USER MOD reduce.3.24.130724 H: found=0, std=0, add=913, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 914 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 23 GLN : amide:sc= -0.0722 K(o=1.1,f=-1.4) USER MOD Set 1.2: A 46 LYS NZ :NH3+ -134:sc= 1.13 (180deg=0.785) USER MOD Single : A 8 SER OG : rot 180:sc= -0.0307 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 ASN : amide:sc=-0.000807 X(o=-0.00081,f=-0.0035) USER MOD Single : A 13 TYR OH : rot 180:sc= -0.172 USER MOD Single : A 14 THR OG1 : rot 87:sc= 0.0235 USER MOD Single : A 15 LYS NZ :NH3+ -154:sc= 0 (180deg=-0.0168) USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 ASN : amide:sc= 0.582 K(o=0.58,f=0) USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 40 ASN : amide:sc= -0.165 X(o=-0.17,f=-0.31) USER MOD Single : A 42 LYS NZ :NH3+ 164:sc= 0 (180deg=-0.1) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 SER OG : rot 36:sc=0.000301 USER MOD Single : A 51 THR OG1 : rot 9:sc= 0.642 USER MOD Single : A 53 TYR OH : rot 180:sc= -0.0986 USER MOD Single : A 54 ASN : amide:sc= -0.39 X(o=-0.39,f=-0.72) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 SER OG : rot 180:sc= 0.0251 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 ASN : amide:sc= -0.0694 X(o=-0.069,f=0) USER MOD Single : A 75 THR OG1 : rot 96:sc= 1.25 USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 TYR OH : rot 180:sc= -0.0446 USER MOD Single : A 82 LYS NZ :NH3+ -154:sc= 0 (180deg=-0.074) USER MOD Single : A 86 ASN : amide:sc= -0.268 X(o=-0.27,f=-0.49) USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 97 ASN : amide:sc= 1.03 K(o=1,f=-1.4e-05) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 103 TYR OH : rot 180:sc= 0 USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 ASN : amide:sc= 0.376 K(o=0.38,f=-2.5!) USER MOD Single : A 118 SER OG : rot 82:sc= 0.963 USER MOD Single : A 119 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 7 -2.943 7.986 -8.353 1.00 0.00 N ATOM 60 CA GLY A 7 -2.341 9.300 -8.252 1.00 0.00 C ATOM 61 C GLY A 7 -0.823 9.208 -8.224 1.00 0.00 C ATOM 62 O GLY A 7 -0.262 8.115 -8.266 1.00 0.00 O ATOM 0 HA2 GLY A 7 -2.655 9.913 -9.097 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -2.695 9.797 -7.349 1.00 0.00 H new ATOM 66 N SER A 8 -0.144 10.353 -8.122 1.00 0.00 N ATOM 67 CA SER A 8 1.274 10.391 -7.787 1.00 0.00 C ATOM 68 C SER A 8 1.506 9.664 -6.467 1.00 0.00 C ATOM 69 O SER A 8 0.605 9.476 -5.650 1.00 0.00 O ATOM 70 CB SER A 8 1.764 11.844 -7.706 1.00 0.00 C ATOM 71 OG SER A 8 3.121 11.989 -7.323 1.00 0.00 O ATOM 0 H SER A 8 -0.562 11.272 -8.269 1.00 0.00 H new ATOM 0 HA SER A 8 1.843 9.888 -8.569 1.00 0.00 H new ATOM 0 HB2 SER A 8 1.622 12.316 -8.678 1.00 0.00 H new ATOM 0 HB3 SER A 8 1.140 12.385 -6.995 1.00 0.00 H new ATOM 0 HG SER A 8 3.354 12.941 -7.297 1.00 0.00 H new ATOM 77 N ALA A 9 2.763 9.334 -6.218 1.00 0.00 N ATOM 78 CA ALA A 9 3.159 8.687 -4.986 1.00 0.00 C ATOM 79 C ALA A 9 2.794 9.525 -3.771 1.00 0.00 C ATOM 80 O ALA A 9 2.228 9.027 -2.796 1.00 0.00 O ATOM 81 CB ALA A 9 4.652 8.406 -5.023 1.00 0.00 C ATOM 0 H ALA A 9 3.532 9.508 -6.865 1.00 0.00 H new ATOM 0 HA ALA A 9 2.617 7.746 -4.897 1.00 0.00 H new ATOM 0 HB1 ALA A 9 4.954 7.918 -4.096 1.00 0.00 H new ATOM 0 HB2 ALA A 9 4.879 7.754 -5.866 1.00 0.00 H new ATOM 0 HB3 ALA A 9 5.196 9.344 -5.133 1.00 0.00 H new ATOM 87 N LYS A 10 3.104 10.823 -3.822 1.00 0.00 N ATOM 88 CA LYS A 10 2.736 11.681 -2.704 1.00 0.00 C ATOM 89 C LYS A 10 1.238 11.947 -2.696 1.00 0.00 C ATOM 90 O LYS A 10 0.736 12.390 -1.672 1.00 0.00 O ATOM 91 CB LYS A 10 3.481 13.012 -2.754 1.00 0.00 C ATOM 92 CG LYS A 10 4.993 12.851 -2.531 1.00 0.00 C ATOM 93 CD LYS A 10 5.573 14.120 -1.895 1.00 0.00 C ATOM 94 CE LYS A 10 5.311 14.193 -0.393 1.00 0.00 C ATOM 95 NZ LYS A 10 5.817 15.445 0.197 1.00 0.00 N ATOM 0 H LYS A 10 3.588 11.284 -4.592 1.00 0.00 H new ATOM 0 HA LYS A 10 3.016 11.155 -1.791 1.00 0.00 H new ATOM 0 HB2 LYS A 10 3.308 13.485 -3.721 1.00 0.00 H new ATOM 0 HB3 LYS A 10 3.075 13.681 -1.995 1.00 0.00 H new ATOM 0 HG2 LYS A 10 5.183 11.993 -1.887 1.00 0.00 H new ATOM 0 HG3 LYS A 10 5.489 12.652 -3.481 1.00 0.00 H new ATOM 0 HD2 LYS A 10 6.647 14.154 -2.075 1.00 0.00 H new ATOM 0 HD3 LYS A 10 5.140 14.996 -2.379 1.00 0.00 H new ATOM 0 HE2 LYS A 10 4.240 14.112 -0.208 1.00 0.00 H new ATOM 0 HE3 LYS A 10 5.784 13.343 0.099 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 5.618 15.453 1.218 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 6.844 15.511 0.044 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 5.347 16.256 -0.254 1.00 0.00 H new ATOM 109 N ASN A 11 0.512 11.732 -3.797 1.00 0.00 N ATOM 110 CA ASN A 11 -0.944 11.868 -3.799 1.00 0.00 C ATOM 111 C ASN A 11 -1.589 10.863 -2.859 1.00 0.00 C ATOM 112 O ASN A 11 -2.654 11.142 -2.334 1.00 0.00 O ATOM 113 CB ASN A 11 -1.531 11.672 -5.197 1.00 0.00 C ATOM 114 CG ASN A 11 -2.983 12.131 -5.242 1.00 0.00 C ATOM 115 OD1 ASN A 11 -3.898 11.340 -5.440 1.00 0.00 O ATOM 116 ND2 ASN A 11 -3.220 13.427 -5.132 1.00 0.00 N ATOM 0 H ASN A 11 0.910 11.463 -4.697 1.00 0.00 H new ATOM 0 HA ASN A 11 -1.159 12.882 -3.461 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -0.945 12.233 -5.925 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -1.468 10.621 -5.479 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -4.174 13.780 -5.212 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -2.449 14.074 -4.967 1.00 0.00 H new ATOM 123 N ALA A 12 -0.931 9.731 -2.610 1.00 0.00 N ATOM 124 CA ALA A 12 -1.360 8.795 -1.594 1.00 0.00 C ATOM 125 C ALA A 12 -0.851 9.265 -0.223 1.00 0.00 C ATOM 126 O ALA A 12 -1.654 9.592 0.647 1.00 0.00 O ATOM 127 CB ALA A 12 -0.919 7.391 -2.014 1.00 0.00 C ATOM 0 H ALA A 12 -0.089 9.446 -3.110 1.00 0.00 H new ATOM 0 HA ALA A 12 -2.445 8.753 -1.494 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -1.234 6.670 -1.260 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -1.375 7.137 -2.971 1.00 0.00 H new ATOM 0 HB3 ALA A 12 0.166 7.364 -2.111 1.00 0.00 H new ATOM 133 N TYR A 13 0.467 9.402 -0.022 1.00 0.00 N ATOM 134 CA TYR A 13 1.023 9.705 1.302 1.00 0.00 C ATOM 135 C TYR A 13 0.501 11.011 1.922 1.00 0.00 C ATOM 136 O TYR A 13 0.122 11.007 3.093 1.00 0.00 O ATOM 137 CB TYR A 13 2.546 9.759 1.257 1.00 0.00 C ATOM 138 CG TYR A 13 3.145 9.929 2.642 1.00 0.00 C ATOM 139 CD1 TYR A 13 3.165 8.827 3.513 1.00 0.00 C ATOM 140 CD2 TYR A 13 3.634 11.178 3.081 1.00 0.00 C ATOM 141 CE1 TYR A 13 3.719 8.952 4.794 1.00 0.00 C ATOM 142 CE2 TYR A 13 4.193 11.308 4.366 1.00 0.00 C ATOM 143 CZ TYR A 13 4.217 10.191 5.230 1.00 0.00 C ATOM 144 OH TYR A 13 4.668 10.278 6.508 1.00 0.00 O ATOM 0 H TYR A 13 1.166 9.308 -0.759 1.00 0.00 H new ATOM 0 HA TYR A 13 0.685 8.887 1.939 1.00 0.00 H new ATOM 0 HB2 TYR A 13 2.929 8.844 0.805 1.00 0.00 H new ATOM 0 HB3 TYR A 13 2.862 10.585 0.620 1.00 0.00 H new ATOM 0 HD1 TYR A 13 2.752 7.881 3.195 1.00 0.00 H new ATOM 0 HD2 TYR A 13 3.579 12.037 2.429 1.00 0.00 H new ATOM 0 HE1 TYR A 13 3.763 8.094 5.448 1.00 0.00 H new ATOM 0 HE2 TYR A 13 4.600 12.255 4.689 1.00 0.00 H new ATOM 0 HH TYR A 13 4.986 11.189 6.681 1.00 0.00 H new ATOM 154 N THR A 14 0.446 12.124 1.180 1.00 0.00 N ATOM 155 CA THR A 14 -0.120 13.393 1.663 1.00 0.00 C ATOM 156 C THR A 14 -1.600 13.282 2.089 1.00 0.00 C ATOM 157 O THR A 14 -2.152 14.191 2.715 1.00 0.00 O ATOM 158 CB THR A 14 0.041 14.413 0.531 1.00 0.00 C ATOM 159 OG1 THR A 14 1.435 14.616 0.320 1.00 0.00 O ATOM 160 CG2 THR A 14 -0.644 15.773 0.694 1.00 0.00 C ATOM 0 H THR A 14 0.794 12.171 0.222 1.00 0.00 H new ATOM 0 HA THR A 14 0.413 13.699 2.563 1.00 0.00 H new ATOM 0 HB THR A 14 -0.478 13.969 -0.318 1.00 0.00 H new ATOM 0 HG1 THR A 14 1.773 13.941 -0.305 1.00 0.00 H new ATOM 0 HG21 THR A 14 -0.443 16.389 -0.182 1.00 0.00 H new ATOM 0 HG22 THR A 14 -1.719 15.629 0.797 1.00 0.00 H new ATOM 0 HG23 THR A 14 -0.258 16.271 1.584 1.00 0.00 H new ATOM 168 N LYS A 15 -2.265 12.193 1.711 1.00 0.00 N ATOM 169 CA LYS A 15 -3.680 11.935 1.937 1.00 0.00 C ATOM 170 C LYS A 15 -3.921 10.748 2.866 1.00 0.00 C ATOM 171 O LYS A 15 -5.069 10.342 3.051 1.00 0.00 O ATOM 172 CB LYS A 15 -4.349 11.679 0.595 1.00 0.00 C ATOM 173 CG LYS A 15 -4.202 12.812 -0.426 1.00 0.00 C ATOM 174 CD LYS A 15 -4.718 14.165 0.078 1.00 0.00 C ATOM 175 CE LYS A 15 -5.012 15.057 -1.125 1.00 0.00 C ATOM 176 NZ LYS A 15 -6.339 14.743 -1.702 1.00 0.00 N ATOM 0 H LYS A 15 -1.806 11.430 1.214 1.00 0.00 H new ATOM 0 HA LYS A 15 -4.106 12.811 2.426 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -3.933 10.767 0.166 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -5.410 11.497 0.763 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -3.151 12.912 -0.696 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -4.741 12.543 -1.335 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -5.620 14.027 0.675 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -3.977 14.635 0.724 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -4.980 16.104 -0.823 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -4.240 14.920 -1.882 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -6.349 15.001 -2.709 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -6.528 13.725 -1.603 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -7.073 15.282 -1.199 1.00 0.00 H new ATOM 190 N LEU A 16 -2.873 10.191 3.469 1.00 0.00 N ATOM 191 CA LEU A 16 -2.900 9.038 4.322 1.00 0.00 C ATOM 192 C LEU A 16 -2.960 9.428 5.810 1.00 0.00 C ATOM 193 O LEU A 16 -3.380 8.610 6.624 1.00 0.00 O ATOM 194 CB LEU A 16 -1.602 8.305 3.965 1.00 0.00 C ATOM 195 CG LEU A 16 -1.330 7.111 4.850 1.00 0.00 C ATOM 196 CD1 LEU A 16 -2.389 6.009 4.757 1.00 0.00 C ATOM 197 CD2 LEU A 16 0.053 6.565 4.512 1.00 0.00 C ATOM 0 H LEU A 16 -1.931 10.567 3.359 1.00 0.00 H new ATOM 0 HA LEU A 16 -3.784 8.419 4.173 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -1.652 7.976 2.927 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -0.767 9.002 4.039 1.00 0.00 H new ATOM 0 HG LEU A 16 -1.372 7.453 5.884 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -2.120 5.189 5.422 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -3.359 6.411 5.050 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -2.443 5.642 3.732 1.00 0.00 H new ATOM 0 HD21 LEU A 16 0.267 5.702 5.142 1.00 0.00 H new ATOM 0 HD22 LEU A 16 0.080 6.266 3.464 1.00 0.00 H new ATOM 0 HD23 LEU A 16 0.802 7.337 4.688 1.00 0.00 H new ATOM 209 N GLY A 17 -2.536 10.640 6.184 1.00 0.00 N ATOM 210 CA GLY A 17 -2.455 11.109 7.569 1.00 0.00 C ATOM 211 C GLY A 17 -3.023 12.515 7.750 1.00 0.00 C ATOM 212 O GLY A 17 -2.505 13.294 8.555 1.00 0.00 O ATOM 0 H GLY A 17 -2.231 11.342 5.510 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -2.996 10.417 8.215 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -1.414 11.098 7.892 1.00 0.00 H new ATOM 216 N THR A 18 -4.056 12.854 6.987 1.00 0.00 N ATOM 217 CA THR A 18 -4.904 14.034 7.135 1.00 0.00 C ATOM 218 C THR A 18 -6.212 13.623 7.825 1.00 0.00 C ATOM 219 O THR A 18 -6.759 14.385 8.618 1.00 0.00 O ATOM 220 CB THR A 18 -5.074 14.709 5.753 1.00 0.00 C ATOM 221 OG1 THR A 18 -6.167 15.594 5.689 1.00 0.00 O ATOM 222 CG2 THR A 18 -5.281 13.768 4.563 1.00 0.00 C ATOM 0 H THR A 18 -4.343 12.276 6.197 1.00 0.00 H new ATOM 0 HA THR A 18 -4.453 14.789 7.779 1.00 0.00 H new ATOM 0 HB THR A 18 -4.112 15.215 5.668 1.00 0.00 H new ATOM 0 HG1 THR A 18 -6.218 15.987 4.793 1.00 0.00 H new ATOM 0 HG21 THR A 18 -5.388 14.354 3.650 1.00 0.00 H new ATOM 0 HG22 THR A 18 -4.421 13.105 4.470 1.00 0.00 H new ATOM 0 HG23 THR A 18 -6.182 13.175 4.721 1.00 0.00 H new ATOM 230 N ASP A 19 -6.666 12.400 7.562 1.00 0.00 N ATOM 231 CA ASP A 19 -7.829 11.704 8.084 1.00 0.00 C ATOM 232 C ASP A 19 -7.333 10.502 8.878 1.00 0.00 C ATOM 233 O ASP A 19 -6.470 9.771 8.382 1.00 0.00 O ATOM 234 CB ASP A 19 -8.664 11.150 6.914 1.00 0.00 C ATOM 235 CG ASP A 19 -10.145 11.067 7.262 1.00 0.00 C ATOM 236 OD1 ASP A 19 -10.715 12.058 7.775 1.00 0.00 O ATOM 237 OD2 ASP A 19 -10.758 10.012 6.990 1.00 0.00 O ATOM 0 H ASP A 19 -6.165 11.808 6.900 1.00 0.00 H new ATOM 0 HA ASP A 19 -8.424 12.385 8.692 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -8.532 11.787 6.040 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -8.298 10.159 6.644 1.00 0.00 H new ATOM 242 N ASP A 20 -7.898 10.232 10.052 1.00 0.00 N ATOM 243 CA ASP A 20 -7.568 9.026 10.820 1.00 0.00 C ATOM 244 C ASP A 20 -8.061 7.772 10.102 1.00 0.00 C ATOM 245 O ASP A 20 -7.505 6.695 10.308 1.00 0.00 O ATOM 246 CB ASP A 20 -8.201 9.054 12.216 1.00 0.00 C ATOM 247 CG ASP A 20 -7.415 9.922 13.185 1.00 0.00 C ATOM 248 OD1 ASP A 20 -6.500 9.406 13.860 1.00 0.00 O ATOM 249 OD2 ASP A 20 -7.738 11.127 13.294 1.00 0.00 O ATOM 0 H ASP A 20 -8.591 10.834 10.497 1.00 0.00 H new ATOM 0 HA ASP A 20 -6.482 9.005 10.914 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -9.222 9.427 12.143 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -8.260 8.038 12.607 1.00 0.00 H new ATOM 254 N ASN A 21 -9.104 7.898 9.275 1.00 0.00 N ATOM 255 CA ASN A 21 -9.770 6.759 8.644 1.00 0.00 C ATOM 256 C ASN A 21 -9.074 6.368 7.342 1.00 0.00 C ATOM 257 O ASN A 21 -9.449 5.389 6.699 1.00 0.00 O ATOM 258 CB ASN A 21 -11.258 7.053 8.375 1.00 0.00 C ATOM 259 CG ASN A 21 -11.922 7.806 9.518 1.00 0.00 C ATOM 260 OD1 ASN A 21 -12.122 7.259 10.598 1.00 0.00 O ATOM 261 ND2 ASN A 21 -12.184 9.090 9.343 1.00 0.00 N ATOM 0 H ASN A 21 -9.511 8.799 9.025 1.00 0.00 H new ATOM 0 HA ASN A 21 -9.706 5.924 9.341 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -11.349 7.637 7.459 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -11.786 6.114 8.209 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -12.559 9.644 10.113 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -12.011 9.527 8.438 1.00 0.00 H new ATOM 268 N ALA A 22 -8.096 7.153 6.895 1.00 0.00 N ATOM 269 CA ALA A 22 -7.296 6.826 5.734 1.00 0.00 C ATOM 270 C ALA A 22 -6.305 5.719 6.122 1.00 0.00 C ATOM 271 O ALA A 22 -5.794 5.717 7.243 1.00 0.00 O ATOM 272 CB ALA A 22 -6.591 8.096 5.287 1.00 0.00 C ATOM 0 H ALA A 22 -7.841 8.037 7.336 1.00 0.00 H new ATOM 0 HA ALA A 22 -7.901 6.455 4.907 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -5.978 7.883 4.411 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -7.332 8.854 5.035 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -5.956 8.463 6.094 1.00 0.00 H new ATOM 278 N GLN A 23 -6.020 4.764 5.233 1.00 0.00 N ATOM 279 CA GLN A 23 -5.266 3.555 5.581 1.00 0.00 C ATOM 280 C GLN A 23 -4.292 3.123 4.481 1.00 0.00 C ATOM 281 O GLN A 23 -4.286 3.699 3.396 1.00 0.00 O ATOM 282 CB GLN A 23 -6.252 2.417 5.885 1.00 0.00 C ATOM 283 CG GLN A 23 -7.067 2.566 7.184 1.00 0.00 C ATOM 284 CD GLN A 23 -6.225 2.586 8.453 1.00 0.00 C ATOM 285 OE1 GLN A 23 -5.032 2.294 8.449 1.00 0.00 O ATOM 286 NE2 GLN A 23 -6.807 2.966 9.574 1.00 0.00 N ATOM 0 H GLN A 23 -6.304 4.806 4.254 1.00 0.00 H new ATOM 0 HA GLN A 23 -4.663 3.785 6.459 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -6.947 2.331 5.050 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -5.695 1.482 5.933 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -7.647 3.488 7.132 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -7.780 1.744 7.248 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -7.798 3.209 9.577 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -6.266 3.017 10.437 1.00 0.00 H new ATOM 295 N LEU A 24 -3.479 2.090 4.750 1.00 0.00 N ATOM 296 CA LEU A 24 -2.425 1.605 3.862 1.00 0.00 C ATOM 297 C LEU A 24 -2.502 0.086 3.708 1.00 0.00 C ATOM 298 O LEU A 24 -2.505 -0.625 4.718 1.00 0.00 O ATOM 299 CB LEU A 24 -1.070 2.035 4.449 1.00 0.00 C ATOM 300 CG LEU A 24 0.077 2.208 3.442 1.00 0.00 C ATOM 301 CD1 LEU A 24 0.433 0.973 2.607 1.00 0.00 C ATOM 302 CD2 LEU A 24 -0.220 3.387 2.527 1.00 0.00 C ATOM 0 H LEU A 24 -3.543 1.557 5.618 1.00 0.00 H new ATOM 0 HA LEU A 24 -2.547 2.033 2.867 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -1.208 2.978 4.977 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -0.767 1.296 5.191 1.00 0.00 H new ATOM 0 HG LEU A 24 0.961 2.387 4.053 1.00 0.00 H new ATOM 0 HD11 LEU A 24 1.255 1.214 1.933 1.00 0.00 H new ATOM 0 HD12 LEU A 24 0.733 0.160 3.269 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -0.435 0.665 2.025 1.00 0.00 H new ATOM 0 HD21 LEU A 24 0.595 3.508 1.813 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -1.150 3.204 1.988 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -0.318 4.294 3.123 1.00 0.00 H new ATOM 314 N LEU A 25 -2.566 -0.407 2.464 1.00 0.00 N ATOM 315 CA LEU A 25 -2.554 -1.838 2.127 1.00 0.00 C ATOM 316 C LEU A 25 -1.394 -2.121 1.193 1.00 0.00 C ATOM 317 O LEU A 25 -1.444 -1.862 -0.006 1.00 0.00 O ATOM 318 CB LEU A 25 -3.887 -2.348 1.529 1.00 0.00 C ATOM 319 CG LEU A 25 -4.314 -3.773 1.921 1.00 0.00 C ATOM 320 CD1 LEU A 25 -3.534 -4.864 1.201 1.00 0.00 C ATOM 321 CD2 LEU A 25 -4.187 -4.051 3.409 1.00 0.00 C ATOM 0 H LEU A 25 -2.629 0.194 1.642 1.00 0.00 H new ATOM 0 HA LEU A 25 -2.428 -2.389 3.059 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -4.679 -1.661 1.826 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -3.814 -2.300 0.442 1.00 0.00 H new ATOM 0 HG LEU A 25 -5.361 -3.805 1.619 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -3.889 -5.841 1.528 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -3.680 -4.766 0.125 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -2.474 -4.767 1.434 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -4.504 -5.073 3.617 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -3.149 -3.924 3.716 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -4.817 -3.356 3.964 1.00 0.00 H new ATOM 333 N ASP A 26 -0.317 -2.609 1.778 1.00 0.00 N ATOM 334 CA ASP A 26 0.895 -2.970 1.072 1.00 0.00 C ATOM 335 C ASP A 26 0.674 -4.338 0.428 1.00 0.00 C ATOM 336 O ASP A 26 0.623 -5.359 1.127 1.00 0.00 O ATOM 337 CB ASP A 26 2.011 -2.954 2.104 1.00 0.00 C ATOM 338 CG ASP A 26 3.388 -2.916 1.489 1.00 0.00 C ATOM 339 OD1 ASP A 26 3.591 -3.438 0.379 1.00 0.00 O ATOM 340 OD2 ASP A 26 4.276 -2.387 2.197 1.00 0.00 O ATOM 0 H ASP A 26 -0.260 -2.769 2.784 1.00 0.00 H new ATOM 0 HA ASP A 26 1.162 -2.284 0.268 1.00 0.00 H new ATOM 0 HB2 ASP A 26 1.885 -2.087 2.752 1.00 0.00 H new ATOM 0 HB3 ASP A 26 1.926 -3.839 2.735 1.00 0.00 H new ATOM 345 N ILE A 27 0.430 -4.347 -0.886 1.00 0.00 N ATOM 346 CA ILE A 27 0.183 -5.558 -1.664 1.00 0.00 C ATOM 347 C ILE A 27 1.484 -6.168 -2.200 1.00 0.00 C ATOM 348 O ILE A 27 1.411 -7.115 -2.995 1.00 0.00 O ATOM 349 CB ILE A 27 -0.865 -5.349 -2.789 1.00 0.00 C ATOM 350 CG1 ILE A 27 -0.425 -4.371 -3.900 1.00 0.00 C ATOM 351 CG2 ILE A 27 -2.223 -4.979 -2.173 1.00 0.00 C ATOM 352 CD1 ILE A 27 -1.273 -4.501 -5.178 1.00 0.00 C ATOM 0 H ILE A 27 0.399 -3.495 -1.446 1.00 0.00 H new ATOM 0 HA ILE A 27 -0.253 -6.280 -0.973 1.00 0.00 H new ATOM 0 HB ILE A 27 -0.963 -6.300 -3.312 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -0.493 -3.349 -3.526 1.00 0.00 H new ATOM 0 HG13 ILE A 27 0.622 -4.552 -4.144 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -2.955 -4.833 -2.967 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -2.555 -5.783 -1.516 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -2.123 -4.058 -1.598 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -0.918 -3.790 -5.924 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -1.185 -5.514 -5.572 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -2.317 -4.292 -4.945 1.00 0.00 H new ATOM 364 N ARG A 28 2.658 -5.638 -1.838 1.00 0.00 N ATOM 365 CA ARG A 28 3.930 -6.170 -2.321 1.00 0.00 C ATOM 366 C ARG A 28 4.162 -7.561 -1.748 1.00 0.00 C ATOM 367 O ARG A 28 3.553 -7.953 -0.751 1.00 0.00 O ATOM 368 CB ARG A 28 5.084 -5.231 -1.953 1.00 0.00 C ATOM 369 CG ARG A 28 4.849 -3.829 -2.535 1.00 0.00 C ATOM 370 CD ARG A 28 5.997 -2.869 -2.235 1.00 0.00 C ATOM 371 NE ARG A 28 6.049 -2.679 -0.789 1.00 0.00 N ATOM 372 CZ ARG A 28 7.043 -2.992 0.036 1.00 0.00 C ATOM 373 NH1 ARG A 28 8.242 -3.389 -0.370 1.00 0.00 N ATOM 374 NH2 ARG A 28 6.806 -2.925 1.330 1.00 0.00 N ATOM 0 H ARG A 28 2.750 -4.839 -1.210 1.00 0.00 H new ATOM 0 HA ARG A 28 3.890 -6.242 -3.408 1.00 0.00 H new ATOM 0 HB2 ARG A 28 5.178 -5.169 -0.869 1.00 0.00 H new ATOM 0 HB3 ARG A 28 6.023 -5.635 -2.332 1.00 0.00 H new ATOM 0 HG2 ARG A 28 4.717 -3.905 -3.614 1.00 0.00 H new ATOM 0 HG3 ARG A 28 3.924 -3.421 -2.128 1.00 0.00 H new ATOM 0 HD2 ARG A 28 6.940 -3.274 -2.602 1.00 0.00 H new ATOM 0 HD3 ARG A 28 5.841 -1.916 -2.741 1.00 0.00 H new ATOM 0 HE ARG A 28 5.225 -2.256 -0.361 1.00 0.00 H new ATOM 0 HH11 ARG A 28 8.442 -3.468 -1.367 1.00 0.00 H new ATOM 0 HH12 ARG A 28 8.963 -3.615 0.315 1.00 0.00 H new ATOM 0 HH21 ARG A 28 5.886 -2.641 1.666 1.00 0.00 H new ATOM 0 HH22 ARG A 28 7.543 -3.157 1.996 1.00 0.00 H new ATOM 388 N ALA A 29 5.010 -8.331 -2.428 1.00 0.00 N ATOM 389 CA ALA A 29 5.241 -9.730 -2.116 1.00 0.00 C ATOM 390 C ALA A 29 5.861 -9.898 -0.733 1.00 0.00 C ATOM 391 O ALA A 29 6.575 -9.017 -0.262 1.00 0.00 O ATOM 392 CB ALA A 29 6.111 -10.334 -3.211 1.00 0.00 C ATOM 0 H ALA A 29 5.559 -7.992 -3.218 1.00 0.00 H new ATOM 0 HA ALA A 29 4.290 -10.261 -2.085 1.00 0.00 H new ATOM 0 HB1 ALA A 29 6.294 -11.386 -2.991 1.00 0.00 H new ATOM 0 HB2 ALA A 29 5.601 -10.247 -4.170 1.00 0.00 H new ATOM 0 HB3 ALA A 29 7.061 -9.802 -3.256 1.00 0.00 H new ATOM 398 N THR A 30 5.654 -11.047 -0.089 1.00 0.00 N ATOM 399 CA THR A 30 6.170 -11.263 1.258 1.00 0.00 C ATOM 400 C THR A 30 7.714 -11.308 1.280 1.00 0.00 C ATOM 401 O THR A 30 8.344 -11.008 2.300 1.00 0.00 O ATOM 402 CB THR A 30 5.492 -12.493 1.867 1.00 0.00 C ATOM 403 OG1 THR A 30 4.086 -12.326 1.817 1.00 0.00 O ATOM 404 CG2 THR A 30 5.851 -12.643 3.345 1.00 0.00 C ATOM 0 H THR A 30 5.136 -11.836 -0.477 1.00 0.00 H new ATOM 0 HA THR A 30 5.918 -10.413 1.893 1.00 0.00 H new ATOM 0 HB THR A 30 5.825 -13.364 1.302 1.00 0.00 H new ATOM 0 HG1 THR A 30 3.649 -13.113 2.205 1.00 0.00 H new ATOM 0 HG21 THR A 30 5.356 -13.525 3.752 1.00 0.00 H new ATOM 0 HG22 THR A 30 6.931 -12.753 3.448 1.00 0.00 H new ATOM 0 HG23 THR A 30 5.523 -11.758 3.891 1.00 0.00 H new ATOM 412 N ALA A 31 8.346 -11.587 0.140 1.00 0.00 N ATOM 413 CA ALA A 31 9.779 -11.466 -0.068 1.00 0.00 C ATOM 414 C ALA A 31 10.233 -10.010 -0.174 1.00 0.00 C ATOM 415 O ALA A 31 11.399 -9.716 0.098 1.00 0.00 O ATOM 416 CB ALA A 31 10.118 -12.216 -1.352 1.00 0.00 C ATOM 0 H ALA A 31 7.852 -11.915 -0.690 1.00 0.00 H new ATOM 0 HA ALA A 31 10.301 -11.888 0.791 1.00 0.00 H new ATOM 0 HB1 ALA A 31 11.189 -12.147 -1.542 1.00 0.00 H new ATOM 0 HB2 ALA A 31 9.835 -13.263 -1.247 1.00 0.00 H new ATOM 0 HB3 ALA A 31 9.573 -11.774 -2.186 1.00 0.00 H new ATOM 422 N ASP A 32 9.355 -9.093 -0.574 1.00 0.00 N ATOM 423 CA ASP A 32 9.690 -7.694 -0.836 1.00 0.00 C ATOM 424 C ASP A 32 9.903 -6.919 0.455 1.00 0.00 C ATOM 425 O ASP A 32 10.751 -6.033 0.506 1.00 0.00 O ATOM 426 CB ASP A 32 8.626 -7.036 -1.719 1.00 0.00 C ATOM 427 CG ASP A 32 9.287 -6.010 -2.628 1.00 0.00 C ATOM 428 OD1 ASP A 32 10.176 -6.444 -3.398 1.00 0.00 O ATOM 429 OD2 ASP A 32 8.890 -4.831 -2.562 1.00 0.00 O ATOM 0 H ASP A 32 8.369 -9.306 -0.729 1.00 0.00 H new ATOM 0 HA ASP A 32 10.634 -7.673 -1.380 1.00 0.00 H new ATOM 0 HB2 ASP A 32 8.115 -7.791 -2.316 1.00 0.00 H new ATOM 0 HB3 ASP A 32 7.870 -6.555 -1.099 1.00 0.00 H new ATOM 434 N PHE A 33 9.290 -7.351 1.559 1.00 0.00 N ATOM 435 CA PHE A 33 9.645 -6.843 2.884 1.00 0.00 C ATOM 436 C PHE A 33 11.054 -7.269 3.308 1.00 0.00 C ATOM 437 O PHE A 33 11.532 -6.811 4.348 1.00 0.00 O ATOM 438 CB PHE A 33 8.604 -7.296 3.915 1.00 0.00 C ATOM 439 CG PHE A 33 7.190 -6.981 3.481 1.00 0.00 C ATOM 440 CD1 PHE A 33 6.677 -5.683 3.604 1.00 0.00 C ATOM 441 CD2 PHE A 33 6.429 -7.964 2.833 1.00 0.00 C ATOM 442 CE1 PHE A 33 5.406 -5.381 3.096 1.00 0.00 C ATOM 443 CE2 PHE A 33 5.181 -7.647 2.266 1.00 0.00 C ATOM 444 CZ PHE A 33 4.670 -6.346 2.391 1.00 0.00 C ATOM 0 H PHE A 33 8.547 -8.050 1.561 1.00 0.00 H new ATOM 0 HA PHE A 33 9.647 -5.754 2.833 1.00 0.00 H new ATOM 0 HB2 PHE A 33 8.701 -8.369 4.078 1.00 0.00 H new ATOM 0 HB3 PHE A 33 8.806 -6.809 4.869 1.00 0.00 H new ATOM 0 HD1 PHE A 33 7.261 -4.915 4.090 1.00 0.00 H new ATOM 0 HD2 PHE A 33 6.804 -8.975 2.768 1.00 0.00 H new ATOM 0 HE1 PHE A 33 4.989 -4.396 3.249 1.00 0.00 H new ATOM 0 HE2 PHE A 33 4.619 -8.402 1.737 1.00 0.00 H new ATOM 0 HZ PHE A 33 3.719 -6.090 1.949 1.00 0.00 H new ATOM 454 N ARG A 34 11.705 -8.169 2.557 1.00 0.00 N ATOM 455 CA ARG A 34 13.043 -8.679 2.846 1.00 0.00 C ATOM 456 C ARG A 34 14.069 -8.069 1.899 1.00 0.00 C ATOM 457 O ARG A 34 15.216 -7.877 2.315 1.00 0.00 O ATOM 458 CB ARG A 34 13.097 -10.216 2.761 1.00 0.00 C ATOM 459 CG ARG A 34 11.880 -10.961 3.342 1.00 0.00 C ATOM 460 CD ARG A 34 11.471 -10.541 4.758 1.00 0.00 C ATOM 461 NE ARG A 34 12.565 -10.641 5.733 1.00 0.00 N ATOM 462 CZ ARG A 34 12.505 -10.189 6.988 1.00 0.00 C ATOM 463 NH1 ARG A 34 11.386 -9.654 7.466 1.00 0.00 N ATOM 464 NH2 ARG A 34 13.580 -10.267 7.755 1.00 0.00 N ATOM 0 H ARG A 34 11.300 -8.570 1.711 1.00 0.00 H new ATOM 0 HA ARG A 34 13.286 -8.389 3.868 1.00 0.00 H new ATOM 0 HB2 ARG A 34 13.208 -10.500 1.714 1.00 0.00 H new ATOM 0 HB3 ARG A 34 13.992 -10.559 3.281 1.00 0.00 H new ATOM 0 HG2 ARG A 34 11.030 -10.810 2.676 1.00 0.00 H new ATOM 0 HG3 ARG A 34 12.096 -12.029 3.346 1.00 0.00 H new ATOM 0 HD2 ARG A 34 11.108 -9.514 4.734 1.00 0.00 H new ATOM 0 HD3 ARG A 34 10.641 -11.165 5.089 1.00 0.00 H new ATOM 0 HE ARG A 34 13.431 -11.087 5.430 1.00 0.00 H new ATOM 0 HH11 ARG A 34 10.560 -9.585 6.872 1.00 0.00 H new ATOM 0 HH12 ARG A 34 11.354 -9.313 8.427 1.00 0.00 H new ATOM 0 HH21 ARG A 34 14.442 -10.669 7.386 1.00 0.00 H new ATOM 0 HH22 ARG A 34 13.547 -9.925 8.715 1.00 0.00 H new ATOM 478 N GLN A 35 13.674 -7.734 0.663 1.00 0.00 N ATOM 479 CA GLN A 35 14.566 -7.141 -0.321 1.00 0.00 C ATOM 480 C GLN A 35 14.413 -5.622 -0.496 1.00 0.00 C ATOM 481 O GLN A 35 15.433 -4.961 -0.673 1.00 0.00 O ATOM 482 CB GLN A 35 14.511 -7.919 -1.635 1.00 0.00 C ATOM 483 CG GLN A 35 13.177 -7.951 -2.374 1.00 0.00 C ATOM 484 CD GLN A 35 13.306 -8.631 -3.732 1.00 0.00 C ATOM 485 OE1 GLN A 35 13.849 -8.066 -4.672 1.00 0.00 O ATOM 486 NE2 GLN A 35 12.808 -9.850 -3.862 1.00 0.00 N ATOM 0 H GLN A 35 12.722 -7.871 0.324 1.00 0.00 H new ATOM 0 HA GLN A 35 15.575 -7.238 0.080 1.00 0.00 H new ATOM 0 HB2 GLN A 35 15.259 -7.499 -2.307 1.00 0.00 H new ATOM 0 HB3 GLN A 35 14.808 -8.948 -1.431 1.00 0.00 H new ATOM 0 HG2 GLN A 35 12.438 -8.479 -1.771 1.00 0.00 H new ATOM 0 HG3 GLN A 35 12.810 -6.933 -2.509 1.00 0.00 H new ATOM 0 HE21 GLN A 35 12.359 -10.305 -3.067 1.00 0.00 H new ATOM 0 HE22 GLN A 35 12.873 -10.335 -4.757 1.00 0.00 H new ATOM 495 N VAL A 36 13.212 -5.048 -0.355 1.00 0.00 N ATOM 496 CA VAL A 36 12.965 -3.602 -0.443 1.00 0.00 C ATOM 497 C VAL A 36 12.674 -2.976 0.941 1.00 0.00 C ATOM 498 O VAL A 36 13.220 -1.916 1.266 1.00 0.00 O ATOM 499 CB VAL A 36 11.848 -3.311 -1.471 1.00 0.00 C ATOM 500 CG1 VAL A 36 11.607 -1.807 -1.627 1.00 0.00 C ATOM 501 CG2 VAL A 36 12.171 -3.846 -2.873 1.00 0.00 C ATOM 0 H VAL A 36 12.366 -5.587 -0.172 1.00 0.00 H new ATOM 0 HA VAL A 36 13.877 -3.122 -0.799 1.00 0.00 H new ATOM 0 HB VAL A 36 10.968 -3.816 -1.074 1.00 0.00 H new ATOM 0 HG11 VAL A 36 10.815 -1.639 -2.357 1.00 0.00 H new ATOM 0 HG12 VAL A 36 11.311 -1.385 -0.667 1.00 0.00 H new ATOM 0 HG13 VAL A 36 12.523 -1.325 -1.968 1.00 0.00 H new ATOM 0 HG21 VAL A 36 11.350 -3.611 -3.550 1.00 0.00 H new ATOM 0 HG22 VAL A 36 13.087 -3.381 -3.238 1.00 0.00 H new ATOM 0 HG23 VAL A 36 12.306 -4.927 -2.828 1.00 0.00 H new ATOM 511 N GLY A 37 11.847 -3.606 1.786 1.00 0.00 N ATOM 512 CA GLY A 37 11.493 -3.097 3.116 1.00 0.00 C ATOM 513 C GLY A 37 9.996 -2.805 3.210 1.00 0.00 C ATOM 514 O GLY A 37 9.229 -3.439 2.485 1.00 0.00 O ATOM 0 H GLY A 37 11.400 -4.495 1.561 1.00 0.00 H new ATOM 0 HA2 GLY A 37 11.773 -3.827 3.875 1.00 0.00 H new ATOM 0 HA3 GLY A 37 12.058 -2.188 3.324 1.00 0.00 H new ATOM 518 N SER A 38 9.563 -1.890 4.088 1.00 0.00 N ATOM 519 CA SER A 38 8.151 -1.505 4.243 1.00 0.00 C ATOM 520 C SER A 38 7.995 0.005 4.519 1.00 0.00 C ATOM 521 O SER A 38 8.940 0.602 5.034 1.00 0.00 O ATOM 522 CB SER A 38 7.473 -2.329 5.356 1.00 0.00 C ATOM 523 OG SER A 38 8.239 -3.433 5.826 1.00 0.00 O ATOM 0 H SER A 38 10.190 -1.390 4.719 1.00 0.00 H new ATOM 0 HA SER A 38 7.654 -1.722 3.298 1.00 0.00 H new ATOM 0 HB2 SER A 38 7.256 -1.670 6.197 1.00 0.00 H new ATOM 0 HB3 SER A 38 6.517 -2.699 4.985 1.00 0.00 H new ATOM 0 HG SER A 38 7.741 -3.901 6.529 1.00 0.00 H new ATOM 529 N PRO A 39 6.824 0.616 4.257 1.00 0.00 N ATOM 530 CA PRO A 39 6.570 2.044 4.450 1.00 0.00 C ATOM 531 C PRO A 39 6.430 2.427 5.930 1.00 0.00 C ATOM 532 O PRO A 39 5.676 1.815 6.691 1.00 0.00 O ATOM 533 CB PRO A 39 5.297 2.328 3.645 1.00 0.00 C ATOM 534 CG PRO A 39 4.543 1.001 3.663 1.00 0.00 C ATOM 535 CD PRO A 39 5.670 -0.022 3.643 1.00 0.00 C ATOM 0 HA PRO A 39 7.408 2.650 4.106 1.00 0.00 H new ATOM 0 HB2 PRO A 39 4.709 3.127 4.097 1.00 0.00 H new ATOM 0 HB3 PRO A 39 5.530 2.641 2.627 1.00 0.00 H new ATOM 0 HG2 PRO A 39 3.920 0.901 4.552 1.00 0.00 H new ATOM 0 HG3 PRO A 39 3.886 0.897 2.800 1.00 0.00 H new ATOM 0 HD2 PRO A 39 5.387 -0.920 4.191 1.00 0.00 H new ATOM 0 HD3 PRO A 39 5.895 -0.330 2.622 1.00 0.00 H new ATOM 543 N ASN A 40 7.186 3.442 6.369 1.00 0.00 N ATOM 544 CA ASN A 40 7.024 4.050 7.689 1.00 0.00 C ATOM 545 C ASN A 40 5.902 5.068 7.597 1.00 0.00 C ATOM 546 O ASN A 40 6.125 6.232 7.262 1.00 0.00 O ATOM 547 CB ASN A 40 8.303 4.706 8.244 1.00 0.00 C ATOM 548 CG ASN A 40 8.013 5.315 9.617 1.00 0.00 C ATOM 549 OD1 ASN A 40 7.414 6.379 9.744 1.00 0.00 O ATOM 550 ND2 ASN A 40 8.347 4.625 10.690 1.00 0.00 N ATOM 0 H ASN A 40 7.930 3.864 5.813 1.00 0.00 H new ATOM 0 HA ASN A 40 6.788 3.254 8.395 1.00 0.00 H new ATOM 0 HB2 ASN A 40 9.098 3.965 8.324 1.00 0.00 H new ATOM 0 HB3 ASN A 40 8.654 5.478 7.559 1.00 0.00 H new ATOM 0 HD21 ASN A 40 8.108 4.976 11.617 1.00 0.00 H new ATOM 0 HD22 ASN A 40 8.845 3.740 10.593 1.00 0.00 H new ATOM 557 N ILE A 41 4.692 4.647 7.931 1.00 0.00 N ATOM 558 CA ILE A 41 3.549 5.549 8.058 1.00 0.00 C ATOM 559 C ILE A 41 3.176 5.747 9.532 1.00 0.00 C ATOM 560 O ILE A 41 2.172 6.377 9.839 1.00 0.00 O ATOM 561 CB ILE A 41 2.402 5.079 7.145 1.00 0.00 C ATOM 562 CG1 ILE A 41 1.849 3.677 7.512 1.00 0.00 C ATOM 563 CG2 ILE A 41 2.900 5.126 5.678 1.00 0.00 C ATOM 564 CD1 ILE A 41 0.327 3.738 7.698 1.00 0.00 C ATOM 0 H ILE A 41 4.471 3.670 8.123 1.00 0.00 H new ATOM 0 HA ILE A 41 3.808 6.547 7.704 1.00 0.00 H new ATOM 0 HB ILE A 41 1.558 5.755 7.284 1.00 0.00 H new ATOM 0 HG12 ILE A 41 2.098 2.963 6.727 1.00 0.00 H new ATOM 0 HG13 ILE A 41 2.320 3.321 8.428 1.00 0.00 H new ATOM 0 HG21 ILE A 41 2.102 4.797 5.012 1.00 0.00 H new ATOM 0 HG22 ILE A 41 3.187 6.146 5.424 1.00 0.00 H new ATOM 0 HG23 ILE A 41 3.762 4.468 5.565 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -0.048 2.747 7.955 1.00 0.00 H new ATOM 0 HD12 ILE A 41 0.086 4.437 8.499 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -0.140 4.073 6.772 1.00 0.00 H new ATOM 576 N LYS A 42 3.978 5.199 10.453 1.00 0.00 N ATOM 577 CA LYS A 42 3.648 5.149 11.867 1.00 0.00 C ATOM 578 C LYS A 42 3.567 6.536 12.491 1.00 0.00 C ATOM 579 O LYS A 42 2.710 6.742 13.342 1.00 0.00 O ATOM 580 CB LYS A 42 4.616 4.209 12.595 1.00 0.00 C ATOM 581 CG LYS A 42 3.935 3.333 13.658 1.00 0.00 C ATOM 582 CD LYS A 42 3.409 4.117 14.869 1.00 0.00 C ATOM 583 CE LYS A 42 3.468 3.305 16.169 1.00 0.00 C ATOM 584 NZ LYS A 42 4.861 3.135 16.636 1.00 0.00 N ATOM 0 H LYS A 42 4.879 4.777 10.228 1.00 0.00 H new ATOM 0 HA LYS A 42 2.645 4.736 11.977 1.00 0.00 H new ATOM 0 HB2 LYS A 42 5.104 3.565 11.863 1.00 0.00 H new ATOM 0 HB3 LYS A 42 5.398 4.802 13.070 1.00 0.00 H new ATOM 0 HG2 LYS A 42 3.105 2.798 13.196 1.00 0.00 H new ATOM 0 HG3 LYS A 42 4.645 2.582 14.005 1.00 0.00 H new ATOM 0 HD2 LYS A 42 3.993 5.029 14.988 1.00 0.00 H new ATOM 0 HD3 LYS A 42 2.379 4.420 14.681 1.00 0.00 H new ATOM 0 HE2 LYS A 42 2.883 3.806 16.940 1.00 0.00 H new ATOM 0 HE3 LYS A 42 3.014 2.327 16.010 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 4.859 2.830 17.630 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 5.337 2.416 16.054 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 5.368 4.039 16.552 1.00 0.00 H new ATOM 598 N GLY A 43 4.355 7.505 12.016 1.00 0.00 N ATOM 599 CA GLY A 43 4.261 8.881 12.492 1.00 0.00 C ATOM 600 C GLY A 43 2.933 9.555 12.146 1.00 0.00 C ATOM 601 O GLY A 43 2.669 10.654 12.635 1.00 0.00 O ATOM 0 H GLY A 43 5.066 7.357 11.300 1.00 0.00 H new ATOM 0 HA2 GLY A 43 4.395 8.893 13.574 1.00 0.00 H new ATOM 0 HA3 GLY A 43 5.077 9.462 12.063 1.00 0.00 H new ATOM 605 N LEU A 44 2.109 8.945 11.289 1.00 0.00 N ATOM 606 CA LEU A 44 0.763 9.413 10.982 1.00 0.00 C ATOM 607 C LEU A 44 -0.256 8.863 11.982 1.00 0.00 C ATOM 608 O LEU A 44 -1.403 9.300 11.951 1.00 0.00 O ATOM 609 CB LEU A 44 0.361 8.993 9.556 1.00 0.00 C ATOM 610 CG LEU A 44 1.384 9.349 8.463 1.00 0.00 C ATOM 611 CD1 LEU A 44 0.848 8.901 7.103 1.00 0.00 C ATOM 612 CD2 LEU A 44 1.713 10.845 8.424 1.00 0.00 C ATOM 0 H LEU A 44 2.367 8.098 10.783 1.00 0.00 H new ATOM 0 HA LEU A 44 0.767 10.501 11.053 1.00 0.00 H new ATOM 0 HB2 LEU A 44 0.197 7.915 9.543 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -0.591 9.463 9.309 1.00 0.00 H new ATOM 0 HG LEU A 44 2.311 8.826 8.700 1.00 0.00 H new ATOM 0 HD11 LEU A 44 1.571 9.152 6.327 1.00 0.00 H new ATOM 0 HD12 LEU A 44 0.686 7.823 7.113 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -0.095 9.408 6.899 1.00 0.00 H new ATOM 0 HD21 LEU A 44 2.439 11.037 7.634 1.00 0.00 H new ATOM 0 HD22 LEU A 44 0.804 11.413 8.227 1.00 0.00 H new ATOM 0 HD23 LEU A 44 2.130 11.151 9.383 1.00 0.00 H new ATOM 624 N GLY A 45 0.123 7.896 12.823 1.00 0.00 N ATOM 625 CA GLY A 45 -0.751 7.271 13.802 1.00 0.00 C ATOM 626 C GLY A 45 -0.448 5.791 14.009 1.00 0.00 C ATOM 627 O GLY A 45 -0.575 5.285 15.125 1.00 0.00 O ATOM 0 H GLY A 45 1.072 7.522 12.837 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -0.654 7.793 14.754 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -1.787 7.383 13.481 1.00 0.00 H new ATOM 631 N LYS A 46 -0.139 5.054 12.936 1.00 0.00 N ATOM 632 CA LYS A 46 -0.332 3.603 12.909 1.00 0.00 C ATOM 633 C LYS A 46 0.485 2.950 11.816 1.00 0.00 C ATOM 634 O LYS A 46 0.972 3.612 10.902 1.00 0.00 O ATOM 635 CB LYS A 46 -1.826 3.259 12.737 1.00 0.00 C ATOM 636 CG LYS A 46 -2.590 4.057 11.670 1.00 0.00 C ATOM 637 CD LYS A 46 -2.445 3.617 10.204 1.00 0.00 C ATOM 638 CE LYS A 46 -3.053 4.632 9.221 1.00 0.00 C ATOM 639 NZ LYS A 46 -4.438 5.033 9.548 1.00 0.00 N ATOM 0 H LYS A 46 0.246 5.441 12.075 1.00 0.00 H new ATOM 0 HA LYS A 46 0.015 3.209 13.864 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -1.907 2.199 12.495 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -2.323 3.406 13.696 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -3.649 4.028 11.925 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -2.274 5.098 11.740 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -1.389 3.480 9.972 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -2.930 2.650 10.069 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -2.424 5.522 9.199 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -3.037 4.205 8.218 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -5.020 5.007 8.686 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -4.832 4.377 10.252 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -4.438 5.998 9.936 1.00 0.00 H new ATOM 653 N LYS A 47 0.688 1.643 11.931 1.00 0.00 N ATOM 654 CA LYS A 47 1.455 0.902 10.931 1.00 0.00 C ATOM 655 C LYS A 47 0.540 0.564 9.754 1.00 0.00 C ATOM 656 O LYS A 47 -0.685 0.624 9.878 1.00 0.00 O ATOM 657 CB LYS A 47 2.098 -0.346 11.555 1.00 0.00 C ATOM 658 CG LYS A 47 3.444 -0.712 10.901 1.00 0.00 C ATOM 659 CD LYS A 47 4.595 0.247 11.264 1.00 0.00 C ATOM 660 CE LYS A 47 5.768 -0.393 12.021 1.00 0.00 C ATOM 661 NZ LYS A 47 5.398 -0.947 13.339 1.00 0.00 N ATOM 0 H LYS A 47 0.335 1.075 12.701 1.00 0.00 H new ATOM 0 HA LYS A 47 2.275 1.515 10.558 1.00 0.00 H new ATOM 0 HB2 LYS A 47 2.251 -0.176 12.621 1.00 0.00 H new ATOM 0 HB3 LYS A 47 1.412 -1.188 11.461 1.00 0.00 H new ATOM 0 HG2 LYS A 47 3.719 -1.724 11.200 1.00 0.00 H new ATOM 0 HG3 LYS A 47 3.320 -0.722 9.818 1.00 0.00 H new ATOM 0 HD2 LYS A 47 4.977 0.694 10.346 1.00 0.00 H new ATOM 0 HD3 LYS A 47 4.192 1.059 11.870 1.00 0.00 H new ATOM 0 HE2 LYS A 47 6.192 -1.189 11.409 1.00 0.00 H new ATOM 0 HE3 LYS A 47 6.550 0.354 12.158 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 6.239 -1.361 13.790 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 5.021 -0.188 13.941 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 4.674 -1.683 13.215 1.00 0.00 H new ATOM 675 N ALA A 48 1.130 0.210 8.614 1.00 0.00 N ATOM 676 CA ALA A 48 0.396 -0.317 7.475 1.00 0.00 C ATOM 677 C ALA A 48 -0.114 -1.734 7.771 1.00 0.00 C ATOM 678 O ALA A 48 0.250 -2.355 8.776 1.00 0.00 O ATOM 679 CB ALA A 48 1.323 -0.321 6.253 1.00 0.00 C ATOM 0 H ALA A 48 2.135 0.283 8.458 1.00 0.00 H new ATOM 0 HA ALA A 48 -0.471 0.312 7.275 1.00 0.00 H new ATOM 0 HB1 ALA A 48 0.786 -0.714 5.390 1.00 0.00 H new ATOM 0 HB2 ALA A 48 1.652 0.697 6.043 1.00 0.00 H new ATOM 0 HB3 ALA A 48 2.191 -0.948 6.457 1.00 0.00 H new ATOM 685 N VAL A 49 -0.921 -2.267 6.859 1.00 0.00 N ATOM 686 CA VAL A 49 -1.203 -3.691 6.735 1.00 0.00 C ATOM 687 C VAL A 49 -0.362 -4.187 5.548 1.00 0.00 C ATOM 688 O VAL A 49 -0.128 -3.426 4.604 1.00 0.00 O ATOM 689 CB VAL A 49 -2.722 -3.860 6.515 1.00 0.00 C ATOM 690 CG1 VAL A 49 -3.138 -5.325 6.310 1.00 0.00 C ATOM 691 CG2 VAL A 49 -3.553 -3.298 7.686 1.00 0.00 C ATOM 0 H VAL A 49 -1.411 -1.702 6.165 1.00 0.00 H new ATOM 0 HA VAL A 49 -0.944 -4.272 7.620 1.00 0.00 H new ATOM 0 HB VAL A 49 -2.928 -3.293 5.607 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -4.216 -5.380 6.161 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -2.629 -5.729 5.434 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -2.864 -5.908 7.189 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -4.614 -3.442 7.481 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -3.287 -3.820 8.605 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -3.347 -2.234 7.801 1.00 0.00 H new ATOM 701 N SER A 50 0.061 -5.454 5.560 1.00 0.00 N ATOM 702 CA SER A 50 0.769 -6.091 4.456 1.00 0.00 C ATOM 703 C SER A 50 0.030 -7.375 4.086 1.00 0.00 C ATOM 704 O SER A 50 -0.147 -8.259 4.931 1.00 0.00 O ATOM 705 CB SER A 50 2.246 -6.315 4.821 1.00 0.00 C ATOM 706 OG SER A 50 2.418 -6.894 6.105 1.00 0.00 O ATOM 0 H SER A 50 -0.084 -6.075 6.356 1.00 0.00 H new ATOM 0 HA SER A 50 0.780 -5.448 3.576 1.00 0.00 H new ATOM 0 HB2 SER A 50 2.706 -6.961 4.073 1.00 0.00 H new ATOM 0 HB3 SER A 50 2.772 -5.361 4.785 1.00 0.00 H new ATOM 0 HG SER A 50 1.695 -7.533 6.275 1.00 0.00 H new ATOM 712 N THR A 51 -0.479 -7.480 2.859 1.00 0.00 N ATOM 713 CA THR A 51 -1.154 -8.666 2.340 1.00 0.00 C ATOM 714 C THR A 51 -0.947 -8.666 0.836 1.00 0.00 C ATOM 715 O THR A 51 -1.556 -7.861 0.138 1.00 0.00 O ATOM 716 CB THR A 51 -2.647 -8.654 2.733 1.00 0.00 C ATOM 717 OG1 THR A 51 -2.734 -8.831 4.135 1.00 0.00 O ATOM 718 CG2 THR A 51 -3.518 -9.755 2.101 1.00 0.00 C ATOM 0 H THR A 51 -0.431 -6.720 2.180 1.00 0.00 H new ATOM 0 HA THR A 51 -0.743 -9.582 2.765 1.00 0.00 H new ATOM 0 HB THR A 51 -3.029 -7.701 2.367 1.00 0.00 H new ATOM 0 HG1 THR A 51 -1.837 -8.781 4.527 1.00 0.00 H new ATOM 0 HG21 THR A 51 -4.546 -9.649 2.447 1.00 0.00 H new ATOM 0 HG22 THR A 51 -3.490 -9.663 1.015 1.00 0.00 H new ATOM 0 HG23 THR A 51 -3.136 -10.733 2.392 1.00 0.00 H new ATOM 726 N VAL A 52 -0.083 -9.558 0.340 1.00 0.00 N ATOM 727 CA VAL A 52 0.164 -9.687 -1.086 1.00 0.00 C ATOM 728 C VAL A 52 -1.169 -9.976 -1.768 1.00 0.00 C ATOM 729 O VAL A 52 -1.817 -10.970 -1.429 1.00 0.00 O ATOM 730 CB VAL A 52 1.204 -10.784 -1.413 1.00 0.00 C ATOM 731 CG1 VAL A 52 1.841 -10.491 -2.772 1.00 0.00 C ATOM 732 CG2 VAL A 52 2.249 -11.000 -0.317 1.00 0.00 C ATOM 0 H VAL A 52 0.457 -10.203 0.917 1.00 0.00 H new ATOM 0 HA VAL A 52 0.591 -8.756 -1.457 1.00 0.00 H new ATOM 0 HB VAL A 52 0.670 -11.733 -1.462 1.00 0.00 H new ATOM 0 HG11 VAL A 52 2.574 -11.263 -3.004 1.00 0.00 H new ATOM 0 HG12 VAL A 52 1.069 -10.481 -3.541 1.00 0.00 H new ATOM 0 HG13 VAL A 52 2.335 -9.520 -2.741 1.00 0.00 H new ATOM 0 HG21 VAL A 52 2.941 -11.785 -0.623 1.00 0.00 H new ATOM 0 HG22 VAL A 52 2.800 -10.074 -0.153 1.00 0.00 H new ATOM 0 HG23 VAL A 52 1.752 -11.295 0.607 1.00 0.00 H new ATOM 742 N TYR A 53 -1.575 -9.120 -2.704 1.00 0.00 N ATOM 743 CA TYR A 53 -2.686 -9.438 -3.584 1.00 0.00 C ATOM 744 C TYR A 53 -2.299 -10.661 -4.413 1.00 0.00 C ATOM 745 O TYR A 53 -1.138 -10.818 -4.810 1.00 0.00 O ATOM 746 CB TYR A 53 -3.045 -8.217 -4.443 1.00 0.00 C ATOM 747 CG TYR A 53 -4.118 -8.451 -5.494 1.00 0.00 C ATOM 748 CD1 TYR A 53 -5.294 -9.171 -5.195 1.00 0.00 C ATOM 749 CD2 TYR A 53 -3.939 -7.933 -6.790 1.00 0.00 C ATOM 750 CE1 TYR A 53 -6.249 -9.413 -6.199 1.00 0.00 C ATOM 751 CE2 TYR A 53 -4.910 -8.144 -7.786 1.00 0.00 C ATOM 752 CZ TYR A 53 -6.058 -8.909 -7.505 1.00 0.00 C ATOM 753 OH TYR A 53 -6.976 -9.158 -8.478 1.00 0.00 O ATOM 0 H TYR A 53 -1.151 -8.207 -2.868 1.00 0.00 H new ATOM 0 HA TYR A 53 -3.584 -9.682 -3.016 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -3.376 -7.415 -3.783 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -2.141 -7.867 -4.942 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -5.461 -9.537 -4.193 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -3.048 -7.368 -7.022 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -7.134 -9.988 -5.970 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -4.774 -7.718 -8.769 1.00 0.00 H new ATOM 0 HH TYR A 53 -6.688 -8.736 -9.315 1.00 0.00 H new ATOM 763 N ASN A 54 -3.268 -11.532 -4.665 1.00 0.00 N ATOM 764 CA ASN A 54 -3.143 -12.705 -5.509 1.00 0.00 C ATOM 765 C ASN A 54 -4.417 -12.781 -6.340 1.00 0.00 C ATOM 766 O ASN A 54 -5.460 -13.221 -5.860 1.00 0.00 O ATOM 767 CB ASN A 54 -2.836 -13.982 -4.701 1.00 0.00 C ATOM 768 CG ASN A 54 -3.883 -14.392 -3.670 1.00 0.00 C ATOM 769 OD1 ASN A 54 -4.090 -13.703 -2.674 1.00 0.00 O ATOM 770 ND2 ASN A 54 -4.499 -15.552 -3.824 1.00 0.00 N ATOM 0 H ASN A 54 -4.202 -11.432 -4.267 1.00 0.00 H new ATOM 0 HA ASN A 54 -2.284 -12.623 -6.174 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -2.702 -14.807 -5.401 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -1.885 -13.843 -4.187 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -5.152 -15.881 -3.113 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -4.321 -16.118 -4.654 1.00 0.00 H new ATOM 777 N GLY A 55 -4.351 -12.274 -7.574 1.00 0.00 N ATOM 778 CA GLY A 55 -5.483 -12.216 -8.494 1.00 0.00 C ATOM 779 C GLY A 55 -6.016 -13.595 -8.883 1.00 0.00 C ATOM 780 O GLY A 55 -7.131 -13.691 -9.401 1.00 0.00 O ATOM 0 H GLY A 55 -3.493 -11.886 -7.966 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -6.286 -11.640 -8.035 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -5.183 -11.682 -9.396 1.00 0.00 H new ATOM 784 N GLU A 56 -5.265 -14.659 -8.584 1.00 0.00 N ATOM 785 CA GLU A 56 -5.718 -16.040 -8.650 1.00 0.00 C ATOM 786 C GLU A 56 -7.000 -16.231 -7.830 1.00 0.00 C ATOM 787 O GLU A 56 -7.884 -16.979 -8.255 1.00 0.00 O ATOM 788 CB GLU A 56 -4.596 -16.960 -8.138 1.00 0.00 C ATOM 789 CG GLU A 56 -5.055 -18.423 -8.076 1.00 0.00 C ATOM 790 CD GLU A 56 -3.967 -19.401 -7.637 1.00 0.00 C ATOM 791 OE1 GLU A 56 -3.172 -19.068 -6.737 1.00 0.00 O ATOM 792 OE2 GLU A 56 -4.022 -20.573 -8.094 1.00 0.00 O ATOM 0 H GLU A 56 -4.295 -14.574 -8.280 1.00 0.00 H new ATOM 0 HA GLU A 56 -5.950 -16.297 -9.684 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -3.728 -16.877 -8.793 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -4.280 -16.634 -7.147 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -5.896 -18.499 -7.387 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -5.420 -18.720 -9.059 1.00 0.00 H new ATOM 799 N ASP A 57 -7.118 -15.587 -6.665 1.00 0.00 N ATOM 800 CA ASP A 57 -8.198 -15.843 -5.717 1.00 0.00 C ATOM 801 C ASP A 57 -8.775 -14.530 -5.210 1.00 0.00 C ATOM 802 O ASP A 57 -8.527 -14.108 -4.081 1.00 0.00 O ATOM 803 CB ASP A 57 -7.729 -16.778 -4.602 1.00 0.00 C ATOM 804 CG ASP A 57 -8.860 -17.324 -3.738 1.00 0.00 C ATOM 805 OD1 ASP A 57 -10.058 -17.102 -4.050 1.00 0.00 O ATOM 806 OD2 ASP A 57 -8.533 -18.024 -2.754 1.00 0.00 O ATOM 0 H ASP A 57 -6.462 -14.870 -6.355 1.00 0.00 H new ATOM 0 HA ASP A 57 -9.012 -16.364 -6.221 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -7.188 -17.614 -5.046 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -7.024 -16.243 -3.965 1.00 0.00 H new ATOM 811 N LYS A 58 -9.540 -13.869 -6.083 1.00 0.00 N ATOM 812 CA LYS A 58 -10.204 -12.595 -5.821 1.00 0.00 C ATOM 813 C LYS A 58 -10.852 -12.532 -4.430 1.00 0.00 C ATOM 814 O LYS A 58 -10.472 -11.655 -3.650 1.00 0.00 O ATOM 815 CB LYS A 58 -11.202 -12.245 -6.947 1.00 0.00 C ATOM 816 CG LYS A 58 -10.596 -11.612 -8.206 1.00 0.00 C ATOM 817 CD LYS A 58 -10.276 -10.115 -8.053 1.00 0.00 C ATOM 818 CE LYS A 58 -9.949 -9.476 -9.413 1.00 0.00 C ATOM 819 NZ LYS A 58 -11.136 -8.980 -10.149 1.00 0.00 N ATOM 0 H LYS A 58 -9.718 -14.221 -7.024 1.00 0.00 H new ATOM 0 HA LYS A 58 -9.428 -11.830 -5.818 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -11.726 -13.156 -7.238 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -11.950 -11.562 -6.544 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -9.682 -12.145 -8.466 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -11.289 -11.743 -9.037 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -11.126 -9.603 -7.602 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -9.431 -9.988 -7.376 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -9.259 -8.647 -9.256 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -9.431 -10.209 -10.032 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -10.835 -8.564 -11.053 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -11.787 -9.770 -10.331 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -11.620 -8.257 -9.580 1.00 0.00 H new ATOM 833 N PRO A 59 -11.835 -13.382 -4.104 1.00 0.00 N ATOM 834 CA PRO A 59 -12.516 -13.323 -2.823 1.00 0.00 C ATOM 835 C PRO A 59 -11.581 -13.800 -1.709 1.00 0.00 C ATOM 836 O PRO A 59 -11.461 -13.131 -0.678 1.00 0.00 O ATOM 837 CB PRO A 59 -13.756 -14.202 -3.001 1.00 0.00 C ATOM 838 CG PRO A 59 -13.323 -15.234 -4.041 1.00 0.00 C ATOM 839 CD PRO A 59 -12.356 -14.456 -4.927 1.00 0.00 C ATOM 0 HA PRO A 59 -12.809 -12.315 -2.529 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -14.048 -14.676 -2.064 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -14.612 -13.622 -3.345 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -12.840 -16.094 -3.577 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -14.172 -15.613 -4.609 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -11.552 -15.099 -5.285 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -12.864 -14.062 -5.807 1.00 0.00 H new ATOM 847 N GLY A 60 -10.881 -14.921 -1.901 1.00 0.00 N ATOM 848 CA GLY A 60 -10.065 -15.571 -0.889 1.00 0.00 C ATOM 849 C GLY A 60 -8.757 -14.867 -0.574 1.00 0.00 C ATOM 850 O GLY A 60 -7.942 -15.450 0.136 1.00 0.00 O ATOM 0 H GLY A 60 -10.871 -15.411 -2.795 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -10.647 -15.653 0.029 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -9.844 -16.586 -1.218 1.00 0.00 H new ATOM 854 N PHE A 61 -8.570 -13.632 -1.034 1.00 0.00 N ATOM 855 CA PHE A 61 -7.514 -12.718 -0.627 1.00 0.00 C ATOM 856 C PHE A 61 -8.000 -11.755 0.457 1.00 0.00 C ATOM 857 O PHE A 61 -7.233 -11.372 1.344 1.00 0.00 O ATOM 858 CB PHE A 61 -7.063 -11.952 -1.880 1.00 0.00 C ATOM 859 CG PHE A 61 -6.593 -10.528 -1.648 1.00 0.00 C ATOM 860 CD1 PHE A 61 -5.306 -10.265 -1.148 1.00 0.00 C ATOM 861 CD2 PHE A 61 -7.466 -9.461 -1.924 1.00 0.00 C ATOM 862 CE1 PHE A 61 -4.884 -8.930 -0.981 1.00 0.00 C ATOM 863 CE2 PHE A 61 -7.045 -8.133 -1.778 1.00 0.00 C ATOM 864 CZ PHE A 61 -5.741 -7.871 -1.325 1.00 0.00 C ATOM 0 H PHE A 61 -9.185 -13.224 -1.738 1.00 0.00 H new ATOM 0 HA PHE A 61 -6.680 -13.274 -0.197 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -6.254 -12.509 -2.352 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -7.891 -11.931 -2.588 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -4.645 -11.080 -0.893 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -8.474 -9.668 -2.253 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -3.900 -8.721 -0.588 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -7.716 -7.319 -2.011 1.00 0.00 H new ATOM 0 HZ PHE A 61 -5.396 -6.851 -1.241 1.00 0.00 H new ATOM 874 N LEU A 62 -9.280 -11.379 0.433 1.00 0.00 N ATOM 875 CA LEU A 62 -9.846 -10.372 1.333 1.00 0.00 C ATOM 876 C LEU A 62 -9.864 -10.848 2.792 1.00 0.00 C ATOM 877 O LEU A 62 -10.168 -10.069 3.694 1.00 0.00 O ATOM 878 CB LEU A 62 -11.261 -9.991 0.861 1.00 0.00 C ATOM 879 CG LEU A 62 -11.278 -9.327 -0.533 1.00 0.00 C ATOM 880 CD1 LEU A 62 -12.700 -9.345 -1.090 1.00 0.00 C ATOM 881 CD2 LEU A 62 -10.752 -7.882 -0.519 1.00 0.00 C ATOM 0 H LEU A 62 -9.960 -11.769 -0.219 1.00 0.00 H new ATOM 0 HA LEU A 62 -9.206 -9.490 1.298 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -11.883 -10.886 0.838 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -11.708 -9.311 1.586 1.00 0.00 H new ATOM 0 HG LEU A 62 -10.607 -9.905 -1.168 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -12.711 -8.876 -2.074 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -13.044 -10.376 -1.175 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -13.361 -8.796 -0.419 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -10.790 -7.471 -1.528 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -11.371 -7.276 0.143 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -9.722 -7.873 -0.162 1.00 0.00 H new ATOM 893 N LYS A 63 -9.527 -12.121 3.052 1.00 0.00 N ATOM 894 CA LYS A 63 -9.573 -12.756 4.361 1.00 0.00 C ATOM 895 C LYS A 63 -8.702 -12.029 5.367 1.00 0.00 C ATOM 896 O LYS A 63 -8.938 -12.119 6.568 1.00 0.00 O ATOM 897 CB LYS A 63 -9.264 -14.268 4.284 1.00 0.00 C ATOM 898 CG LYS A 63 -8.253 -14.757 3.227 1.00 0.00 C ATOM 899 CD LYS A 63 -6.876 -14.103 3.316 1.00 0.00 C ATOM 900 CE LYS A 63 -5.839 -14.680 2.339 1.00 0.00 C ATOM 901 NZ LYS A 63 -5.196 -15.933 2.784 1.00 0.00 N ATOM 0 H LYS A 63 -9.203 -12.754 2.321 1.00 0.00 H new ATOM 0 HA LYS A 63 -10.598 -12.676 4.724 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -8.900 -14.583 5.262 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -10.205 -14.791 4.111 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -8.136 -15.836 3.327 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -8.666 -14.572 2.235 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -6.981 -13.035 3.127 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -6.500 -14.212 4.333 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -6.325 -14.859 1.380 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -5.065 -13.932 2.170 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -4.514 -16.248 2.065 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -4.700 -15.768 3.683 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -5.921 -16.667 2.918 1.00 0.00 H new ATOM 915 N LYS A 64 -7.690 -11.310 4.886 1.00 0.00 N ATOM 916 CA LYS A 64 -6.762 -10.597 5.734 1.00 0.00 C ATOM 917 C LYS A 64 -7.222 -9.188 6.055 1.00 0.00 C ATOM 918 O LYS A 64 -6.675 -8.598 6.981 1.00 0.00 O ATOM 919 CB LYS A 64 -5.396 -10.571 5.050 1.00 0.00 C ATOM 920 CG LYS A 64 -4.641 -11.874 5.341 1.00 0.00 C ATOM 921 CD LYS A 64 -3.674 -11.676 6.525 1.00 0.00 C ATOM 922 CE LYS A 64 -3.004 -12.998 6.913 1.00 0.00 C ATOM 923 NZ LYS A 64 -1.981 -12.848 7.969 1.00 0.00 N ATOM 0 H LYS A 64 -7.497 -11.211 3.889 1.00 0.00 H new ATOM 0 HA LYS A 64 -6.702 -11.122 6.688 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -5.521 -10.445 3.974 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -4.818 -9.718 5.406 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -5.350 -12.670 5.570 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -4.086 -12.186 4.457 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -2.913 -10.943 6.259 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -4.218 -11.275 7.380 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -3.767 -13.698 7.253 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -2.541 -13.436 6.029 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -1.567 -13.777 8.185 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -1.234 -12.204 7.640 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -2.422 -12.458 8.826 1.00 0.00 H new ATOM 937 N LEU A 65 -8.163 -8.620 5.302 1.00 0.00 N ATOM 938 CA LEU A 65 -8.602 -7.252 5.527 1.00 0.00 C ATOM 939 C LEU A 65 -9.658 -7.229 6.623 1.00 0.00 C ATOM 940 O LEU A 65 -9.539 -6.432 7.546 1.00 0.00 O ATOM 941 CB LEU A 65 -9.109 -6.609 4.225 1.00 0.00 C ATOM 942 CG LEU A 65 -7.955 -6.134 3.315 1.00 0.00 C ATOM 943 CD1 LEU A 65 -7.500 -7.210 2.321 1.00 0.00 C ATOM 944 CD2 LEU A 65 -8.369 -4.874 2.554 1.00 0.00 C ATOM 0 H LEU A 65 -8.634 -9.091 4.530 1.00 0.00 H new ATOM 0 HA LEU A 65 -7.753 -6.654 5.858 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -9.723 -7.328 3.683 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -9.750 -5.761 4.467 1.00 0.00 H new ATOM 0 HG LEU A 65 -7.109 -5.917 3.968 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -6.687 -6.819 1.709 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -7.153 -8.087 2.868 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -8.336 -7.490 1.680 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -7.548 -4.548 1.916 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -9.243 -5.091 1.939 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -8.612 -4.084 3.264 1.00 0.00 H new ATOM 956 N SER A 66 -10.620 -8.145 6.608 1.00 0.00 N ATOM 957 CA SER A 66 -11.805 -8.106 7.466 1.00 0.00 C ATOM 958 C SER A 66 -11.524 -8.129 8.983 1.00 0.00 C ATOM 959 O SER A 66 -12.415 -7.828 9.770 1.00 0.00 O ATOM 960 CB SER A 66 -12.703 -9.271 7.051 1.00 0.00 C ATOM 961 OG SER A 66 -12.765 -9.331 5.634 1.00 0.00 O ATOM 0 H SER A 66 -10.600 -8.954 5.987 1.00 0.00 H new ATOM 0 HA SER A 66 -12.290 -7.142 7.316 1.00 0.00 H new ATOM 0 HB2 SER A 66 -12.312 -10.207 7.450 1.00 0.00 H new ATOM 0 HB3 SER A 66 -13.703 -9.141 7.465 1.00 0.00 H new ATOM 0 HG SER A 66 -13.339 -10.078 5.363 1.00 0.00 H new ATOM 967 N LEU A 67 -10.291 -8.432 9.408 1.00 0.00 N ATOM 968 CA LEU A 67 -9.839 -8.417 10.802 1.00 0.00 C ATOM 969 C LEU A 67 -8.690 -7.436 11.062 1.00 0.00 C ATOM 970 O LEU A 67 -8.108 -7.454 12.143 1.00 0.00 O ATOM 971 CB LEU A 67 -9.487 -9.837 11.281 1.00 0.00 C ATOM 972 CG LEU A 67 -8.175 -10.460 10.770 1.00 0.00 C ATOM 973 CD1 LEU A 67 -7.940 -11.766 11.525 1.00 0.00 C ATOM 974 CD2 LEU A 67 -8.202 -10.757 9.266 1.00 0.00 C ATOM 0 H LEU A 67 -9.551 -8.706 8.761 1.00 0.00 H new ATOM 0 HA LEU A 67 -10.679 -8.050 11.392 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -9.450 -9.824 12.370 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -10.305 -10.499 10.998 1.00 0.00 H new ATOM 0 HG LEU A 67 -7.375 -9.740 10.943 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -7.014 -12.225 11.178 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -7.865 -11.561 12.593 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -8.772 -12.446 11.344 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -7.250 -11.195 8.964 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -9.009 -11.457 9.048 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -8.366 -9.831 8.715 1.00 0.00 H new ATOM 986 N LYS A 68 -8.303 -6.617 10.080 1.00 0.00 N ATOM 987 CA LYS A 68 -7.186 -5.671 10.151 1.00 0.00 C ATOM 988 C LYS A 68 -7.646 -4.217 10.189 1.00 0.00 C ATOM 989 O LYS A 68 -6.825 -3.318 10.403 1.00 0.00 O ATOM 990 CB LYS A 68 -6.260 -5.908 8.948 1.00 0.00 C ATOM 991 CG LYS A 68 -4.990 -6.700 9.287 1.00 0.00 C ATOM 992 CD LYS A 68 -5.254 -8.020 10.018 1.00 0.00 C ATOM 993 CE LYS A 68 -3.945 -8.799 10.136 1.00 0.00 C ATOM 994 NZ LYS A 68 -4.104 -10.004 10.970 1.00 0.00 N ATOM 0 H LYS A 68 -8.778 -6.594 9.178 1.00 0.00 H new ATOM 0 HA LYS A 68 -6.652 -5.849 11.085 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -6.814 -6.442 8.175 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -5.974 -4.944 8.527 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -4.448 -6.910 8.365 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -4.341 -6.079 9.904 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -5.666 -7.825 11.008 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -5.994 -8.609 9.475 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -3.601 -9.086 9.142 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -3.176 -8.157 10.566 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -3.196 -10.508 11.028 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -4.408 -9.727 11.925 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -4.820 -10.628 10.546 1.00 0.00 H new ATOM 1008 N PHE A 69 -8.925 -3.971 9.953 1.00 0.00 N ATOM 1009 CA PHE A 69 -9.522 -2.655 9.862 1.00 0.00 C ATOM 1010 C PHE A 69 -10.757 -2.701 10.745 1.00 0.00 C ATOM 1011 O PHE A 69 -11.585 -3.594 10.569 1.00 0.00 O ATOM 1012 CB PHE A 69 -9.868 -2.342 8.401 1.00 0.00 C ATOM 1013 CG PHE A 69 -8.706 -2.306 7.430 1.00 0.00 C ATOM 1014 CD1 PHE A 69 -8.122 -3.493 6.957 1.00 0.00 C ATOM 1015 CD2 PHE A 69 -8.267 -1.074 6.928 1.00 0.00 C ATOM 1016 CE1 PHE A 69 -7.125 -3.465 5.973 1.00 0.00 C ATOM 1017 CE2 PHE A 69 -7.294 -1.043 5.917 1.00 0.00 C ATOM 1018 CZ PHE A 69 -6.730 -2.233 5.438 1.00 0.00 C ATOM 0 H PHE A 69 -9.603 -4.720 9.814 1.00 0.00 H new ATOM 0 HA PHE A 69 -8.849 -1.865 10.194 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -10.583 -3.087 8.052 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -10.372 -1.376 8.368 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -8.447 -4.442 7.358 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -8.675 -0.153 7.317 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -6.667 -4.382 5.632 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -6.978 -0.096 5.506 1.00 0.00 H new ATOM 0 HZ PHE A 69 -5.988 -2.200 4.654 1.00 0.00 H new ATOM 1028 N LYS A 70 -10.853 -1.791 11.715 1.00 0.00 N ATOM 1029 CA LYS A 70 -12.060 -1.625 12.535 1.00 0.00 C ATOM 1030 C LYS A 70 -13.247 -1.215 11.687 1.00 0.00 C ATOM 1031 O LYS A 70 -14.375 -1.619 11.933 1.00 0.00 O ATOM 1032 CB LYS A 70 -11.895 -0.649 13.722 1.00 0.00 C ATOM 1033 CG LYS A 70 -10.968 0.484 13.302 1.00 0.00 C ATOM 1034 CD LYS A 70 -10.988 1.833 14.043 1.00 0.00 C ATOM 1035 CE LYS A 70 -12.359 2.507 13.918 1.00 0.00 C ATOM 1036 NZ LYS A 70 -12.301 3.978 13.778 1.00 0.00 N ATOM 0 H LYS A 70 -10.099 -1.148 11.956 1.00 0.00 H new ATOM 0 HA LYS A 70 -12.241 -2.608 12.971 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -12.865 -0.252 14.021 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -11.484 -1.172 14.586 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -9.949 0.102 13.359 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -11.172 0.692 12.252 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -10.750 1.678 15.095 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -10.218 2.488 13.635 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -12.878 2.091 13.054 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -12.954 2.260 14.797 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -13.266 4.358 13.699 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -11.835 4.388 14.612 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -11.761 4.224 12.924 1.00 0.00 H new ATOM 1050 N ASP A 71 -12.973 -0.363 10.713 1.00 0.00 N ATOM 1051 CA ASP A 71 -13.964 0.475 10.084 1.00 0.00 C ATOM 1052 C ASP A 71 -13.670 0.486 8.601 1.00 0.00 C ATOM 1053 O ASP A 71 -13.273 1.510 8.056 1.00 0.00 O ATOM 1054 CB ASP A 71 -13.870 1.843 10.760 1.00 0.00 C ATOM 1055 CG ASP A 71 -14.604 2.942 10.018 1.00 0.00 C ATOM 1056 OD1 ASP A 71 -15.731 2.697 9.543 1.00 0.00 O ATOM 1057 OD2 ASP A 71 -14.049 4.067 9.995 1.00 0.00 O ATOM 0 H ASP A 71 -12.034 -0.237 10.334 1.00 0.00 H new ATOM 0 HA ASP A 71 -14.990 0.126 10.196 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -14.273 1.767 11.770 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -12.820 2.120 10.855 1.00 0.00 H new ATOM 1062 N PRO A 72 -13.776 -0.662 7.915 1.00 0.00 N ATOM 1063 CA PRO A 72 -13.544 -0.684 6.482 1.00 0.00 C ATOM 1064 C PRO A 72 -14.598 0.186 5.788 1.00 0.00 C ATOM 1065 O PRO A 72 -14.273 0.929 4.861 1.00 0.00 O ATOM 1066 CB PRO A 72 -13.597 -2.161 6.099 1.00 0.00 C ATOM 1067 CG PRO A 72 -14.504 -2.783 7.149 1.00 0.00 C ATOM 1068 CD PRO A 72 -14.237 -1.954 8.411 1.00 0.00 C ATOM 0 HA PRO A 72 -12.586 -0.266 6.174 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -13.997 -2.298 5.094 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -12.605 -2.612 6.111 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -15.552 -2.731 6.852 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -14.269 -3.836 7.306 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -15.139 -1.848 9.013 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -13.485 -2.426 9.043 1.00 0.00 H new ATOM 1076 N GLU A 73 -15.837 0.127 6.281 1.00 0.00 N ATOM 1077 CA GLU A 73 -17.031 0.770 5.755 1.00 0.00 C ATOM 1078 C GLU A 73 -16.927 2.291 5.610 1.00 0.00 C ATOM 1079 O GLU A 73 -17.643 2.834 4.765 1.00 0.00 O ATOM 1080 CB GLU A 73 -18.227 0.405 6.643 1.00 0.00 C ATOM 1081 CG GLU A 73 -18.098 0.970 8.069 1.00 0.00 C ATOM 1082 CD GLU A 73 -19.235 0.555 8.995 1.00 0.00 C ATOM 1083 OE1 GLU A 73 -20.423 0.558 8.583 1.00 0.00 O ATOM 1084 OE2 GLU A 73 -18.952 0.262 10.177 1.00 0.00 O ATOM 0 H GLU A 73 -16.041 -0.414 7.122 1.00 0.00 H new ATOM 0 HA GLU A 73 -17.162 0.394 4.740 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -19.142 0.783 6.187 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -18.320 -0.680 6.693 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -17.152 0.639 8.498 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -18.061 2.058 8.018 1.00 0.00 H new ATOM 1091 N ASN A 74 -16.049 2.967 6.363 1.00 0.00 N ATOM 1092 CA ASN A 74 -15.774 4.400 6.242 1.00 0.00 C ATOM 1093 C ASN A 74 -14.276 4.667 6.035 1.00 0.00 C ATOM 1094 O ASN A 74 -13.880 5.830 5.965 1.00 0.00 O ATOM 1095 CB ASN A 74 -16.272 5.202 7.464 1.00 0.00 C ATOM 1096 CG ASN A 74 -17.745 5.082 7.840 1.00 0.00 C ATOM 1097 OD1 ASN A 74 -18.093 5.223 9.011 1.00 0.00 O ATOM 1098 ND2 ASN A 74 -18.644 4.885 6.888 1.00 0.00 N ATOM 0 H ASN A 74 -15.496 2.517 7.093 1.00 0.00 H new ATOM 0 HA ASN A 74 -16.326 4.739 5.365 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -15.680 4.899 8.328 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -16.057 6.255 7.284 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -19.636 4.849 7.123 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -18.345 4.769 5.920 1.00 0.00 H new ATOM 1105 N THR A 75 -13.422 3.645 5.949 1.00 0.00 N ATOM 1106 CA THR A 75 -12.000 3.821 5.682 1.00 0.00 C ATOM 1107 C THR A 75 -11.786 4.262 4.230 1.00 0.00 C ATOM 1108 O THR A 75 -12.490 3.794 3.326 1.00 0.00 O ATOM 1109 CB THR A 75 -11.264 2.508 6.029 1.00 0.00 C ATOM 1110 OG1 THR A 75 -11.002 2.473 7.416 1.00 0.00 O ATOM 1111 CG2 THR A 75 -9.945 2.250 5.290 1.00 0.00 C ATOM 0 H THR A 75 -13.702 2.671 6.063 1.00 0.00 H new ATOM 0 HA THR A 75 -11.584 4.611 6.307 1.00 0.00 H new ATOM 0 HB THR A 75 -11.944 1.723 5.699 1.00 0.00 H new ATOM 0 HG1 THR A 75 -11.704 1.961 7.869 1.00 0.00 H new ATOM 0 HG21 THR A 75 -9.524 1.300 5.618 1.00 0.00 H new ATOM 0 HG22 THR A 75 -10.130 2.214 4.217 1.00 0.00 H new ATOM 0 HG23 THR A 75 -9.242 3.053 5.510 1.00 0.00 H new ATOM 1119 N THR A 76 -10.733 5.048 3.987 1.00 0.00 N ATOM 1120 CA THR A 76 -10.215 5.356 2.656 1.00 0.00 C ATOM 1121 C THR A 76 -8.853 4.664 2.507 1.00 0.00 C ATOM 1122 O THR A 76 -7.839 5.155 3.006 1.00 0.00 O ATOM 1123 CB THR A 76 -10.144 6.875 2.418 1.00 0.00 C ATOM 1124 OG1 THR A 76 -11.308 7.529 2.888 1.00 0.00 O ATOM 1125 CG2 THR A 76 -9.974 7.205 0.930 1.00 0.00 C ATOM 0 H THR A 76 -10.204 5.499 4.734 1.00 0.00 H new ATOM 0 HA THR A 76 -10.889 4.977 1.888 1.00 0.00 H new ATOM 0 HB THR A 76 -9.275 7.230 2.972 1.00 0.00 H new ATOM 0 HG1 THR A 76 -11.231 8.492 2.724 1.00 0.00 H new ATOM 0 HG21 THR A 76 -9.928 8.286 0.800 1.00 0.00 H new ATOM 0 HG22 THR A 76 -9.052 6.755 0.561 1.00 0.00 H new ATOM 0 HG23 THR A 76 -10.821 6.808 0.370 1.00 0.00 H new ATOM 1133 N LEU A 77 -8.815 3.473 1.908 1.00 0.00 N ATOM 1134 CA LEU A 77 -7.586 2.705 1.760 1.00 0.00 C ATOM 1135 C LEU A 77 -6.721 3.294 0.643 1.00 0.00 C ATOM 1136 O LEU A 77 -7.244 3.762 -0.363 1.00 0.00 O ATOM 1137 CB LEU A 77 -7.899 1.219 1.460 1.00 0.00 C ATOM 1138 CG LEU A 77 -7.295 0.218 2.455 1.00 0.00 C ATOM 1139 CD1 LEU A 77 -7.508 -1.222 1.965 1.00 0.00 C ATOM 1140 CD2 LEU A 77 -5.800 0.447 2.675 1.00 0.00 C ATOM 0 H LEU A 77 -9.637 3.017 1.513 1.00 0.00 H new ATOM 0 HA LEU A 77 -7.036 2.760 2.700 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -8.981 1.086 1.445 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -7.535 0.981 0.461 1.00 0.00 H new ATOM 0 HG LEU A 77 -7.809 0.374 3.403 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -7.074 -1.918 2.682 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -8.576 -1.419 1.868 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -7.026 -1.352 0.996 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -5.420 -0.286 3.387 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -5.272 0.340 1.727 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -5.640 1.451 3.068 1.00 0.00 H new ATOM 1152 N TYR A 78 -5.401 3.168 0.762 1.00 0.00 N ATOM 1153 CA TYR A 78 -4.439 3.534 -0.266 1.00 0.00 C ATOM 1154 C TYR A 78 -3.534 2.321 -0.451 1.00 0.00 C ATOM 1155 O TYR A 78 -2.723 2.004 0.425 1.00 0.00 O ATOM 1156 CB TYR A 78 -3.655 4.798 0.132 1.00 0.00 C ATOM 1157 CG TYR A 78 -4.459 6.087 0.191 1.00 0.00 C ATOM 1158 CD1 TYR A 78 -5.313 6.342 1.281 1.00 0.00 C ATOM 1159 CD2 TYR A 78 -4.359 7.038 -0.846 1.00 0.00 C ATOM 1160 CE1 TYR A 78 -6.115 7.495 1.309 1.00 0.00 C ATOM 1161 CE2 TYR A 78 -5.137 8.211 -0.809 1.00 0.00 C ATOM 1162 CZ TYR A 78 -6.044 8.429 0.251 1.00 0.00 C ATOM 1163 OH TYR A 78 -6.856 9.525 0.251 1.00 0.00 O ATOM 0 H TYR A 78 -4.961 2.796 1.604 1.00 0.00 H new ATOM 0 HA TYR A 78 -4.931 3.786 -1.206 1.00 0.00 H new ATOM 0 HB2 TYR A 78 -3.203 4.629 1.110 1.00 0.00 H new ATOM 0 HB3 TYR A 78 -2.838 4.934 -0.577 1.00 0.00 H new ATOM 0 HD1 TYR A 78 -5.352 5.644 2.104 1.00 0.00 H new ATOM 0 HD2 TYR A 78 -3.684 6.866 -1.671 1.00 0.00 H new ATOM 0 HE1 TYR A 78 -6.785 7.667 2.138 1.00 0.00 H new ATOM 0 HE2 TYR A 78 -5.040 8.946 -1.594 1.00 0.00 H new ATOM 0 HH TYR A 78 -6.678 10.064 -0.548 1.00 0.00 H new ATOM 1173 N ILE A 79 -3.716 1.585 -1.545 1.00 0.00 N ATOM 1174 CA ILE A 79 -2.889 0.424 -1.862 1.00 0.00 C ATOM 1175 C ILE A 79 -1.475 0.904 -2.181 1.00 0.00 C ATOM 1176 O ILE A 79 -1.304 2.036 -2.625 1.00 0.00 O ATOM 1177 CB ILE A 79 -3.554 -0.375 -3.007 1.00 0.00 C ATOM 1178 CG1 ILE A 79 -4.834 -1.038 -2.446 1.00 0.00 C ATOM 1179 CG2 ILE A 79 -2.651 -1.463 -3.615 1.00 0.00 C ATOM 1180 CD1 ILE A 79 -6.098 -0.236 -2.749 1.00 0.00 C ATOM 0 H ILE A 79 -4.441 1.777 -2.236 1.00 0.00 H new ATOM 0 HA ILE A 79 -2.808 -0.260 -1.017 1.00 0.00 H new ATOM 0 HB ILE A 79 -3.769 0.328 -3.812 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -4.934 -2.038 -2.868 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -4.734 -1.155 -1.367 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -3.188 -1.979 -4.411 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -1.751 -1.003 -4.024 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -2.373 -2.179 -2.842 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -6.964 -0.750 -2.331 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -6.015 0.756 -2.304 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -6.219 -0.141 -3.828 1.00 0.00 H new ATOM 1192 N LEU A 80 -0.461 0.064 -1.974 1.00 0.00 N ATOM 1193 CA LEU A 80 0.922 0.319 -2.359 1.00 0.00 C ATOM 1194 C LEU A 80 1.458 -0.994 -2.934 1.00 0.00 C ATOM 1195 O LEU A 80 1.365 -2.022 -2.262 1.00 0.00 O ATOM 1196 CB LEU A 80 1.719 0.812 -1.132 1.00 0.00 C ATOM 1197 CG LEU A 80 2.879 1.771 -1.468 1.00 0.00 C ATOM 1198 CD1 LEU A 80 3.665 2.042 -0.178 1.00 0.00 C ATOM 1199 CD2 LEU A 80 3.856 1.242 -2.512 1.00 0.00 C ATOM 0 H LEU A 80 -0.586 -0.840 -1.519 1.00 0.00 H new ATOM 0 HA LEU A 80 1.012 1.104 -3.110 1.00 0.00 H new ATOM 0 HB2 LEU A 80 1.035 1.314 -0.448 1.00 0.00 H new ATOM 0 HB3 LEU A 80 2.120 -0.053 -0.604 1.00 0.00 H new ATOM 0 HG LEU A 80 2.425 2.667 -1.891 1.00 0.00 H new ATOM 0 HD11 LEU A 80 4.492 2.719 -0.391 1.00 0.00 H new ATOM 0 HD12 LEU A 80 3.005 2.496 0.561 1.00 0.00 H new ATOM 0 HD13 LEU A 80 4.057 1.103 0.214 1.00 0.00 H new ATOM 0 HD21 LEU A 80 4.638 1.981 -2.686 1.00 0.00 H new ATOM 0 HD22 LEU A 80 4.305 0.316 -2.154 1.00 0.00 H new ATOM 0 HD23 LEU A 80 3.324 1.050 -3.444 1.00 0.00 H new ATOM 1211 N ASP A 81 1.935 -0.992 -4.180 1.00 0.00 N ATOM 1212 CA ASP A 81 2.548 -2.144 -4.850 1.00 0.00 C ATOM 1213 C ASP A 81 4.028 -1.854 -5.139 1.00 0.00 C ATOM 1214 O ASP A 81 4.560 -0.841 -4.698 1.00 0.00 O ATOM 1215 CB ASP A 81 1.748 -2.554 -6.102 1.00 0.00 C ATOM 1216 CG ASP A 81 2.407 -2.097 -7.398 1.00 0.00 C ATOM 1217 OD1 ASP A 81 2.355 -0.885 -7.680 1.00 0.00 O ATOM 1218 OD2 ASP A 81 3.040 -2.963 -8.048 1.00 0.00 O ATOM 0 H ASP A 81 1.905 -0.162 -4.771 1.00 0.00 H new ATOM 0 HA ASP A 81 2.515 -3.008 -4.186 1.00 0.00 H new ATOM 0 HB2 ASP A 81 1.637 -3.638 -6.118 1.00 0.00 H new ATOM 0 HB3 ASP A 81 0.745 -2.132 -6.041 1.00 0.00 H new ATOM 1223 N LYS A 82 4.746 -2.779 -5.783 1.00 0.00 N ATOM 1224 CA LYS A 82 6.144 -2.585 -6.140 1.00 0.00 C ATOM 1225 C LYS A 82 6.246 -1.494 -7.196 1.00 0.00 C ATOM 1226 O LYS A 82 7.041 -0.596 -6.985 1.00 0.00 O ATOM 1227 CB LYS A 82 6.786 -3.911 -6.588 1.00 0.00 C ATOM 1228 CG LYS A 82 6.675 -5.006 -5.519 1.00 0.00 C ATOM 1229 CD LYS A 82 7.674 -6.154 -5.699 1.00 0.00 C ATOM 1230 CE LYS A 82 7.820 -6.750 -7.107 1.00 0.00 C ATOM 1231 NZ LYS A 82 6.548 -7.116 -7.760 1.00 0.00 N ATOM 0 H LYS A 82 4.369 -3.682 -6.069 1.00 0.00 H new ATOM 0 HA LYS A 82 6.707 -2.257 -5.266 1.00 0.00 H new ATOM 0 HB2 LYS A 82 6.306 -4.252 -7.505 1.00 0.00 H new ATOM 0 HB3 LYS A 82 7.837 -3.742 -6.823 1.00 0.00 H new ATOM 0 HG2 LYS A 82 6.825 -4.558 -4.537 1.00 0.00 H new ATOM 0 HG3 LYS A 82 5.664 -5.412 -5.533 1.00 0.00 H new ATOM 0 HD2 LYS A 82 8.654 -5.800 -5.380 1.00 0.00 H new ATOM 0 HD3 LYS A 82 7.389 -6.958 -5.021 1.00 0.00 H new ATOM 0 HE2 LYS A 82 8.342 -6.031 -7.738 1.00 0.00 H new ATOM 0 HE3 LYS A 82 8.450 -7.638 -7.047 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 6.719 -7.872 -8.454 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 5.873 -7.450 -7.043 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 6.154 -6.284 -8.244 1.00 0.00 H new ATOM 1245 N PHE A 83 5.519 -1.558 -8.308 1.00 0.00 N ATOM 1246 CA PHE A 83 5.824 -0.735 -9.470 1.00 0.00 C ATOM 1247 C PHE A 83 4.599 -0.483 -10.357 1.00 0.00 C ATOM 1248 O PHE A 83 4.502 0.552 -11.016 1.00 0.00 O ATOM 1249 CB PHE A 83 6.875 -1.514 -10.277 1.00 0.00 C ATOM 1250 CG PHE A 83 7.881 -0.676 -11.027 1.00 0.00 C ATOM 1251 CD1 PHE A 83 7.474 0.122 -12.107 1.00 0.00 C ATOM 1252 CD2 PHE A 83 9.238 -0.743 -10.676 1.00 0.00 C ATOM 1253 CE1 PHE A 83 8.417 0.876 -12.817 1.00 0.00 C ATOM 1254 CE2 PHE A 83 10.194 -0.032 -11.422 1.00 0.00 C ATOM 1255 CZ PHE A 83 9.780 0.781 -12.494 1.00 0.00 C ATOM 0 H PHE A 83 4.714 -2.173 -8.427 1.00 0.00 H new ATOM 0 HA PHE A 83 6.174 0.243 -9.141 1.00 0.00 H new ATOM 0 HB2 PHE A 83 7.414 -2.172 -9.596 1.00 0.00 H new ATOM 0 HB3 PHE A 83 6.356 -2.152 -10.993 1.00 0.00 H new ATOM 0 HD1 PHE A 83 6.433 0.155 -12.391 1.00 0.00 H new ATOM 0 HD2 PHE A 83 9.548 -1.341 -9.832 1.00 0.00 H new ATOM 0 HE1 PHE A 83 8.095 1.531 -13.613 1.00 0.00 H new ATOM 0 HE2 PHE A 83 11.242 -0.109 -11.174 1.00 0.00 H new ATOM 0 HZ PHE A 83 10.511 1.332 -13.068 1.00 0.00 H new ATOM 1265 N ASP A 84 3.757 -1.500 -10.517 1.00 0.00 N ATOM 1266 CA ASP A 84 2.707 -1.610 -11.520 1.00 0.00 C ATOM 1267 C ASP A 84 1.676 -2.503 -10.841 1.00 0.00 C ATOM 1268 O ASP A 84 0.679 -2.013 -10.302 1.00 0.00 O ATOM 1269 CB ASP A 84 3.236 -2.283 -12.810 1.00 0.00 C ATOM 1270 CG ASP A 84 3.783 -1.331 -13.868 1.00 0.00 C ATOM 1271 OD1 ASP A 84 3.018 -0.516 -14.433 1.00 0.00 O ATOM 1272 OD2 ASP A 84 4.966 -1.494 -14.246 1.00 0.00 O ATOM 0 H ASP A 84 3.794 -2.319 -9.911 1.00 0.00 H new ATOM 0 HA ASP A 84 2.312 -0.642 -11.828 1.00 0.00 H new ATOM 0 HB2 ASP A 84 4.023 -2.986 -12.536 1.00 0.00 H new ATOM 0 HB3 ASP A 84 2.428 -2.866 -13.253 1.00 0.00 H new ATOM 1277 N GLY A 85 1.987 -3.804 -10.769 1.00 0.00 N ATOM 1278 CA GLY A 85 1.211 -4.805 -10.071 1.00 0.00 C ATOM 1279 C GLY A 85 -0.225 -4.725 -10.547 1.00 0.00 C ATOM 1280 O GLY A 85 -0.515 -4.977 -11.717 1.00 0.00 O ATOM 0 H GLY A 85 2.819 -4.190 -11.216 1.00 0.00 H new ATOM 0 HA2 GLY A 85 1.617 -5.798 -10.261 1.00 0.00 H new ATOM 0 HA3 GLY A 85 1.262 -4.640 -8.995 1.00 0.00 H new ATOM 1284 N ASN A 86 -1.126 -4.390 -9.628 1.00 0.00 N ATOM 1285 CA ASN A 86 -2.545 -4.202 -9.887 1.00 0.00 C ATOM 1286 C ASN A 86 -3.090 -3.187 -8.876 1.00 0.00 C ATOM 1287 O ASN A 86 -4.199 -3.372 -8.388 1.00 0.00 O ATOM 1288 CB ASN A 86 -3.301 -5.541 -9.760 1.00 0.00 C ATOM 1289 CG ASN A 86 -2.817 -6.664 -10.664 1.00 0.00 C ATOM 1290 OD1 ASN A 86 -1.855 -7.357 -10.334 1.00 0.00 O ATOM 1291 ND2 ASN A 86 -3.502 -6.942 -11.760 1.00 0.00 N ATOM 0 H ASN A 86 -0.877 -4.237 -8.651 1.00 0.00 H new ATOM 0 HA ASN A 86 -2.688 -3.832 -10.902 1.00 0.00 H new ATOM 0 HB2 ASN A 86 -3.233 -5.878 -8.726 1.00 0.00 H new ATOM 0 HB3 ASN A 86 -4.356 -5.362 -9.968 1.00 0.00 H new ATOM 0 HD21 ASN A 86 -3.235 -7.737 -12.341 1.00 0.00 H new ATOM 0 HD22 ASN A 86 -4.298 -6.362 -12.025 1.00 0.00 H new ATOM 1298 N SER A 87 -2.313 -2.186 -8.446 1.00 0.00 N ATOM 1299 CA SER A 87 -2.740 -1.238 -7.416 1.00 0.00 C ATOM 1300 C SER A 87 -4.130 -0.666 -7.738 1.00 0.00 C ATOM 1301 O SER A 87 -4.997 -0.610 -6.864 1.00 0.00 O ATOM 1302 CB SER A 87 -1.657 -0.158 -7.258 1.00 0.00 C ATOM 1303 OG SER A 87 -1.447 0.513 -8.483 1.00 0.00 O ATOM 0 H SER A 87 -1.373 -2.012 -8.803 1.00 0.00 H new ATOM 0 HA SER A 87 -2.849 -1.743 -6.456 1.00 0.00 H new ATOM 0 HB2 SER A 87 -1.957 0.557 -6.491 1.00 0.00 H new ATOM 0 HB3 SER A 87 -0.726 -0.614 -6.922 1.00 0.00 H new ATOM 0 HG SER A 87 -0.756 1.198 -8.366 1.00 0.00 H new ATOM 1309 N GLU A 88 -4.362 -0.319 -9.005 1.00 0.00 N ATOM 1310 CA GLU A 88 -5.570 0.340 -9.483 1.00 0.00 C ATOM 1311 C GLU A 88 -6.768 -0.620 -9.519 1.00 0.00 C ATOM 1312 O GLU A 88 -7.916 -0.175 -9.511 1.00 0.00 O ATOM 1313 CB GLU A 88 -5.310 0.974 -10.861 1.00 0.00 C ATOM 1314 CG GLU A 88 -3.973 1.745 -10.930 1.00 0.00 C ATOM 1315 CD GLU A 88 -2.768 0.921 -11.426 1.00 0.00 C ATOM 1316 OE1 GLU A 88 -2.884 -0.327 -11.519 1.00 0.00 O ATOM 1317 OE2 GLU A 88 -1.713 1.525 -11.748 1.00 0.00 O ATOM 0 H GLU A 88 -3.688 -0.497 -9.750 1.00 0.00 H new ATOM 0 HA GLU A 88 -5.829 1.132 -8.780 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -5.311 0.192 -11.620 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -6.127 1.654 -11.102 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -4.101 2.605 -11.588 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -3.744 2.134 -9.938 1.00 0.00 H new ATOM 1324 N LEU A 89 -6.518 -1.934 -9.550 1.00 0.00 N ATOM 1325 CA LEU A 89 -7.531 -2.979 -9.409 1.00 0.00 C ATOM 1326 C LEU A 89 -8.029 -2.967 -7.975 1.00 0.00 C ATOM 1327 O LEU A 89 -9.223 -2.841 -7.707 1.00 0.00 O ATOM 1328 CB LEU A 89 -6.910 -4.348 -9.751 1.00 0.00 C ATOM 1329 CG LEU A 89 -7.826 -5.579 -9.768 1.00 0.00 C ATOM 1330 CD1 LEU A 89 -8.273 -6.037 -8.378 1.00 0.00 C ATOM 1331 CD2 LEU A 89 -9.018 -5.389 -10.697 1.00 0.00 C ATOM 0 H LEU A 89 -5.577 -2.307 -9.678 1.00 0.00 H new ATOM 0 HA LEU A 89 -8.364 -2.799 -10.089 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -6.445 -4.266 -10.734 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -6.110 -4.538 -9.035 1.00 0.00 H new ATOM 0 HG LEU A 89 -7.211 -6.386 -10.166 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -8.917 -6.911 -8.473 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -7.398 -6.294 -7.781 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -8.823 -5.233 -7.889 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -9.640 -6.284 -10.679 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -9.605 -4.532 -10.365 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -8.663 -5.214 -11.713 1.00 0.00 H new ATOM 1343 N VAL A 90 -7.104 -3.147 -7.035 1.00 0.00 N ATOM 1344 CA VAL A 90 -7.442 -3.306 -5.633 1.00 0.00 C ATOM 1345 C VAL A 90 -8.128 -2.017 -5.129 1.00 0.00 C ATOM 1346 O VAL A 90 -9.006 -2.100 -4.268 1.00 0.00 O ATOM 1347 CB VAL A 90 -6.164 -3.685 -4.855 1.00 0.00 C ATOM 1348 CG1 VAL A 90 -6.488 -4.109 -3.417 1.00 0.00 C ATOM 1349 CG2 VAL A 90 -5.378 -4.843 -5.499 1.00 0.00 C ATOM 0 H VAL A 90 -6.103 -3.186 -7.229 1.00 0.00 H new ATOM 0 HA VAL A 90 -8.156 -4.114 -5.476 1.00 0.00 H new ATOM 0 HB VAL A 90 -5.554 -2.782 -4.873 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -5.566 -4.369 -2.898 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -6.978 -3.286 -2.897 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -7.151 -4.974 -3.433 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -4.492 -5.058 -4.902 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -6.009 -5.730 -5.544 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -5.076 -4.561 -6.508 1.00 0.00 H new ATOM 1359 N ALA A 91 -7.798 -0.856 -5.718 1.00 0.00 N ATOM 1360 CA ALA A 91 -8.358 0.454 -5.403 1.00 0.00 C ATOM 1361 C ALA A 91 -9.855 0.567 -5.701 1.00 0.00 C ATOM 1362 O ALA A 91 -10.541 1.356 -5.047 1.00 0.00 O ATOM 1363 CB ALA A 91 -7.599 1.528 -6.185 1.00 0.00 C ATOM 0 H ALA A 91 -7.100 -0.811 -6.461 1.00 0.00 H new ATOM 0 HA ALA A 91 -8.243 0.596 -4.328 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -8.014 2.509 -5.953 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -6.545 1.505 -5.906 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -7.696 1.337 -7.254 1.00 0.00 H new ATOM 1369 N GLU A 92 -10.391 -0.192 -6.656 1.00 0.00 N ATOM 1370 CA GLU A 92 -11.841 -0.292 -6.815 1.00 0.00 C ATOM 1371 C GLU A 92 -12.387 -1.446 -5.987 1.00 0.00 C ATOM 1372 O GLU A 92 -13.452 -1.341 -5.377 1.00 0.00 O ATOM 1373 CB GLU A 92 -12.251 -0.353 -8.299 1.00 0.00 C ATOM 1374 CG GLU A 92 -11.549 -1.450 -9.117 1.00 0.00 C ATOM 1375 CD GLU A 92 -12.020 -1.568 -10.565 1.00 0.00 C ATOM 1376 OE1 GLU A 92 -13.161 -1.163 -10.897 1.00 0.00 O ATOM 1377 OE2 GLU A 92 -11.269 -2.158 -11.377 1.00 0.00 O ATOM 0 H GLU A 92 -9.850 -0.741 -7.324 1.00 0.00 H new ATOM 0 HA GLU A 92 -12.299 0.618 -6.428 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -13.328 -0.509 -8.358 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -12.043 0.613 -8.759 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -10.476 -1.257 -9.113 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -11.702 -2.408 -8.620 1.00 0.00 H new ATOM 1384 N LEU A 93 -11.632 -2.538 -5.925 1.00 0.00 N ATOM 1385 CA LEU A 93 -12.146 -3.804 -5.450 1.00 0.00 C ATOM 1386 C LEU A 93 -12.518 -3.758 -3.975 1.00 0.00 C ATOM 1387 O LEU A 93 -13.614 -4.197 -3.635 1.00 0.00 O ATOM 1388 CB LEU A 93 -11.119 -4.895 -5.728 1.00 0.00 C ATOM 1389 CG LEU A 93 -11.708 -6.297 -5.505 1.00 0.00 C ATOM 1390 CD1 LEU A 93 -12.551 -6.765 -6.697 1.00 0.00 C ATOM 1391 CD2 LEU A 93 -10.593 -7.303 -5.265 1.00 0.00 C ATOM 0 H LEU A 93 -10.651 -2.564 -6.203 1.00 0.00 H new ATOM 0 HA LEU A 93 -13.067 -4.026 -5.988 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -10.764 -4.808 -6.755 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -10.254 -4.756 -5.079 1.00 0.00 H new ATOM 0 HG LEU A 93 -12.356 -6.235 -4.631 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -12.947 -7.760 -6.494 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -13.377 -6.071 -6.853 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -11.930 -6.797 -7.592 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -11.023 -8.292 -5.108 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -9.932 -7.328 -6.132 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -10.023 -7.011 -4.383 1.00 0.00 H new ATOM 1403 N VAL A 94 -11.639 -3.272 -3.090 1.00 0.00 N ATOM 1404 CA VAL A 94 -11.944 -3.273 -1.656 1.00 0.00 C ATOM 1405 C VAL A 94 -13.238 -2.512 -1.381 1.00 0.00 C ATOM 1406 O VAL A 94 -14.060 -2.976 -0.592 1.00 0.00 O ATOM 1407 CB VAL A 94 -10.794 -2.721 -0.797 1.00 0.00 C ATOM 1408 CG1 VAL A 94 -9.588 -3.666 -0.843 1.00 0.00 C ATOM 1409 CG2 VAL A 94 -10.340 -1.302 -1.156 1.00 0.00 C ATOM 0 H VAL A 94 -10.729 -2.881 -3.335 1.00 0.00 H new ATOM 0 HA VAL A 94 -12.075 -4.315 -1.365 1.00 0.00 H new ATOM 0 HB VAL A 94 -11.205 -2.660 0.211 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -8.784 -3.260 -0.230 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -9.878 -4.644 -0.460 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -9.244 -3.767 -1.872 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -9.526 -1.002 -0.495 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -9.995 -1.281 -2.190 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -11.176 -0.612 -1.039 1.00 0.00 H new ATOM 1419 N ALA A 95 -13.431 -1.373 -2.053 1.00 0.00 N ATOM 1420 CA ALA A 95 -14.624 -0.560 -1.913 1.00 0.00 C ATOM 1421 C ALA A 95 -15.851 -1.393 -2.279 1.00 0.00 C ATOM 1422 O ALA A 95 -16.771 -1.559 -1.483 1.00 0.00 O ATOM 1423 CB ALA A 95 -14.503 0.700 -2.774 1.00 0.00 C ATOM 0 H ALA A 95 -12.752 -0.993 -2.713 1.00 0.00 H new ATOM 0 HA ALA A 95 -14.737 -0.235 -0.879 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -15.403 1.305 -2.663 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -13.636 1.278 -2.454 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -14.384 0.416 -3.820 1.00 0.00 H new ATOM 1429 N LEU A 96 -15.818 -1.994 -3.467 1.00 0.00 N ATOM 1430 CA LEU A 96 -16.851 -2.889 -3.976 1.00 0.00 C ATOM 1431 C LEU A 96 -17.085 -4.119 -3.082 1.00 0.00 C ATOM 1432 O LEU A 96 -18.103 -4.798 -3.231 1.00 0.00 O ATOM 1433 CB LEU A 96 -16.460 -3.305 -5.407 1.00 0.00 C ATOM 1434 CG LEU A 96 -17.165 -2.469 -6.488 1.00 0.00 C ATOM 1435 CD1 LEU A 96 -16.785 -0.987 -6.431 1.00 0.00 C ATOM 1436 CD2 LEU A 96 -16.817 -3.014 -7.875 1.00 0.00 C ATOM 0 H LEU A 96 -15.046 -1.866 -4.121 1.00 0.00 H new ATOM 0 HA LEU A 96 -17.801 -2.354 -3.977 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -15.381 -3.208 -5.526 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -16.703 -4.357 -5.553 1.00 0.00 H new ATOM 0 HG LEU A 96 -18.235 -2.547 -6.298 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -17.312 -0.446 -7.217 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -17.062 -0.577 -5.460 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -15.710 -0.881 -6.576 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -17.319 -2.418 -8.637 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -15.739 -2.962 -8.026 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -17.145 -4.051 -7.951 1.00 0.00 H new ATOM 1448 N ASN A 97 -16.169 -4.415 -2.160 1.00 0.00 N ATOM 1449 CA ASN A 97 -16.191 -5.565 -1.258 1.00 0.00 C ATOM 1450 C ASN A 97 -16.369 -5.115 0.196 1.00 0.00 C ATOM 1451 O ASN A 97 -16.127 -5.893 1.121 1.00 0.00 O ATOM 1452 CB ASN A 97 -14.946 -6.440 -1.489 1.00 0.00 C ATOM 1453 CG ASN A 97 -15.099 -7.263 -2.760 1.00 0.00 C ATOM 1454 OD1 ASN A 97 -15.382 -8.454 -2.725 1.00 0.00 O ATOM 1455 ND2 ASN A 97 -14.944 -6.641 -3.913 1.00 0.00 N ATOM 0 H ASN A 97 -15.348 -3.827 -2.015 1.00 0.00 H new ATOM 0 HA ASN A 97 -17.056 -6.190 -1.480 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -14.060 -5.809 -1.562 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -14.797 -7.102 -0.636 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -15.060 -7.152 -4.788 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -14.708 -5.649 -3.930 1.00 0.00 H new ATOM 1462 N GLY A 98 -16.832 -3.880 0.416 1.00 0.00 N ATOM 1463 CA GLY A 98 -17.353 -3.429 1.697 1.00 0.00 C ATOM 1464 C GLY A 98 -16.569 -2.293 2.331 1.00 0.00 C ATOM 1465 O GLY A 98 -16.936 -1.866 3.428 1.00 0.00 O ATOM 0 H GLY A 98 -16.853 -3.160 -0.306 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -18.386 -3.110 1.563 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -17.367 -4.273 2.387 1.00 0.00 H new ATOM 1469 N PHE A 99 -15.492 -1.824 1.707 1.00 0.00 N ATOM 1470 CA PHE A 99 -14.851 -0.594 2.142 1.00 0.00 C ATOM 1471 C PHE A 99 -15.553 0.616 1.524 1.00 0.00 C ATOM 1472 O PHE A 99 -16.415 0.466 0.654 1.00 0.00 O ATOM 1473 CB PHE A 99 -13.357 -0.606 1.802 1.00 0.00 C ATOM 1474 CG PHE A 99 -12.469 -1.473 2.674 1.00 0.00 C ATOM 1475 CD1 PHE A 99 -12.588 -2.877 2.681 1.00 0.00 C ATOM 1476 CD2 PHE A 99 -11.502 -0.854 3.489 1.00 0.00 C ATOM 1477 CE1 PHE A 99 -11.769 -3.645 3.529 1.00 0.00 C ATOM 1478 CE2 PHE A 99 -10.669 -1.624 4.312 1.00 0.00 C ATOM 1479 CZ PHE A 99 -10.809 -3.019 4.342 1.00 0.00 C ATOM 0 H PHE A 99 -15.050 -2.275 0.906 1.00 0.00 H new ATOM 0 HA PHE A 99 -14.939 -0.520 3.226 1.00 0.00 H new ATOM 0 HB2 PHE A 99 -13.245 -0.935 0.769 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -12.988 0.418 1.852 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -13.306 -3.363 2.037 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -11.402 0.221 3.480 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -11.879 -4.719 3.555 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -9.919 -1.143 4.923 1.00 0.00 H new ATOM 0 HZ PHE A 99 -10.180 -3.612 4.989 1.00 0.00 H new ATOM 1489 N LYS A 100 -15.183 1.832 1.948 1.00 0.00 N ATOM 1490 CA LYS A 100 -15.845 3.011 1.405 1.00 0.00 C ATOM 1491 C LYS A 100 -15.377 3.303 -0.019 1.00 0.00 C ATOM 1492 O LYS A 100 -16.157 3.173 -0.958 1.00 0.00 O ATOM 1493 CB LYS A 100 -15.744 4.240 2.313 1.00 0.00 C ATOM 1494 CG LYS A 100 -16.709 5.368 1.902 1.00 0.00 C ATOM 1495 CD LYS A 100 -18.210 5.019 2.009 1.00 0.00 C ATOM 1496 CE LYS A 100 -18.766 4.291 0.774 1.00 0.00 C ATOM 1497 NZ LYS A 100 -20.077 3.661 1.018 1.00 0.00 N ATOM 0 H LYS A 100 -14.456 2.016 2.639 1.00 0.00 H new ATOM 0 HA LYS A 100 -16.908 2.774 1.362 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -15.955 3.945 3.341 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -14.722 4.618 2.293 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -16.510 6.240 2.525 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -16.491 5.654 0.873 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -18.367 4.395 2.889 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -18.777 5.937 2.164 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -18.857 5.000 -0.048 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -18.055 3.527 0.459 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -20.401 3.186 0.151 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -19.989 2.962 1.783 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -20.767 4.390 1.292 1.00 0.00 H new ATOM 1511 N SER A 101 -14.118 3.713 -0.155 1.00 0.00 N ATOM 1512 CA SER A 101 -13.443 4.050 -1.403 1.00 0.00 C ATOM 1513 C SER A 101 -11.963 3.803 -1.212 1.00 0.00 C ATOM 1514 O SER A 101 -11.482 3.908 -0.085 1.00 0.00 O ATOM 1515 CB SER A 101 -13.645 5.528 -1.717 1.00 0.00 C ATOM 1516 OG SER A 101 -14.987 5.707 -2.117 1.00 0.00 O ATOM 0 H SER A 101 -13.506 3.825 0.653 1.00 0.00 H new ATOM 0 HA SER A 101 -13.845 3.447 -2.217 1.00 0.00 H new ATOM 0 HB2 SER A 101 -13.423 6.138 -0.841 1.00 0.00 H new ATOM 0 HB3 SER A 101 -12.965 5.846 -2.508 1.00 0.00 H new ATOM 0 HG SER A 101 -15.144 6.652 -2.323 1.00 0.00 H new ATOM 1522 N ALA A 102 -11.218 3.493 -2.269 1.00 0.00 N ATOM 1523 CA ALA A 102 -9.780 3.315 -2.149 1.00 0.00 C ATOM 1524 C ALA A 102 -9.044 3.936 -3.331 1.00 0.00 C ATOM 1525 O ALA A 102 -9.644 4.377 -4.315 1.00 0.00 O ATOM 1526 CB ALA A 102 -9.451 1.834 -1.928 1.00 0.00 C ATOM 0 H ALA A 102 -11.586 3.361 -3.211 1.00 0.00 H new ATOM 0 HA ALA A 102 -9.421 3.852 -1.271 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -8.372 1.710 -1.839 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -9.932 1.487 -1.014 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -9.815 1.250 -2.774 1.00 0.00 H new ATOM 1532 N TYR A 103 -7.727 4.003 -3.190 1.00 0.00 N ATOM 1533 CA TYR A 103 -6.804 4.723 -4.044 1.00 0.00 C ATOM 1534 C TYR A 103 -5.645 3.798 -4.389 1.00 0.00 C ATOM 1535 O TYR A 103 -5.359 2.840 -3.666 1.00 0.00 O ATOM 1536 CB TYR A 103 -6.251 5.928 -3.272 1.00 0.00 C ATOM 1537 CG TYR A 103 -7.058 7.210 -3.320 1.00 0.00 C ATOM 1538 CD1 TYR A 103 -8.332 7.289 -2.724 1.00 0.00 C ATOM 1539 CD2 TYR A 103 -6.475 8.362 -3.881 1.00 0.00 C ATOM 1540 CE1 TYR A 103 -9.028 8.510 -2.691 1.00 0.00 C ATOM 1541 CE2 TYR A 103 -7.134 9.597 -3.809 1.00 0.00 C ATOM 1542 CZ TYR A 103 -8.418 9.677 -3.216 1.00 0.00 C ATOM 1543 OH TYR A 103 -9.063 10.870 -3.155 1.00 0.00 O ATOM 0 H TYR A 103 -7.249 3.524 -2.427 1.00 0.00 H new ATOM 0 HA TYR A 103 -7.311 5.057 -4.949 1.00 0.00 H new ATOM 0 HB2 TYR A 103 -6.139 5.638 -2.227 1.00 0.00 H new ATOM 0 HB3 TYR A 103 -5.252 6.143 -3.651 1.00 0.00 H new ATOM 0 HD1 TYR A 103 -8.777 6.406 -2.290 1.00 0.00 H new ATOM 0 HD2 TYR A 103 -5.514 8.294 -4.370 1.00 0.00 H new ATOM 0 HE1 TYR A 103 -10.021 8.559 -2.269 1.00 0.00 H new ATOM 0 HE2 TYR A 103 -6.664 10.485 -4.205 1.00 0.00 H new ATOM 0 HH TYR A 103 -8.503 11.566 -3.559 1.00 0.00 H new ATOM 1553 N ALA A 104 -4.948 4.139 -5.469 1.00 0.00 N ATOM 1554 CA ALA A 104 -3.681 3.553 -5.855 1.00 0.00 C ATOM 1555 C ALA A 104 -2.629 4.656 -5.928 1.00 0.00 C ATOM 1556 O ALA A 104 -2.957 5.843 -6.005 1.00 0.00 O ATOM 1557 CB ALA A 104 -3.850 2.842 -7.198 1.00 0.00 C ATOM 0 H ALA A 104 -5.267 4.858 -6.119 1.00 0.00 H new ATOM 0 HA ALA A 104 -3.352 2.817 -5.122 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -2.900 2.398 -7.496 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -4.603 2.060 -7.103 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -4.167 3.561 -7.953 1.00 0.00 H new ATOM 1563 N ILE A 105 -1.364 4.254 -5.923 1.00 0.00 N ATOM 1564 CA ILE A 105 -0.201 5.100 -6.137 1.00 0.00 C ATOM 1565 C ILE A 105 0.429 4.577 -7.428 1.00 0.00 C ATOM 1566 O ILE A 105 0.620 3.367 -7.581 1.00 0.00 O ATOM 1567 CB ILE A 105 0.770 5.099 -4.920 1.00 0.00 C ATOM 1568 CG1 ILE A 105 2.245 5.164 -5.361 1.00 0.00 C ATOM 1569 CG2 ILE A 105 0.535 3.959 -3.927 1.00 0.00 C ATOM 1570 CD1 ILE A 105 3.210 5.383 -4.198 1.00 0.00 C ATOM 0 H ILE A 105 -1.111 3.279 -5.761 1.00 0.00 H new ATOM 0 HA ILE A 105 -0.469 6.152 -6.233 1.00 0.00 H new ATOM 0 HB ILE A 105 0.536 6.013 -4.375 1.00 0.00 H new ATOM 0 HG12 ILE A 105 2.506 4.237 -5.872 1.00 0.00 H new ATOM 0 HG13 ILE A 105 2.367 5.971 -6.083 1.00 0.00 H new ATOM 0 HG21 ILE A 105 1.254 4.033 -3.111 1.00 0.00 H new ATOM 0 HG22 ILE A 105 -0.477 4.028 -3.527 1.00 0.00 H new ATOM 0 HG23 ILE A 105 0.660 3.003 -4.435 1.00 0.00 H new ATOM 0 HD11 ILE A 105 4.232 5.419 -4.575 1.00 0.00 H new ATOM 0 HD12 ILE A 105 2.973 6.324 -3.701 1.00 0.00 H new ATOM 0 HD13 ILE A 105 3.115 4.563 -3.487 1.00 0.00 H new ATOM 1582 N LYS A 106 0.754 5.484 -8.343 1.00 0.00 N ATOM 1583 CA LYS A 106 1.488 5.166 -9.554 1.00 0.00 C ATOM 1584 C LYS A 106 2.934 4.850 -9.205 1.00 0.00 C ATOM 1585 O LYS A 106 3.472 5.430 -8.266 1.00 0.00 O ATOM 1586 CB LYS A 106 1.403 6.365 -10.501 1.00 0.00 C ATOM 1587 CG LYS A 106 1.638 5.896 -11.937 1.00 0.00 C ATOM 1588 CD LYS A 106 1.408 6.983 -12.986 1.00 0.00 C ATOM 1589 CE LYS A 106 1.625 6.301 -14.338 1.00 0.00 C ATOM 1590 NZ LYS A 106 1.359 7.182 -15.488 1.00 0.00 N ATOM 0 H LYS A 106 0.510 6.471 -8.260 1.00 0.00 H new ATOM 0 HA LYS A 106 1.059 4.292 -10.044 1.00 0.00 H new ATOM 0 HB2 LYS A 106 0.425 6.840 -10.417 1.00 0.00 H new ATOM 0 HB3 LYS A 106 2.146 7.114 -10.225 1.00 0.00 H new ATOM 0 HG2 LYS A 106 2.660 5.528 -12.027 1.00 0.00 H new ATOM 0 HG3 LYS A 106 0.977 5.055 -12.148 1.00 0.00 H new ATOM 0 HD2 LYS A 106 0.401 7.394 -12.911 1.00 0.00 H new ATOM 0 HD3 LYS A 106 2.102 7.813 -12.850 1.00 0.00 H new ATOM 0 HE2 LYS A 106 2.653 5.943 -14.395 1.00 0.00 H new ATOM 0 HE3 LYS A 106 0.978 5.426 -14.403 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 1.525 6.659 -16.372 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 0.371 7.505 -15.457 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 1.993 8.005 -15.449 1.00 0.00 H new ATOM 1604 N ASP A 107 3.579 4.000 -10.005 1.00 0.00 N ATOM 1605 CA ASP A 107 4.973 3.578 -9.831 1.00 0.00 C ATOM 1606 C ASP A 107 5.211 2.822 -8.515 1.00 0.00 C ATOM 1607 O ASP A 107 6.359 2.502 -8.203 1.00 0.00 O ATOM 1608 CB ASP A 107 5.962 4.751 -10.038 1.00 0.00 C ATOM 1609 CG ASP A 107 6.424 4.981 -11.473 1.00 0.00 C ATOM 1610 OD1 ASP A 107 6.402 4.041 -12.304 1.00 0.00 O ATOM 1611 OD2 ASP A 107 6.862 6.119 -11.751 1.00 0.00 O ATOM 0 H ASP A 107 3.134 3.572 -10.817 1.00 0.00 H new ATOM 0 HA ASP A 107 5.178 2.855 -10.621 1.00 0.00 H new ATOM 0 HB2 ASP A 107 5.493 5.666 -9.676 1.00 0.00 H new ATOM 0 HB3 ASP A 107 6.840 4.576 -9.417 1.00 0.00 H new ATOM 1616 N GLY A 108 4.155 2.484 -7.765 1.00 0.00 N ATOM 1617 CA GLY A 108 4.228 1.780 -6.493 1.00 0.00 C ATOM 1618 C GLY A 108 5.338 2.339 -5.606 1.00 0.00 C ATOM 1619 O GLY A 108 5.382 3.538 -5.339 1.00 0.00 O ATOM 0 H GLY A 108 3.198 2.703 -8.042 1.00 0.00 H new ATOM 0 HA2 GLY A 108 3.272 1.861 -5.976 1.00 0.00 H new ATOM 0 HA3 GLY A 108 4.404 0.719 -6.673 1.00 0.00 H new ATOM 1623 N ALA A 109 6.226 1.481 -5.118 1.00 0.00 N ATOM 1624 CA ALA A 109 7.335 1.839 -4.259 1.00 0.00 C ATOM 1625 C ALA A 109 8.609 2.085 -5.066 1.00 0.00 C ATOM 1626 O ALA A 109 9.378 2.982 -4.735 1.00 0.00 O ATOM 1627 CB ALA A 109 7.546 0.711 -3.245 1.00 0.00 C ATOM 0 H ALA A 109 6.187 0.482 -5.320 1.00 0.00 H new ATOM 0 HA ALA A 109 7.103 2.769 -3.740 1.00 0.00 H new ATOM 0 HB1 ALA A 109 8.379 0.963 -2.588 1.00 0.00 H new ATOM 0 HB2 ALA A 109 6.641 0.582 -2.651 1.00 0.00 H new ATOM 0 HB3 ALA A 109 7.768 -0.216 -3.773 1.00 0.00 H new ATOM 1633 N GLU A 110 8.867 1.243 -6.065 1.00 0.00 N ATOM 1634 CA GLU A 110 10.144 1.072 -6.741 1.00 0.00 C ATOM 1635 C GLU A 110 10.254 1.868 -8.045 1.00 0.00 C ATOM 1636 O GLU A 110 11.355 1.992 -8.598 1.00 0.00 O ATOM 1637 CB GLU A 110 10.355 -0.420 -7.047 1.00 0.00 C ATOM 1638 CG GLU A 110 10.992 -1.170 -5.873 1.00 0.00 C ATOM 1639 CD GLU A 110 12.506 -1.190 -6.073 1.00 0.00 C ATOM 1640 OE1 GLU A 110 12.980 -2.112 -6.777 1.00 0.00 O ATOM 1641 OE2 GLU A 110 13.198 -0.266 -5.578 1.00 0.00 O ATOM 0 H GLU A 110 8.146 0.628 -6.443 1.00 0.00 H new ATOM 0 HA GLU A 110 10.912 1.455 -6.068 1.00 0.00 H new ATOM 0 HB2 GLU A 110 9.396 -0.878 -7.290 1.00 0.00 H new ATOM 0 HB3 GLU A 110 10.989 -0.522 -7.927 1.00 0.00 H new ATOM 0 HG2 GLU A 110 10.741 -0.682 -4.931 1.00 0.00 H new ATOM 0 HG3 GLU A 110 10.604 -2.187 -5.818 1.00 0.00 H new ATOM 1648 N GLY A 111 9.146 2.383 -8.573 1.00 0.00 N ATOM 1649 CA GLY A 111 9.131 3.023 -9.877 1.00 0.00 C ATOM 1650 C GLY A 111 9.882 4.354 -9.871 1.00 0.00 C ATOM 1651 O GLY A 111 10.177 4.900 -8.804 1.00 0.00 O ATOM 0 H GLY A 111 8.239 2.366 -8.107 1.00 0.00 H new ATOM 0 HA2 GLY A 111 9.581 2.357 -10.613 1.00 0.00 H new ATOM 0 HA3 GLY A 111 8.099 3.190 -10.187 1.00 0.00 H new ATOM 1655 N PRO A 112 10.179 4.917 -11.049 1.00 0.00 N ATOM 1656 CA PRO A 112 11.006 6.112 -11.197 1.00 0.00 C ATOM 1657 C PRO A 112 10.431 7.362 -10.543 1.00 0.00 C ATOM 1658 O PRO A 112 11.185 8.306 -10.283 1.00 0.00 O ATOM 1659 CB PRO A 112 11.217 6.289 -12.704 1.00 0.00 C ATOM 1660 CG PRO A 112 10.039 5.533 -13.312 1.00 0.00 C ATOM 1661 CD PRO A 112 9.875 4.365 -12.354 1.00 0.00 C ATOM 0 HA PRO A 112 11.948 5.974 -10.667 1.00 0.00 H new ATOM 0 HB2 PRO A 112 11.212 7.341 -12.991 1.00 0.00 H new ATOM 0 HB3 PRO A 112 12.172 5.875 -13.028 1.00 0.00 H new ATOM 0 HG2 PRO A 112 9.141 6.149 -13.359 1.00 0.00 H new ATOM 0 HG3 PRO A 112 10.251 5.199 -14.328 1.00 0.00 H new ATOM 0 HD2 PRO A 112 8.862 3.963 -12.388 1.00 0.00 H new ATOM 0 HD3 PRO A 112 10.551 3.548 -12.606 1.00 0.00 H new ATOM 1669 N ARG A 113 9.138 7.350 -10.209 1.00 0.00 N ATOM 1670 CA ARG A 113 8.479 8.329 -9.361 1.00 0.00 C ATOM 1671 C ARG A 113 7.519 7.613 -8.407 1.00 0.00 C ATOM 1672 O ARG A 113 6.409 8.103 -8.170 1.00 0.00 O ATOM 1673 CB ARG A 113 7.784 9.363 -10.253 1.00 0.00 C ATOM 1674 CG ARG A 113 8.752 10.241 -11.043 1.00 0.00 C ATOM 1675 CD ARG A 113 9.642 11.144 -10.174 1.00 0.00 C ATOM 1676 NE ARG A 113 10.676 11.763 -11.011 1.00 0.00 N ATOM 1677 CZ ARG A 113 10.452 12.642 -11.989 1.00 0.00 C ATOM 1678 NH1 ARG A 113 9.316 13.330 -12.050 1.00 0.00 N ATOM 1679 NH2 ARG A 113 11.369 12.795 -12.930 1.00 0.00 N ATOM 0 H ARG A 113 8.501 6.625 -10.539 1.00 0.00 H new ATOM 0 HA ARG A 113 9.197 8.863 -8.739 1.00 0.00 H new ATOM 0 HB2 ARG A 113 7.126 8.845 -10.950 1.00 0.00 H new ATOM 0 HB3 ARG A 113 7.153 10.000 -9.633 1.00 0.00 H new ATOM 0 HG2 ARG A 113 9.390 9.601 -11.652 1.00 0.00 H new ATOM 0 HG3 ARG A 113 8.180 10.866 -11.728 1.00 0.00 H new ATOM 0 HD2 ARG A 113 9.038 11.914 -9.694 1.00 0.00 H new ATOM 0 HD3 ARG A 113 10.105 10.560 -9.379 1.00 0.00 H new ATOM 0 HE ARG A 113 11.645 11.500 -10.830 1.00 0.00 H new ATOM 0 HH11 ARG A 113 8.596 13.190 -11.341 1.00 0.00 H new ATOM 0 HH12 ARG A 113 9.164 13.998 -12.806 1.00 0.00 H new ATOM 0 HH21 ARG A 113 12.228 12.246 -12.899 1.00 0.00 H new ATOM 0 HH22 ARG A 113 11.217 13.462 -13.687 1.00 0.00 H new ATOM 1693 N GLY A 114 7.920 6.456 -7.883 1.00 0.00 N ATOM 1694 CA GLY A 114 7.170 5.707 -6.888 1.00 0.00 C ATOM 1695 C GLY A 114 7.247 6.393 -5.529 1.00 0.00 C ATOM 1696 O GLY A 114 7.505 7.592 -5.430 1.00 0.00 O ATOM 0 H GLY A 114 8.797 6.007 -8.148 1.00 0.00 H new ATOM 0 HA2 GLY A 114 6.129 5.620 -7.199 1.00 0.00 H new ATOM 0 HA3 GLY A 114 7.566 4.694 -6.813 1.00 0.00 H new ATOM 1700 N TRP A 115 7.001 5.628 -4.471 1.00 0.00 N ATOM 1701 CA TRP A 115 7.102 6.065 -3.087 1.00 0.00 C ATOM 1702 C TRP A 115 8.545 6.424 -2.737 1.00 0.00 C ATOM 1703 O TRP A 115 8.783 7.452 -2.095 1.00 0.00 O ATOM 1704 CB TRP A 115 6.628 4.930 -2.182 1.00 0.00 C ATOM 1705 CG TRP A 115 6.343 5.291 -0.760 1.00 0.00 C ATOM 1706 CD1 TRP A 115 7.282 5.519 0.184 1.00 0.00 C ATOM 1707 CD2 TRP A 115 5.059 5.430 -0.089 1.00 0.00 C ATOM 1708 NE1 TRP A 115 6.669 5.719 1.404 1.00 0.00 N ATOM 1709 CE2 TRP A 115 5.292 5.668 1.295 1.00 0.00 C ATOM 1710 CE3 TRP A 115 3.719 5.354 -0.513 1.00 0.00 C ATOM 1711 CZ2 TRP A 115 4.235 5.793 2.211 1.00 0.00 C ATOM 1712 CZ3 TRP A 115 2.655 5.475 0.392 1.00 0.00 C ATOM 1713 CH2 TRP A 115 2.912 5.679 1.755 1.00 0.00 C ATOM 0 H TRP A 115 6.716 4.653 -4.559 1.00 0.00 H new ATOM 0 HA TRP A 115 6.483 6.951 -2.945 1.00 0.00 H new ATOM 0 HB2 TRP A 115 5.723 4.503 -2.614 1.00 0.00 H new ATOM 0 HB3 TRP A 115 7.386 4.147 -2.191 1.00 0.00 H new ATOM 0 HD1 TRP A 115 8.348 5.541 0.011 1.00 0.00 H new ATOM 0 HE1 TRP A 115 7.170 5.884 2.277 1.00 0.00 H new ATOM 0 HE3 TRP A 115 3.505 5.199 -1.560 1.00 0.00 H new ATOM 0 HZ2 TRP A 115 4.438 5.975 3.256 1.00 0.00 H new ATOM 0 HZ3 TRP A 115 1.636 5.411 0.039 1.00 0.00 H new ATOM 0 HH2 TRP A 115 2.092 5.748 2.454 1.00 0.00 H new ATOM 1724 N LEU A 116 9.510 5.581 -3.136 1.00 0.00 N ATOM 1725 CA LEU A 116 10.901 5.892 -3.072 1.00 0.00 C ATOM 1726 C LEU A 116 11.122 7.061 -4.014 1.00 0.00 C ATOM 1727 O LEU A 116 10.250 7.588 -4.703 1.00 0.00 O ATOM 1728 CB LEU A 116 11.795 4.700 -3.498 1.00 0.00 C ATOM 1729 CG LEU A 116 11.771 3.489 -2.560 1.00 0.00 C ATOM 1730 CD1 LEU A 116 12.577 2.344 -3.180 1.00 0.00 C ATOM 1731 CD2 LEU A 116 12.326 3.801 -1.166 1.00 0.00 C ATOM 0 H LEU A 116 9.317 4.654 -3.515 1.00 0.00 H new ATOM 0 HA LEU A 116 11.177 6.129 -2.044 1.00 0.00 H new ATOM 0 HB2 LEU A 116 11.487 4.374 -4.491 1.00 0.00 H new ATOM 0 HB3 LEU A 116 12.823 5.052 -3.583 1.00 0.00 H new ATOM 0 HG LEU A 116 10.726 3.204 -2.436 1.00 0.00 H new ATOM 0 HD11 LEU A 116 12.559 1.483 -2.512 1.00 0.00 H new ATOM 0 HD12 LEU A 116 12.139 2.068 -4.139 1.00 0.00 H new ATOM 0 HD13 LEU A 116 13.608 2.665 -3.331 1.00 0.00 H new ATOM 0 HD21 LEU A 116 12.282 2.904 -0.548 1.00 0.00 H new ATOM 0 HD22 LEU A 116 13.361 4.132 -1.252 1.00 0.00 H new ATOM 0 HD23 LEU A 116 11.730 4.589 -0.705 1.00 0.00 H new ATOM 1743 N ASN A 117 12.355 7.483 -3.953 1.00 0.00 N ATOM 1744 CA ASN A 117 12.994 8.558 -4.689 1.00 0.00 C ATOM 1745 C ASN A 117 12.192 9.875 -4.730 1.00 0.00 C ATOM 1746 O ASN A 117 12.463 10.750 -5.555 1.00 0.00 O ATOM 1747 CB ASN A 117 13.383 7.998 -6.054 1.00 0.00 C ATOM 1748 CG ASN A 117 12.196 7.716 -6.970 1.00 0.00 C ATOM 1749 OD1 ASN A 117 11.455 8.613 -7.358 1.00 0.00 O ATOM 1750 ND2 ASN A 117 12.009 6.462 -7.344 1.00 0.00 N ATOM 0 H ASN A 117 13.016 7.037 -3.317 1.00 0.00 H new ATOM 0 HA ASN A 117 13.892 8.881 -4.162 1.00 0.00 H new ATOM 0 HB2 ASN A 117 14.050 8.704 -6.548 1.00 0.00 H new ATOM 0 HB3 ASN A 117 13.945 7.075 -5.910 1.00 0.00 H new ATOM 0 HD21 ASN A 117 11.237 6.225 -7.967 1.00 0.00 H new ATOM 0 HD22 ASN A 117 12.637 5.731 -7.010 1.00 0.00 H new ATOM 1757 N SER A 118 11.239 10.039 -3.807 1.00 0.00 N ATOM 1758 CA SER A 118 10.224 11.083 -3.749 1.00 0.00 C ATOM 1759 C SER A 118 10.121 11.694 -2.344 1.00 0.00 C ATOM 1760 O SER A 118 9.129 12.359 -2.031 1.00 0.00 O ATOM 1761 CB SER A 118 8.900 10.458 -4.198 1.00 0.00 C ATOM 1762 OG SER A 118 9.045 9.964 -5.514 1.00 0.00 O ATOM 0 H SER A 118 11.155 9.392 -3.023 1.00 0.00 H new ATOM 0 HA SER A 118 10.491 11.908 -4.410 1.00 0.00 H new ATOM 0 HB2 SER A 118 8.617 9.651 -3.522 1.00 0.00 H new ATOM 0 HB3 SER A 118 8.102 11.200 -4.160 1.00 0.00 H new ATOM 0 HG SER A 118 9.474 9.083 -5.487 1.00 0.00 H new ATOM 1768 N SER A 119 11.126 11.436 -1.497 1.00 0.00 N ATOM 1769 CA SER A 119 11.272 11.885 -0.119 1.00 0.00 C ATOM 1770 C SER A 119 10.076 11.524 0.775 1.00 0.00 C ATOM 1771 O SER A 119 9.706 12.271 1.688 1.00 0.00 O ATOM 1772 CB SER A 119 11.667 13.364 -0.110 1.00 0.00 C ATOM 1773 OG SER A 119 12.494 13.628 1.003 1.00 0.00 O ATOM 0 H SER A 119 11.917 10.862 -1.787 1.00 0.00 H new ATOM 0 HA SER A 119 12.085 11.331 0.350 1.00 0.00 H new ATOM 0 HB2 SER A 119 12.190 13.616 -1.032 1.00 0.00 H new ATOM 0 HB3 SER A 119 10.775 13.989 -0.069 1.00 0.00 H new ATOM 0 HG SER A 119 12.747 14.575 1.006 1.00 0.00 H new ATOM 1779 N LEU A 120 9.469 10.360 0.525 1.00 0.00 N ATOM 1780 CA LEU A 120 8.536 9.734 1.453 1.00 0.00 C ATOM 1781 C LEU A 120 9.296 8.828 2.422 1.00 0.00 C ATOM 1782 O LEU A 120 10.368 8.325 2.075 1.00 0.00 O ATOM 1783 CB LEU A 120 7.470 8.944 0.685 1.00 0.00 C ATOM 1784 CG LEU A 120 6.549 9.836 -0.159 1.00 0.00 C ATOM 1785 CD1 LEU A 120 5.473 8.986 -0.831 1.00 0.00 C ATOM 1786 CD2 LEU A 120 5.898 10.909 0.716 1.00 0.00 C ATOM 0 H LEU A 120 9.615 9.827 -0.332 1.00 0.00 H new ATOM 0 HA LEU A 120 8.031 10.509 2.029 1.00 0.00 H new ATOM 0 HB2 LEU A 120 7.961 8.221 0.034 1.00 0.00 H new ATOM 0 HB3 LEU A 120 6.866 8.377 1.393 1.00 0.00 H new ATOM 0 HG LEU A 120 7.146 10.328 -0.927 1.00 0.00 H new ATOM 0 HD11 LEU A 120 4.824 9.626 -1.428 1.00 0.00 H new ATOM 0 HD12 LEU A 120 5.945 8.245 -1.476 1.00 0.00 H new ATOM 0 HD13 LEU A 120 4.881 8.479 -0.069 1.00 0.00 H new ATOM 0 HD21 LEU A 120 5.248 11.533 0.103 1.00 0.00 H new ATOM 0 HD22 LEU A 120 5.309 10.432 1.499 1.00 0.00 H new ATOM 0 HD23 LEU A 120 6.672 11.527 1.170 1.00 0.00 H new ATOM 1798 N PRO A 121 8.768 8.629 3.638 1.00 0.00 N ATOM 1799 CA PRO A 121 9.473 7.894 4.679 1.00 0.00 C ATOM 1800 C PRO A 121 9.488 6.394 4.378 1.00 0.00 C ATOM 1801 O PRO A 121 8.615 5.903 3.653 1.00 0.00 O ATOM 1802 CB PRO A 121 8.713 8.219 5.966 1.00 0.00 C ATOM 1803 CG PRO A 121 7.324 8.665 5.530 1.00 0.00 C ATOM 1804 CD PRO A 121 7.507 9.181 4.117 1.00 0.00 C ATOM 0 HA PRO A 121 10.522 8.178 4.755 1.00 0.00 H new ATOM 0 HB2 PRO A 121 8.657 7.347 6.617 1.00 0.00 H new ATOM 0 HB3 PRO A 121 9.217 9.005 6.529 1.00 0.00 H new ATOM 0 HG2 PRO A 121 6.616 7.837 5.560 1.00 0.00 H new ATOM 0 HG3 PRO A 121 6.934 9.442 6.187 1.00 0.00 H new ATOM 0 HD2 PRO A 121 6.680 8.870 3.480 1.00 0.00 H new ATOM 0 HD3 PRO A 121 7.529 10.271 4.101 1.00 0.00 H new ATOM 1812 N TRP A 122 10.393 5.633 5.000 1.00 0.00 N ATOM 1813 CA TRP A 122 10.460 4.182 4.842 1.00 0.00 C ATOM 1814 C TRP A 122 11.012 3.540 6.120 1.00 0.00 C ATOM 1815 O TRP A 122 11.830 4.154 6.813 1.00 0.00 O ATOM 1816 CB TRP A 122 11.332 3.859 3.622 1.00 0.00 C ATOM 1817 CG TRP A 122 11.107 2.504 3.035 1.00 0.00 C ATOM 1818 CD1 TRP A 122 11.998 1.493 3.032 1.00 0.00 C ATOM 1819 CD2 TRP A 122 9.941 2.011 2.315 1.00 0.00 C ATOM 1820 NE1 TRP A 122 11.475 0.411 2.344 1.00 0.00 N ATOM 1821 CE2 TRP A 122 10.174 0.656 1.941 1.00 0.00 C ATOM 1822 CE3 TRP A 122 8.733 2.597 1.889 1.00 0.00 C ATOM 1823 CZ2 TRP A 122 9.208 -0.091 1.246 1.00 0.00 C ATOM 1824 CZ3 TRP A 122 7.759 1.857 1.190 1.00 0.00 C ATOM 1825 CH2 TRP A 122 7.991 0.510 0.875 1.00 0.00 C ATOM 0 H TRP A 122 11.102 6.010 5.629 1.00 0.00 H new ATOM 0 HA TRP A 122 9.464 3.772 4.677 1.00 0.00 H new ATOM 0 HB2 TRP A 122 11.148 4.609 2.852 1.00 0.00 H new ATOM 0 HB3 TRP A 122 12.380 3.947 3.908 1.00 0.00 H new ATOM 0 HD1 TRP A 122 12.973 1.522 3.496 1.00 0.00 H new ATOM 0 HE1 TRP A 122 11.983 -0.454 2.158 1.00 0.00 H new ATOM 0 HE3 TRP A 122 8.549 3.639 2.104 1.00 0.00 H new ATOM 0 HZ2 TRP A 122 9.399 -1.124 0.997 1.00 0.00 H new ATOM 0 HZ3 TRP A 122 6.832 2.328 0.896 1.00 0.00 H new ATOM 0 HH2 TRP A 122 7.240 -0.062 0.351 1.00 0.00 H new ATOM 1836 N ILE A 123 10.545 2.332 6.459 1.00 0.00 N ATOM 1837 CA ILE A 123 11.049 1.533 7.579 1.00 0.00 C ATOM 1838 C ILE A 123 12.298 0.789 7.158 1.00 0.00 C ATOM 1839 O ILE A 123 13.184 0.667 8.000 1.00 0.00 O ATOM 1840 CB ILE A 123 10.010 0.514 8.134 1.00 0.00 C ATOM 1841 CG1 ILE A 123 8.753 1.219 8.642 1.00 0.00 C ATOM 1842 CG2 ILE A 123 10.618 -0.346 9.253 1.00 0.00 C ATOM 1843 CD1 ILE A 123 7.581 0.297 8.969 1.00 0.00 C ATOM 0 H ILE A 123 9.789 1.874 5.950 1.00 0.00 H new ATOM 0 HA ILE A 123 11.267 2.236 8.383 1.00 0.00 H new ATOM 0 HB ILE A 123 9.728 -0.138 7.308 1.00 0.00 H new ATOM 0 HG12 ILE A 123 9.010 1.786 9.537 1.00 0.00 H new ATOM 0 HG13 ILE A 123 8.430 1.939 7.890 1.00 0.00 H new ATOM 0 HG21 ILE A 123 9.869 -1.048 9.620 1.00 0.00 H new ATOM 0 HG22 ILE A 123 11.473 -0.899 8.863 1.00 0.00 H new ATOM 0 HG23 ILE A 123 10.944 0.298 10.070 1.00 0.00 H new ATOM 0 HD11 ILE A 123 6.738 0.891 9.321 1.00 0.00 H new ATOM 0 HD12 ILE A 123 7.289 -0.252 8.074 1.00 0.00 H new ATOM 0 HD13 ILE A 123 7.878 -0.407 9.746 1.00 0.00 H new ATOM 1855 N GLU A 124 12.342 0.292 5.912 1.00 0.00 N ATOM 1856 CA GLU A 124 13.459 -0.476 5.354 1.00 0.00 C ATOM 1857 C GLU A 124 13.702 -1.793 6.135 1.00 0.00 C ATOM 1858 O GLU A 124 13.105 -2.014 7.192 1.00 0.00 O ATOM 1859 CB GLU A 124 14.620 0.506 5.113 1.00 0.00 C ATOM 1860 CG GLU A 124 15.449 0.941 6.281 1.00 0.00 C ATOM 1861 CD GLU A 124 16.874 1.327 5.933 1.00 0.00 C ATOM 1862 OE1 GLU A 124 17.575 0.566 5.224 1.00 0.00 O ATOM 1863 OE2 GLU A 124 17.343 2.373 6.432 1.00 0.00 O ATOM 0 H GLU A 124 11.578 0.419 5.248 1.00 0.00 H new ATOM 0 HA GLU A 124 13.258 -0.898 4.370 1.00 0.00 H new ATOM 0 HB2 GLU A 124 15.290 0.052 4.383 1.00 0.00 H new ATOM 0 HB3 GLU A 124 14.205 1.402 4.651 1.00 0.00 H new ATOM 0 HG2 GLU A 124 14.962 1.791 6.759 1.00 0.00 H new ATOM 0 HG3 GLU A 124 15.473 0.134 7.014 1.00 0.00 H new ATOM 1870 N PRO A 125 14.527 -2.729 5.648 1.00 0.00 N ATOM 1871 CA PRO A 125 15.006 -3.857 6.447 1.00 0.00 C ATOM 1872 C PRO A 125 16.011 -3.390 7.525 1.00 0.00 C ATOM 1873 O PRO A 125 16.092 -2.207 7.860 1.00 0.00 O ATOM 1874 CB PRO A 125 15.646 -4.781 5.411 1.00 0.00 C ATOM 1875 CG PRO A 125 16.321 -3.769 4.482 1.00 0.00 C ATOM 1876 CD PRO A 125 15.274 -2.660 4.402 1.00 0.00 C ATOM 0 HA PRO A 125 14.216 -4.356 7.008 1.00 0.00 H new ATOM 0 HB2 PRO A 125 16.363 -5.468 5.860 1.00 0.00 H new ATOM 0 HB3 PRO A 125 14.906 -5.388 4.889 1.00 0.00 H new ATOM 0 HG2 PRO A 125 17.266 -3.409 4.889 1.00 0.00 H new ATOM 0 HG3 PRO A 125 16.538 -4.196 3.503 1.00 0.00 H new ATOM 0 HD2 PRO A 125 15.746 -1.685 4.283 1.00 0.00 H new ATOM 0 HD3 PRO A 125 14.617 -2.804 3.544 1.00 0.00 H new