USER MOD reduce.3.24.130724 H: found=0, std=0, add=957, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 957 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 85 THR OG1 : rot 180:sc= 0.282 USER MOD Set 1.2: A 89 GLN : amide:sc= -3.32! K(o=-3!,f=1.1) USER MOD Set 2.1: A 1 MET CE :methyl 163:sc= 0 (180deg=0) USER MOD Set 2.2: A 107 HIS : no HD1:sc= -0.0628 X(o=-0.063,f=0) USER MOD Single : A 1 MET N :NH3+ -156:sc= 1.31 (180deg=0.465!) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 4 LYS NZ :NH3+ 142:sc= 1.25 (180deg=-1.17) USER MOD Single : A 10 SER OG : rot 97:sc= 0.0111 USER MOD Single : A 11 SER OG : rot 180:sc= -0.0363 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot 86:sc= 0.0286 USER MOD Single : A 22 LYS NZ :NH3+ 165:sc= -0.041 (180deg=-0.286) USER MOD Single : A 24 LYS NZ :NH3+ 174:sc= 0.607 (180deg=0.562) USER MOD Single : A 31 TYR OH : rot 30:sc= 0.581 USER MOD Single : A 35 LYS NZ :NH3+ -142:sc= 1.5 (180deg=0.0597) USER MOD Single : A 37 LYS NZ :NH3+ -166:sc= 0.307 (180deg=0.155) USER MOD Single : A 40 LYS NZ :NH3+ -173:sc= 0.438 (180deg=0.339) USER MOD Single : A 45 LYS NZ :NH3+ -127:sc= 1.09 (180deg=-1.32) USER MOD Single : A 47 GLN : amide:sc= -1.19 K(o=-1.2,f=-0.071) USER MOD Single : A 48 LYS NZ :NH3+ 172:sc=-0.00726 (180deg=-0.0963) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 52 GLN : amide:sc= 0.258 K(o=0.26,f=-4.1!) USER MOD Single : A 58 LYS NZ :NH3+ -148:sc= 0.604 (180deg=-0.0361) USER MOD Single : A 60 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.00831) USER MOD Single : A 67 LYS NZ :NH3+ -121:sc= 0.296 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 LYS NZ :NH3+ -149:sc= 0.368 (180deg=0.068) USER MOD Single : A 78 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 83 LYS NZ :NH3+ -178:sc= -0.0186 (180deg=-0.0189) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 GLN : amide:sc= 0.313 X(o=0.31,f=0) USER MOD Single : A 98 LYS NZ :NH3+ -127:sc= 0.46 (180deg=-0.106) USER MOD Single : A 99 LYS NZ :NH3+ -171:sc= -0.0118 (180deg=-0.109) USER MOD Single : A 100 LYS NZ :NH3+ 168:sc= 0.47 (180deg=0.272) USER MOD Single : A 102 SER OG : rot 180:sc= 0.00389 USER MOD Single : A 105 HIS : no HE2:sc= -0.834 X(o=-0.83,f=-1.1) USER MOD Single : A 106 HIS : no HD1:sc=-0.00486 X(o=-0.0049,f=-0.26) USER MOD Single : A 108 HIS : no HD1:sc= 0 X(o=0,f=-0.01) USER MOD Single : A 109 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 110 HIS : no HD1:sc= -0.0022 X(o=-0.0022,f=-0.3) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 0.497 18.150 -8.032 1.00 23.34 N ATOM 2 CA MET A 1 0.347 16.684 -7.941 1.00 73.14 C ATOM 3 C MET A 1 -0.415 16.149 -9.150 1.00 34.44 C ATOM 4 O MET A 1 -1.479 16.663 -9.515 1.00 43.14 O ATOM 5 CB MET A 1 -0.337 16.270 -6.606 1.00 32.12 C ATOM 6 CG MET A 1 -1.777 16.770 -6.395 1.00 12.03 C ATOM 7 SD MET A 1 -1.942 18.559 -6.533 1.00 63.12 S ATOM 8 CE MET A 1 -3.555 18.851 -5.806 1.00 61.34 C ATOM 0 H1 MET A 1 1.320 18.450 -7.471 1.00 23.34 H new ATOM 0 H2 MET A 1 0.637 18.424 -9.026 1.00 23.34 H new ATOM 0 H3 MET A 1 -0.360 18.610 -7.663 1.00 23.34 H new ATOM 0 HA MET A 1 1.341 16.237 -7.946 1.00 73.14 H new ATOM 0 HB2 MET A 1 -0.340 15.182 -6.546 1.00 32.12 H new ATOM 0 HB3 MET A 1 0.276 16.633 -5.781 1.00 32.12 H new ATOM 0 HG2 MET A 1 -2.429 16.295 -7.128 1.00 12.03 H new ATOM 0 HG3 MET A 1 -2.122 16.456 -5.410 1.00 12.03 H new ATOM 0 HE1 MET A 1 -3.654 19.906 -5.552 1.00 61.34 H new ATOM 0 HE2 MET A 1 -4.331 18.575 -6.520 1.00 61.34 H new ATOM 0 HE3 MET A 1 -3.662 18.249 -4.903 1.00 61.34 H new ATOM 20 N GLY A 2 0.168 15.143 -9.801 1.00 14.42 N ATOM 21 CA GLY A 2 -0.483 14.417 -10.878 1.00 64.44 C ATOM 22 C GLY A 2 -0.530 12.947 -10.563 1.00 75.51 C ATOM 23 O GLY A 2 -1.177 12.542 -9.588 1.00 44.33 O ATOM 0 H GLY A 2 1.109 14.811 -9.591 1.00 14.42 H new ATOM 0 HA2 GLY A 2 -1.494 14.797 -11.023 1.00 64.44 H new ATOM 0 HA3 GLY A 2 0.055 14.579 -11.812 1.00 64.44 H new ATOM 27 N SER A 3 0.166 12.140 -11.373 1.00 72.45 N ATOM 28 CA SER A 3 0.315 10.715 -11.120 1.00 55.45 C ATOM 29 C SER A 3 1.238 10.499 -9.897 1.00 23.52 C ATOM 30 O SER A 3 2.461 10.632 -9.991 1.00 21.01 O ATOM 31 CB SER A 3 0.859 10.011 -12.384 1.00 73.02 C ATOM 32 OG SER A 3 0.032 10.257 -13.513 1.00 5.20 O ATOM 0 H SER A 3 0.638 12.462 -12.218 1.00 72.45 H new ATOM 0 HA SER A 3 -0.655 10.274 -10.889 1.00 55.45 H new ATOM 0 HB2 SER A 3 1.871 10.361 -12.590 1.00 73.02 H new ATOM 0 HB3 SER A 3 0.923 8.938 -12.205 1.00 73.02 H new ATOM 0 HG SER A 3 0.403 9.800 -14.296 1.00 5.20 H new ATOM 38 N LYS A 4 0.620 10.269 -8.729 1.00 24.53 N ATOM 39 CA LYS A 4 1.319 9.798 -7.529 1.00 42.23 C ATOM 40 C LYS A 4 0.618 8.539 -7.027 1.00 25.41 C ATOM 41 O LYS A 4 -0.601 8.540 -6.828 1.00 22.42 O ATOM 42 CB LYS A 4 1.335 10.880 -6.412 1.00 63.03 C ATOM 43 CG LYS A 4 1.918 10.376 -5.061 1.00 32.31 C ATOM 44 CD LYS A 4 1.937 11.455 -3.964 1.00 71.13 C ATOM 45 CE LYS A 4 2.983 12.561 -4.173 1.00 52.31 C ATOM 46 NZ LYS A 4 4.373 12.073 -3.986 1.00 55.01 N ATOM 0 H LYS A 4 -0.382 10.405 -8.592 1.00 24.53 H new ATOM 0 HA LYS A 4 2.356 9.583 -7.785 1.00 42.23 H new ATOM 0 HB2 LYS A 4 1.920 11.734 -6.754 1.00 63.03 H new ATOM 0 HB3 LYS A 4 0.318 11.236 -6.248 1.00 63.03 H new ATOM 0 HG2 LYS A 4 1.330 9.526 -4.714 1.00 32.31 H new ATOM 0 HG3 LYS A 4 2.934 10.016 -5.224 1.00 32.31 H new ATOM 0 HD2 LYS A 4 0.950 11.913 -3.906 1.00 71.13 H new ATOM 0 HD3 LYS A 4 2.122 10.975 -3.003 1.00 71.13 H new ATOM 0 HE2 LYS A 4 2.878 12.971 -5.177 1.00 52.31 H new ATOM 0 HE3 LYS A 4 2.790 13.375 -3.474 1.00 52.31 H new ATOM 0 HZ1 LYS A 4 4.997 12.527 -4.683 1.00 55.01 H new ATOM 0 HZ2 LYS A 4 4.697 12.308 -3.026 1.00 55.01 H new ATOM 0 HZ3 LYS A 4 4.400 11.042 -4.118 1.00 55.01 H new ATOM 60 N ILE A 5 1.395 7.482 -6.812 1.00 14.03 N ATOM 61 CA ILE A 5 0.910 6.229 -6.238 1.00 72.12 C ATOM 62 C ILE A 5 1.677 5.972 -4.940 1.00 43.42 C ATOM 63 O ILE A 5 2.872 6.307 -4.822 1.00 20.42 O ATOM 64 CB ILE A 5 1.069 5.017 -7.236 1.00 31.32 C ATOM 65 CG1 ILE A 5 2.569 4.696 -7.518 1.00 20.43 C ATOM 66 CG2 ILE A 5 0.310 5.294 -8.563 1.00 44.54 C ATOM 67 CD1 ILE A 5 2.797 3.512 -8.428 1.00 10.11 C ATOM 0 H ILE A 5 2.391 7.470 -7.034 1.00 14.03 H new ATOM 0 HA ILE A 5 -0.157 6.319 -6.036 1.00 72.12 H new ATOM 0 HB ILE A 5 0.628 4.141 -6.760 1.00 31.32 H new ATOM 0 HG12 ILE A 5 3.038 5.574 -7.961 1.00 20.43 H new ATOM 0 HG13 ILE A 5 3.072 4.511 -6.569 1.00 20.43 H new ATOM 0 HG21 ILE A 5 0.433 4.446 -9.236 1.00 44.54 H new ATOM 0 HG22 ILE A 5 -0.750 5.440 -8.353 1.00 44.54 H new ATOM 0 HG23 ILE A 5 0.713 6.191 -9.032 1.00 44.54 H new ATOM 0 HD11 ILE A 5 3.867 3.362 -8.569 1.00 10.11 H new ATOM 0 HD12 ILE A 5 2.361 2.619 -7.979 1.00 10.11 H new ATOM 0 HD13 ILE A 5 2.327 3.699 -9.393 1.00 10.11 H new ATOM 79 N ILE A 6 0.975 5.436 -3.952 1.00 60.23 N ATOM 80 CA ILE A 6 1.557 5.100 -2.654 1.00 44.00 C ATOM 81 C ILE A 6 1.441 3.594 -2.441 1.00 14.45 C ATOM 82 O ILE A 6 0.365 3.032 -2.603 1.00 41.41 O ATOM 83 CB ILE A 6 0.832 5.858 -1.491 1.00 32.11 C ATOM 84 CG1 ILE A 6 0.835 7.411 -1.718 1.00 44.41 C ATOM 85 CG2 ILE A 6 1.456 5.490 -0.131 1.00 61.23 C ATOM 86 CD1 ILE A 6 2.192 8.086 -1.767 1.00 75.10 C ATOM 0 H ILE A 6 -0.019 5.220 -4.025 1.00 60.23 H new ATOM 0 HA ILE A 6 2.603 5.405 -2.648 1.00 44.00 H new ATOM 0 HB ILE A 6 -0.210 5.539 -1.485 1.00 32.11 H new ATOM 0 HG12 ILE A 6 0.316 7.620 -2.654 1.00 44.41 H new ATOM 0 HG13 ILE A 6 0.253 7.873 -0.921 1.00 44.41 H new ATOM 0 HG21 ILE A 6 0.938 6.027 0.664 1.00 61.23 H new ATOM 0 HG22 ILE A 6 1.361 4.417 0.034 1.00 61.23 H new ATOM 0 HG23 ILE A 6 2.511 5.766 -0.128 1.00 61.23 H new ATOM 0 HD11 ILE A 6 2.061 9.156 -1.928 1.00 75.10 H new ATOM 0 HD12 ILE A 6 2.714 7.923 -0.824 1.00 75.10 H new ATOM 0 HD13 ILE A 6 2.778 7.665 -2.584 1.00 75.10 H new ATOM 98 N VAL A 7 2.551 2.962 -2.056 1.00 2.22 N ATOM 99 CA VAL A 7 2.619 1.520 -1.820 1.00 74.21 C ATOM 100 C VAL A 7 2.807 1.297 -0.309 1.00 3.34 C ATOM 101 O VAL A 7 3.894 1.513 0.215 1.00 62.10 O ATOM 102 CB VAL A 7 3.794 0.854 -2.637 1.00 1.23 C ATOM 103 CG1 VAL A 7 3.777 -0.677 -2.462 1.00 4.50 C ATOM 104 CG2 VAL A 7 3.739 1.251 -4.139 1.00 32.14 C ATOM 0 H VAL A 7 3.437 3.442 -1.898 1.00 2.22 H new ATOM 0 HA VAL A 7 1.697 1.049 -2.161 1.00 74.21 H new ATOM 0 HB VAL A 7 4.736 1.231 -2.238 1.00 1.23 H new ATOM 0 HG11 VAL A 7 4.594 -1.118 -3.033 1.00 4.50 H new ATOM 0 HG12 VAL A 7 3.897 -0.924 -1.407 1.00 4.50 H new ATOM 0 HG13 VAL A 7 2.828 -1.074 -2.822 1.00 4.50 H new ATOM 0 HG21 VAL A 7 4.562 0.775 -4.672 1.00 32.14 H new ATOM 0 HG22 VAL A 7 2.792 0.923 -4.568 1.00 32.14 H new ATOM 0 HG23 VAL A 7 3.824 2.334 -4.233 1.00 32.14 H new ATOM 114 N ILE A 8 1.733 0.881 0.376 1.00 62.00 N ATOM 115 CA ILE A 8 1.689 0.771 1.845 1.00 73.34 C ATOM 116 C ILE A 8 1.826 -0.707 2.250 1.00 43.23 C ATOM 117 O ILE A 8 1.042 -1.545 1.820 1.00 22.14 O ATOM 118 CB ILE A 8 0.351 1.381 2.423 1.00 4.43 C ATOM 119 CG1 ILE A 8 0.271 2.908 2.100 1.00 3.41 C ATOM 120 CG2 ILE A 8 0.216 1.124 3.941 1.00 61.14 C ATOM 121 CD1 ILE A 8 -0.961 3.636 2.618 1.00 54.02 C ATOM 0 H ILE A 8 0.860 0.608 -0.076 1.00 62.00 H new ATOM 0 HA ILE A 8 2.518 1.341 2.264 1.00 73.34 H new ATOM 0 HB ILE A 8 -0.486 0.879 1.939 1.00 4.43 H new ATOM 0 HG12 ILE A 8 1.156 3.393 2.513 1.00 3.41 H new ATOM 0 HG13 ILE A 8 0.314 3.033 1.018 1.00 3.41 H new ATOM 0 HG21 ILE A 8 -0.716 1.558 4.302 1.00 61.14 H new ATOM 0 HG22 ILE A 8 0.213 0.050 4.129 1.00 61.14 H new ATOM 0 HG23 ILE A 8 1.056 1.582 4.464 1.00 61.14 H new ATOM 0 HD11 ILE A 8 -0.908 4.687 2.335 1.00 54.02 H new ATOM 0 HD12 ILE A 8 -1.856 3.189 2.186 1.00 54.02 H new ATOM 0 HD13 ILE A 8 -1.002 3.554 3.704 1.00 54.02 H new ATOM 133 N ILE A 9 2.801 -0.992 3.116 1.00 55.04 N ATOM 134 CA ILE A 9 3.151 -2.347 3.544 1.00 71.13 C ATOM 135 C ILE A 9 2.492 -2.564 4.908 1.00 54.01 C ATOM 136 O ILE A 9 2.999 -2.093 5.933 1.00 43.41 O ATOM 137 CB ILE A 9 4.717 -2.584 3.650 1.00 32.23 C ATOM 138 CG1 ILE A 9 5.437 -2.477 2.257 1.00 64.02 C ATOM 139 CG2 ILE A 9 5.027 -3.960 4.313 1.00 53.12 C ATOM 140 CD1 ILE A 9 5.476 -1.095 1.622 1.00 71.03 C ATOM 0 H ILE A 9 3.381 -0.272 3.548 1.00 55.04 H new ATOM 0 HA ILE A 9 2.796 -3.058 2.798 1.00 71.13 H new ATOM 0 HB ILE A 9 5.111 -1.788 4.281 1.00 32.23 H new ATOM 0 HG12 ILE A 9 6.462 -2.829 2.374 1.00 64.02 H new ATOM 0 HG13 ILE A 9 4.943 -3.158 1.564 1.00 64.02 H new ATOM 0 HG21 ILE A 9 6.106 -4.099 4.374 1.00 53.12 H new ATOM 0 HG22 ILE A 9 4.600 -3.985 5.316 1.00 53.12 H new ATOM 0 HG23 ILE A 9 4.592 -4.759 3.713 1.00 53.12 H new ATOM 0 HD11 ILE A 9 5.997 -1.148 0.666 1.00 71.03 H new ATOM 0 HD12 ILE A 9 4.458 -0.740 1.461 1.00 71.03 H new ATOM 0 HD13 ILE A 9 6.000 -0.405 2.283 1.00 71.03 H new ATOM 152 N SER A 10 1.339 -3.233 4.910 1.00 72.13 N ATOM 153 CA SER A 10 0.573 -3.461 6.127 1.00 41.22 C ATOM 154 C SER A 10 0.937 -4.836 6.692 1.00 42.45 C ATOM 155 O SER A 10 0.551 -5.885 6.141 1.00 51.41 O ATOM 156 CB SER A 10 -0.925 -3.346 5.844 1.00 40.31 C ATOM 157 OG SER A 10 -1.671 -3.479 7.041 1.00 21.10 O ATOM 0 H SER A 10 0.915 -3.629 4.071 1.00 72.13 H new ATOM 0 HA SER A 10 0.819 -2.702 6.869 1.00 41.22 H new ATOM 0 HB2 SER A 10 -1.140 -2.383 5.380 1.00 40.31 H new ATOM 0 HB3 SER A 10 -1.226 -4.116 5.134 1.00 40.31 H new ATOM 0 HG SER A 10 -1.889 -2.590 7.391 1.00 21.10 H new ATOM 163 N SER A 11 1.728 -4.812 7.771 1.00 3.32 N ATOM 164 CA SER A 11 2.191 -6.015 8.460 1.00 73.03 C ATOM 165 C SER A 11 1.204 -6.384 9.581 1.00 24.14 C ATOM 166 O SER A 11 1.481 -6.167 10.768 1.00 75.13 O ATOM 167 CB SER A 11 3.630 -5.784 8.988 1.00 54.12 C ATOM 168 OG SER A 11 4.484 -5.362 7.936 1.00 5.14 O ATOM 0 H SER A 11 2.066 -3.947 8.192 1.00 3.32 H new ATOM 0 HA SER A 11 2.226 -6.859 7.771 1.00 73.03 H new ATOM 0 HB2 SER A 11 3.618 -5.033 9.778 1.00 54.12 H new ATOM 0 HB3 SER A 11 4.014 -6.704 9.429 1.00 54.12 H new ATOM 0 HG SER A 11 5.388 -5.219 8.286 1.00 5.14 H new ATOM 174 N ASP A 12 0.024 -6.898 9.162 1.00 34.34 N ATOM 175 CA ASP A 12 -1.047 -7.362 10.076 1.00 13.44 C ATOM 176 C ASP A 12 -1.544 -6.205 11.008 1.00 43.11 C ATOM 177 O ASP A 12 -1.908 -6.426 12.168 1.00 34.52 O ATOM 178 CB ASP A 12 -0.522 -8.614 10.869 1.00 12.13 C ATOM 179 CG ASP A 12 -1.583 -9.324 11.731 1.00 1.51 C ATOM 180 OD1 ASP A 12 -2.497 -9.947 11.160 1.00 44.14 O ATOM 181 OD2 ASP A 12 -1.498 -9.285 12.985 1.00 51.53 O ATOM 0 H ASP A 12 -0.213 -7.003 8.176 1.00 34.34 H new ATOM 0 HA ASP A 12 -1.924 -7.665 9.503 1.00 13.44 H new ATOM 0 HB2 ASP A 12 -0.113 -9.331 10.158 1.00 12.13 H new ATOM 0 HB3 ASP A 12 0.299 -8.300 11.514 1.00 12.13 H new ATOM 186 N ASP A 13 -1.591 -4.954 10.478 1.00 74.12 N ATOM 187 CA ASP A 13 -1.987 -3.760 11.275 1.00 61.21 C ATOM 188 C ASP A 13 -3.114 -2.974 10.576 1.00 73.10 C ATOM 189 O ASP A 13 -3.145 -2.882 9.348 1.00 32.11 O ATOM 190 CB ASP A 13 -0.763 -2.848 11.541 1.00 34.42 C ATOM 191 CG ASP A 13 -1.038 -1.806 12.649 1.00 52.13 C ATOM 192 OD1 ASP A 13 -0.801 -2.109 13.837 1.00 53.24 O ATOM 193 OD2 ASP A 13 -1.525 -0.698 12.348 1.00 72.52 O ATOM 0 H ASP A 13 -1.361 -4.746 9.506 1.00 74.12 H new ATOM 0 HA ASP A 13 -2.369 -4.109 12.235 1.00 61.21 H new ATOM 0 HB2 ASP A 13 0.090 -3.463 11.827 1.00 34.42 H new ATOM 0 HB3 ASP A 13 -0.490 -2.333 10.620 1.00 34.42 H new ATOM 198 N THR A 14 -4.027 -2.403 11.391 1.00 23.31 N ATOM 199 CA THR A 14 -5.260 -1.740 10.918 1.00 75.10 C ATOM 200 C THR A 14 -5.046 -0.243 10.606 1.00 62.02 C ATOM 201 O THR A 14 -5.680 0.288 9.684 1.00 74.12 O ATOM 202 CB THR A 14 -6.404 -1.916 11.980 1.00 63.01 C ATOM 203 OG1 THR A 14 -6.574 -3.317 12.278 1.00 74.42 O ATOM 204 CG2 THR A 14 -7.754 -1.333 11.509 1.00 70.23 C ATOM 0 H THR A 14 -3.927 -2.390 12.406 1.00 23.31 H new ATOM 0 HA THR A 14 -5.548 -2.221 9.983 1.00 75.10 H new ATOM 0 HB THR A 14 -6.101 -1.363 12.869 1.00 63.01 H new ATOM 0 HG1 THR A 14 -7.287 -3.426 12.942 1.00 74.42 H new ATOM 0 HG21 THR A 14 -8.506 -1.484 12.284 1.00 70.23 H new ATOM 0 HG22 THR A 14 -7.642 -0.266 11.315 1.00 70.23 H new ATOM 0 HG23 THR A 14 -8.069 -1.837 10.595 1.00 70.23 H new ATOM 212 N THR A 15 -4.169 0.437 11.382 1.00 73.41 N ATOM 213 CA THR A 15 -3.914 1.890 11.244 1.00 75.23 C ATOM 214 C THR A 15 -3.552 2.287 9.794 1.00 34.51 C ATOM 215 O THR A 15 -4.097 3.244 9.267 1.00 31.21 O ATOM 216 CB THR A 15 -2.771 2.356 12.203 1.00 24.11 C ATOM 217 OG1 THR A 15 -2.995 1.822 13.521 1.00 11.21 O ATOM 218 CG2 THR A 15 -2.673 3.892 12.287 1.00 30.13 C ATOM 0 H THR A 15 -3.620 -0.005 12.119 1.00 73.41 H new ATOM 0 HA THR A 15 -4.844 2.389 11.515 1.00 75.23 H new ATOM 0 HB THR A 15 -1.831 1.982 11.796 1.00 24.11 H new ATOM 0 HG1 THR A 15 -2.615 0.920 13.577 1.00 11.21 H new ATOM 0 HG21 THR A 15 -1.865 4.169 12.965 1.00 30.13 H new ATOM 0 HG22 THR A 15 -2.470 4.298 11.296 1.00 30.13 H new ATOM 0 HG23 THR A 15 -3.614 4.297 12.660 1.00 30.13 H new ATOM 226 N LEU A 16 -2.685 1.481 9.151 1.00 24.04 N ATOM 227 CA LEU A 16 -2.174 1.762 7.785 1.00 75.30 C ATOM 228 C LEU A 16 -3.306 1.716 6.740 1.00 20.40 C ATOM 229 O LEU A 16 -3.264 2.429 5.738 1.00 72.33 O ATOM 230 CB LEU A 16 -1.028 0.783 7.387 1.00 44.20 C ATOM 231 CG LEU A 16 0.296 0.882 8.230 1.00 31.23 C ATOM 232 CD1 LEU A 16 0.142 0.220 9.612 1.00 72.21 C ATOM 233 CD2 LEU A 16 1.505 0.303 7.466 1.00 31.12 C ATOM 0 H LEU A 16 -2.318 0.620 9.557 1.00 24.04 H new ATOM 0 HA LEU A 16 -1.765 2.772 7.801 1.00 75.30 H new ATOM 0 HB2 LEU A 16 -1.407 -0.236 7.463 1.00 44.20 H new ATOM 0 HB3 LEU A 16 -0.780 0.954 6.339 1.00 44.20 H new ATOM 0 HG LEU A 16 0.489 1.942 8.393 1.00 31.23 H new ATOM 0 HD11 LEU A 16 1.077 0.309 10.164 1.00 72.21 H new ATOM 0 HD12 LEU A 16 -0.655 0.716 10.166 1.00 72.21 H new ATOM 0 HD13 LEU A 16 -0.106 -0.834 9.485 1.00 72.21 H new ATOM 0 HD21 LEU A 16 2.400 0.390 8.082 1.00 31.12 H new ATOM 0 HD22 LEU A 16 1.322 -0.747 7.238 1.00 31.12 H new ATOM 0 HD23 LEU A 16 1.648 0.856 6.538 1.00 31.12 H new ATOM 245 N GLU A 17 -4.327 0.898 7.034 1.00 45.14 N ATOM 246 CA GLU A 17 -5.507 0.705 6.173 1.00 20.14 C ATOM 247 C GLU A 17 -6.451 1.906 6.324 1.00 44.41 C ATOM 248 O GLU A 17 -7.041 2.385 5.342 1.00 64.10 O ATOM 249 CB GLU A 17 -6.231 -0.609 6.581 1.00 31.20 C ATOM 250 CG GLU A 17 -5.296 -1.784 6.957 1.00 14.42 C ATOM 251 CD GLU A 17 -4.494 -2.389 5.793 1.00 23.04 C ATOM 252 OE1 GLU A 17 -3.701 -1.673 5.145 1.00 42.34 O ATOM 253 OE2 GLU A 17 -4.614 -3.605 5.569 1.00 34.13 O ATOM 0 H GLU A 17 -4.358 0.343 7.889 1.00 45.14 H new ATOM 0 HA GLU A 17 -5.198 0.630 5.130 1.00 20.14 H new ATOM 0 HB2 GLU A 17 -6.883 -0.398 7.429 1.00 31.20 H new ATOM 0 HB3 GLU A 17 -6.871 -0.924 5.757 1.00 31.20 H new ATOM 0 HG2 GLU A 17 -4.596 -1.439 7.718 1.00 14.42 H new ATOM 0 HG3 GLU A 17 -5.896 -2.573 7.411 1.00 14.42 H new ATOM 260 N GLU A 18 -6.570 2.385 7.584 1.00 51.20 N ATOM 261 CA GLU A 18 -7.367 3.568 7.937 1.00 31.12 C ATOM 262 C GLU A 18 -6.809 4.806 7.217 1.00 60.14 C ATOM 263 O GLU A 18 -7.557 5.557 6.589 1.00 21.11 O ATOM 264 CB GLU A 18 -7.341 3.787 9.477 1.00 25.02 C ATOM 265 CG GLU A 18 -8.096 2.726 10.304 1.00 14.41 C ATOM 266 CD GLU A 18 -9.620 2.766 10.088 1.00 74.33 C ATOM 267 OE1 GLU A 18 -10.272 3.720 10.566 1.00 71.11 O ATOM 268 OE2 GLU A 18 -10.175 1.859 9.435 1.00 63.44 O ATOM 0 H GLU A 18 -6.110 1.953 8.385 1.00 51.20 H new ATOM 0 HA GLU A 18 -8.399 3.410 7.622 1.00 31.12 H new ATOM 0 HB2 GLU A 18 -6.302 3.810 9.807 1.00 25.02 H new ATOM 0 HB3 GLU A 18 -7.767 4.766 9.696 1.00 25.02 H new ATOM 0 HG2 GLU A 18 -7.723 1.736 10.041 1.00 14.41 H new ATOM 0 HG3 GLU A 18 -7.881 2.877 11.362 1.00 14.41 H new ATOM 275 N LEU A 19 -5.471 4.949 7.288 1.00 42.42 N ATOM 276 CA LEU A 19 -4.718 6.064 6.691 1.00 51.31 C ATOM 277 C LEU A 19 -4.848 6.047 5.156 1.00 42.20 C ATOM 278 O LEU A 19 -5.119 7.082 4.550 1.00 53.11 O ATOM 279 CB LEU A 19 -3.220 5.968 7.111 1.00 42.32 C ATOM 280 CG LEU A 19 -2.936 6.035 8.651 1.00 34.45 C ATOM 281 CD1 LEU A 19 -1.479 5.657 8.977 1.00 41.14 C ATOM 282 CD2 LEU A 19 -3.298 7.410 9.240 1.00 70.13 C ATOM 0 H LEU A 19 -4.874 4.278 7.772 1.00 42.42 H new ATOM 0 HA LEU A 19 -5.132 7.004 7.055 1.00 51.31 H new ATOM 0 HB2 LEU A 19 -2.814 5.032 6.727 1.00 42.32 H new ATOM 0 HB3 LEU A 19 -2.674 6.776 6.625 1.00 42.32 H new ATOM 0 HG LEU A 19 -3.582 5.296 9.125 1.00 34.45 H new ATOM 0 HD11 LEU A 19 -1.320 5.715 10.054 1.00 41.14 H new ATOM 0 HD12 LEU A 19 -1.282 4.641 8.635 1.00 41.14 H new ATOM 0 HD13 LEU A 19 -0.803 6.347 8.473 1.00 41.14 H new ATOM 0 HD21 LEU A 19 -3.086 7.415 10.309 1.00 70.13 H new ATOM 0 HD22 LEU A 19 -2.707 8.183 8.749 1.00 70.13 H new ATOM 0 HD23 LEU A 19 -4.358 7.607 9.079 1.00 70.13 H new ATOM 294 N ALA A 20 -4.710 4.834 4.566 1.00 13.22 N ATOM 295 CA ALA A 20 -4.702 4.608 3.099 1.00 1.12 C ATOM 296 C ALA A 20 -5.921 5.232 2.390 1.00 5.53 C ATOM 297 O ALA A 20 -5.795 5.762 1.279 1.00 72.31 O ATOM 298 CB ALA A 20 -4.639 3.099 2.813 1.00 51.35 C ATOM 0 H ALA A 20 -4.600 3.974 5.103 1.00 13.22 H new ATOM 0 HA ALA A 20 -3.819 5.105 2.698 1.00 1.12 H new ATOM 0 HB1 ALA A 20 -4.633 2.933 1.736 1.00 51.35 H new ATOM 0 HB2 ALA A 20 -3.731 2.684 3.249 1.00 51.35 H new ATOM 0 HB3 ALA A 20 -5.509 2.609 3.251 1.00 51.35 H new ATOM 304 N ARG A 21 -7.084 5.175 3.075 1.00 52.42 N ATOM 305 CA ARG A 21 -8.374 5.693 2.569 1.00 10.24 C ATOM 306 C ARG A 21 -8.328 7.226 2.332 1.00 31.24 C ATOM 307 O ARG A 21 -8.972 7.741 1.414 1.00 51.13 O ATOM 308 CB ARG A 21 -9.501 5.312 3.578 1.00 43.25 C ATOM 309 CG ARG A 21 -10.943 5.561 3.070 1.00 62.22 C ATOM 310 CD ARG A 21 -11.309 4.699 1.841 1.00 71.53 C ATOM 311 NE ARG A 21 -12.617 5.077 1.272 1.00 72.32 N ATOM 312 CZ ARG A 21 -13.748 4.368 1.370 1.00 50.34 C ATOM 313 NH1 ARG A 21 -13.776 3.205 2.012 1.00 54.43 N ATOM 314 NH2 ARG A 21 -14.854 4.825 0.802 1.00 63.13 N ATOM 0 H ARG A 21 -7.154 4.763 4.006 1.00 52.42 H new ATOM 0 HA ARG A 21 -8.581 5.237 1.601 1.00 10.24 H new ATOM 0 HB2 ARG A 21 -9.398 4.257 3.833 1.00 43.25 H new ATOM 0 HB3 ARG A 21 -9.352 5.879 4.497 1.00 43.25 H new ATOM 0 HG2 ARG A 21 -11.647 5.352 3.876 1.00 62.22 H new ATOM 0 HG3 ARG A 21 -11.055 6.615 2.814 1.00 62.22 H new ATOM 0 HD2 ARG A 21 -10.537 4.807 1.079 1.00 71.53 H new ATOM 0 HD3 ARG A 21 -11.328 3.648 2.128 1.00 71.53 H new ATOM 0 HE ARG A 21 -12.663 5.957 0.758 1.00 72.32 H new ATOM 0 HH11 ARG A 21 -12.926 2.838 2.441 1.00 54.43 H new ATOM 0 HH12 ARG A 21 -14.647 2.679 2.076 1.00 54.43 H new ATOM 0 HH21 ARG A 21 -14.839 5.710 0.295 1.00 63.13 H new ATOM 0 HH22 ARG A 21 -15.721 4.292 0.871 1.00 63.13 H new ATOM 328 N LYS A 22 -7.527 7.929 3.150 1.00 5.21 N ATOM 329 CA LYS A 22 -7.367 9.396 3.074 1.00 33.30 C ATOM 330 C LYS A 22 -6.475 9.779 1.873 1.00 10.13 C ATOM 331 O LYS A 22 -6.757 10.762 1.176 1.00 41.21 O ATOM 332 CB LYS A 22 -6.768 9.967 4.403 1.00 61.41 C ATOM 333 CG LYS A 22 -7.731 9.999 5.625 1.00 52.24 C ATOM 334 CD LYS A 22 -8.152 8.595 6.119 1.00 42.43 C ATOM 335 CE LYS A 22 -9.253 8.634 7.185 1.00 54.33 C ATOM 336 NZ LYS A 22 -10.498 9.262 6.669 1.00 61.51 N ATOM 0 H LYS A 22 -6.969 7.497 3.886 1.00 5.21 H new ATOM 0 HA LYS A 22 -8.354 9.836 2.932 1.00 33.30 H new ATOM 0 HB2 LYS A 22 -5.894 9.373 4.669 1.00 61.41 H new ATOM 0 HB3 LYS A 22 -6.418 10.982 4.214 1.00 61.41 H new ATOM 0 HG2 LYS A 22 -7.248 10.533 6.443 1.00 52.24 H new ATOM 0 HG3 LYS A 22 -8.624 10.564 5.358 1.00 52.24 H new ATOM 0 HD2 LYS A 22 -8.499 8.007 5.269 1.00 42.43 H new ATOM 0 HD3 LYS A 22 -7.280 8.083 6.526 1.00 42.43 H new ATOM 0 HE2 LYS A 22 -9.470 7.620 7.521 1.00 54.33 H new ATOM 0 HE3 LYS A 22 -8.899 9.189 8.054 1.00 54.33 H new ATOM 0 HZ1 LYS A 22 -11.287 9.048 7.312 1.00 61.51 H new ATOM 0 HZ2 LYS A 22 -10.369 10.292 6.611 1.00 61.51 H new ATOM 0 HZ3 LYS A 22 -10.710 8.886 5.723 1.00 61.51 H new ATOM 350 N ILE A 23 -5.411 8.983 1.632 1.00 4.13 N ATOM 351 CA ILE A 23 -4.442 9.245 0.548 1.00 5.23 C ATOM 352 C ILE A 23 -5.100 9.042 -0.843 1.00 62.34 C ATOM 353 O ILE A 23 -4.960 9.887 -1.734 1.00 21.02 O ATOM 354 CB ILE A 23 -3.137 8.352 0.684 1.00 33.34 C ATOM 355 CG1 ILE A 23 -2.218 8.799 1.884 1.00 43.40 C ATOM 356 CG2 ILE A 23 -2.315 8.348 -0.624 1.00 72.22 C ATOM 357 CD1 ILE A 23 -2.671 8.382 3.267 1.00 15.34 C ATOM 0 H ILE A 23 -5.201 8.148 2.179 1.00 4.13 H new ATOM 0 HA ILE A 23 -4.134 10.287 0.640 1.00 5.23 H new ATOM 0 HB ILE A 23 -3.488 7.341 0.889 1.00 33.34 H new ATOM 0 HG12 ILE A 23 -1.218 8.399 1.716 1.00 43.40 H new ATOM 0 HG13 ILE A 23 -2.134 9.886 1.865 1.00 43.40 H new ATOM 0 HG21 ILE A 23 -1.429 7.727 -0.495 1.00 72.22 H new ATOM 0 HG22 ILE A 23 -2.924 7.948 -1.435 1.00 72.22 H new ATOM 0 HG23 ILE A 23 -2.012 9.367 -0.866 1.00 72.22 H new ATOM 0 HD11 ILE A 23 -1.960 8.747 4.008 1.00 15.34 H new ATOM 0 HD12 ILE A 23 -3.655 8.804 3.470 1.00 15.34 H new ATOM 0 HD13 ILE A 23 -2.725 7.295 3.320 1.00 15.34 H new ATOM 369 N LYS A 24 -5.834 7.917 -1.011 1.00 31.04 N ATOM 370 CA LYS A 24 -6.478 7.573 -2.301 1.00 45.22 C ATOM 371 C LYS A 24 -7.627 8.531 -2.653 1.00 72.12 C ATOM 372 O LYS A 24 -7.999 8.646 -3.824 1.00 72.35 O ATOM 373 CB LYS A 24 -6.940 6.081 -2.330 1.00 53.15 C ATOM 374 CG LYS A 24 -7.916 5.602 -1.215 1.00 71.24 C ATOM 375 CD LYS A 24 -9.395 6.033 -1.384 1.00 71.11 C ATOM 376 CE LYS A 24 -10.010 5.608 -2.726 1.00 74.13 C ATOM 377 NZ LYS A 24 -10.043 4.135 -2.904 1.00 72.22 N ATOM 0 H LYS A 24 -5.995 7.233 -0.271 1.00 31.04 H new ATOM 0 HA LYS A 24 -5.721 7.697 -3.075 1.00 45.22 H new ATOM 0 HB2 LYS A 24 -7.415 5.896 -3.293 1.00 53.15 H new ATOM 0 HB3 LYS A 24 -6.050 5.454 -2.288 1.00 53.15 H new ATOM 0 HG2 LYS A 24 -7.877 4.514 -1.167 1.00 71.24 H new ATOM 0 HG3 LYS A 24 -7.555 5.976 -0.257 1.00 71.24 H new ATOM 0 HD2 LYS A 24 -9.984 5.606 -0.572 1.00 71.11 H new ATOM 0 HD3 LYS A 24 -9.462 7.117 -1.290 1.00 71.11 H new ATOM 0 HE2 LYS A 24 -11.025 6.000 -2.796 1.00 74.13 H new ATOM 0 HE3 LYS A 24 -9.439 6.055 -3.540 1.00 74.13 H new ATOM 0 HZ1 LYS A 24 -10.558 3.902 -3.777 1.00 72.22 H new ATOM 0 HZ2 LYS A 24 -9.071 3.771 -2.968 1.00 72.22 H new ATOM 0 HZ3 LYS A 24 -10.524 3.698 -2.092 1.00 72.22 H new ATOM 391 N ASP A 25 -8.177 9.201 -1.618 1.00 33.10 N ATOM 392 CA ASP A 25 -9.317 10.131 -1.764 1.00 21.23 C ATOM 393 C ASP A 25 -8.922 11.405 -2.552 1.00 45.14 C ATOM 394 O ASP A 25 -9.786 12.149 -3.020 1.00 23.24 O ATOM 395 CB ASP A 25 -9.897 10.491 -0.373 1.00 41.44 C ATOM 396 CG ASP A 25 -11.242 11.240 -0.473 1.00 12.32 C ATOM 397 OD1 ASP A 25 -12.291 10.576 -0.667 1.00 15.44 O ATOM 398 OD2 ASP A 25 -11.263 12.488 -0.368 1.00 33.23 O ATOM 0 H ASP A 25 -7.843 9.112 -0.658 1.00 33.10 H new ATOM 0 HA ASP A 25 -10.090 9.626 -2.343 1.00 21.23 H new ATOM 0 HB2 ASP A 25 -10.034 9.579 0.208 1.00 41.44 H new ATOM 0 HB3 ASP A 25 -9.180 11.108 0.168 1.00 41.44 H new ATOM 403 N GLU A 26 -7.605 11.612 -2.737 1.00 51.34 N ATOM 404 CA GLU A 26 -7.058 12.681 -3.596 1.00 20.20 C ATOM 405 C GLU A 26 -7.231 12.345 -5.097 1.00 73.25 C ATOM 406 O GLU A 26 -6.887 13.157 -5.962 1.00 40.44 O ATOM 407 CB GLU A 26 -5.553 12.862 -3.294 1.00 0.11 C ATOM 408 CG GLU A 26 -5.202 13.195 -1.835 1.00 31.04 C ATOM 409 CD GLU A 26 -5.802 14.515 -1.329 1.00 4.20 C ATOM 410 OE1 GLU A 26 -5.372 15.590 -1.807 1.00 12.15 O ATOM 411 OE2 GLU A 26 -6.688 14.488 -0.447 1.00 62.41 O ATOM 0 H GLU A 26 -6.886 11.040 -2.293 1.00 51.34 H new ATOM 0 HA GLU A 26 -7.605 13.599 -3.382 1.00 20.20 H new ATOM 0 HB2 GLU A 26 -5.032 11.946 -3.574 1.00 0.11 H new ATOM 0 HB3 GLU A 26 -5.166 13.656 -3.932 1.00 0.11 H new ATOM 0 HG2 GLU A 26 -5.548 12.383 -1.195 1.00 31.04 H new ATOM 0 HG3 GLU A 26 -4.118 13.240 -1.735 1.00 31.04 H new ATOM 418 N GLY A 27 -7.751 11.145 -5.390 1.00 71.34 N ATOM 419 CA GLY A 27 -7.774 10.615 -6.744 1.00 64.05 C ATOM 420 C GLY A 27 -6.441 9.976 -7.090 1.00 21.32 C ATOM 421 O GLY A 27 -5.947 10.124 -8.207 1.00 4.40 O ATOM 0 H GLY A 27 -8.163 10.524 -4.694 1.00 71.34 H new ATOM 0 HA2 GLY A 27 -8.572 9.879 -6.839 1.00 64.05 H new ATOM 0 HA3 GLY A 27 -7.994 11.416 -7.450 1.00 64.05 H new ATOM 425 N LEU A 28 -5.832 9.301 -6.088 1.00 63.04 N ATOM 426 CA LEU A 28 -4.566 8.561 -6.258 1.00 51.33 C ATOM 427 C LEU A 28 -4.852 7.057 -6.235 1.00 72.44 C ATOM 428 O LEU A 28 -5.737 6.597 -5.504 1.00 52.33 O ATOM 429 CB LEU A 28 -3.536 8.888 -5.132 1.00 72.43 C ATOM 430 CG LEU A 28 -3.183 10.389 -4.867 1.00 55.44 C ATOM 431 CD1 LEU A 28 -1.932 10.503 -3.974 1.00 43.02 C ATOM 432 CD2 LEU A 28 -3.013 11.203 -6.164 1.00 33.13 C ATOM 0 H LEU A 28 -6.207 9.256 -5.140 1.00 63.04 H new ATOM 0 HA LEU A 28 -4.135 8.865 -7.212 1.00 51.33 H new ATOM 0 HB2 LEU A 28 -3.915 8.466 -4.201 1.00 72.43 H new ATOM 0 HB3 LEU A 28 -2.609 8.364 -5.366 1.00 72.43 H new ATOM 0 HG LEU A 28 -4.032 10.824 -4.340 1.00 55.44 H new ATOM 0 HD11 LEU A 28 -1.703 11.555 -3.801 1.00 43.02 H new ATOM 0 HD12 LEU A 28 -2.120 10.011 -3.020 1.00 43.02 H new ATOM 0 HD13 LEU A 28 -1.087 10.024 -4.469 1.00 43.02 H new ATOM 0 HD21 LEU A 28 -2.769 12.236 -5.916 1.00 33.13 H new ATOM 0 HD22 LEU A 28 -2.208 10.773 -6.760 1.00 33.13 H new ATOM 0 HD23 LEU A 28 -3.941 11.176 -6.735 1.00 33.13 H new ATOM 444 N GLU A 29 -4.103 6.301 -7.042 1.00 72.23 N ATOM 445 CA GLU A 29 -4.127 4.840 -7.037 1.00 51.24 C ATOM 446 C GLU A 29 -3.152 4.329 -5.960 1.00 32.35 C ATOM 447 O GLU A 29 -1.937 4.466 -6.102 1.00 43.32 O ATOM 448 CB GLU A 29 -3.741 4.345 -8.455 1.00 52.51 C ATOM 449 CG GLU A 29 -3.556 2.821 -8.608 1.00 14.31 C ATOM 450 CD GLU A 29 -3.377 2.386 -10.071 1.00 44.13 C ATOM 451 OE1 GLU A 29 -2.334 2.725 -10.678 1.00 64.42 O ATOM 452 OE2 GLU A 29 -4.286 1.727 -10.631 1.00 14.41 O ATOM 0 H GLU A 29 -3.455 6.694 -7.725 1.00 72.23 H new ATOM 0 HA GLU A 29 -5.118 4.455 -6.796 1.00 51.24 H new ATOM 0 HB2 GLU A 29 -4.511 4.670 -9.155 1.00 52.51 H new ATOM 0 HB3 GLU A 29 -2.814 4.836 -8.750 1.00 52.51 H new ATOM 0 HG2 GLU A 29 -2.687 2.506 -8.031 1.00 14.31 H new ATOM 0 HG3 GLU A 29 -4.421 2.310 -8.185 1.00 14.31 H new ATOM 459 N VAL A 30 -3.701 3.792 -4.863 1.00 15.32 N ATOM 460 CA VAL A 30 -2.916 3.287 -3.728 1.00 34.02 C ATOM 461 C VAL A 30 -2.848 1.756 -3.786 1.00 53.24 C ATOM 462 O VAL A 30 -3.870 1.074 -3.940 1.00 1.21 O ATOM 463 CB VAL A 30 -3.505 3.786 -2.348 1.00 45.41 C ATOM 464 CG1 VAL A 30 -2.818 3.106 -1.133 1.00 15.41 C ATOM 465 CG2 VAL A 30 -3.367 5.320 -2.253 1.00 65.40 C ATOM 0 H VAL A 30 -4.708 3.695 -4.737 1.00 15.32 H new ATOM 0 HA VAL A 30 -1.904 3.685 -3.801 1.00 34.02 H new ATOM 0 HB VAL A 30 -4.558 3.506 -2.315 1.00 45.41 H new ATOM 0 HG11 VAL A 30 -3.257 3.482 -0.209 1.00 15.41 H new ATOM 0 HG12 VAL A 30 -2.962 2.027 -1.190 1.00 15.41 H new ATOM 0 HG13 VAL A 30 -1.752 3.331 -1.145 1.00 15.41 H new ATOM 0 HG21 VAL A 30 -3.773 5.664 -1.302 1.00 65.40 H new ATOM 0 HG22 VAL A 30 -2.314 5.595 -2.319 1.00 65.40 H new ATOM 0 HG23 VAL A 30 -3.916 5.786 -3.071 1.00 65.40 H new ATOM 475 N TYR A 31 -1.628 1.245 -3.648 1.00 74.22 N ATOM 476 CA TYR A 31 -1.318 -0.176 -3.645 1.00 2.43 C ATOM 477 C TYR A 31 -1.066 -0.594 -2.199 1.00 50.30 C ATOM 478 O TYR A 31 -0.361 0.107 -1.477 1.00 1.11 O ATOM 479 CB TYR A 31 -0.049 -0.439 -4.494 1.00 53.11 C ATOM 480 CG TYR A 31 -0.226 -0.202 -6.005 1.00 62.34 C ATOM 481 CD1 TYR A 31 -0.766 -1.202 -6.819 1.00 73.02 C ATOM 482 CD2 TYR A 31 0.172 0.991 -6.627 1.00 55.20 C ATOM 483 CE1 TYR A 31 -0.913 -1.022 -8.176 1.00 31.33 C ATOM 484 CE2 TYR A 31 0.016 1.169 -7.994 1.00 34.24 C ATOM 485 CZ TYR A 31 -0.516 0.154 -8.759 1.00 42.33 C ATOM 486 OH TYR A 31 -0.667 0.315 -10.118 1.00 44.25 O ATOM 0 H TYR A 31 -0.802 1.831 -3.531 1.00 74.22 H new ATOM 0 HA TYR A 31 -2.143 -0.747 -4.070 1.00 2.43 H new ATOM 0 HB2 TYR A 31 0.754 0.202 -4.131 1.00 53.11 H new ATOM 0 HB3 TYR A 31 0.270 -1.469 -4.336 1.00 53.11 H new ATOM 0 HD1 TYR A 31 -1.075 -2.136 -6.374 1.00 73.02 H new ATOM 0 HD2 TYR A 31 0.606 1.782 -6.033 1.00 55.20 H new ATOM 0 HE1 TYR A 31 -1.341 -1.807 -8.782 1.00 31.33 H new ATOM 0 HE2 TYR A 31 0.310 2.099 -8.457 1.00 34.24 H new ATOM 0 HH TYR A 31 -1.438 -0.206 -10.425 1.00 44.25 H new ATOM 496 N ILE A 32 -1.655 -1.707 -1.764 1.00 63.41 N ATOM 497 CA ILE A 32 -1.441 -2.235 -0.406 1.00 61.25 C ATOM 498 C ILE A 32 -0.718 -3.581 -0.517 1.00 72.31 C ATOM 499 O ILE A 32 -1.228 -4.504 -1.143 1.00 54.44 O ATOM 500 CB ILE A 32 -2.799 -2.410 0.382 1.00 32.42 C ATOM 501 CG1 ILE A 32 -3.626 -1.082 0.425 1.00 12.31 C ATOM 502 CG2 ILE A 32 -2.555 -2.939 1.818 1.00 73.11 C ATOM 503 CD1 ILE A 32 -2.987 0.066 1.193 1.00 34.32 C ATOM 0 H ILE A 32 -2.289 -2.268 -2.333 1.00 63.41 H new ATOM 0 HA ILE A 32 -0.838 -1.521 0.155 1.00 61.25 H new ATOM 0 HB ILE A 32 -3.384 -3.150 -0.163 1.00 32.42 H new ATOM 0 HG12 ILE A 32 -3.807 -0.754 -0.599 1.00 12.31 H new ATOM 0 HG13 ILE A 32 -4.599 -1.295 0.868 1.00 12.31 H new ATOM 0 HG21 ILE A 32 -3.510 -3.048 2.333 1.00 73.11 H new ATOM 0 HG22 ILE A 32 -2.056 -3.907 1.769 1.00 73.11 H new ATOM 0 HG23 ILE A 32 -1.927 -2.234 2.363 1.00 73.11 H new ATOM 0 HD11 ILE A 32 -3.643 0.936 1.159 1.00 34.32 H new ATOM 0 HD12 ILE A 32 -2.832 -0.232 2.230 1.00 34.32 H new ATOM 0 HD13 ILE A 32 -2.028 0.317 0.740 1.00 34.32 H new ATOM 515 N LEU A 33 0.485 -3.683 0.060 1.00 44.13 N ATOM 516 CA LEU A 33 1.217 -4.946 0.148 1.00 55.32 C ATOM 517 C LEU A 33 0.875 -5.595 1.475 1.00 64.11 C ATOM 518 O LEU A 33 1.410 -5.219 2.528 1.00 10.45 O ATOM 519 CB LEU A 33 2.743 -4.727 -0.006 1.00 23.40 C ATOM 520 CG LEU A 33 3.184 -4.084 -1.356 1.00 25.44 C ATOM 521 CD1 LEU A 33 4.715 -4.174 -1.558 1.00 30.43 C ATOM 522 CD2 LEU A 33 2.407 -4.693 -2.549 1.00 34.15 C ATOM 0 H LEU A 33 0.975 -2.892 0.478 1.00 44.13 H new ATOM 0 HA LEU A 33 0.922 -5.605 -0.669 1.00 55.32 H new ATOM 0 HB2 LEU A 33 3.088 -4.093 0.811 1.00 23.40 H new ATOM 0 HB3 LEU A 33 3.245 -5.688 0.102 1.00 23.40 H new ATOM 0 HG LEU A 33 2.932 -3.024 -1.313 1.00 25.44 H new ATOM 0 HD11 LEU A 33 4.984 -3.715 -2.510 1.00 30.43 H new ATOM 0 HD12 LEU A 33 5.220 -3.650 -0.747 1.00 30.43 H new ATOM 0 HD13 LEU A 33 5.021 -5.220 -1.560 1.00 30.43 H new ATOM 0 HD21 LEU A 33 2.737 -4.224 -3.476 1.00 34.15 H new ATOM 0 HD22 LEU A 33 2.597 -5.765 -2.597 1.00 34.15 H new ATOM 0 HD23 LEU A 33 1.339 -4.519 -2.415 1.00 34.15 H new ATOM 534 N LEU A 34 -0.060 -6.543 1.417 1.00 21.13 N ATOM 535 CA LEU A 34 -0.588 -7.195 2.604 1.00 70.13 C ATOM 536 C LEU A 34 0.280 -8.422 2.886 1.00 31.25 C ATOM 537 O LEU A 34 0.554 -9.219 1.973 1.00 54.45 O ATOM 538 CB LEU A 34 -2.100 -7.574 2.397 1.00 21.23 C ATOM 539 CG LEU A 34 -3.041 -7.339 3.632 1.00 53.12 C ATOM 540 CD1 LEU A 34 -2.724 -8.260 4.835 1.00 11.53 C ATOM 541 CD2 LEU A 34 -2.988 -5.868 4.056 1.00 21.01 C ATOM 0 H LEU A 34 -0.469 -6.877 0.544 1.00 21.13 H new ATOM 0 HA LEU A 34 -0.553 -6.526 3.464 1.00 70.13 H new ATOM 0 HB2 LEU A 34 -2.487 -6.999 1.555 1.00 21.23 H new ATOM 0 HB3 LEU A 34 -2.156 -8.626 2.117 1.00 21.23 H new ATOM 0 HG LEU A 34 -4.050 -7.598 3.310 1.00 53.12 H new ATOM 0 HD11 LEU A 34 -3.413 -8.042 5.651 1.00 11.53 H new ATOM 0 HD12 LEU A 34 -2.835 -9.302 4.535 1.00 11.53 H new ATOM 0 HD13 LEU A 34 -1.701 -8.085 5.167 1.00 11.53 H new ATOM 0 HD21 LEU A 34 -3.643 -5.713 4.913 1.00 21.01 H new ATOM 0 HD22 LEU A 34 -1.966 -5.604 4.328 1.00 21.01 H new ATOM 0 HD23 LEU A 34 -3.317 -5.239 3.229 1.00 21.01 H new ATOM 553 N LYS A 35 0.742 -8.550 4.134 1.00 70.24 N ATOM 554 CA LYS A 35 1.428 -9.752 4.610 1.00 31.22 C ATOM 555 C LYS A 35 0.744 -10.236 5.898 1.00 32.34 C ATOM 556 O LYS A 35 0.534 -9.469 6.851 1.00 65.12 O ATOM 557 CB LYS A 35 2.947 -9.503 4.832 1.00 44.22 C ATOM 558 CG LYS A 35 3.311 -8.363 5.815 1.00 74.11 C ATOM 559 CD LYS A 35 4.775 -8.459 6.320 1.00 41.11 C ATOM 560 CE LYS A 35 5.818 -8.389 5.195 1.00 0.05 C ATOM 561 NZ LYS A 35 7.194 -8.618 5.712 1.00 43.52 N ATOM 0 H LYS A 35 0.650 -7.822 4.842 1.00 70.24 H new ATOM 0 HA LYS A 35 1.355 -10.527 3.847 1.00 31.22 H new ATOM 0 HB2 LYS A 35 3.397 -10.427 5.195 1.00 44.22 H new ATOM 0 HB3 LYS A 35 3.404 -9.284 3.867 1.00 44.22 H new ATOM 0 HG2 LYS A 35 3.162 -7.402 5.323 1.00 74.11 H new ATOM 0 HG3 LYS A 35 2.633 -8.393 6.668 1.00 74.11 H new ATOM 0 HD2 LYS A 35 4.961 -7.651 7.027 1.00 41.11 H new ATOM 0 HD3 LYS A 35 4.902 -9.395 6.865 1.00 41.11 H new ATOM 0 HE2 LYS A 35 5.585 -9.135 4.435 1.00 0.05 H new ATOM 0 HE3 LYS A 35 5.768 -7.414 4.711 1.00 0.05 H new ATOM 0 HZ1 LYS A 35 7.860 -7.994 5.214 1.00 43.52 H new ATOM 0 HZ2 LYS A 35 7.221 -8.411 6.731 1.00 43.52 H new ATOM 0 HZ3 LYS A 35 7.464 -9.610 5.553 1.00 43.52 H new ATOM 575 N ASP A 36 0.324 -11.497 5.870 1.00 44.14 N ATOM 576 CA ASP A 36 -0.238 -12.206 7.020 1.00 41.43 C ATOM 577 C ASP A 36 0.430 -13.588 7.104 1.00 13.21 C ATOM 578 O ASP A 36 1.019 -14.058 6.120 1.00 32.14 O ATOM 579 CB ASP A 36 -1.785 -12.299 6.873 1.00 61.34 C ATOM 580 CG ASP A 36 -2.463 -13.092 7.997 1.00 43.04 C ATOM 581 OD1 ASP A 36 -2.361 -12.678 9.176 1.00 23.31 O ATOM 582 OD2 ASP A 36 -3.084 -14.139 7.723 1.00 12.53 O ATOM 0 H ASP A 36 0.365 -12.070 5.027 1.00 44.14 H new ATOM 0 HA ASP A 36 -0.041 -11.672 7.950 1.00 41.43 H new ATOM 0 HB2 ASP A 36 -2.200 -11.292 6.849 1.00 61.34 H new ATOM 0 HB3 ASP A 36 -2.023 -12.765 5.917 1.00 61.34 H new ATOM 587 N LYS A 37 0.332 -14.221 8.280 1.00 24.33 N ATOM 588 CA LYS A 37 0.988 -15.509 8.576 1.00 62.21 C ATOM 589 C LYS A 37 0.334 -16.665 7.785 1.00 32.35 C ATOM 590 O LYS A 37 0.974 -17.688 7.541 1.00 24.34 O ATOM 591 CB LYS A 37 0.949 -15.823 10.109 1.00 13.23 C ATOM 592 CG LYS A 37 1.664 -14.797 11.046 1.00 63.43 C ATOM 593 CD LYS A 37 0.866 -13.481 11.266 1.00 74.24 C ATOM 594 CE LYS A 37 -0.527 -13.731 11.889 1.00 61.42 C ATOM 595 NZ LYS A 37 -1.341 -12.489 11.986 1.00 41.23 N ATOM 0 H LYS A 37 -0.209 -13.853 9.063 1.00 24.33 H new ATOM 0 HA LYS A 37 2.029 -15.421 8.265 1.00 62.21 H new ATOM 0 HB2 LYS A 37 -0.094 -15.897 10.416 1.00 13.23 H new ATOM 0 HB3 LYS A 37 1.399 -16.803 10.269 1.00 13.23 H new ATOM 0 HG2 LYS A 37 1.844 -15.267 12.013 1.00 63.43 H new ATOM 0 HG3 LYS A 37 2.639 -14.553 10.624 1.00 63.43 H new ATOM 0 HD2 LYS A 37 1.437 -12.818 11.915 1.00 74.24 H new ATOM 0 HD3 LYS A 37 0.747 -12.968 10.312 1.00 74.24 H new ATOM 0 HE2 LYS A 37 -1.063 -14.466 11.289 1.00 61.42 H new ATOM 0 HE3 LYS A 37 -0.405 -14.160 12.884 1.00 61.42 H new ATOM 0 HZ1 LYS A 37 -2.153 -12.655 12.614 1.00 41.23 H new ATOM 0 HZ2 LYS A 37 -0.756 -11.720 12.372 1.00 41.23 H new ATOM 0 HZ3 LYS A 37 -1.683 -12.223 11.040 1.00 41.23 H new ATOM 609 N ASP A 38 -0.943 -16.489 7.397 1.00 13.41 N ATOM 610 CA ASP A 38 -1.732 -17.499 6.661 1.00 30.52 C ATOM 611 C ASP A 38 -2.301 -16.883 5.374 1.00 53.10 C ATOM 612 O ASP A 38 -3.119 -15.974 5.448 1.00 75.32 O ATOM 613 CB ASP A 38 -2.879 -18.025 7.564 1.00 11.42 C ATOM 614 CG ASP A 38 -3.799 -19.040 6.863 1.00 12.21 C ATOM 615 OD1 ASP A 38 -3.296 -20.090 6.399 1.00 71.21 O ATOM 616 OD2 ASP A 38 -5.025 -18.813 6.791 1.00 34.52 O ATOM 0 H ASP A 38 -1.463 -15.632 7.587 1.00 13.41 H new ATOM 0 HA ASP A 38 -1.087 -18.334 6.390 1.00 30.52 H new ATOM 0 HB2 ASP A 38 -2.448 -18.490 8.451 1.00 11.42 H new ATOM 0 HB3 ASP A 38 -3.477 -17.181 7.906 1.00 11.42 H new ATOM 621 N GLU A 39 -1.858 -17.404 4.209 1.00 45.35 N ATOM 622 CA GLU A 39 -2.256 -16.911 2.866 1.00 41.43 C ATOM 623 C GLU A 39 -3.781 -16.915 2.608 1.00 13.13 C ATOM 624 O GLU A 39 -4.246 -16.157 1.748 1.00 33.02 O ATOM 625 CB GLU A 39 -1.539 -17.696 1.735 1.00 24.41 C ATOM 626 CG GLU A 39 -0.019 -17.453 1.619 1.00 74.23 C ATOM 627 CD GLU A 39 0.561 -18.131 0.372 1.00 60.12 C ATOM 628 OE1 GLU A 39 0.161 -17.741 -0.751 1.00 75.21 O ATOM 629 OE2 GLU A 39 1.380 -19.064 0.491 1.00 42.34 O ATOM 0 H GLU A 39 -1.206 -18.188 4.171 1.00 45.35 H new ATOM 0 HA GLU A 39 -1.938 -15.868 2.855 1.00 41.43 H new ATOM 0 HB2 GLU A 39 -1.708 -18.761 1.892 1.00 24.41 H new ATOM 0 HB3 GLU A 39 -2.005 -17.436 0.784 1.00 24.41 H new ATOM 0 HG2 GLU A 39 0.178 -16.382 1.578 1.00 74.23 H new ATOM 0 HG3 GLU A 39 0.481 -17.835 2.509 1.00 74.23 H new ATOM 636 N LYS A 40 -4.543 -17.752 3.345 1.00 32.24 N ATOM 637 CA LYS A 40 -6.011 -17.835 3.204 1.00 22.41 C ATOM 638 C LYS A 40 -6.629 -16.559 3.817 1.00 62.42 C ATOM 639 O LYS A 40 -7.296 -15.793 3.114 1.00 44.32 O ATOM 640 CB LYS A 40 -6.547 -19.141 3.882 1.00 33.04 C ATOM 641 CG LYS A 40 -7.879 -19.727 3.325 1.00 74.52 C ATOM 642 CD LYS A 40 -9.118 -18.804 3.475 1.00 3.04 C ATOM 643 CE LYS A 40 -10.410 -19.449 2.938 1.00 1.32 C ATOM 644 NZ LYS A 40 -11.560 -18.507 2.962 1.00 24.12 N ATOM 0 H LYS A 40 -4.161 -18.384 4.049 1.00 32.24 H new ATOM 0 HA LYS A 40 -6.297 -17.890 2.153 1.00 22.41 H new ATOM 0 HB2 LYS A 40 -5.777 -19.908 3.798 1.00 33.04 H new ATOM 0 HB3 LYS A 40 -6.682 -18.941 4.945 1.00 33.04 H new ATOM 0 HG2 LYS A 40 -7.743 -19.957 2.268 1.00 74.52 H new ATOM 0 HG3 LYS A 40 -8.084 -20.669 3.833 1.00 74.52 H new ATOM 0 HD2 LYS A 40 -9.253 -18.552 4.527 1.00 3.04 H new ATOM 0 HD3 LYS A 40 -8.936 -17.869 2.944 1.00 3.04 H new ATOM 0 HE2 LYS A 40 -10.245 -19.793 1.917 1.00 1.32 H new ATOM 0 HE3 LYS A 40 -10.650 -20.328 3.535 1.00 1.32 H new ATOM 0 HZ1 LYS A 40 -12.430 -19.015 2.705 1.00 24.12 H new ATOM 0 HZ2 LYS A 40 -11.661 -18.107 3.917 1.00 24.12 H new ATOM 0 HZ3 LYS A 40 -11.394 -17.739 2.281 1.00 24.12 H new ATOM 658 N ARG A 41 -6.335 -16.317 5.123 1.00 0.04 N ATOM 659 CA ARG A 41 -6.804 -15.116 5.860 1.00 31.45 C ATOM 660 C ARG A 41 -6.280 -13.825 5.198 1.00 5.22 C ATOM 661 O ARG A 41 -6.979 -12.808 5.136 1.00 70.32 O ATOM 662 CB ARG A 41 -6.334 -15.156 7.334 1.00 11.45 C ATOM 663 CG ARG A 41 -6.883 -16.328 8.175 1.00 2.23 C ATOM 664 CD ARG A 41 -6.413 -16.258 9.639 1.00 42.22 C ATOM 665 NE ARG A 41 -6.764 -14.967 10.258 1.00 33.14 N ATOM 666 CZ ARG A 41 -6.324 -14.512 11.437 1.00 62.44 C ATOM 667 NH1 ARG A 41 -5.496 -15.230 12.201 1.00 62.00 N ATOM 668 NH2 ARG A 41 -6.702 -13.311 11.840 1.00 70.24 N ATOM 0 H ARG A 41 -5.769 -16.947 5.691 1.00 0.04 H new ATOM 0 HA ARG A 41 -7.894 -15.119 5.829 1.00 31.45 H new ATOM 0 HB2 ARG A 41 -5.245 -15.200 7.349 1.00 11.45 H new ATOM 0 HB3 ARG A 41 -6.622 -14.221 7.814 1.00 11.45 H new ATOM 0 HG2 ARG A 41 -7.972 -16.318 8.143 1.00 2.23 H new ATOM 0 HG3 ARG A 41 -6.560 -17.272 7.736 1.00 2.23 H new ATOM 0 HD2 ARG A 41 -6.866 -17.070 10.207 1.00 42.22 H new ATOM 0 HD3 ARG A 41 -5.333 -16.402 9.683 1.00 42.22 H new ATOM 0 HE ARG A 41 -7.402 -14.364 9.739 1.00 33.14 H new ATOM 0 HH11 ARG A 41 -5.184 -16.150 11.890 1.00 62.00 H new ATOM 0 HH12 ARG A 41 -5.176 -14.858 13.095 1.00 62.00 H new ATOM 0 HH21 ARG A 41 -7.319 -12.748 11.255 1.00 70.24 H new ATOM 0 HH22 ARG A 41 -6.377 -12.948 12.736 1.00 70.24 H new ATOM 682 N LEU A 42 -5.033 -13.910 4.727 1.00 3.00 N ATOM 683 CA LEU A 42 -4.349 -12.871 3.948 1.00 50.10 C ATOM 684 C LEU A 42 -5.173 -12.453 2.719 1.00 70.51 C ATOM 685 O LEU A 42 -5.413 -11.266 2.503 1.00 1.00 O ATOM 686 CB LEU A 42 -2.976 -13.449 3.515 1.00 60.23 C ATOM 687 CG LEU A 42 -2.079 -12.598 2.575 1.00 32.30 C ATOM 688 CD1 LEU A 42 -1.849 -11.202 3.135 1.00 33.53 C ATOM 689 CD2 LEU A 42 -0.739 -13.311 2.328 1.00 11.30 C ATOM 0 H LEU A 42 -4.450 -14.733 4.882 1.00 3.00 H new ATOM 0 HA LEU A 42 -4.219 -11.975 4.555 1.00 50.10 H new ATOM 0 HB2 LEU A 42 -2.404 -13.659 4.419 1.00 60.23 H new ATOM 0 HB3 LEU A 42 -3.158 -14.405 3.024 1.00 60.23 H new ATOM 0 HG LEU A 42 -2.600 -12.488 1.624 1.00 32.30 H new ATOM 0 HD11 LEU A 42 -1.217 -10.635 2.451 1.00 33.53 H new ATOM 0 HD12 LEU A 42 -2.806 -10.694 3.250 1.00 33.53 H new ATOM 0 HD13 LEU A 42 -1.358 -11.276 4.105 1.00 33.53 H new ATOM 0 HD21 LEU A 42 -0.120 -12.704 1.668 1.00 11.30 H new ATOM 0 HD22 LEU A 42 -0.223 -13.456 3.277 1.00 11.30 H new ATOM 0 HD23 LEU A 42 -0.923 -14.280 1.864 1.00 11.30 H new ATOM 701 N GLU A 43 -5.639 -13.460 1.957 1.00 74.41 N ATOM 702 CA GLU A 43 -6.347 -13.244 0.687 1.00 15.22 C ATOM 703 C GLU A 43 -7.778 -12.735 0.935 1.00 24.42 C ATOM 704 O GLU A 43 -8.351 -12.050 0.083 1.00 43.42 O ATOM 705 CB GLU A 43 -6.347 -14.536 -0.170 1.00 4.12 C ATOM 706 CG GLU A 43 -6.656 -14.290 -1.661 1.00 33.41 C ATOM 707 CD GLU A 43 -6.783 -15.579 -2.470 1.00 44.32 C ATOM 708 OE1 GLU A 43 -5.756 -16.261 -2.679 1.00 55.14 O ATOM 709 OE2 GLU A 43 -7.908 -15.921 -2.890 1.00 14.44 O ATOM 0 H GLU A 43 -5.534 -14.444 2.206 1.00 74.41 H new ATOM 0 HA GLU A 43 -5.816 -12.474 0.127 1.00 15.22 H new ATOM 0 HB2 GLU A 43 -5.373 -15.018 -0.084 1.00 4.12 H new ATOM 0 HB3 GLU A 43 -7.083 -15.230 0.235 1.00 4.12 H new ATOM 0 HG2 GLU A 43 -7.583 -13.724 -1.744 1.00 33.41 H new ATOM 0 HG3 GLU A 43 -5.867 -13.674 -2.092 1.00 33.41 H new ATOM 716 N GLU A 44 -8.332 -13.050 2.128 1.00 1.45 N ATOM 717 CA GLU A 44 -9.631 -12.514 2.573 1.00 42.42 C ATOM 718 C GLU A 44 -9.496 -11.001 2.825 1.00 61.44 C ATOM 719 O GLU A 44 -10.308 -10.199 2.353 1.00 3.22 O ATOM 720 CB GLU A 44 -10.111 -13.218 3.874 1.00 32.52 C ATOM 721 CG GLU A 44 -10.248 -14.752 3.789 1.00 63.15 C ATOM 722 CD GLU A 44 -11.226 -15.227 2.707 1.00 74.32 C ATOM 723 OE1 GLU A 44 -12.438 -14.953 2.839 1.00 64.32 O ATOM 724 OE2 GLU A 44 -10.799 -15.895 1.737 1.00 44.43 O ATOM 0 H GLU A 44 -7.893 -13.678 2.801 1.00 1.45 H new ATOM 0 HA GLU A 44 -10.369 -12.700 1.793 1.00 42.42 H new ATOM 0 HB2 GLU A 44 -9.412 -12.977 4.675 1.00 32.52 H new ATOM 0 HB3 GLU A 44 -11.077 -12.800 4.157 1.00 32.52 H new ATOM 0 HG2 GLU A 44 -9.267 -15.185 3.594 1.00 63.15 H new ATOM 0 HG3 GLU A 44 -10.578 -15.132 4.756 1.00 63.15 H new ATOM 731 N LYS A 45 -8.410 -10.641 3.547 1.00 12.25 N ATOM 732 CA LYS A 45 -8.071 -9.262 3.896 1.00 32.44 C ATOM 733 C LYS A 45 -7.852 -8.406 2.627 1.00 25.34 C ATOM 734 O LYS A 45 -8.316 -7.258 2.557 1.00 62.32 O ATOM 735 CB LYS A 45 -6.806 -9.252 4.806 1.00 21.20 C ATOM 736 CG LYS A 45 -6.492 -7.865 5.397 1.00 50.45 C ATOM 737 CD LYS A 45 -7.621 -7.356 6.334 1.00 42.15 C ATOM 738 CE LYS A 45 -7.673 -5.833 6.422 1.00 21.22 C ATOM 739 NZ LYS A 45 -6.395 -5.247 6.888 1.00 4.52 N ATOM 0 H LYS A 45 -7.739 -11.321 3.905 1.00 12.25 H new ATOM 0 HA LYS A 45 -8.903 -8.820 4.444 1.00 32.44 H new ATOM 0 HB2 LYS A 45 -6.947 -9.963 5.620 1.00 21.20 H new ATOM 0 HB3 LYS A 45 -5.948 -9.596 4.228 1.00 21.20 H new ATOM 0 HG2 LYS A 45 -5.555 -7.912 5.952 1.00 50.45 H new ATOM 0 HG3 LYS A 45 -6.346 -7.151 4.586 1.00 50.45 H new ATOM 0 HD2 LYS A 45 -8.581 -7.728 5.975 1.00 42.15 H new ATOM 0 HD3 LYS A 45 -7.473 -7.768 7.332 1.00 42.15 H new ATOM 0 HE2 LYS A 45 -7.920 -5.424 5.442 1.00 21.22 H new ATOM 0 HE3 LYS A 45 -8.473 -5.539 7.102 1.00 21.22 H new ATOM 0 HZ1 LYS A 45 -6.575 -4.621 7.698 1.00 4.52 H new ATOM 0 HZ2 LYS A 45 -5.749 -6.009 7.177 1.00 4.52 H new ATOM 0 HZ3 LYS A 45 -5.962 -4.700 6.117 1.00 4.52 H new ATOM 753 N ILE A 46 -7.173 -9.017 1.626 1.00 45.15 N ATOM 754 CA ILE A 46 -6.938 -8.424 0.295 1.00 3.43 C ATOM 755 C ILE A 46 -8.277 -7.961 -0.329 1.00 12.20 C ATOM 756 O ILE A 46 -8.409 -6.805 -0.727 1.00 60.21 O ATOM 757 CB ILE A 46 -6.193 -9.453 -0.665 1.00 2.21 C ATOM 758 CG1 ILE A 46 -4.719 -9.700 -0.186 1.00 31.32 C ATOM 759 CG2 ILE A 46 -6.223 -9.009 -2.154 1.00 71.23 C ATOM 760 CD1 ILE A 46 -3.936 -10.726 -0.995 1.00 74.33 C ATOM 0 H ILE A 46 -6.769 -9.948 1.726 1.00 45.15 H new ATOM 0 HA ILE A 46 -6.292 -7.554 0.416 1.00 3.43 H new ATOM 0 HB ILE A 46 -6.742 -10.393 -0.604 1.00 2.21 H new ATOM 0 HG12 ILE A 46 -4.181 -8.752 -0.214 1.00 31.32 H new ATOM 0 HG13 ILE A 46 -4.742 -10.023 0.855 1.00 31.32 H new ATOM 0 HG21 ILE A 46 -5.701 -9.746 -2.764 1.00 71.23 H new ATOM 0 HG22 ILE A 46 -7.257 -8.928 -2.489 1.00 71.23 H new ATOM 0 HG23 ILE A 46 -5.732 -8.041 -2.255 1.00 71.23 H new ATOM 0 HD11 ILE A 46 -2.931 -10.823 -0.584 1.00 74.33 H new ATOM 0 HD12 ILE A 46 -4.442 -11.690 -0.948 1.00 74.33 H new ATOM 0 HD13 ILE A 46 -3.873 -10.400 -2.033 1.00 74.33 H new ATOM 772 N GLN A 47 -9.281 -8.867 -0.321 1.00 33.24 N ATOM 773 CA GLN A 47 -10.607 -8.609 -0.929 1.00 51.13 C ATOM 774 C GLN A 47 -11.373 -7.488 -0.191 1.00 54.44 C ATOM 775 O GLN A 47 -12.018 -6.645 -0.833 1.00 63.44 O ATOM 776 CB GLN A 47 -11.458 -9.906 -0.970 1.00 52.10 C ATOM 777 CG GLN A 47 -10.831 -11.068 -1.761 1.00 73.45 C ATOM 778 CD GLN A 47 -10.450 -10.699 -3.198 1.00 52.03 C ATOM 779 OE1 GLN A 47 -11.250 -10.820 -4.127 1.00 2.50 O ATOM 780 NE2 GLN A 47 -9.221 -10.239 -3.391 1.00 23.14 N ATOM 0 H GLN A 47 -9.197 -9.791 0.103 1.00 33.24 H new ATOM 0 HA GLN A 47 -10.430 -8.272 -1.950 1.00 51.13 H new ATOM 0 HB2 GLN A 47 -11.638 -10.237 0.053 1.00 52.10 H new ATOM 0 HB3 GLN A 47 -12.430 -9.672 -1.405 1.00 52.10 H new ATOM 0 HG2 GLN A 47 -9.941 -11.415 -1.236 1.00 73.45 H new ATOM 0 HG3 GLN A 47 -11.533 -11.902 -1.783 1.00 73.45 H new ATOM 0 HE21 GLN A 47 -8.580 -10.150 -2.602 1.00 23.14 H new ATOM 0 HE22 GLN A 47 -8.917 -9.975 -4.328 1.00 23.14 H new ATOM 789 N LYS A 48 -11.276 -7.487 1.157 1.00 30.20 N ATOM 790 CA LYS A 48 -11.930 -6.483 2.027 1.00 70.23 C ATOM 791 C LYS A 48 -11.448 -5.056 1.700 1.00 41.21 C ATOM 792 O LYS A 48 -12.240 -4.108 1.636 1.00 50.04 O ATOM 793 CB LYS A 48 -11.649 -6.815 3.524 1.00 44.01 C ATOM 794 CG LYS A 48 -12.266 -8.144 4.056 1.00 53.24 C ATOM 795 CD LYS A 48 -13.753 -8.037 4.512 1.00 14.54 C ATOM 796 CE LYS A 48 -14.778 -7.900 3.369 1.00 74.41 C ATOM 797 NZ LYS A 48 -14.738 -9.043 2.416 1.00 52.15 N ATOM 0 H LYS A 48 -10.741 -8.184 1.674 1.00 30.20 H new ATOM 0 HA LYS A 48 -13.004 -6.523 1.843 1.00 70.23 H new ATOM 0 HB2 LYS A 48 -10.570 -6.854 3.671 1.00 44.01 H new ATOM 0 HB3 LYS A 48 -12.024 -5.993 4.134 1.00 44.01 H new ATOM 0 HG2 LYS A 48 -12.194 -8.900 3.274 1.00 53.24 H new ATOM 0 HG3 LYS A 48 -11.667 -8.496 4.896 1.00 53.24 H new ATOM 0 HD2 LYS A 48 -14.002 -8.921 5.098 1.00 14.54 H new ATOM 0 HD3 LYS A 48 -13.853 -7.177 5.174 1.00 14.54 H new ATOM 0 HE2 LYS A 48 -15.779 -7.822 3.793 1.00 74.41 H new ATOM 0 HE3 LYS A 48 -14.588 -6.974 2.826 1.00 74.41 H new ATOM 0 HZ1 LYS A 48 -15.533 -8.968 1.750 1.00 52.15 H new ATOM 0 HZ2 LYS A 48 -13.842 -9.024 1.889 1.00 52.15 H new ATOM 0 HZ3 LYS A 48 -14.811 -9.937 2.943 1.00 52.15 H new ATOM 811 N LEU A 49 -10.140 -4.930 1.479 1.00 33.34 N ATOM 812 CA LEU A 49 -9.498 -3.658 1.138 1.00 53.11 C ATOM 813 C LEU A 49 -9.810 -3.233 -0.317 1.00 40.02 C ATOM 814 O LEU A 49 -9.954 -2.044 -0.598 1.00 4.41 O ATOM 815 CB LEU A 49 -7.982 -3.801 1.342 1.00 12.01 C ATOM 816 CG LEU A 49 -7.508 -4.102 2.789 1.00 64.12 C ATOM 817 CD1 LEU A 49 -6.024 -4.503 2.787 1.00 64.34 C ATOM 818 CD2 LEU A 49 -7.779 -2.907 3.736 1.00 0.03 C ATOM 0 H LEU A 49 -9.489 -5.714 1.532 1.00 33.34 H new ATOM 0 HA LEU A 49 -9.892 -2.879 1.790 1.00 53.11 H new ATOM 0 HB2 LEU A 49 -7.623 -4.599 0.692 1.00 12.01 H new ATOM 0 HB3 LEU A 49 -7.504 -2.879 1.010 1.00 12.01 H new ATOM 0 HG LEU A 49 -8.086 -4.942 3.173 1.00 64.12 H new ATOM 0 HD11 LEU A 49 -5.702 -4.712 3.807 1.00 64.34 H new ATOM 0 HD12 LEU A 49 -5.889 -5.394 2.174 1.00 64.34 H new ATOM 0 HD13 LEU A 49 -5.427 -3.688 2.378 1.00 64.34 H new ATOM 0 HD21 LEU A 49 -7.434 -3.153 4.740 1.00 0.03 H new ATOM 0 HD22 LEU A 49 -7.245 -2.028 3.375 1.00 0.03 H new ATOM 0 HD23 LEU A 49 -8.848 -2.697 3.761 1.00 0.03 H new ATOM 830 N LYS A 50 -9.907 -4.220 -1.237 1.00 65.43 N ATOM 831 CA LYS A 50 -10.252 -3.965 -2.656 1.00 23.25 C ATOM 832 C LYS A 50 -11.701 -3.460 -2.815 1.00 14.11 C ATOM 833 O LYS A 50 -12.021 -2.819 -3.820 1.00 74.41 O ATOM 834 CB LYS A 50 -10.021 -5.229 -3.523 1.00 3.43 C ATOM 835 CG LYS A 50 -8.536 -5.646 -3.652 1.00 55.45 C ATOM 836 CD LYS A 50 -8.334 -6.881 -4.559 1.00 42.13 C ATOM 837 CE LYS A 50 -8.777 -6.627 -6.008 1.00 42.51 C ATOM 838 NZ LYS A 50 -8.613 -7.827 -6.873 1.00 15.34 N ATOM 0 H LYS A 50 -9.751 -5.205 -1.021 1.00 65.43 H new ATOM 0 HA LYS A 50 -9.586 -3.177 -3.008 1.00 23.25 H new ATOM 0 HB2 LYS A 50 -10.584 -6.058 -3.094 1.00 3.43 H new ATOM 0 HB3 LYS A 50 -10.425 -5.051 -4.520 1.00 3.43 H new ATOM 0 HG2 LYS A 50 -7.963 -4.810 -4.052 1.00 55.45 H new ATOM 0 HG3 LYS A 50 -8.137 -5.860 -2.661 1.00 55.45 H new ATOM 0 HD2 LYS A 50 -7.282 -7.167 -4.549 1.00 42.13 H new ATOM 0 HD3 LYS A 50 -8.896 -7.722 -4.153 1.00 42.13 H new ATOM 0 HE2 LYS A 50 -9.822 -6.317 -6.016 1.00 42.51 H new ATOM 0 HE3 LYS A 50 -8.197 -5.802 -6.423 1.00 42.51 H new ATOM 0 HZ1 LYS A 50 -8.926 -7.604 -7.839 1.00 15.34 H new ATOM 0 HZ2 LYS A 50 -7.612 -8.109 -6.889 1.00 15.34 H new ATOM 0 HZ3 LYS A 50 -9.187 -8.608 -6.496 1.00 15.34 H new ATOM 852 N SER A 51 -12.570 -3.777 -1.828 1.00 13.41 N ATOM 853 CA SER A 51 -13.920 -3.178 -1.717 1.00 64.51 C ATOM 854 C SER A 51 -13.839 -1.641 -1.515 1.00 23.14 C ATOM 855 O SER A 51 -14.737 -0.901 -1.928 1.00 70.22 O ATOM 856 CB SER A 51 -14.704 -3.835 -0.560 1.00 2.34 C ATOM 857 OG SER A 51 -16.046 -3.362 -0.501 1.00 73.32 O ATOM 0 H SER A 51 -12.358 -4.450 -1.091 1.00 13.41 H new ATOM 0 HA SER A 51 -14.450 -3.364 -2.651 1.00 64.51 H new ATOM 0 HB2 SER A 51 -14.704 -4.917 -0.689 1.00 2.34 H new ATOM 0 HB3 SER A 51 -14.202 -3.626 0.385 1.00 2.34 H new ATOM 0 HG SER A 51 -16.514 -3.799 0.241 1.00 73.32 H new ATOM 863 N GLN A 52 -12.738 -1.179 -0.886 1.00 45.54 N ATOM 864 CA GLN A 52 -12.441 0.262 -0.693 1.00 3.00 C ATOM 865 C GLN A 52 -11.520 0.798 -1.816 1.00 23.32 C ATOM 866 O GLN A 52 -10.872 1.841 -1.656 1.00 13.40 O ATOM 867 CB GLN A 52 -11.789 0.484 0.693 1.00 71.25 C ATOM 868 CG GLN A 52 -12.651 0.050 1.885 1.00 51.20 C ATOM 869 CD GLN A 52 -11.976 0.340 3.225 1.00 70.12 C ATOM 870 OE1 GLN A 52 -12.146 1.416 3.802 1.00 23.42 O ATOM 871 NE2 GLN A 52 -11.185 -0.601 3.712 1.00 73.55 N ATOM 0 H GLN A 52 -12.025 -1.795 -0.495 1.00 45.54 H new ATOM 0 HA GLN A 52 -13.379 0.815 -0.739 1.00 3.00 H new ATOM 0 HB2 GLN A 52 -10.846 -0.061 0.727 1.00 71.25 H new ATOM 0 HB3 GLN A 52 -11.550 1.542 0.801 1.00 71.25 H new ATOM 0 HG2 GLN A 52 -13.610 0.567 1.844 1.00 51.20 H new ATOM 0 HG3 GLN A 52 -12.861 -1.017 1.810 1.00 51.20 H new ATOM 0 HE21 GLN A 52 -11.068 -1.480 3.208 1.00 73.55 H new ATOM 0 HE22 GLN A 52 -10.692 -0.448 4.592 1.00 73.55 H new ATOM 880 N GLY A 53 -11.453 0.055 -2.941 1.00 62.15 N ATOM 881 CA GLY A 53 -10.754 0.499 -4.153 1.00 15.30 C ATOM 882 C GLY A 53 -9.240 0.339 -4.112 1.00 43.44 C ATOM 883 O GLY A 53 -8.571 0.663 -5.100 1.00 53.12 O ATOM 0 H GLY A 53 -11.882 -0.866 -3.029 1.00 62.15 H new ATOM 0 HA2 GLY A 53 -11.141 -0.060 -5.004 1.00 15.30 H new ATOM 0 HA3 GLY A 53 -10.990 1.549 -4.327 1.00 15.30 H new ATOM 887 N PHE A 54 -8.689 -0.151 -2.975 1.00 50.45 N ATOM 888 CA PHE A 54 -7.237 -0.370 -2.820 1.00 63.04 C ATOM 889 C PHE A 54 -6.781 -1.499 -3.756 1.00 32.23 C ATOM 890 O PHE A 54 -7.384 -2.577 -3.745 1.00 21.33 O ATOM 891 CB PHE A 54 -6.877 -0.745 -1.350 1.00 33.14 C ATOM 892 CG PHE A 54 -7.299 0.268 -0.275 1.00 31.51 C ATOM 893 CD1 PHE A 54 -7.083 1.631 -0.442 1.00 53.32 C ATOM 894 CD2 PHE A 54 -7.908 -0.153 0.914 1.00 54.02 C ATOM 895 CE1 PHE A 54 -7.466 2.531 0.533 1.00 3.45 C ATOM 896 CE2 PHE A 54 -8.286 0.749 1.886 1.00 72.45 C ATOM 897 CZ PHE A 54 -8.067 2.090 1.696 1.00 11.10 C ATOM 0 H PHE A 54 -9.234 -0.402 -2.150 1.00 50.45 H new ATOM 0 HA PHE A 54 -6.726 0.558 -3.076 1.00 63.04 H new ATOM 0 HB2 PHE A 54 -7.338 -1.705 -1.117 1.00 33.14 H new ATOM 0 HB3 PHE A 54 -5.798 -0.885 -1.285 1.00 33.14 H new ATOM 0 HD1 PHE A 54 -6.610 1.990 -1.344 1.00 53.32 H new ATOM 0 HD2 PHE A 54 -8.085 -1.206 1.073 1.00 54.02 H new ATOM 0 HE1 PHE A 54 -7.294 3.587 0.385 1.00 3.45 H new ATOM 0 HE2 PHE A 54 -8.754 0.401 2.795 1.00 72.45 H new ATOM 0 HZ PHE A 54 -8.364 2.799 2.454 1.00 11.10 H new ATOM 907 N GLU A 55 -5.741 -1.253 -4.574 1.00 40.20 N ATOM 908 CA GLU A 55 -5.150 -2.301 -5.412 1.00 51.34 C ATOM 909 C GLU A 55 -4.146 -3.094 -4.556 1.00 35.34 C ATOM 910 O GLU A 55 -2.978 -2.723 -4.417 1.00 1.20 O ATOM 911 CB GLU A 55 -4.501 -1.721 -6.699 1.00 45.41 C ATOM 912 CG GLU A 55 -3.967 -2.799 -7.678 1.00 4.30 C ATOM 913 CD GLU A 55 -5.037 -3.837 -8.074 1.00 32.11 C ATOM 914 OE1 GLU A 55 -5.820 -3.570 -9.007 1.00 54.22 O ATOM 915 OE2 GLU A 55 -5.113 -4.914 -7.435 1.00 72.52 O ATOM 0 H GLU A 55 -5.297 -0.340 -4.669 1.00 40.20 H new ATOM 0 HA GLU A 55 -5.933 -2.973 -5.763 1.00 51.34 H new ATOM 0 HB2 GLU A 55 -5.236 -1.106 -7.218 1.00 45.41 H new ATOM 0 HB3 GLU A 55 -3.679 -1.064 -6.415 1.00 45.41 H new ATOM 0 HG2 GLU A 55 -3.592 -2.311 -8.578 1.00 4.30 H new ATOM 0 HG3 GLU A 55 -3.123 -3.313 -7.218 1.00 4.30 H new ATOM 922 N VAL A 56 -4.652 -4.159 -3.930 1.00 53.22 N ATOM 923 CA VAL A 56 -3.906 -4.952 -2.948 1.00 74.32 C ATOM 924 C VAL A 56 -3.226 -6.141 -3.635 1.00 40.42 C ATOM 925 O VAL A 56 -3.818 -6.788 -4.510 1.00 72.53 O ATOM 926 CB VAL A 56 -4.847 -5.464 -1.800 1.00 13.11 C ATOM 927 CG1 VAL A 56 -4.040 -6.072 -0.627 1.00 54.40 C ATOM 928 CG2 VAL A 56 -5.763 -4.334 -1.304 1.00 72.45 C ATOM 0 H VAL A 56 -5.600 -4.499 -4.091 1.00 53.22 H new ATOM 0 HA VAL A 56 -3.145 -4.309 -2.505 1.00 74.32 H new ATOM 0 HB VAL A 56 -5.469 -6.257 -2.214 1.00 13.11 H new ATOM 0 HG11 VAL A 56 -4.726 -6.415 0.147 1.00 54.40 H new ATOM 0 HG12 VAL A 56 -3.451 -6.915 -0.989 1.00 54.40 H new ATOM 0 HG13 VAL A 56 -3.374 -5.315 -0.213 1.00 54.40 H new ATOM 0 HG21 VAL A 56 -6.407 -4.710 -0.509 1.00 72.45 H new ATOM 0 HG22 VAL A 56 -5.155 -3.514 -0.922 1.00 72.45 H new ATOM 0 HG23 VAL A 56 -6.378 -3.975 -2.129 1.00 72.45 H new ATOM 938 N ARG A 57 -1.984 -6.421 -3.222 1.00 62.21 N ATOM 939 CA ARG A 57 -1.182 -7.528 -3.745 1.00 43.44 C ATOM 940 C ARG A 57 -0.678 -8.388 -2.572 1.00 70.44 C ATOM 941 O ARG A 57 -0.407 -7.878 -1.466 1.00 54.12 O ATOM 942 CB ARG A 57 0.016 -6.996 -4.618 1.00 52.33 C ATOM 943 CG ARG A 57 -0.022 -7.452 -6.099 1.00 32.42 C ATOM 944 CD ARG A 57 -1.264 -6.939 -6.862 1.00 12.32 C ATOM 945 NE ARG A 57 -1.341 -7.496 -8.225 1.00 14.43 N ATOM 946 CZ ARG A 57 -2.429 -7.476 -9.010 1.00 61.42 C ATOM 947 NH1 ARG A 57 -3.562 -6.915 -8.605 1.00 34.33 N ATOM 948 NH2 ARG A 57 -2.380 -8.044 -10.203 1.00 74.43 N ATOM 0 H ARG A 57 -1.504 -5.876 -2.506 1.00 62.21 H new ATOM 0 HA ARG A 57 -1.803 -8.144 -4.395 1.00 43.44 H new ATOM 0 HB2 ARG A 57 0.018 -5.906 -4.585 1.00 52.33 H new ATOM 0 HB3 ARG A 57 0.952 -7.330 -4.171 1.00 52.33 H new ATOM 0 HG2 ARG A 57 0.878 -7.100 -6.604 1.00 32.42 H new ATOM 0 HG3 ARG A 57 -0.004 -8.541 -6.138 1.00 32.42 H new ATOM 0 HD2 ARG A 57 -2.165 -7.205 -6.310 1.00 12.32 H new ATOM 0 HD3 ARG A 57 -1.233 -5.851 -6.916 1.00 12.32 H new ATOM 0 HE ARG A 57 -0.499 -7.932 -8.602 1.00 14.43 H new ATOM 0 HH11 ARG A 57 -3.618 -6.488 -7.680 1.00 34.33 H new ATOM 0 HH12 ARG A 57 -4.377 -6.911 -9.218 1.00 34.33 H new ATOM 0 HH21 ARG A 57 -1.520 -8.492 -10.519 1.00 74.43 H new ATOM 0 HH22 ARG A 57 -3.202 -8.034 -10.807 1.00 74.43 H new ATOM 962 N LYS A 58 -0.565 -9.689 -2.842 1.00 25.52 N ATOM 963 CA LYS A 58 0.004 -10.670 -1.927 1.00 61.44 C ATOM 964 C LYS A 58 1.527 -10.698 -2.158 1.00 43.25 C ATOM 965 O LYS A 58 1.982 -10.948 -3.281 1.00 10.22 O ATOM 966 CB LYS A 58 -0.639 -12.059 -2.199 1.00 2.05 C ATOM 967 CG LYS A 58 -0.179 -13.181 -1.244 1.00 62.54 C ATOM 968 CD LYS A 58 -0.893 -14.534 -1.500 1.00 50.32 C ATOM 969 CE LYS A 58 -2.420 -14.479 -1.293 1.00 34.11 C ATOM 970 NZ LYS A 58 -3.069 -15.789 -1.601 1.00 75.02 N ATOM 0 H LYS A 58 -0.875 -10.096 -3.725 1.00 25.52 H new ATOM 0 HA LYS A 58 -0.197 -10.410 -0.888 1.00 61.44 H new ATOM 0 HB2 LYS A 58 -1.722 -11.963 -2.129 1.00 2.05 H new ATOM 0 HB3 LYS A 58 -0.411 -12.356 -3.223 1.00 2.05 H new ATOM 0 HG2 LYS A 58 0.897 -13.320 -1.349 1.00 62.54 H new ATOM 0 HG3 LYS A 58 -0.361 -12.871 -0.215 1.00 62.54 H new ATOM 0 HD2 LYS A 58 -0.685 -14.857 -2.520 1.00 50.32 H new ATOM 0 HD3 LYS A 58 -0.472 -15.288 -0.835 1.00 50.32 H new ATOM 0 HE2 LYS A 58 -2.637 -14.199 -0.262 1.00 34.11 H new ATOM 0 HE3 LYS A 58 -2.846 -13.704 -1.930 1.00 34.11 H new ATOM 0 HZ1 LYS A 58 -4.024 -15.623 -1.978 1.00 75.02 H new ATOM 0 HZ2 LYS A 58 -2.502 -16.300 -2.307 1.00 75.02 H new ATOM 0 HZ3 LYS A 58 -3.134 -16.357 -0.732 1.00 75.02 H new ATOM 984 N VAL A 59 2.297 -10.408 -1.106 1.00 64.41 N ATOM 985 CA VAL A 59 3.776 -10.371 -1.150 1.00 45.10 C ATOM 986 C VAL A 59 4.344 -11.390 -0.165 1.00 2.34 C ATOM 987 O VAL A 59 3.729 -11.663 0.876 1.00 62.51 O ATOM 988 CB VAL A 59 4.338 -8.935 -0.826 1.00 23.54 C ATOM 989 CG1 VAL A 59 4.084 -7.958 -2.000 1.00 45.33 C ATOM 990 CG2 VAL A 59 3.742 -8.394 0.501 1.00 53.21 C ATOM 0 H VAL A 59 1.915 -10.189 -0.186 1.00 64.41 H new ATOM 0 HA VAL A 59 4.088 -10.623 -2.164 1.00 45.10 H new ATOM 0 HB VAL A 59 5.417 -9.016 -0.696 1.00 23.54 H new ATOM 0 HG11 VAL A 59 4.482 -6.975 -1.748 1.00 45.33 H new ATOM 0 HG12 VAL A 59 4.578 -8.331 -2.897 1.00 45.33 H new ATOM 0 HG13 VAL A 59 3.012 -7.879 -2.182 1.00 45.33 H new ATOM 0 HG21 VAL A 59 4.145 -7.402 0.703 1.00 53.21 H new ATOM 0 HG22 VAL A 59 2.657 -8.334 0.415 1.00 53.21 H new ATOM 0 HG23 VAL A 59 4.005 -9.066 1.318 1.00 53.21 H new ATOM 1000 N LYS A 60 5.524 -11.932 -0.497 1.00 53.34 N ATOM 1001 CA LYS A 60 6.167 -12.998 0.287 1.00 10.52 C ATOM 1002 C LYS A 60 6.766 -12.436 1.594 1.00 62.20 C ATOM 1003 O LYS A 60 6.388 -12.867 2.691 1.00 42.11 O ATOM 1004 CB LYS A 60 7.246 -13.715 -0.570 1.00 13.45 C ATOM 1005 CG LYS A 60 6.729 -14.317 -1.908 1.00 23.25 C ATOM 1006 CD LYS A 60 5.605 -15.371 -1.729 1.00 3.32 C ATOM 1007 CE LYS A 60 6.003 -16.555 -0.819 1.00 62.35 C ATOM 1008 NZ LYS A 60 7.239 -17.243 -1.278 1.00 64.40 N ATOM 0 H LYS A 60 6.060 -11.645 -1.316 1.00 53.34 H new ATOM 0 HA LYS A 60 5.411 -13.732 0.566 1.00 10.52 H new ATOM 0 HB2 LYS A 60 8.043 -13.005 -0.792 1.00 13.45 H new ATOM 0 HB3 LYS A 60 7.688 -14.515 0.024 1.00 13.45 H new ATOM 0 HG2 LYS A 60 6.359 -13.509 -2.540 1.00 23.25 H new ATOM 0 HG3 LYS A 60 7.565 -14.777 -2.435 1.00 23.25 H new ATOM 0 HD2 LYS A 60 4.725 -14.883 -1.311 1.00 3.32 H new ATOM 0 HD3 LYS A 60 5.321 -15.756 -2.708 1.00 3.32 H new ATOM 0 HE2 LYS A 60 6.151 -16.192 0.198 1.00 62.35 H new ATOM 0 HE3 LYS A 60 5.184 -17.273 -0.785 1.00 62.35 H new ATOM 0 HZ1 LYS A 60 7.431 -18.059 -0.662 1.00 64.40 H new ATOM 0 HZ2 LYS A 60 7.111 -17.571 -2.257 1.00 64.40 H new ATOM 0 HZ3 LYS A 60 8.040 -16.581 -1.237 1.00 64.40 H new ATOM 1022 N ASP A 61 7.688 -11.467 1.456 1.00 11.04 N ATOM 1023 CA ASP A 61 8.308 -10.739 2.600 1.00 44.22 C ATOM 1024 C ASP A 61 9.032 -9.482 2.051 1.00 65.32 C ATOM 1025 O ASP A 61 8.828 -9.148 0.886 1.00 21.35 O ATOM 1026 CB ASP A 61 9.260 -11.680 3.412 1.00 1.14 C ATOM 1027 CG ASP A 61 9.506 -11.181 4.854 1.00 53.11 C ATOM 1028 OD1 ASP A 61 8.554 -11.205 5.674 1.00 44.42 O ATOM 1029 OD2 ASP A 61 10.641 -10.751 5.171 1.00 2.44 O ATOM 0 H ASP A 61 8.032 -11.158 0.547 1.00 11.04 H new ATOM 0 HA ASP A 61 7.540 -10.414 3.302 1.00 44.22 H new ATOM 0 HB2 ASP A 61 8.831 -12.681 3.447 1.00 1.14 H new ATOM 0 HB3 ASP A 61 10.215 -11.760 2.892 1.00 1.14 H new ATOM 1034 N ASP A 62 9.885 -8.807 2.869 1.00 60.12 N ATOM 1035 CA ASP A 62 10.533 -7.500 2.510 1.00 70.02 C ATOM 1036 C ASP A 62 11.482 -7.637 1.307 1.00 2.52 C ATOM 1037 O ASP A 62 11.753 -6.656 0.606 1.00 63.40 O ATOM 1038 CB ASP A 62 11.293 -6.907 3.733 1.00 21.33 C ATOM 1039 CG ASP A 62 10.357 -6.494 4.876 1.00 1.43 C ATOM 1040 OD1 ASP A 62 9.652 -7.374 5.409 1.00 43.12 O ATOM 1041 OD2 ASP A 62 10.310 -5.298 5.249 1.00 11.20 O ATOM 0 H ASP A 62 10.147 -9.146 3.795 1.00 60.12 H new ATOM 0 HA ASP A 62 9.735 -6.815 2.223 1.00 70.02 H new ATOM 0 HB2 ASP A 62 12.006 -7.644 4.103 1.00 21.33 H new ATOM 0 HB3 ASP A 62 11.869 -6.040 3.411 1.00 21.33 H new ATOM 1046 N ASP A 63 11.984 -8.867 1.113 1.00 2.20 N ATOM 1047 CA ASP A 63 12.722 -9.282 -0.093 1.00 54.25 C ATOM 1048 C ASP A 63 11.868 -9.007 -1.350 1.00 4.53 C ATOM 1049 O ASP A 63 12.260 -8.228 -2.227 1.00 44.55 O ATOM 1050 CB ASP A 63 13.077 -10.792 0.015 1.00 44.24 C ATOM 1051 CG ASP A 63 13.742 -11.356 -1.251 1.00 44.04 C ATOM 1052 OD1 ASP A 63 14.966 -11.177 -1.420 1.00 73.12 O ATOM 1053 OD2 ASP A 63 13.042 -11.983 -2.087 1.00 23.23 O ATOM 0 H ASP A 63 11.887 -9.614 1.801 1.00 2.20 H new ATOM 0 HA ASP A 63 13.646 -8.710 -0.176 1.00 54.25 H new ATOM 0 HB2 ASP A 63 13.745 -10.941 0.864 1.00 44.24 H new ATOM 0 HB3 ASP A 63 12.168 -11.357 0.221 1.00 44.24 H new ATOM 1058 N ASP A 64 10.656 -9.599 -1.348 1.00 32.23 N ATOM 1059 CA ASP A 64 9.699 -9.540 -2.467 1.00 70.11 C ATOM 1060 C ASP A 64 9.075 -8.130 -2.582 1.00 44.43 C ATOM 1061 O ASP A 64 8.759 -7.683 -3.680 1.00 2.34 O ATOM 1062 CB ASP A 64 8.601 -10.620 -2.261 1.00 3.22 C ATOM 1063 CG ASP A 64 7.648 -10.768 -3.459 1.00 14.23 C ATOM 1064 OD1 ASP A 64 8.097 -11.255 -4.522 1.00 2.23 O ATOM 1065 OD2 ASP A 64 6.455 -10.410 -3.344 1.00 63.35 O ATOM 0 H ASP A 64 10.311 -10.140 -0.555 1.00 32.23 H new ATOM 0 HA ASP A 64 10.225 -9.742 -3.400 1.00 70.11 H new ATOM 0 HB2 ASP A 64 9.080 -11.580 -2.068 1.00 3.22 H new ATOM 0 HB3 ASP A 64 8.019 -10.370 -1.374 1.00 3.22 H new ATOM 1070 N ILE A 65 8.958 -7.442 -1.422 1.00 40.53 N ATOM 1071 CA ILE A 65 8.367 -6.090 -1.298 1.00 74.30 C ATOM 1072 C ILE A 65 9.256 -5.024 -1.963 1.00 63.52 C ATOM 1073 O ILE A 65 8.782 -4.252 -2.792 1.00 21.32 O ATOM 1074 CB ILE A 65 8.128 -5.726 0.220 1.00 1.43 C ATOM 1075 CG1 ILE A 65 6.938 -6.560 0.797 1.00 25.41 C ATOM 1076 CG2 ILE A 65 7.917 -4.204 0.442 1.00 44.43 C ATOM 1077 CD1 ILE A 65 6.739 -6.435 2.295 1.00 23.24 C ATOM 0 H ILE A 65 9.278 -7.819 -0.530 1.00 40.53 H new ATOM 0 HA ILE A 65 7.408 -6.102 -1.816 1.00 74.30 H new ATOM 0 HB ILE A 65 9.034 -5.989 0.766 1.00 1.43 H new ATOM 0 HG12 ILE A 65 6.020 -6.251 0.296 1.00 25.41 H new ATOM 0 HG13 ILE A 65 7.097 -7.610 0.552 1.00 25.41 H new ATOM 0 HG21 ILE A 65 7.757 -4.010 1.503 1.00 44.43 H new ATOM 0 HG22 ILE A 65 8.799 -3.661 0.103 1.00 44.43 H new ATOM 0 HG23 ILE A 65 7.046 -3.871 -0.123 1.00 44.43 H new ATOM 0 HD11 ILE A 65 5.892 -7.048 2.602 1.00 23.24 H new ATOM 0 HD12 ILE A 65 7.638 -6.773 2.811 1.00 23.24 H new ATOM 0 HD13 ILE A 65 6.544 -5.393 2.551 1.00 23.24 H new ATOM 1089 N ASP A 66 10.544 -4.977 -1.576 1.00 2.22 N ATOM 1090 CA ASP A 66 11.516 -4.007 -2.127 1.00 51.54 C ATOM 1091 C ASP A 66 11.645 -4.169 -3.663 1.00 71.12 C ATOM 1092 O ASP A 66 11.745 -3.183 -4.403 1.00 64.41 O ATOM 1093 CB ASP A 66 12.885 -4.184 -1.414 1.00 41.42 C ATOM 1094 CG ASP A 66 13.913 -3.103 -1.791 1.00 55.43 C ATOM 1095 OD1 ASP A 66 13.895 -2.011 -1.179 1.00 3.45 O ATOM 1096 OD2 ASP A 66 14.740 -3.330 -2.704 1.00 34.14 O ATOM 0 H ASP A 66 10.941 -5.605 -0.877 1.00 2.22 H new ATOM 0 HA ASP A 66 11.160 -2.994 -1.942 1.00 51.54 H new ATOM 0 HB2 ASP A 66 12.730 -4.167 -0.335 1.00 41.42 H new ATOM 0 HB3 ASP A 66 13.292 -5.164 -1.662 1.00 41.42 H new ATOM 1101 N LYS A 67 11.548 -5.436 -4.115 1.00 4.53 N ATOM 1102 CA LYS A 67 11.559 -5.787 -5.547 1.00 34.30 C ATOM 1103 C LYS A 67 10.203 -5.465 -6.202 1.00 44.44 C ATOM 1104 O LYS A 67 10.128 -5.296 -7.420 1.00 43.30 O ATOM 1105 CB LYS A 67 11.883 -7.282 -5.749 1.00 34.13 C ATOM 1106 CG LYS A 67 13.292 -7.707 -5.294 1.00 4.14 C ATOM 1107 CD LYS A 67 13.578 -9.199 -5.598 1.00 72.25 C ATOM 1108 CE LYS A 67 12.544 -10.144 -4.965 1.00 53.12 C ATOM 1109 NZ LYS A 67 12.916 -11.569 -5.130 1.00 45.43 N ATOM 0 H LYS A 67 11.460 -6.243 -3.497 1.00 4.53 H new ATOM 0 HA LYS A 67 12.336 -5.189 -6.023 1.00 34.30 H new ATOM 0 HB2 LYS A 67 11.147 -7.875 -5.206 1.00 34.13 H new ATOM 0 HB3 LYS A 67 11.770 -7.524 -6.806 1.00 34.13 H new ATOM 0 HG2 LYS A 67 14.036 -7.087 -5.794 1.00 4.14 H new ATOM 0 HG3 LYS A 67 13.396 -7.529 -4.224 1.00 4.14 H new ATOM 0 HD2 LYS A 67 13.588 -9.350 -6.677 1.00 72.25 H new ATOM 0 HD3 LYS A 67 14.571 -9.456 -5.231 1.00 72.25 H new ATOM 0 HE2 LYS A 67 12.447 -9.916 -3.904 1.00 53.12 H new ATOM 0 HE3 LYS A 67 11.569 -9.970 -5.419 1.00 53.12 H new ATOM 0 HZ1 LYS A 67 12.164 -12.066 -5.648 1.00 45.43 H new ATOM 0 HZ2 LYS A 67 13.806 -11.636 -5.663 1.00 45.43 H new ATOM 0 HZ3 LYS A 67 13.039 -12.006 -4.194 1.00 45.43 H new ATOM 1123 N TRP A 68 9.137 -5.435 -5.383 1.00 11.45 N ATOM 1124 CA TRP A 68 7.782 -5.101 -5.843 1.00 2.11 C ATOM 1125 C TRP A 68 7.681 -3.597 -6.158 1.00 13.53 C ATOM 1126 O TRP A 68 7.075 -3.216 -7.148 1.00 61.33 O ATOM 1127 CB TRP A 68 6.710 -5.534 -4.799 1.00 74.22 C ATOM 1128 CG TRP A 68 5.327 -5.656 -5.381 1.00 14.13 C ATOM 1129 CD1 TRP A 68 4.753 -6.788 -5.887 1.00 2.32 C ATOM 1130 CD2 TRP A 68 4.357 -4.612 -5.538 1.00 21.12 C ATOM 1131 NE1 TRP A 68 3.496 -6.507 -6.350 1.00 52.14 N ATOM 1132 CE2 TRP A 68 3.229 -5.183 -6.144 1.00 65.03 C ATOM 1133 CE3 TRP A 68 4.336 -3.247 -5.225 1.00 51.21 C ATOM 1134 CZ2 TRP A 68 2.094 -4.443 -6.446 1.00 31.42 C ATOM 1135 CZ3 TRP A 68 3.203 -2.518 -5.516 1.00 33.41 C ATOM 1136 CH2 TRP A 68 2.097 -3.120 -6.121 1.00 11.41 C ATOM 0 H TRP A 68 9.193 -5.642 -4.386 1.00 11.45 H new ATOM 0 HA TRP A 68 7.584 -5.656 -6.760 1.00 2.11 H new ATOM 0 HB2 TRP A 68 7.000 -6.491 -4.366 1.00 74.22 H new ATOM 0 HB3 TRP A 68 6.692 -4.809 -3.985 1.00 74.22 H new ATOM 0 HD1 TRP A 68 5.222 -7.761 -5.917 1.00 2.32 H new ATOM 0 HE1 TRP A 68 2.860 -7.179 -6.780 1.00 52.14 H new ATOM 0 HE3 TRP A 68 5.191 -2.775 -4.764 1.00 51.21 H new ATOM 0 HZ2 TRP A 68 1.239 -4.900 -6.922 1.00 31.42 H new ATOM 0 HZ3 TRP A 68 3.170 -1.466 -5.273 1.00 33.41 H new ATOM 0 HH2 TRP A 68 1.224 -2.522 -6.336 1.00 11.41 H new ATOM 1147 N ILE A 69 8.298 -2.744 -5.321 1.00 43.31 N ATOM 1148 CA ILE A 69 8.366 -1.292 -5.592 1.00 62.32 C ATOM 1149 C ILE A 69 9.293 -1.051 -6.809 1.00 45.51 C ATOM 1150 O ILE A 69 9.012 -0.194 -7.655 1.00 63.43 O ATOM 1151 CB ILE A 69 8.845 -0.465 -4.319 1.00 71.55 C ATOM 1152 CG1 ILE A 69 7.697 -0.318 -3.256 1.00 73.14 C ATOM 1153 CG2 ILE A 69 9.391 0.939 -4.701 1.00 20.42 C ATOM 1154 CD1 ILE A 69 7.279 -1.589 -2.536 1.00 15.23 C ATOM 0 H ILE A 69 8.755 -3.030 -4.455 1.00 43.31 H new ATOM 0 HA ILE A 69 7.364 -0.932 -5.824 1.00 62.32 H new ATOM 0 HB ILE A 69 9.660 -1.037 -3.877 1.00 71.55 H new ATOM 0 HG12 ILE A 69 8.014 0.410 -2.509 1.00 73.14 H new ATOM 0 HG13 ILE A 69 6.821 0.097 -3.754 1.00 73.14 H new ATOM 0 HG21 ILE A 69 9.705 1.465 -3.799 1.00 20.42 H new ATOM 0 HG22 ILE A 69 10.243 0.828 -5.372 1.00 20.42 H new ATOM 0 HG23 ILE A 69 8.608 1.510 -5.200 1.00 20.42 H new ATOM 0 HD11 ILE A 69 6.481 -1.361 -1.829 1.00 15.23 H new ATOM 0 HD12 ILE A 69 6.922 -2.318 -3.263 1.00 15.23 H new ATOM 0 HD13 ILE A 69 8.133 -2.001 -1.999 1.00 15.23 H new ATOM 1166 N ASP A 70 10.368 -1.868 -6.895 1.00 42.12 N ATOM 1167 CA ASP A 70 11.330 -1.842 -8.015 1.00 43.33 C ATOM 1168 C ASP A 70 10.627 -2.089 -9.364 1.00 24.32 C ATOM 1169 O ASP A 70 10.790 -1.300 -10.306 1.00 2.23 O ATOM 1170 CB ASP A 70 12.456 -2.891 -7.785 1.00 44.24 C ATOM 1171 CG ASP A 70 13.436 -3.003 -8.967 1.00 54.44 C ATOM 1172 OD1 ASP A 70 14.263 -2.082 -9.153 1.00 40.03 O ATOM 1173 OD2 ASP A 70 13.391 -4.011 -9.711 1.00 33.43 O ATOM 0 H ASP A 70 10.591 -2.566 -6.185 1.00 42.12 H new ATOM 0 HA ASP A 70 11.778 -0.849 -8.051 1.00 43.33 H new ATOM 0 HB2 ASP A 70 13.012 -2.626 -6.886 1.00 44.24 H new ATOM 0 HB3 ASP A 70 12.003 -3.866 -7.604 1.00 44.24 H new ATOM 1178 N LYS A 71 9.805 -3.166 -9.430 1.00 20.23 N ATOM 1179 CA LYS A 71 9.112 -3.554 -10.672 1.00 23.05 C ATOM 1180 C LYS A 71 8.081 -2.485 -11.076 1.00 65.21 C ATOM 1181 O LYS A 71 7.909 -2.231 -12.252 1.00 43.02 O ATOM 1182 CB LYS A 71 8.442 -4.963 -10.563 1.00 73.12 C ATOM 1183 CG LYS A 71 7.186 -5.052 -9.662 1.00 2.45 C ATOM 1184 CD LYS A 71 6.615 -6.489 -9.515 1.00 40.31 C ATOM 1185 CE LYS A 71 7.593 -7.456 -8.827 1.00 3.32 C ATOM 1186 NZ LYS A 71 7.021 -8.823 -8.658 1.00 65.14 N ATOM 0 H LYS A 71 9.610 -3.776 -8.636 1.00 20.23 H new ATOM 0 HA LYS A 71 9.868 -3.622 -11.454 1.00 23.05 H new ATOM 0 HB2 LYS A 71 8.169 -5.292 -11.566 1.00 73.12 H new ATOM 0 HB3 LYS A 71 9.184 -5.668 -10.188 1.00 73.12 H new ATOM 0 HG2 LYS A 71 7.433 -4.667 -8.673 1.00 2.45 H new ATOM 0 HG3 LYS A 71 6.411 -4.404 -10.071 1.00 2.45 H new ATOM 0 HD2 LYS A 71 5.689 -6.449 -8.942 1.00 40.31 H new ATOM 0 HD3 LYS A 71 6.363 -6.877 -10.502 1.00 40.31 H new ATOM 0 HE2 LYS A 71 8.509 -7.519 -9.414 1.00 3.32 H new ATOM 0 HE3 LYS A 71 7.867 -7.057 -7.850 1.00 3.32 H new ATOM 0 HZ1 LYS A 71 7.719 -9.436 -8.190 1.00 65.14 H new ATOM 0 HZ2 LYS A 71 6.161 -8.770 -8.076 1.00 65.14 H new ATOM 0 HZ3 LYS A 71 6.784 -9.218 -9.590 1.00 65.14 H new ATOM 1200 N ILE A 72 7.450 -1.836 -10.074 1.00 44.15 N ATOM 1201 CA ILE A 72 6.419 -0.796 -10.284 1.00 71.25 C ATOM 1202 C ILE A 72 7.019 0.497 -10.884 1.00 51.50 C ATOM 1203 O ILE A 72 6.417 1.112 -11.770 1.00 51.32 O ATOM 1204 CB ILE A 72 5.668 -0.505 -8.929 1.00 14.13 C ATOM 1205 CG1 ILE A 72 4.755 -1.707 -8.539 1.00 60.34 C ATOM 1206 CG2 ILE A 72 4.855 0.806 -8.956 1.00 63.20 C ATOM 1207 CD1 ILE A 72 3.627 -2.015 -9.510 1.00 61.32 C ATOM 0 H ILE A 72 7.643 -2.020 -9.089 1.00 44.15 H new ATOM 0 HA ILE A 72 5.699 -1.172 -11.010 1.00 71.25 H new ATOM 0 HB ILE A 72 6.439 -0.377 -8.169 1.00 14.13 H new ATOM 0 HG12 ILE A 72 5.378 -2.596 -8.439 1.00 60.34 H new ATOM 0 HG13 ILE A 72 4.323 -1.509 -7.558 1.00 60.34 H new ATOM 0 HG21 ILE A 72 4.362 0.948 -7.994 1.00 63.20 H new ATOM 0 HG22 ILE A 72 5.524 1.645 -9.149 1.00 63.20 H new ATOM 0 HG23 ILE A 72 4.104 0.752 -9.744 1.00 63.20 H new ATOM 0 HD11 ILE A 72 3.054 -2.867 -9.144 1.00 61.32 H new ATOM 0 HD12 ILE A 72 2.973 -1.147 -9.594 1.00 61.32 H new ATOM 0 HD13 ILE A 72 4.044 -2.252 -10.489 1.00 61.32 H new ATOM 1219 N LYS A 73 8.218 0.887 -10.402 1.00 33.12 N ATOM 1220 CA LYS A 73 8.978 2.020 -10.975 1.00 65.54 C ATOM 1221 C LYS A 73 9.468 1.668 -12.395 1.00 23.15 C ATOM 1222 O LYS A 73 9.682 2.545 -13.224 1.00 30.33 O ATOM 1223 CB LYS A 73 10.196 2.379 -10.082 1.00 42.33 C ATOM 1224 CG LYS A 73 9.848 2.814 -8.640 1.00 3.52 C ATOM 1225 CD LYS A 73 11.104 3.160 -7.801 1.00 4.33 C ATOM 1226 CE LYS A 73 12.063 1.962 -7.636 1.00 52.45 C ATOM 1227 NZ LYS A 73 13.343 2.358 -6.988 1.00 65.30 N ATOM 0 H LYS A 73 8.682 0.433 -9.615 1.00 33.12 H new ATOM 0 HA LYS A 73 8.313 2.882 -11.023 1.00 65.54 H new ATOM 0 HB2 LYS A 73 10.859 1.515 -10.034 1.00 42.33 H new ATOM 0 HB3 LYS A 73 10.754 3.183 -10.562 1.00 42.33 H new ATOM 0 HG2 LYS A 73 9.189 3.682 -8.675 1.00 3.52 H new ATOM 0 HG3 LYS A 73 9.295 2.014 -8.147 1.00 3.52 H new ATOM 0 HD2 LYS A 73 11.637 3.983 -8.276 1.00 4.33 H new ATOM 0 HD3 LYS A 73 10.793 3.508 -6.816 1.00 4.33 H new ATOM 0 HE2 LYS A 73 11.578 1.189 -7.039 1.00 52.45 H new ATOM 0 HE3 LYS A 73 12.271 1.527 -8.613 1.00 52.45 H new ATOM 0 HZ1 LYS A 73 13.958 1.524 -6.896 1.00 65.30 H new ATOM 0 HZ2 LYS A 73 13.819 3.077 -7.570 1.00 65.30 H new ATOM 0 HZ3 LYS A 73 13.148 2.750 -6.045 1.00 65.30 H new ATOM 1241 N LYS A 74 9.655 0.363 -12.641 1.00 51.35 N ATOM 1242 CA LYS A 74 10.138 -0.176 -13.924 1.00 33.53 C ATOM 1243 C LYS A 74 8.972 -0.312 -14.936 1.00 0.14 C ATOM 1244 O LYS A 74 9.189 -0.341 -16.151 1.00 70.14 O ATOM 1245 CB LYS A 74 10.823 -1.539 -13.631 1.00 11.31 C ATOM 1246 CG LYS A 74 11.687 -2.130 -14.763 1.00 43.21 C ATOM 1247 CD LYS A 74 12.330 -3.489 -14.373 1.00 70.20 C ATOM 1248 CE LYS A 74 13.111 -3.435 -13.044 1.00 63.53 C ATOM 1249 NZ LYS A 74 13.609 -4.777 -12.630 1.00 74.23 N ATOM 0 H LYS A 74 9.473 -0.360 -11.945 1.00 51.35 H new ATOM 0 HA LYS A 74 10.859 0.500 -14.383 1.00 33.53 H new ATOM 0 HB2 LYS A 74 11.451 -1.423 -12.747 1.00 11.31 H new ATOM 0 HB3 LYS A 74 10.048 -2.263 -13.379 1.00 11.31 H new ATOM 0 HG2 LYS A 74 11.072 -2.265 -15.653 1.00 43.21 H new ATOM 0 HG3 LYS A 74 12.473 -1.421 -15.024 1.00 43.21 H new ATOM 0 HD2 LYS A 74 11.548 -4.244 -14.296 1.00 70.20 H new ATOM 0 HD3 LYS A 74 13.003 -3.807 -15.169 1.00 70.20 H new ATOM 0 HE2 LYS A 74 13.954 -2.752 -13.147 1.00 63.53 H new ATOM 0 HE3 LYS A 74 12.468 -3.031 -12.262 1.00 63.53 H new ATOM 0 HZ1 LYS A 74 13.642 -4.830 -11.592 1.00 74.23 H new ATOM 0 HZ2 LYS A 74 12.970 -5.512 -12.994 1.00 74.23 H new ATOM 0 HZ3 LYS A 74 14.564 -4.927 -13.014 1.00 74.23 H new ATOM 1263 N GLU A 75 7.732 -0.402 -14.415 1.00 20.30 N ATOM 1264 CA GLU A 75 6.505 -0.355 -15.236 1.00 14.02 C ATOM 1265 C GLU A 75 6.209 1.105 -15.615 1.00 31.50 C ATOM 1266 O GLU A 75 5.967 1.427 -16.783 1.00 5.24 O ATOM 1267 CB GLU A 75 5.283 -0.946 -14.467 1.00 42.13 C ATOM 1268 CG GLU A 75 5.417 -2.420 -14.038 1.00 31.12 C ATOM 1269 CD GLU A 75 5.606 -3.388 -15.212 1.00 62.30 C ATOM 1270 OE1 GLU A 75 4.601 -3.787 -15.837 1.00 35.05 O ATOM 1271 OE2 GLU A 75 6.763 -3.764 -15.509 1.00 70.11 O ATOM 0 H GLU A 75 7.553 -0.509 -13.417 1.00 20.30 H new ATOM 0 HA GLU A 75 6.667 -0.956 -16.131 1.00 14.02 H new ATOM 0 HB2 GLU A 75 5.109 -0.341 -13.577 1.00 42.13 H new ATOM 0 HB3 GLU A 75 4.398 -0.848 -15.096 1.00 42.13 H new ATOM 0 HG2 GLU A 75 6.264 -2.516 -13.359 1.00 31.12 H new ATOM 0 HG3 GLU A 75 4.527 -2.709 -13.480 1.00 31.12 H new ATOM 1278 N ARG A 76 6.229 1.978 -14.593 1.00 1.45 N ATOM 1279 CA ARG A 76 5.915 3.404 -14.725 1.00 5.10 C ATOM 1280 C ARG A 76 6.983 4.227 -13.961 1.00 41.31 C ATOM 1281 O ARG A 76 6.898 4.361 -12.733 1.00 31.22 O ATOM 1282 CB ARG A 76 4.492 3.714 -14.159 1.00 30.42 C ATOM 1283 CG ARG A 76 3.354 2.786 -14.651 1.00 35.11 C ATOM 1284 CD ARG A 76 1.991 3.118 -14.012 1.00 61.12 C ATOM 1285 NE ARG A 76 1.042 1.996 -14.094 1.00 70.22 N ATOM 1286 CZ ARG A 76 0.239 1.596 -13.094 1.00 14.15 C ATOM 1287 NH1 ARG A 76 0.252 2.230 -11.917 1.00 72.04 N ATOM 1288 NH2 ARG A 76 -0.583 0.581 -13.275 1.00 0.40 N ATOM 0 H ARG A 76 6.468 1.705 -13.640 1.00 1.45 H new ATOM 0 HA ARG A 76 5.923 3.676 -15.781 1.00 5.10 H new ATOM 0 HB2 ARG A 76 4.535 3.660 -13.071 1.00 30.42 H new ATOM 0 HB3 ARG A 76 4.235 4.741 -14.417 1.00 30.42 H new ATOM 0 HG2 ARG A 76 3.270 2.865 -15.735 1.00 35.11 H new ATOM 0 HG3 ARG A 76 3.613 1.751 -14.426 1.00 35.11 H new ATOM 0 HD2 ARG A 76 2.140 3.388 -12.967 1.00 61.12 H new ATOM 0 HD3 ARG A 76 1.563 3.989 -14.509 1.00 61.12 H new ATOM 0 HE ARG A 76 0.990 1.484 -14.975 1.00 70.22 H new ATOM 0 HH11 ARG A 76 0.875 3.025 -11.773 1.00 72.04 H new ATOM 0 HH12 ARG A 76 -0.361 1.919 -11.164 1.00 72.04 H new ATOM 0 HH21 ARG A 76 -0.609 0.100 -14.174 1.00 0.40 H new ATOM 0 HH22 ARG A 76 -1.193 0.277 -12.516 1.00 0.40 H new ATOM 1302 N PRO A 77 8.038 4.749 -14.656 1.00 1.34 N ATOM 1303 CA PRO A 77 9.025 5.677 -14.049 1.00 24.22 C ATOM 1304 C PRO A 77 8.585 7.158 -14.164 1.00 34.33 C ATOM 1305 O PRO A 77 9.376 8.070 -13.905 1.00 32.22 O ATOM 1306 CB PRO A 77 10.285 5.381 -14.891 1.00 1.42 C ATOM 1307 CG PRO A 77 9.753 5.104 -16.270 1.00 34.53 C ATOM 1308 CD PRO A 77 8.386 4.452 -16.078 1.00 70.44 C ATOM 0 HA PRO A 77 9.163 5.532 -12.978 1.00 24.22 H new ATOM 0 HB2 PRO A 77 10.971 6.228 -14.892 1.00 1.42 H new ATOM 0 HB3 PRO A 77 10.835 4.526 -14.497 1.00 1.42 H new ATOM 0 HG2 PRO A 77 9.667 6.025 -16.846 1.00 34.53 H new ATOM 0 HG3 PRO A 77 10.424 4.445 -16.821 1.00 34.53 H new ATOM 0 HD2 PRO A 77 7.647 4.866 -16.764 1.00 70.44 H new ATOM 0 HD3 PRO A 77 8.427 3.379 -16.263 1.00 70.44 H new ATOM 1316 N GLN A 78 7.308 7.370 -14.542 1.00 63.12 N ATOM 1317 CA GLN A 78 6.744 8.699 -14.852 1.00 63.45 C ATOM 1318 C GLN A 78 5.841 9.213 -13.710 1.00 33.41 C ATOM 1319 O GLN A 78 5.188 10.258 -13.849 1.00 5.30 O ATOM 1320 CB GLN A 78 5.948 8.605 -16.186 1.00 1.03 C ATOM 1321 CG GLN A 78 6.753 8.024 -17.367 1.00 73.43 C ATOM 1322 CD GLN A 78 5.925 7.876 -18.645 1.00 23.33 C ATOM 1323 OE1 GLN A 78 5.856 8.794 -19.468 1.00 15.45 O ATOM 1324 NE2 GLN A 78 5.274 6.735 -18.805 1.00 61.54 N ATOM 0 H GLN A 78 6.631 6.613 -14.642 1.00 63.12 H new ATOM 0 HA GLN A 78 7.559 9.415 -14.957 1.00 63.45 H new ATOM 0 HB2 GLN A 78 5.064 7.987 -16.025 1.00 1.03 H new ATOM 0 HB3 GLN A 78 5.596 9.601 -16.456 1.00 1.03 H new ATOM 0 HG2 GLN A 78 7.608 8.670 -17.568 1.00 73.43 H new ATOM 0 HG3 GLN A 78 7.149 7.049 -17.084 1.00 73.43 H new ATOM 0 HE21 GLN A 78 5.355 5.999 -18.104 1.00 61.54 H new ATOM 0 HE22 GLN A 78 4.691 6.592 -19.630 1.00 61.54 H new ATOM 1333 N LEU A 79 5.826 8.490 -12.570 1.00 24.22 N ATOM 1334 CA LEU A 79 5.008 8.852 -11.392 1.00 70.31 C ATOM 1335 C LEU A 79 5.804 8.747 -10.080 1.00 60.22 C ATOM 1336 O LEU A 79 6.884 8.133 -10.030 1.00 42.51 O ATOM 1337 CB LEU A 79 3.684 8.023 -11.339 1.00 72.31 C ATOM 1338 CG LEU A 79 3.712 6.498 -11.704 1.00 25.14 C ATOM 1339 CD1 LEU A 79 4.615 5.664 -10.778 1.00 42.52 C ATOM 1340 CD2 LEU A 79 2.267 5.937 -11.716 1.00 62.10 C ATOM 0 H LEU A 79 6.378 7.642 -12.440 1.00 24.22 H new ATOM 0 HA LEU A 79 4.730 9.900 -11.504 1.00 70.31 H new ATOM 0 HB2 LEU A 79 3.285 8.110 -10.328 1.00 72.31 H new ATOM 0 HB3 LEU A 79 2.970 8.505 -12.006 1.00 72.31 H new ATOM 0 HG LEU A 79 4.149 6.415 -12.699 1.00 25.14 H new ATOM 0 HD11 LEU A 79 4.587 4.619 -11.087 1.00 42.52 H new ATOM 0 HD12 LEU A 79 5.639 6.034 -10.839 1.00 42.52 H new ATOM 0 HD13 LEU A 79 4.259 5.748 -9.751 1.00 42.52 H new ATOM 0 HD21 LEU A 79 2.290 4.877 -11.970 1.00 62.10 H new ATOM 0 HD22 LEU A 79 1.819 6.064 -10.730 1.00 62.10 H new ATOM 0 HD23 LEU A 79 1.674 6.475 -12.456 1.00 62.10 H new ATOM 1352 N GLU A 80 5.246 9.370 -9.034 1.00 11.33 N ATOM 1353 CA GLU A 80 5.766 9.297 -7.670 1.00 32.13 C ATOM 1354 C GLU A 80 5.467 7.899 -7.090 1.00 33.10 C ATOM 1355 O GLU A 80 4.331 7.432 -7.186 1.00 52.42 O ATOM 1356 CB GLU A 80 5.058 10.368 -6.816 1.00 25.24 C ATOM 1357 CG GLU A 80 5.209 11.834 -7.286 1.00 12.22 C ATOM 1358 CD GLU A 80 6.533 12.483 -6.859 1.00 74.21 C ATOM 1359 OE1 GLU A 80 7.537 12.339 -7.583 1.00 31.14 O ATOM 1360 OE2 GLU A 80 6.568 13.128 -5.782 1.00 14.01 O ATOM 0 H GLU A 80 4.409 9.946 -9.117 1.00 11.33 H new ATOM 0 HA GLU A 80 6.842 9.469 -7.666 1.00 32.13 H new ATOM 0 HB2 GLU A 80 3.995 10.129 -6.780 1.00 25.24 H new ATOM 0 HB3 GLU A 80 5.435 10.296 -5.796 1.00 25.24 H new ATOM 0 HG2 GLU A 80 5.131 11.868 -8.373 1.00 12.22 H new ATOM 0 HG3 GLU A 80 4.381 12.421 -6.888 1.00 12.22 H new ATOM 1367 N VAL A 81 6.484 7.246 -6.518 1.00 75.23 N ATOM 1368 CA VAL A 81 6.343 5.940 -5.836 1.00 30.25 C ATOM 1369 C VAL A 81 6.909 6.080 -4.421 1.00 61.32 C ATOM 1370 O VAL A 81 8.125 6.211 -4.240 1.00 65.41 O ATOM 1371 CB VAL A 81 7.087 4.765 -6.593 1.00 71.23 C ATOM 1372 CG1 VAL A 81 6.820 3.401 -5.907 1.00 11.20 C ATOM 1373 CG2 VAL A 81 6.697 4.718 -8.089 1.00 14.22 C ATOM 0 H VAL A 81 7.439 7.606 -6.511 1.00 75.23 H new ATOM 0 HA VAL A 81 5.285 5.678 -5.820 1.00 30.25 H new ATOM 0 HB VAL A 81 8.157 4.966 -6.537 1.00 71.23 H new ATOM 0 HG11 VAL A 81 7.343 2.613 -6.448 1.00 11.20 H new ATOM 0 HG12 VAL A 81 7.179 3.435 -4.878 1.00 11.20 H new ATOM 0 HG13 VAL A 81 5.750 3.195 -5.911 1.00 11.20 H new ATOM 0 HG21 VAL A 81 7.226 3.900 -8.577 1.00 14.22 H new ATOM 0 HG22 VAL A 81 5.622 4.561 -8.180 1.00 14.22 H new ATOM 0 HG23 VAL A 81 6.967 5.660 -8.565 1.00 14.22 H new ATOM 1383 N ARG A 82 6.020 6.109 -3.420 1.00 53.54 N ATOM 1384 CA ARG A 82 6.407 6.199 -2.006 1.00 41.41 C ATOM 1385 C ARG A 82 6.118 4.861 -1.317 1.00 24.32 C ATOM 1386 O ARG A 82 4.949 4.509 -1.099 1.00 60.55 O ATOM 1387 CB ARG A 82 5.627 7.343 -1.309 1.00 13.13 C ATOM 1388 CG ARG A 82 5.965 7.556 0.181 1.00 11.14 C ATOM 1389 CD ARG A 82 7.372 8.124 0.425 1.00 54.12 C ATOM 1390 NE ARG A 82 7.503 9.525 -0.032 1.00 50.51 N ATOM 1391 CZ ARG A 82 8.615 10.272 0.093 1.00 63.45 C ATOM 1392 NH1 ARG A 82 9.710 9.765 0.659 1.00 43.44 N ATOM 1393 NH2 ARG A 82 8.620 11.537 -0.325 1.00 3.21 N ATOM 0 H ARG A 82 5.011 6.071 -3.568 1.00 53.54 H new ATOM 0 HA ARG A 82 7.472 6.418 -1.935 1.00 41.41 H new ATOM 0 HB2 ARG A 82 5.820 8.272 -1.845 1.00 13.13 H new ATOM 0 HB3 ARG A 82 4.560 7.140 -1.397 1.00 13.13 H new ATOM 0 HG2 ARG A 82 5.230 8.233 0.617 1.00 11.14 H new ATOM 0 HG3 ARG A 82 5.872 6.604 0.704 1.00 11.14 H new ATOM 0 HD2 ARG A 82 7.603 8.069 1.489 1.00 54.12 H new ATOM 0 HD3 ARG A 82 8.105 7.506 -0.093 1.00 54.12 H new ATOM 0 HE ARG A 82 6.691 9.956 -0.474 1.00 50.51 H new ATOM 0 HH11 ARG A 82 9.709 8.804 1.001 1.00 43.44 H new ATOM 0 HH12 ARG A 82 10.549 10.338 0.750 1.00 43.44 H new ATOM 0 HH21 ARG A 82 7.780 11.940 -0.740 1.00 3.21 H new ATOM 0 HH22 ARG A 82 9.464 12.102 -0.230 1.00 3.21 H new ATOM 1407 N LYS A 83 7.183 4.098 -1.036 1.00 52.02 N ATOM 1408 CA LYS A 83 7.104 2.901 -0.194 1.00 41.33 C ATOM 1409 C LYS A 83 6.908 3.344 1.272 1.00 51.11 C ATOM 1410 O LYS A 83 7.710 4.109 1.822 1.00 33.40 O ATOM 1411 CB LYS A 83 8.381 2.035 -0.356 1.00 62.14 C ATOM 1412 CG LYS A 83 8.373 0.728 0.469 1.00 51.35 C ATOM 1413 CD LYS A 83 9.600 -0.179 0.202 1.00 53.11 C ATOM 1414 CE LYS A 83 10.923 0.448 0.661 1.00 72.02 C ATOM 1415 NZ LYS A 83 12.083 -0.447 0.402 1.00 21.31 N ATOM 0 H LYS A 83 8.121 4.294 -1.386 1.00 52.02 H new ATOM 0 HA LYS A 83 6.258 2.286 -0.499 1.00 41.33 H new ATOM 0 HB2 LYS A 83 8.505 1.785 -1.410 1.00 62.14 H new ATOM 0 HB3 LYS A 83 9.248 2.629 -0.065 1.00 62.14 H new ATOM 0 HG2 LYS A 83 8.339 0.977 1.530 1.00 51.35 H new ATOM 0 HG3 LYS A 83 7.464 0.171 0.244 1.00 51.35 H new ATOM 0 HD2 LYS A 83 9.459 -1.131 0.714 1.00 53.11 H new ATOM 0 HD3 LYS A 83 9.658 -0.396 -0.865 1.00 53.11 H new ATOM 0 HE2 LYS A 83 11.074 1.396 0.144 1.00 72.02 H new ATOM 0 HE3 LYS A 83 10.868 0.671 1.726 1.00 72.02 H new ATOM 0 HZ1 LYS A 83 12.952 -0.000 0.757 1.00 21.31 H new ATOM 0 HZ2 LYS A 83 11.936 -1.355 0.888 1.00 21.31 H new ATOM 0 HZ3 LYS A 83 12.172 -0.612 -0.621 1.00 21.31 H new ATOM 1429 N VAL A 84 5.798 2.906 1.861 1.00 23.21 N ATOM 1430 CA VAL A 84 5.406 3.226 3.238 1.00 24.41 C ATOM 1431 C VAL A 84 5.378 1.928 4.054 1.00 45.02 C ATOM 1432 O VAL A 84 4.387 1.200 4.054 1.00 43.24 O ATOM 1433 CB VAL A 84 4.003 3.948 3.255 1.00 40.21 C ATOM 1434 CG1 VAL A 84 3.453 4.129 4.683 1.00 15.31 C ATOM 1435 CG2 VAL A 84 4.072 5.307 2.513 1.00 3.22 C ATOM 0 H VAL A 84 5.127 2.303 1.385 1.00 23.21 H new ATOM 0 HA VAL A 84 6.128 3.910 3.684 1.00 24.41 H new ATOM 0 HB VAL A 84 3.305 3.299 2.726 1.00 40.21 H new ATOM 0 HG11 VAL A 84 2.486 4.631 4.640 1.00 15.31 H new ATOM 0 HG12 VAL A 84 3.335 3.153 5.154 1.00 15.31 H new ATOM 0 HG13 VAL A 84 4.148 4.732 5.267 1.00 15.31 H new ATOM 0 HG21 VAL A 84 3.093 5.785 2.538 1.00 3.22 H new ATOM 0 HG22 VAL A 84 4.803 5.951 3.001 1.00 3.22 H new ATOM 0 HG23 VAL A 84 4.368 5.141 1.477 1.00 3.22 H new ATOM 1445 N THR A 85 6.507 1.624 4.693 1.00 61.00 N ATOM 1446 CA THR A 85 6.662 0.443 5.552 1.00 10.01 C ATOM 1447 C THR A 85 5.865 0.594 6.868 1.00 70.34 C ATOM 1448 O THR A 85 5.183 -0.336 7.311 1.00 62.20 O ATOM 1449 CB THR A 85 8.174 0.221 5.870 1.00 31.43 C ATOM 1450 OG1 THR A 85 8.709 1.395 6.498 1.00 61.01 O ATOM 1451 CG2 THR A 85 8.990 -0.099 4.596 1.00 44.12 C ATOM 0 H THR A 85 7.350 2.194 4.630 1.00 61.00 H new ATOM 0 HA THR A 85 6.267 -0.421 5.017 1.00 10.01 H new ATOM 0 HB THR A 85 8.251 -0.635 6.540 1.00 31.43 H new ATOM 0 HG1 THR A 85 9.658 1.255 6.699 1.00 61.01 H new ATOM 0 HG21 THR A 85 10.037 -0.246 4.862 1.00 44.12 H new ATOM 0 HG22 THR A 85 8.602 -1.007 4.134 1.00 44.12 H new ATOM 0 HG23 THR A 85 8.907 0.730 3.893 1.00 44.12 H new ATOM 1459 N ASP A 86 5.959 1.791 7.470 1.00 53.54 N ATOM 1460 CA ASP A 86 5.362 2.101 8.789 1.00 61.03 C ATOM 1461 C ASP A 86 4.260 3.174 8.642 1.00 25.54 C ATOM 1462 O ASP A 86 4.330 4.017 7.738 1.00 73.35 O ATOM 1463 CB ASP A 86 6.481 2.588 9.752 1.00 44.25 C ATOM 1464 CG ASP A 86 6.028 2.682 11.222 1.00 3.53 C ATOM 1465 OD1 ASP A 86 5.471 3.722 11.618 1.00 22.21 O ATOM 1466 OD2 ASP A 86 6.235 1.712 11.987 1.00 25.33 O ATOM 0 H ASP A 86 6.455 2.580 7.055 1.00 53.54 H new ATOM 0 HA ASP A 86 4.901 1.203 9.201 1.00 61.03 H new ATOM 0 HB2 ASP A 86 7.330 1.907 9.684 1.00 44.25 H new ATOM 0 HB3 ASP A 86 6.831 3.567 9.424 1.00 44.25 H new ATOM 1471 N GLU A 87 3.274 3.139 9.565 1.00 51.35 N ATOM 1472 CA GLU A 87 2.107 4.056 9.593 1.00 22.33 C ATOM 1473 C GLU A 87 2.509 5.546 9.666 1.00 62.21 C ATOM 1474 O GLU A 87 1.818 6.395 9.116 1.00 33.10 O ATOM 1475 CB GLU A 87 1.199 3.731 10.810 1.00 2.44 C ATOM 1476 CG GLU A 87 1.874 3.977 12.173 1.00 34.34 C ATOM 1477 CD GLU A 87 0.935 3.790 13.360 1.00 1.44 C ATOM 1478 OE1 GLU A 87 0.570 2.636 13.661 1.00 73.14 O ATOM 1479 OE2 GLU A 87 0.558 4.799 14.002 1.00 31.01 O ATOM 0 H GLU A 87 3.264 2.461 10.327 1.00 51.35 H new ATOM 0 HA GLU A 87 1.574 3.897 8.655 1.00 22.33 H new ATOM 0 HB2 GLU A 87 0.295 4.336 10.749 1.00 2.44 H new ATOM 0 HB3 GLU A 87 0.889 2.688 10.752 1.00 2.44 H new ATOM 0 HG2 GLU A 87 2.720 3.297 12.278 1.00 34.34 H new ATOM 0 HG3 GLU A 87 2.275 4.990 12.193 1.00 34.34 H new ATOM 1486 N ASP A 88 3.624 5.835 10.372 1.00 42.21 N ATOM 1487 CA ASP A 88 4.153 7.202 10.582 1.00 61.12 C ATOM 1488 C ASP A 88 4.395 7.906 9.233 1.00 5.44 C ATOM 1489 O ASP A 88 4.141 9.102 9.077 1.00 73.23 O ATOM 1490 CB ASP A 88 5.466 7.102 11.401 1.00 41.50 C ATOM 1491 CG ASP A 88 6.058 8.463 11.812 1.00 12.31 C ATOM 1492 OD1 ASP A 88 6.668 9.148 10.960 1.00 21.03 O ATOM 1493 OD2 ASP A 88 5.920 8.854 12.990 1.00 3.31 O ATOM 0 H ASP A 88 4.191 5.115 10.819 1.00 42.21 H new ATOM 0 HA ASP A 88 3.426 7.799 11.132 1.00 61.12 H new ATOM 0 HB2 ASP A 88 5.277 6.514 12.299 1.00 41.50 H new ATOM 0 HB3 ASP A 88 6.207 6.558 10.814 1.00 41.50 H new ATOM 1498 N GLN A 89 4.854 7.110 8.267 1.00 3.45 N ATOM 1499 CA GLN A 89 5.139 7.559 6.905 1.00 34.11 C ATOM 1500 C GLN A 89 3.828 7.794 6.133 1.00 1.54 C ATOM 1501 O GLN A 89 3.755 8.708 5.331 1.00 42.35 O ATOM 1502 CB GLN A 89 6.047 6.517 6.206 1.00 22.52 C ATOM 1503 CG GLN A 89 7.361 6.248 6.975 1.00 63.33 C ATOM 1504 CD GLN A 89 8.194 5.075 6.460 1.00 35.15 C ATOM 1505 OE1 GLN A 89 9.423 5.090 6.549 1.00 42.43 O ATOM 1506 NE2 GLN A 89 7.548 4.028 5.971 1.00 70.34 N ATOM 0 H GLN A 89 5.041 6.118 8.412 1.00 3.45 H new ATOM 0 HA GLN A 89 5.669 8.511 6.929 1.00 34.11 H new ATOM 0 HB2 GLN A 89 5.499 5.581 6.096 1.00 22.52 H new ATOM 0 HB3 GLN A 89 6.285 6.867 5.202 1.00 22.52 H new ATOM 0 HG2 GLN A 89 7.973 7.149 6.940 1.00 63.33 H new ATOM 0 HG3 GLN A 89 7.119 6.067 8.022 1.00 63.33 H new ATOM 0 HE21 GLN A 89 6.530 4.041 5.908 1.00 70.34 H new ATOM 0 HE22 GLN A 89 8.068 3.209 5.657 1.00 70.34 H new ATOM 1515 N ALA A 90 2.783 6.980 6.419 1.00 24.41 N ATOM 1516 CA ALA A 90 1.432 7.165 5.823 1.00 55.15 C ATOM 1517 C ALA A 90 0.732 8.424 6.386 1.00 21.30 C ATOM 1518 O ALA A 90 -0.140 9.017 5.736 1.00 24.10 O ATOM 1519 CB ALA A 90 0.562 5.916 6.027 1.00 51.33 C ATOM 0 H ALA A 90 2.847 6.188 7.059 1.00 24.41 H new ATOM 0 HA ALA A 90 1.565 7.313 4.751 1.00 55.15 H new ATOM 0 HB1 ALA A 90 -0.419 6.079 5.582 1.00 51.33 H new ATOM 0 HB2 ALA A 90 1.038 5.059 5.551 1.00 51.33 H new ATOM 0 HB3 ALA A 90 0.449 5.722 7.094 1.00 51.33 H new ATOM 1525 N LYS A 91 1.125 8.803 7.607 1.00 41.45 N ATOM 1526 CA LYS A 91 0.664 10.032 8.269 1.00 3.35 C ATOM 1527 C LYS A 91 1.416 11.270 7.734 1.00 32.13 C ATOM 1528 O LYS A 91 0.848 12.356 7.646 1.00 35.34 O ATOM 1529 CB LYS A 91 0.851 9.893 9.798 1.00 34.44 C ATOM 1530 CG LYS A 91 0.001 8.763 10.426 1.00 61.31 C ATOM 1531 CD LYS A 91 0.322 8.508 11.917 1.00 45.11 C ATOM 1532 CE LYS A 91 0.024 9.719 12.812 1.00 22.50 C ATOM 1533 NZ LYS A 91 0.351 9.442 14.238 1.00 0.13 N ATOM 0 H LYS A 91 1.779 8.260 8.171 1.00 41.45 H new ATOM 0 HA LYS A 91 -0.394 10.175 8.049 1.00 3.35 H new ATOM 0 HB2 LYS A 91 1.903 9.706 10.011 1.00 34.44 H new ATOM 0 HB3 LYS A 91 0.592 10.839 10.275 1.00 34.44 H new ATOM 0 HG2 LYS A 91 -1.055 9.015 10.328 1.00 61.31 H new ATOM 0 HG3 LYS A 91 0.162 7.843 9.865 1.00 61.31 H new ATOM 0 HD2 LYS A 91 -0.258 7.654 12.267 1.00 45.11 H new ATOM 0 HD3 LYS A 91 1.374 8.241 12.016 1.00 45.11 H new ATOM 0 HE2 LYS A 91 0.600 10.578 12.467 1.00 22.50 H new ATOM 0 HE3 LYS A 91 -1.029 9.986 12.725 1.00 22.50 H new ATOM 0 HZ1 LYS A 91 0.137 10.282 14.813 1.00 0.13 H new ATOM 0 HZ2 LYS A 91 -0.217 8.638 14.575 1.00 0.13 H new ATOM 0 HZ3 LYS A 91 1.362 9.212 14.324 1.00 0.13 H new ATOM 1547 N GLN A 92 2.700 11.084 7.367 1.00 12.14 N ATOM 1548 CA GLN A 92 3.567 12.173 6.873 1.00 43.13 C ATOM 1549 C GLN A 92 3.252 12.501 5.393 1.00 11.13 C ATOM 1550 O GLN A 92 3.299 13.673 4.974 1.00 22.01 O ATOM 1551 CB GLN A 92 5.066 11.778 7.052 1.00 64.55 C ATOM 1552 CG GLN A 92 6.103 12.853 6.630 1.00 74.33 C ATOM 1553 CD GLN A 92 5.940 14.195 7.362 1.00 32.31 C ATOM 1554 OE1 GLN A 92 6.499 14.409 8.440 1.00 33.12 O ATOM 1555 NE2 GLN A 92 5.192 15.117 6.773 1.00 62.33 N ATOM 0 H GLN A 92 3.164 10.177 7.405 1.00 12.14 H new ATOM 0 HA GLN A 92 3.371 13.072 7.458 1.00 43.13 H new ATOM 0 HB2 GLN A 92 5.234 11.530 8.100 1.00 64.55 H new ATOM 0 HB3 GLN A 92 5.255 10.872 6.476 1.00 64.55 H new ATOM 0 HG2 GLN A 92 7.106 12.469 6.815 1.00 74.33 H new ATOM 0 HG3 GLN A 92 6.020 13.023 5.557 1.00 74.33 H new ATOM 0 HE21 GLN A 92 4.741 14.914 5.881 1.00 62.33 H new ATOM 0 HE22 GLN A 92 5.068 16.029 7.212 1.00 62.33 H new ATOM 1564 N ILE A 93 2.939 11.457 4.595 1.00 62.12 N ATOM 1565 CA ILE A 93 2.625 11.641 3.165 1.00 32.33 C ATOM 1566 C ILE A 93 1.342 12.452 2.922 1.00 34.43 C ATOM 1567 O ILE A 93 1.225 13.069 1.879 1.00 31.12 O ATOM 1568 CB ILE A 93 2.566 10.302 2.355 1.00 2.04 C ATOM 1569 CG1 ILE A 93 1.449 9.379 2.901 1.00 54.22 C ATOM 1570 CG2 ILE A 93 3.947 9.609 2.351 1.00 4.04 C ATOM 1571 CD1 ILE A 93 1.350 8.025 2.233 1.00 31.31 C ATOM 0 H ILE A 93 2.898 10.489 4.914 1.00 62.12 H new ATOM 0 HA ILE A 93 3.469 12.219 2.789 1.00 32.33 H new ATOM 0 HB ILE A 93 2.315 10.528 1.319 1.00 2.04 H new ATOM 0 HG12 ILE A 93 1.613 9.229 3.968 1.00 54.22 H new ATOM 0 HG13 ILE A 93 0.492 9.890 2.794 1.00 54.22 H new ATOM 0 HG21 ILE A 93 3.886 8.680 1.783 1.00 4.04 H new ATOM 0 HG22 ILE A 93 4.683 10.268 1.891 1.00 4.04 H new ATOM 0 HG23 ILE A 93 4.247 9.389 3.376 1.00 4.04 H new ATOM 0 HD11 ILE A 93 0.539 7.454 2.686 1.00 31.31 H new ATOM 0 HD12 ILE A 93 1.151 8.158 1.170 1.00 31.31 H new ATOM 0 HD13 ILE A 93 2.289 7.486 2.362 1.00 31.31 H new ATOM 1583 N LEU A 94 0.396 12.450 3.885 1.00 75.44 N ATOM 1584 CA LEU A 94 -0.770 13.382 3.879 1.00 74.33 C ATOM 1585 C LEU A 94 -0.335 14.830 3.492 1.00 64.44 C ATOM 1586 O LEU A 94 -1.030 15.533 2.754 1.00 23.21 O ATOM 1587 CB LEU A 94 -1.470 13.377 5.269 1.00 32.13 C ATOM 1588 CG LEU A 94 -2.153 12.034 5.689 1.00 61.14 C ATOM 1589 CD1 LEU A 94 -2.639 12.089 7.158 1.00 64.11 C ATOM 1590 CD2 LEU A 94 -3.313 11.676 4.724 1.00 20.15 C ATOM 0 H LEU A 94 0.410 11.814 4.682 1.00 75.44 H new ATOM 0 HA LEU A 94 -1.477 13.034 3.126 1.00 74.33 H new ATOM 0 HB2 LEU A 94 -0.731 13.638 6.027 1.00 32.13 H new ATOM 0 HB3 LEU A 94 -2.225 14.163 5.276 1.00 32.13 H new ATOM 0 HG LEU A 94 -1.407 11.242 5.620 1.00 61.14 H new ATOM 0 HD11 LEU A 94 -3.109 11.142 7.421 1.00 64.11 H new ATOM 0 HD12 LEU A 94 -1.789 12.267 7.816 1.00 64.11 H new ATOM 0 HD13 LEU A 94 -3.362 12.897 7.272 1.00 64.11 H new ATOM 0 HD21 LEU A 94 -3.771 10.738 5.038 1.00 20.15 H new ATOM 0 HD22 LEU A 94 -4.060 12.469 4.743 1.00 20.15 H new ATOM 0 HD23 LEU A 94 -2.924 11.569 3.711 1.00 20.15 H new ATOM 1602 N GLU A 95 0.861 15.215 3.978 1.00 75.41 N ATOM 1603 CA GLU A 95 1.514 16.503 3.676 1.00 34.51 C ATOM 1604 C GLU A 95 2.356 16.433 2.369 1.00 35.10 C ATOM 1605 O GLU A 95 2.367 17.387 1.605 1.00 11.20 O ATOM 1606 CB GLU A 95 2.390 16.928 4.879 1.00 22.44 C ATOM 1607 CG GLU A 95 1.611 17.022 6.212 1.00 4.31 C ATOM 1608 CD GLU A 95 2.480 17.477 7.391 1.00 64.35 C ATOM 1609 OE1 GLU A 95 2.636 18.701 7.586 1.00 1.25 O ATOM 1610 OE2 GLU A 95 3.020 16.611 8.123 1.00 11.22 O ATOM 0 H GLU A 95 1.411 14.627 4.604 1.00 75.41 H new ATOM 0 HA GLU A 95 0.740 17.252 3.510 1.00 34.51 H new ATOM 0 HB2 GLU A 95 3.205 16.213 4.994 1.00 22.44 H new ATOM 0 HB3 GLU A 95 2.843 17.896 4.664 1.00 22.44 H new ATOM 0 HG2 GLU A 95 0.781 17.718 6.091 1.00 4.31 H new ATOM 0 HG3 GLU A 95 1.179 16.048 6.442 1.00 4.31 H new ATOM 1617 N ASP A 96 3.090 15.310 2.162 1.00 2.20 N ATOM 1618 CA ASP A 96 3.917 15.047 0.919 1.00 61.12 C ATOM 1619 C ASP A 96 3.120 15.272 -0.399 1.00 52.35 C ATOM 1620 O ASP A 96 3.657 15.791 -1.393 1.00 40.03 O ATOM 1621 CB ASP A 96 4.476 13.599 0.976 1.00 31.33 C ATOM 1622 CG ASP A 96 5.300 13.156 -0.250 1.00 32.25 C ATOM 1623 OD1 ASP A 96 6.493 13.520 -0.335 1.00 34.40 O ATOM 1624 OD2 ASP A 96 4.774 12.428 -1.126 1.00 53.12 O ATOM 0 H ASP A 96 3.136 14.551 2.842 1.00 2.20 H new ATOM 0 HA ASP A 96 4.735 15.767 0.907 1.00 61.12 H new ATOM 0 HB2 ASP A 96 5.100 13.504 1.865 1.00 31.33 H new ATOM 0 HB3 ASP A 96 3.640 12.910 1.098 1.00 31.33 H new ATOM 1629 N LEU A 97 1.834 14.878 -0.360 1.00 14.13 N ATOM 1630 CA LEU A 97 0.848 15.065 -1.454 1.00 75.11 C ATOM 1631 C LEU A 97 0.603 16.581 -1.734 1.00 74.40 C ATOM 1632 O LEU A 97 0.280 16.981 -2.858 1.00 25.34 O ATOM 1633 CB LEU A 97 -0.492 14.348 -1.049 1.00 45.40 C ATOM 1634 CG LEU A 97 -0.611 12.790 -1.290 1.00 73.11 C ATOM 1635 CD1 LEU A 97 0.619 11.981 -0.831 1.00 14.23 C ATOM 1636 CD2 LEU A 97 -1.883 12.237 -0.610 1.00 20.13 C ATOM 0 H LEU A 97 1.436 14.408 0.453 1.00 14.13 H new ATOM 0 HA LEU A 97 1.237 14.626 -2.373 1.00 75.11 H new ATOM 0 HB2 LEU A 97 -0.661 14.534 0.012 1.00 45.40 H new ATOM 0 HB3 LEU A 97 -1.305 14.831 -1.591 1.00 45.40 H new ATOM 0 HG LEU A 97 -0.671 12.665 -2.371 1.00 73.11 H new ATOM 0 HD11 LEU A 97 0.454 10.923 -1.033 1.00 14.23 H new ATOM 0 HD12 LEU A 97 1.501 12.321 -1.374 1.00 14.23 H new ATOM 0 HD13 LEU A 97 0.772 12.127 0.238 1.00 14.23 H new ATOM 0 HD21 LEU A 97 -1.951 11.163 -0.785 1.00 20.13 H new ATOM 0 HD22 LEU A 97 -1.835 12.428 0.462 1.00 20.13 H new ATOM 0 HD23 LEU A 97 -2.762 12.729 -1.027 1.00 20.13 H new ATOM 1648 N LYS A 98 0.743 17.381 -0.668 1.00 1.04 N ATOM 1649 CA LYS A 98 0.526 18.848 -0.682 1.00 72.41 C ATOM 1650 C LYS A 98 1.811 19.623 -1.061 1.00 54.35 C ATOM 1651 O LYS A 98 1.728 20.686 -1.695 1.00 61.14 O ATOM 1652 CB LYS A 98 -0.010 19.331 0.697 1.00 64.13 C ATOM 1653 CG LYS A 98 -1.316 18.643 1.207 1.00 52.02 C ATOM 1654 CD LYS A 98 -2.630 19.100 0.498 1.00 52.11 C ATOM 1655 CE LYS A 98 -2.847 18.487 -0.904 1.00 45.34 C ATOM 1656 NZ LYS A 98 -2.992 17.003 -0.872 1.00 64.51 N ATOM 0 H LYS A 98 1.015 17.027 0.249 1.00 1.04 H new ATOM 0 HA LYS A 98 -0.219 19.058 -1.449 1.00 72.41 H new ATOM 0 HB2 LYS A 98 0.771 19.178 1.441 1.00 64.13 H new ATOM 0 HB3 LYS A 98 -0.188 20.405 0.639 1.00 64.13 H new ATOM 0 HG2 LYS A 98 -1.212 17.565 1.083 1.00 52.02 H new ATOM 0 HG3 LYS A 98 -1.414 18.833 2.276 1.00 52.02 H new ATOM 0 HD2 LYS A 98 -3.479 18.839 1.130 1.00 52.11 H new ATOM 0 HD3 LYS A 98 -2.621 20.186 0.409 1.00 52.11 H new ATOM 0 HE2 LYS A 98 -3.739 18.925 -1.352 1.00 45.34 H new ATOM 0 HE3 LYS A 98 -2.006 18.751 -1.545 1.00 45.34 H new ATOM 0 HZ1 LYS A 98 -2.317 16.574 -1.537 1.00 64.51 H new ATOM 0 HZ2 LYS A 98 -2.799 16.656 0.089 1.00 64.51 H new ATOM 0 HZ3 LYS A 98 -3.961 16.743 -1.146 1.00 64.51 H new ATOM 1670 N LYS A 99 2.987 19.096 -0.639 1.00 43.14 N ATOM 1671 CA LYS A 99 4.303 19.761 -0.854 1.00 71.24 C ATOM 1672 C LYS A 99 4.609 19.926 -2.351 1.00 15.10 C ATOM 1673 O LYS A 99 5.319 20.852 -2.757 1.00 54.20 O ATOM 1674 CB LYS A 99 5.454 18.986 -0.154 1.00 0.53 C ATOM 1675 CG LYS A 99 5.228 18.700 1.353 1.00 24.53 C ATOM 1676 CD LYS A 99 4.984 19.962 2.224 1.00 21.03 C ATOM 1677 CE LYS A 99 6.219 20.876 2.340 1.00 4.41 C ATOM 1678 NZ LYS A 99 7.400 20.180 2.909 1.00 54.15 N ATOM 0 H LYS A 99 3.054 18.207 -0.144 1.00 43.14 H new ATOM 0 HA LYS A 99 4.236 20.752 -0.405 1.00 71.24 H new ATOM 0 HB2 LYS A 99 5.600 18.037 -0.671 1.00 0.53 H new ATOM 0 HB3 LYS A 99 6.377 19.556 -0.266 1.00 0.53 H new ATOM 0 HG2 LYS A 99 4.373 18.032 1.458 1.00 24.53 H new ATOM 0 HG3 LYS A 99 6.097 18.169 1.742 1.00 24.53 H new ATOM 0 HD2 LYS A 99 4.158 20.533 1.800 1.00 21.03 H new ATOM 0 HD3 LYS A 99 4.677 19.651 3.222 1.00 21.03 H new ATOM 0 HE2 LYS A 99 6.472 21.263 1.353 1.00 4.41 H new ATOM 0 HE3 LYS A 99 5.973 21.734 2.966 1.00 4.41 H new ATOM 0 HZ1 LYS A 99 8.150 20.873 3.106 1.00 54.15 H new ATOM 0 HZ2 LYS A 99 7.129 19.702 3.792 1.00 54.15 H new ATOM 0 HZ3 LYS A 99 7.750 19.476 2.228 1.00 54.15 H new ATOM 1692 N LYS A 100 4.077 18.996 -3.157 1.00 11.05 N ATOM 1693 CA LYS A 100 4.035 19.106 -4.623 1.00 4.41 C ATOM 1694 C LYS A 100 2.559 19.104 -5.035 1.00 53.21 C ATOM 1695 O LYS A 100 2.038 18.095 -5.512 1.00 1.32 O ATOM 1696 CB LYS A 100 4.816 17.948 -5.332 1.00 24.43 C ATOM 1697 CG LYS A 100 6.360 17.936 -5.144 1.00 75.04 C ATOM 1698 CD LYS A 100 6.825 17.402 -3.772 1.00 64.43 C ATOM 1699 CE LYS A 100 6.447 15.930 -3.542 1.00 64.40 C ATOM 1700 NZ LYS A 100 6.984 15.439 -2.253 1.00 33.11 N ATOM 0 H LYS A 100 3.658 18.135 -2.805 1.00 11.05 H new ATOM 0 HA LYS A 100 4.528 20.027 -4.934 1.00 4.41 H new ATOM 0 HB2 LYS A 100 4.421 16.999 -4.971 1.00 24.43 H new ATOM 0 HB3 LYS A 100 4.603 17.996 -6.400 1.00 24.43 H new ATOM 0 HG2 LYS A 100 6.806 17.326 -5.929 1.00 75.04 H new ATOM 0 HG3 LYS A 100 6.739 18.950 -5.274 1.00 75.04 H new ATOM 0 HD2 LYS A 100 7.907 17.510 -3.694 1.00 64.43 H new ATOM 0 HD3 LYS A 100 6.386 18.012 -2.983 1.00 64.43 H new ATOM 0 HE2 LYS A 100 5.362 15.824 -3.552 1.00 64.40 H new ATOM 0 HE3 LYS A 100 6.835 15.320 -4.358 1.00 64.40 H new ATOM 0 HZ1 LYS A 100 6.552 14.521 -2.024 1.00 33.11 H new ATOM 0 HZ2 LYS A 100 8.015 15.328 -2.326 1.00 33.11 H new ATOM 0 HZ3 LYS A 100 6.762 16.123 -1.501 1.00 33.11 H new ATOM 1714 N GLY A 101 1.871 20.230 -4.778 1.00 73.14 N ATOM 1715 CA GLY A 101 0.421 20.331 -4.984 1.00 44.22 C ATOM 1716 C GLY A 101 0.047 21.236 -6.149 1.00 73.41 C ATOM 1717 O GLY A 101 -0.115 20.777 -7.288 1.00 14.30 O ATOM 0 H GLY A 101 2.301 21.085 -4.426 1.00 73.14 H new ATOM 0 HA2 GLY A 101 0.014 19.335 -5.160 1.00 44.22 H new ATOM 0 HA3 GLY A 101 -0.044 20.709 -4.074 1.00 44.22 H new ATOM 1721 N SER A 102 -0.030 22.546 -5.866 1.00 21.03 N ATOM 1722 CA SER A 102 -0.585 23.559 -6.786 1.00 22.51 C ATOM 1723 C SER A 102 0.380 23.944 -7.930 1.00 52.32 C ATOM 1724 O SER A 102 0.052 24.816 -8.733 1.00 44.42 O ATOM 1725 CB SER A 102 -0.993 24.805 -5.965 1.00 71.32 C ATOM 1726 OG SER A 102 0.092 25.288 -5.184 1.00 42.22 O ATOM 0 H SER A 102 0.294 22.939 -4.982 1.00 21.03 H new ATOM 0 HA SER A 102 -1.456 23.123 -7.275 1.00 22.51 H new ATOM 0 HB2 SER A 102 -1.337 25.590 -6.638 1.00 71.32 H new ATOM 0 HB3 SER A 102 -1.830 24.555 -5.313 1.00 71.32 H new ATOM 0 HG SER A 102 -0.195 26.076 -4.678 1.00 42.22 H new ATOM 1732 N LEU A 103 1.558 23.290 -8.010 1.00 52.14 N ATOM 1733 CA LEU A 103 2.521 23.519 -9.110 1.00 2.22 C ATOM 1734 C LEU A 103 1.994 22.808 -10.382 1.00 42.41 C ATOM 1735 O LEU A 103 1.412 23.439 -11.270 1.00 52.43 O ATOM 1736 CB LEU A 103 3.953 23.024 -8.694 1.00 4.25 C ATOM 1737 CG LEU A 103 5.202 23.690 -9.397 1.00 11.24 C ATOM 1738 CD1 LEU A 103 6.525 23.175 -8.782 1.00 62.25 C ATOM 1739 CD2 LEU A 103 5.209 23.503 -10.937 1.00 30.33 C ATOM 0 H LEU A 103 1.866 22.599 -7.326 1.00 52.14 H new ATOM 0 HA LEU A 103 2.612 24.584 -9.325 1.00 2.22 H new ATOM 0 HB2 LEU A 103 4.058 23.170 -7.619 1.00 4.25 H new ATOM 0 HB3 LEU A 103 4.001 21.950 -8.876 1.00 4.25 H new ATOM 0 HG LEU A 103 5.117 24.761 -9.213 1.00 11.24 H new ATOM 0 HD11 LEU A 103 7.368 23.649 -9.284 1.00 62.25 H new ATOM 0 HD12 LEU A 103 6.551 23.418 -7.720 1.00 62.25 H new ATOM 0 HD13 LEU A 103 6.589 22.094 -8.908 1.00 62.25 H new ATOM 0 HD21 LEU A 103 6.092 23.983 -11.358 1.00 30.33 H new ATOM 0 HD22 LEU A 103 5.227 22.439 -11.174 1.00 30.33 H new ATOM 0 HD23 LEU A 103 4.313 23.955 -11.362 1.00 30.33 H new ATOM 1751 N GLU A 104 2.165 21.478 -10.420 1.00 62.20 N ATOM 1752 CA GLU A 104 1.781 20.623 -11.562 1.00 24.31 C ATOM 1753 C GLU A 104 0.568 19.759 -11.168 1.00 4.03 C ATOM 1754 O GLU A 104 0.641 18.527 -11.080 1.00 75.55 O ATOM 1755 CB GLU A 104 3.018 19.780 -12.060 1.00 12.03 C ATOM 1756 CG GLU A 104 4.038 19.327 -10.975 1.00 24.24 C ATOM 1757 CD GLU A 104 3.429 18.478 -9.844 1.00 50.55 C ATOM 1758 OE1 GLU A 104 3.216 17.258 -10.047 1.00 13.32 O ATOM 1759 OE2 GLU A 104 3.127 19.029 -8.754 1.00 20.03 O ATOM 0 H GLU A 104 2.580 20.955 -9.649 1.00 62.20 H new ATOM 0 HA GLU A 104 1.476 21.237 -12.410 1.00 24.31 H new ATOM 0 HB2 GLU A 104 2.642 18.891 -12.566 1.00 12.03 H new ATOM 0 HB3 GLU A 104 3.553 20.369 -12.805 1.00 12.03 H new ATOM 0 HG2 GLU A 104 4.831 18.754 -11.456 1.00 24.24 H new ATOM 0 HG3 GLU A 104 4.503 20.211 -10.539 1.00 24.24 H new ATOM 1766 N HIS A 105 -0.555 20.433 -10.892 1.00 34.51 N ATOM 1767 CA HIS A 105 -1.801 19.777 -10.460 1.00 32.44 C ATOM 1768 C HIS A 105 -2.552 19.150 -11.665 1.00 11.40 C ATOM 1769 O HIS A 105 -3.497 19.729 -12.209 1.00 4.22 O ATOM 1770 CB HIS A 105 -2.693 20.758 -9.641 1.00 60.24 C ATOM 1771 CG HIS A 105 -2.977 22.081 -10.315 1.00 74.31 C ATOM 1772 ND1 HIS A 105 -4.019 22.287 -11.195 1.00 31.44 N ATOM 1773 CD2 HIS A 105 -2.347 23.278 -10.218 1.00 32.11 C ATOM 1774 CE1 HIS A 105 -4.012 23.539 -11.600 1.00 3.44 C ATOM 1775 NE2 HIS A 105 -3.007 24.158 -11.024 1.00 14.32 N ATOM 0 H HIS A 105 -0.628 21.448 -10.961 1.00 34.51 H new ATOM 0 HA HIS A 105 -1.543 18.954 -9.793 1.00 32.44 H new ATOM 0 HB2 HIS A 105 -3.642 20.267 -9.424 1.00 60.24 H new ATOM 0 HB3 HIS A 105 -2.209 20.952 -8.684 1.00 60.24 H new ATOM 0 HD1 HIS A 105 -4.692 21.578 -11.487 1.00 31.44 H new ATOM 0 HD2 HIS A 105 -1.480 23.495 -9.612 1.00 32.11 H new ATOM 0 HE1 HIS A 105 -4.714 23.983 -12.290 1.00 3.44 H new ATOM 1784 N HIS A 106 -2.077 17.961 -12.103 1.00 33.30 N ATOM 1785 CA HIS A 106 -2.768 17.128 -13.115 1.00 60.53 C ATOM 1786 C HIS A 106 -3.908 16.324 -12.434 1.00 24.41 C ATOM 1787 O HIS A 106 -4.598 15.530 -13.078 1.00 54.53 O ATOM 1788 CB HIS A 106 -1.755 16.188 -13.831 1.00 54.33 C ATOM 1789 CG HIS A 106 -2.276 15.558 -15.101 1.00 12.12 C ATOM 1790 ND1 HIS A 106 -2.883 14.316 -15.146 1.00 25.33 N ATOM 1791 CD2 HIS A 106 -2.295 16.021 -16.376 1.00 71.40 C ATOM 1792 CE1 HIS A 106 -3.242 14.051 -16.387 1.00 24.43 C ATOM 1793 NE2 HIS A 106 -2.903 15.065 -17.150 1.00 33.31 N ATOM 0 H HIS A 106 -1.205 17.553 -11.766 1.00 33.30 H new ATOM 0 HA HIS A 106 -3.208 17.772 -13.876 1.00 60.53 H new ATOM 0 HB2 HIS A 106 -0.854 16.756 -14.065 1.00 54.33 H new ATOM 0 HB3 HIS A 106 -1.463 15.396 -13.141 1.00 54.33 H new ATOM 0 HD2 HIS A 106 -1.904 16.968 -16.719 1.00 71.40 H new ATOM 0 HE1 HIS A 106 -3.734 13.149 -16.721 1.00 24.43 H new ATOM 0 HE2 HIS A 106 -3.065 15.131 -18.155 1.00 33.31 H new ATOM 1802 N HIS A 107 -4.018 16.510 -11.100 1.00 11.25 N ATOM 1803 CA HIS A 107 -5.195 16.184 -10.274 1.00 11.34 C ATOM 1804 C HIS A 107 -6.487 16.579 -11.038 1.00 44.33 C ATOM 1805 O HIS A 107 -6.756 17.768 -11.223 1.00 44.55 O ATOM 1806 CB HIS A 107 -5.038 16.971 -8.936 1.00 73.25 C ATOM 1807 CG HIS A 107 -6.072 16.736 -7.864 1.00 31.10 C ATOM 1808 ND1 HIS A 107 -5.767 16.154 -6.650 1.00 0.14 N ATOM 1809 CD2 HIS A 107 -7.375 17.094 -7.779 1.00 65.41 C ATOM 1810 CE1 HIS A 107 -6.824 16.182 -5.875 1.00 24.14 C ATOM 1811 NE2 HIS A 107 -7.813 16.742 -6.533 1.00 23.00 N ATOM 0 H HIS A 107 -3.257 16.908 -10.550 1.00 11.25 H new ATOM 0 HA HIS A 107 -5.267 15.117 -10.062 1.00 11.34 H new ATOM 0 HB2 HIS A 107 -4.060 16.732 -8.518 1.00 73.25 H new ATOM 0 HB3 HIS A 107 -5.033 18.035 -9.171 1.00 73.25 H new ATOM 0 HD2 HIS A 107 -7.960 17.570 -8.552 1.00 65.41 H new ATOM 0 HE1 HIS A 107 -6.873 15.807 -4.863 1.00 24.14 H new ATOM 0 HE2 HIS A 107 -8.756 16.890 -6.173 1.00 23.00 H new ATOM 1820 N HIS A 108 -7.246 15.558 -11.485 1.00 52.35 N ATOM 1821 CA HIS A 108 -8.306 15.708 -12.517 1.00 62.21 C ATOM 1822 C HIS A 108 -9.454 16.656 -12.095 1.00 14.31 C ATOM 1823 O HIS A 108 -10.159 17.180 -12.969 1.00 25.33 O ATOM 1824 CB HIS A 108 -8.862 14.325 -12.919 1.00 41.42 C ATOM 1825 CG HIS A 108 -7.829 13.376 -13.472 1.00 21.23 C ATOM 1826 ND1 HIS A 108 -7.574 12.137 -12.926 1.00 11.23 N ATOM 1827 CD2 HIS A 108 -6.997 13.486 -14.536 1.00 50.32 C ATOM 1828 CE1 HIS A 108 -6.638 11.534 -13.625 1.00 44.10 C ATOM 1829 NE2 HIS A 108 -6.274 12.327 -14.610 1.00 53.44 N ATOM 0 H HIS A 108 -7.145 14.602 -11.143 1.00 52.35 H new ATOM 0 HA HIS A 108 -7.831 16.177 -13.379 1.00 62.21 H new ATOM 0 HB2 HIS A 108 -9.329 13.867 -12.047 1.00 41.42 H new ATOM 0 HB3 HIS A 108 -9.646 14.464 -13.664 1.00 41.42 H new ATOM 0 HD2 HIS A 108 -6.919 14.332 -15.202 1.00 50.32 H new ATOM 0 HE1 HIS A 108 -6.235 10.552 -13.424 1.00 44.10 H new ATOM 0 HE2 HIS A 108 -5.568 12.112 -15.314 1.00 53.44 H new ATOM 1838 N HIS A 109 -9.627 16.837 -10.762 1.00 65.02 N ATOM 1839 CA HIS A 109 -10.571 17.811 -10.163 1.00 71.02 C ATOM 1840 C HIS A 109 -12.053 17.423 -10.396 1.00 42.13 C ATOM 1841 O HIS A 109 -12.515 17.353 -11.540 1.00 25.42 O ATOM 1842 CB HIS A 109 -10.295 19.261 -10.670 1.00 34.12 C ATOM 1843 CG HIS A 109 -11.279 20.295 -10.187 1.00 74.30 C ATOM 1844 ND1 HIS A 109 -12.316 20.766 -10.962 1.00 35.23 N ATOM 1845 CD2 HIS A 109 -11.396 20.928 -8.998 1.00 13.31 C ATOM 1846 CE1 HIS A 109 -13.018 21.637 -10.278 1.00 45.42 C ATOM 1847 NE2 HIS A 109 -12.484 21.752 -9.085 1.00 73.43 N ATOM 0 H HIS A 109 -9.108 16.303 -10.065 1.00 65.02 H new ATOM 0 HA HIS A 109 -10.396 17.784 -9.087 1.00 71.02 H new ATOM 0 HB2 HIS A 109 -9.294 19.557 -10.356 1.00 34.12 H new ATOM 0 HB3 HIS A 109 -10.299 19.257 -11.760 1.00 34.12 H new ATOM 0 HD2 HIS A 109 -10.751 20.806 -8.140 1.00 13.31 H new ATOM 0 HE1 HIS A 109 -13.887 22.169 -10.636 1.00 45.42 H new ATOM 0 HE2 HIS A 109 -12.826 22.360 -8.341 1.00 73.43 H new ATOM 1856 N HIS A 110 -12.789 17.204 -9.291 1.00 23.40 N ATOM 1857 CA HIS A 110 -14.235 16.932 -9.306 1.00 25.40 C ATOM 1858 C HIS A 110 -14.902 17.658 -8.112 1.00 64.11 C ATOM 1859 O HIS A 110 -14.894 17.124 -6.981 1.00 43.25 O ATOM 1860 CB HIS A 110 -14.531 15.397 -9.317 1.00 24.51 C ATOM 1861 CG HIS A 110 -13.699 14.571 -8.359 1.00 32.40 C ATOM 1862 ND1 HIS A 110 -14.075 14.307 -7.061 1.00 73.32 N ATOM 1863 CD2 HIS A 110 -12.512 13.935 -8.531 1.00 55.34 C ATOM 1864 CE1 HIS A 110 -13.164 13.554 -6.482 1.00 21.35 C ATOM 1865 NE2 HIS A 110 -12.205 13.315 -7.347 1.00 13.23 N ATOM 1866 OXT HIS A 110 -15.401 18.788 -8.300 1.00 39.75 O ATOM 0 H HIS A 110 -12.390 17.211 -8.352 1.00 23.40 H new ATOM 0 HA HIS A 110 -14.667 17.323 -10.228 1.00 25.40 H new ATOM 0 HB2 HIS A 110 -15.584 15.245 -9.081 1.00 24.51 H new ATOM 0 HB3 HIS A 110 -14.373 15.020 -10.328 1.00 24.51 H new ATOM 0 HD2 HIS A 110 -11.919 13.920 -9.434 1.00 55.34 H new ATOM 0 HE1 HIS A 110 -13.199 13.193 -5.465 1.00 21.35 H new ATOM 0 HE2 HIS A 110 -11.369 12.759 -7.167 1.00 13.23 H new TER 1875 HIS A 110