1157 CA LEU A 78 -13.715 -3.448 0.531 1.00 41.23 C ATOM 1158 C LEU A 78 -15.146 -3.558 1.048 1.00 32.33 C ATOM 1159 O LEU A 78 -16.033 -4.044 0.347 1.00 34.45 O ATOM 1160 CB LEU A 78 -12.836 -4.503 1.203 1.00 65.15 C ATOM 1161 CG LEU A 78 -11.638 -4.996 0.389 1.00 2.02 C ATOM 1162 CD1 LEU A 78 -12.088 -5.972 -0.686 1.00 43.55 C ATOM 1163 CD2 LEU A 78 -10.896 -3.821 -0.231 1.00 73.25 C ATOM 0 H LEU A 78 -12.267 -2.104 1.234 1.00 3.42 H new ATOM 0 HA LEU A 78 -13.722 -3.622 -0.545 1.00 41.23 H new ATOM 0 HB2 LEU A 78 -12.467 -4.094 2.144 1.00 65.15 H new ATOM 0 HB3 LEU A 78 -13.459 -5.362 1.451 1.00 65.15 H new ATOM 0 HG LEU A 78 -10.956 -5.517 1.061 1.00 2.02 H new ATOM 0 HD11 LEU A 78 -11.222 -6.312 -1.255 1.00 43.55 H new ATOM 0 HD12 LEU A 78 -12.574 -6.829 -0.219 1.00 43.55 H new ATOM 0 HD13 LEU A 78 -12.791 -5.477 -1.356 1.00 43.55 H new ATOM 0 HD21 LEU A 78 -10.047 -4.190 -0.806 1.00 73.25 H new ATOM 0 HD22 LEU A 78 -11.569 -3.272 -0.889 1.00 73.25 H new ATOM 0 HD23 LEU A 78 -10.540 -3.159 0.558 1.00 73.25 H new