USER MOD reduce.3.24.130724 H: found=0, std=0, add=620, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 620 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 89 ASN : amide:sc= 0.343 K(o=0.69,f=0.15) USER MOD Set 1.2: A 98 THR OG1 : rot 180:sc= 0.345 USER MOD Set 2.1: A 60 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 63 THR OG1 : rot 106:sc= 0.68 USER MOD Set 3.1: A 27 LYS NZ :NH3+ 180:sc= 1.04 (180deg=1.04) USER MOD Set 3.2: A 104 ASN : amide:sc= -0.792! C(o=0.25!,f=-0.89!) USER MOD Single : A 29 TYR OH : rot 30:sc= -0.0361 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 MET CE :methyl -164:sc= -0.573 (180deg=-1.5) USER MOD Single : A 34 LYS NZ :NH3+ -123:sc= 0.787 (180deg=-3.41!) USER MOD Single : A 35 ASN : amide:sc= -0.666 X(o=-0.67,f=-0.36) USER MOD Single : A 40 CYS SG : rot -11:sc= -0.15 USER MOD Single : A 41 SER OG : rot 79:sc= 0.47 USER MOD Single : A 43 GLN : amide:sc= 1.2 K(o=1.2,f=-0.035) USER MOD Single : A 46 LYS NZ :NH3+ -163:sc= 2.09 (180deg=1.49) USER MOD Single : A 52 ASN : amide:sc= -0.425 X(o=-0.42,f=0) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot -41:sc= -0.382 USER MOD Single : A 57 THR OG1 : rot 146:sc= 1.03 USER MOD Single : A 59 SER OG : rot 180:sc= 0.0348 USER MOD Single : A 62 ASN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 69 THR OG1 : rot -62:sc= 1.23 USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 88 ASN : amide:sc= 0.493 K(o=0.49,f=-5.3!) USER MOD Single : A 95 SER OG : rot 160:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 25 9.626 14.287 6.562 1.00 0.00 N ATOM 2 CA PRO A 25 10.054 15.579 5.980 1.00 0.00 C ATOM 3 C PRO A 25 8.893 16.584 5.847 1.00 0.00 C ATOM 4 O PRO A 25 8.326 16.977 6.868 1.00 0.00 O ATOM 5 CB PRO A 25 10.791 15.224 4.677 1.00 0.00 C ATOM 6 CG PRO A 25 11.570 13.980 5.110 1.00 0.00 C ATOM 7 CD PRO A 25 10.696 13.329 6.189 1.00 0.00 C ATOM 0 HA PRO A 25 10.735 16.125 6.633 1.00 0.00 H new ATOM 0 HB2 PRO A 25 10.103 15.015 3.858 1.00 0.00 H new ATOM 0 HB3 PRO A 25 11.449 16.027 4.344 1.00 0.00 H new ATOM 0 HG2 PRO A 25 11.733 13.303 4.271 1.00 0.00 H new ATOM 0 HG3 PRO A 25 12.552 14.244 5.502 1.00 0.00 H new ATOM 0 HD2 PRO A 25 10.262 12.401 5.817 1.00 0.00 H new ATOM 0 HD3 PRO A 25 11.297 13.073 7.061 1.00 0.00 H new ATOM 15 N ALA A 26 8.498 16.967 4.623 1.00 0.00 N ATOM 16 CA ALA A 26 7.292 17.761 4.342 1.00 0.00 C ATOM 17 C ALA A 26 6.003 17.116 4.907 1.00 0.00 C ATOM 18 O ALA A 26 5.078 17.810 5.340 1.00 0.00 O ATOM 19 CB ALA A 26 7.212 17.944 2.822 1.00 0.00 C ATOM 0 H ALA A 26 9.021 16.727 3.781 1.00 0.00 H new ATOM 0 HA ALA A 26 7.367 18.726 4.844 1.00 0.00 H new ATOM 0 HB1 ALA A 26 6.328 18.530 2.572 1.00 0.00 H new ATOM 0 HB2 ALA A 26 8.103 18.464 2.471 1.00 0.00 H new ATOM 0 HB3 ALA A 26 7.148 16.968 2.341 1.00 0.00 H new ATOM 25 N LYS A 27 5.991 15.779 4.954 1.00 0.00 N ATOM 26 CA LYS A 27 5.020 14.899 5.620 1.00 0.00 C ATOM 27 C LYS A 27 5.737 13.679 6.204 1.00 0.00 C ATOM 28 O LYS A 27 6.930 13.453 5.983 1.00 0.00 O ATOM 29 CB LYS A 27 3.965 14.430 4.583 1.00 0.00 C ATOM 30 CG LYS A 27 2.517 14.781 4.943 1.00 0.00 C ATOM 31 CD LYS A 27 1.934 13.942 6.090 1.00 0.00 C ATOM 32 CE LYS A 27 0.405 13.846 6.061 1.00 0.00 C ATOM 33 NZ LYS A 27 -0.267 15.168 6.140 1.00 0.00 N ATOM 0 H LYS A 27 6.720 15.238 4.489 1.00 0.00 H new ATOM 0 HA LYS A 27 4.530 15.445 6.427 1.00 0.00 H new ATOM 0 HB2 LYS A 27 4.203 14.873 3.616 1.00 0.00 H new ATOM 0 HB3 LYS A 27 4.045 13.349 4.466 1.00 0.00 H new ATOM 0 HG2 LYS A 27 2.467 15.835 5.217 1.00 0.00 H new ATOM 0 HG3 LYS A 27 1.893 14.652 4.059 1.00 0.00 H new ATOM 0 HD2 LYS A 27 2.354 12.937 6.045 1.00 0.00 H new ATOM 0 HD3 LYS A 27 2.245 14.375 7.041 1.00 0.00 H new ATOM 0 HE2 LYS A 27 0.097 13.343 5.144 1.00 0.00 H new ATOM 0 HE3 LYS A 27 0.071 13.226 6.893 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -1.298 15.035 6.116 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 0.001 15.641 7.027 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 0.025 15.755 5.333 1.00 0.00 H new ATOM 47 N ARG A 28 4.964 12.909 6.955 1.00 0.00 N ATOM 48 CA ARG A 28 5.153 11.536 7.383 1.00 0.00 C ATOM 49 C ARG A 28 3.772 10.982 7.703 1.00 0.00 C ATOM 50 O ARG A 28 3.046 11.547 8.523 1.00 0.00 O ATOM 51 CB ARG A 28 6.105 11.433 8.578 1.00 0.00 C ATOM 52 CG ARG A 28 7.287 10.613 8.083 1.00 0.00 C ATOM 53 CD ARG A 28 8.327 10.393 9.180 1.00 0.00 C ATOM 54 NE ARG A 28 9.095 9.160 8.915 1.00 0.00 N ATOM 55 CZ ARG A 28 10.025 8.605 9.662 1.00 0.00 C ATOM 56 NH1 ARG A 28 10.491 9.166 10.742 1.00 0.00 N ATOM 57 NH2 ARG A 28 10.485 7.442 9.315 1.00 0.00 N ATOM 0 H ARG A 28 4.086 13.278 7.320 1.00 0.00 H new ATOM 0 HA ARG A 28 5.625 10.951 6.594 1.00 0.00 H new ATOM 0 HB2 ARG A 28 6.424 12.420 8.912 1.00 0.00 H new ATOM 0 HB3 ARG A 28 5.620 10.950 9.426 1.00 0.00 H new ATOM 0 HG2 ARG A 28 6.933 9.648 7.720 1.00 0.00 H new ATOM 0 HG3 ARG A 28 7.752 11.120 7.238 1.00 0.00 H new ATOM 0 HD2 ARG A 28 9.002 11.247 9.228 1.00 0.00 H new ATOM 0 HD3 ARG A 28 7.834 10.322 10.150 1.00 0.00 H new ATOM 0 HE ARG A 28 8.877 8.678 8.043 1.00 0.00 H new ATOM 0 HH11 ARG A 28 10.134 10.074 11.040 1.00 0.00 H new ATOM 0 HH12 ARG A 28 11.213 8.697 11.290 1.00 0.00 H new ATOM 0 HH21 ARG A 28 10.125 6.980 8.480 1.00 0.00 H new ATOM 0 HH22 ARG A 28 11.206 6.990 9.877 1.00 0.00 H new ATOM 71 N TYR A 29 3.405 9.922 7.004 1.00 0.00 N ATOM 72 CA TYR A 29 2.127 9.233 7.134 1.00 0.00 C ATOM 73 C TYR A 29 2.362 7.726 7.170 1.00 0.00 C ATOM 74 O TYR A 29 3.439 7.236 6.821 1.00 0.00 O ATOM 75 CB TYR A 29 1.197 9.617 5.967 1.00 0.00 C ATOM 76 CG TYR A 29 1.592 9.021 4.632 1.00 0.00 C ATOM 77 CD1 TYR A 29 1.281 7.669 4.371 1.00 0.00 C ATOM 78 CD2 TYR A 29 2.233 9.796 3.644 1.00 0.00 C ATOM 79 CE1 TYR A 29 1.660 7.052 3.169 1.00 0.00 C ATOM 80 CE2 TYR A 29 2.508 9.204 2.399 1.00 0.00 C ATOM 81 CZ TYR A 29 2.250 7.830 2.168 1.00 0.00 C ATOM 82 OH TYR A 29 2.478 7.255 0.958 1.00 0.00 O ATOM 0 H TYR A 29 4.011 9.499 6.302 1.00 0.00 H new ATOM 0 HA TYR A 29 1.644 9.533 8.064 1.00 0.00 H new ATOM 0 HB2 TYR A 29 0.182 9.300 6.207 1.00 0.00 H new ATOM 0 HB3 TYR A 29 1.178 10.703 5.875 1.00 0.00 H new ATOM 0 HD1 TYR A 29 0.740 7.098 5.111 1.00 0.00 H new ATOM 0 HD2 TYR A 29 2.507 10.822 3.839 1.00 0.00 H new ATOM 0 HE1 TYR A 29 1.499 5.995 3.020 1.00 0.00 H new ATOM 0 HE2 TYR A 29 2.923 9.807 1.605 1.00 0.00 H new ATOM 0 HH TYR A 29 1.804 6.563 0.792 1.00 0.00 H new ATOM 92 N ARG A 30 1.311 6.984 7.499 1.00 0.00 N ATOM 93 CA ARG A 30 1.258 5.532 7.406 1.00 0.00 C ATOM 94 C ARG A 30 -0.107 5.117 6.851 1.00 0.00 C ATOM 95 O ARG A 30 -1.133 5.628 7.308 1.00 0.00 O ATOM 96 CB ARG A 30 1.593 5.003 8.811 1.00 0.00 C ATOM 97 CG ARG A 30 2.268 3.628 8.852 1.00 0.00 C ATOM 98 CD ARG A 30 1.350 2.434 8.569 1.00 0.00 C ATOM 99 NE ARG A 30 0.603 2.006 9.774 1.00 0.00 N ATOM 100 CZ ARG A 30 1.040 1.238 10.759 1.00 0.00 C ATOM 101 NH1 ARG A 30 2.262 0.784 10.813 1.00 0.00 N ATOM 102 NH2 ARG A 30 0.224 0.907 11.711 1.00 0.00 N ATOM 0 H ARG A 30 0.444 7.391 7.849 1.00 0.00 H new ATOM 0 HA ARG A 30 1.978 5.100 6.711 1.00 0.00 H new ATOM 0 HB2 ARG A 30 2.244 5.723 9.306 1.00 0.00 H new ATOM 0 HB3 ARG A 30 0.672 4.954 9.392 1.00 0.00 H new ATOM 0 HG2 ARG A 30 3.080 3.620 8.125 1.00 0.00 H new ATOM 0 HG3 ARG A 30 2.718 3.493 9.835 1.00 0.00 H new ATOM 0 HD2 ARG A 30 0.645 2.699 7.781 1.00 0.00 H new ATOM 0 HD3 ARG A 30 1.945 1.600 8.197 1.00 0.00 H new ATOM 0 HE ARG A 30 -0.357 2.341 9.854 1.00 0.00 H new ATOM 0 HH11 ARG A 30 2.926 1.018 10.075 1.00 0.00 H new ATOM 0 HH12 ARG A 30 2.553 0.195 11.593 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -0.741 1.238 11.694 1.00 0.00 H new ATOM 0 HH22 ARG A 30 0.547 0.316 12.477 1.00 0.00 H new ATOM 116 N ILE A 31 -0.130 4.218 5.863 1.00 0.00 N ATOM 117 CA ILE A 31 -1.376 3.617 5.348 1.00 0.00 C ATOM 118 C ILE A 31 -1.393 2.119 5.527 1.00 0.00 C ATOM 119 O ILE A 31 -0.362 1.479 5.400 1.00 0.00 O ATOM 120 CB ILE A 31 -1.693 3.923 3.863 1.00 0.00 C ATOM 121 CG1 ILE A 31 -0.671 3.370 2.853 1.00 0.00 C ATOM 122 CG2 ILE A 31 -1.883 5.415 3.635 1.00 0.00 C ATOM 123 CD1 ILE A 31 -1.192 3.322 1.423 1.00 0.00 C ATOM 0 H ILE A 31 0.711 3.883 5.394 1.00 0.00 H new ATOM 0 HA ILE A 31 -2.148 4.094 5.952 1.00 0.00 H new ATOM 0 HB ILE A 31 -2.625 3.391 3.671 1.00 0.00 H new ATOM 0 HG12 ILE A 31 0.227 3.987 2.883 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -0.378 2.365 3.158 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -2.104 5.597 2.583 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -2.710 5.774 4.247 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -0.971 5.944 3.911 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -0.419 2.922 0.767 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -2.073 2.682 1.378 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -1.458 4.328 1.099 1.00 0.00 H new ATOM 135 N THR A 32 -2.586 1.587 5.733 1.00 0.00 N ATOM 136 CA THR A 32 -2.951 0.165 5.747 1.00 0.00 C ATOM 137 C THR A 32 -3.423 -0.220 4.363 1.00 0.00 C ATOM 138 O THR A 32 -4.106 0.559 3.695 1.00 0.00 O ATOM 139 CB THR A 32 -4.050 -0.049 6.773 1.00 0.00 C ATOM 140 OG1 THR A 32 -3.480 0.182 8.051 1.00 0.00 O ATOM 141 CG2 THR A 32 -4.598 -1.471 6.827 1.00 0.00 C ATOM 0 H THR A 32 -3.396 2.180 5.910 1.00 0.00 H new ATOM 0 HA THR A 32 -2.097 -0.456 6.017 1.00 0.00 H new ATOM 0 HB THR A 32 -4.865 0.620 6.496 1.00 0.00 H new ATOM 0 HG1 THR A 32 -4.163 0.054 8.742 1.00 0.00 H new ATOM 0 HG21 THR A 32 -5.378 -1.532 7.586 1.00 0.00 H new ATOM 0 HG22 THR A 32 -5.016 -1.737 5.856 1.00 0.00 H new ATOM 0 HG23 THR A 32 -3.793 -2.162 7.077 1.00 0.00 H new ATOM 149 N MET A 33 -3.046 -1.430 3.952 1.00 0.00 N ATOM 150 CA MET A 33 -3.507 -2.091 2.738 1.00 0.00 C ATOM 151 C MET A 33 -3.763 -3.560 3.063 1.00 0.00 C ATOM 152 O MET A 33 -2.856 -4.324 3.389 1.00 0.00 O ATOM 153 CB MET A 33 -2.517 -1.911 1.585 1.00 0.00 C ATOM 154 CG MET A 33 -2.070 -0.455 1.390 1.00 0.00 C ATOM 155 SD MET A 33 -1.397 0.022 -0.220 1.00 0.00 S ATOM 156 CE MET A 33 -0.669 -1.548 -0.716 1.00 0.00 C ATOM 0 H MET A 33 -2.383 -1.998 4.480 1.00 0.00 H new ATOM 0 HA MET A 33 -4.436 -1.634 2.396 1.00 0.00 H new ATOM 0 HB2 MET A 33 -1.640 -2.532 1.768 1.00 0.00 H new ATOM 0 HB3 MET A 33 -2.975 -2.270 0.663 1.00 0.00 H new ATOM 0 HG2 MET A 33 -2.926 0.187 1.597 1.00 0.00 H new ATOM 0 HG3 MET A 33 -1.316 -0.234 2.145 1.00 0.00 H new ATOM 0 HE1 MET A 33 0.027 -1.383 -1.538 1.00 0.00 H new ATOM 0 HE2 MET A 33 -0.136 -1.985 0.129 1.00 0.00 H new ATOM 0 HE3 MET A 33 -1.457 -2.228 -1.039 1.00 0.00 H new ATOM 166 N LYS A 34 -5.037 -3.931 3.006 1.00 0.00 N ATOM 167 CA LYS A 34 -5.580 -5.099 3.697 1.00 0.00 C ATOM 168 C LYS A 34 -6.965 -5.433 3.203 1.00 0.00 C ATOM 169 O LYS A 34 -7.635 -4.497 2.765 1.00 0.00 O ATOM 170 CB LYS A 34 -5.780 -4.445 5.077 1.00 0.00 C ATOM 171 CG LYS A 34 -6.735 -4.975 6.131 1.00 0.00 C ATOM 172 CD LYS A 34 -8.161 -4.374 6.016 1.00 0.00 C ATOM 173 CE LYS A 34 -8.232 -2.870 6.360 1.00 0.00 C ATOM 174 NZ LYS A 34 -8.239 -2.012 5.142 1.00 0.00 N ATOM 0 H LYS A 34 -5.737 -3.420 2.468 1.00 0.00 H new ATOM 0 HA LYS A 34 -4.972 -5.999 3.611 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -4.796 -4.412 5.545 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -6.077 -3.414 4.886 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -6.796 -6.060 6.045 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -6.333 -4.756 7.120 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -8.527 -4.523 5.000 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -8.831 -4.921 6.680 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -9.131 -2.675 6.944 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -7.381 -2.602 6.986 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -7.445 -1.342 5.185 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -8.143 -2.609 4.296 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -9.134 -1.485 5.094 1.00 0.00 H new ATOM 188 N ASN A 35 -7.469 -6.657 3.366 1.00 0.00 N ATOM 189 CA ASN A 35 -8.915 -6.842 3.202 1.00 0.00 C ATOM 190 C ASN A 35 -9.512 -8.144 3.790 1.00 0.00 C ATOM 191 O ASN A 35 -10.264 -8.061 4.768 1.00 0.00 O ATOM 192 CB ASN A 35 -9.307 -6.530 1.737 1.00 0.00 C ATOM 193 CG ASN A 35 -10.276 -7.487 1.084 1.00 0.00 C ATOM 194 OD1 ASN A 35 -11.485 -7.416 1.241 1.00 0.00 O ATOM 195 ND2 ASN A 35 -9.751 -8.405 0.310 1.00 0.00 N ATOM 0 H ASN A 35 -6.935 -7.494 3.599 1.00 0.00 H new ATOM 0 HA ASN A 35 -9.407 -6.114 3.847 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -9.740 -5.530 1.704 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -8.397 -6.503 1.138 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -10.354 -9.072 -0.171 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -8.739 -8.452 0.188 1.00 0.00 H new ATOM 202 N LEU A 36 -9.191 -9.325 3.251 1.00 0.00 N ATOM 203 CA LEU A 36 -9.591 -10.641 3.782 1.00 0.00 C ATOM 204 C LEU A 36 -8.574 -11.710 3.339 1.00 0.00 C ATOM 205 O LEU A 36 -8.100 -11.638 2.206 1.00 0.00 O ATOM 206 CB LEU A 36 -11.071 -10.980 3.458 1.00 0.00 C ATOM 207 CG LEU A 36 -11.392 -11.892 2.256 1.00 0.00 C ATOM 208 CD1 LEU A 36 -12.866 -12.297 2.305 1.00 0.00 C ATOM 209 CD2 LEU A 36 -11.159 -11.224 0.904 1.00 0.00 C ATOM 0 H LEU A 36 -8.627 -9.398 2.404 1.00 0.00 H new ATOM 0 HA LEU A 36 -9.563 -10.616 4.871 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -11.502 -11.444 4.345 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -11.596 -10.038 3.303 1.00 0.00 H new ATOM 0 HG LEU A 36 -10.719 -12.745 2.339 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -13.095 -12.942 1.456 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -13.065 -12.834 3.232 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -13.490 -11.404 2.261 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -11.405 -11.924 0.105 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -11.792 -10.341 0.821 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -10.113 -10.930 0.819 1.00 0.00 H new ATOM 221 N PRO A 37 -8.285 -12.724 4.178 1.00 0.00 N ATOM 222 CA PRO A 37 -7.149 -13.654 4.106 1.00 0.00 C ATOM 223 C PRO A 37 -6.219 -13.633 2.873 1.00 0.00 C ATOM 224 O PRO A 37 -6.110 -14.632 2.157 1.00 0.00 O ATOM 225 CB PRO A 37 -7.718 -15.021 4.486 1.00 0.00 C ATOM 226 CG PRO A 37 -8.704 -14.624 5.588 1.00 0.00 C ATOM 227 CD PRO A 37 -9.295 -13.315 5.053 1.00 0.00 C ATOM 0 HA PRO A 37 -6.389 -13.307 4.807 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -8.211 -15.511 3.647 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -6.948 -15.704 4.846 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -9.471 -15.384 5.738 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -8.205 -14.481 6.546 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -10.219 -13.503 4.506 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -9.541 -12.639 5.872 1.00 0.00 H new ATOM 235 N GLU A 38 -5.505 -12.516 2.656 1.00 0.00 N ATOM 236 CA GLU A 38 -4.546 -12.362 1.548 1.00 0.00 C ATOM 237 C GLU A 38 -3.086 -12.205 1.925 1.00 0.00 C ATOM 238 O GLU A 38 -2.221 -12.149 1.056 1.00 0.00 O ATOM 239 CB GLU A 38 -5.039 -11.407 0.452 1.00 0.00 C ATOM 240 CG GLU A 38 -4.950 -9.900 0.723 1.00 0.00 C ATOM 241 CD GLU A 38 -6.034 -9.374 1.677 1.00 0.00 C ATOM 242 OE1 GLU A 38 -7.139 -9.015 1.209 1.00 0.00 O ATOM 243 OE2 GLU A 38 -5.772 -9.270 2.903 1.00 0.00 O ATOM 0 H GLU A 38 -5.577 -11.689 3.248 1.00 0.00 H new ATOM 0 HA GLU A 38 -4.532 -13.352 1.091 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -4.473 -11.618 -0.455 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -6.081 -11.648 0.241 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -3.970 -9.673 1.142 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -5.023 -9.365 -0.224 1.00 0.00 H new ATOM 250 N GLY A 39 -2.844 -12.266 3.236 1.00 0.00 N ATOM 251 CA GLY A 39 -1.569 -12.436 3.907 1.00 0.00 C ATOM 252 C GLY A 39 -0.295 -12.032 3.154 1.00 0.00 C ATOM 253 O GLY A 39 0.628 -12.842 3.034 1.00 0.00 O ATOM 0 H GLY A 39 -3.608 -12.190 3.908 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -1.602 -11.866 4.835 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -1.475 -13.487 4.182 1.00 0.00 H new ATOM 257 N CYS A 40 -0.278 -10.816 2.597 1.00 0.00 N ATOM 258 CA CYS A 40 0.733 -10.363 1.639 1.00 0.00 C ATOM 259 C CYS A 40 2.198 -10.410 2.133 1.00 0.00 C ATOM 260 O CYS A 40 2.485 -10.503 3.334 1.00 0.00 O ATOM 261 CB CYS A 40 0.391 -8.944 1.138 1.00 0.00 C ATOM 262 SG CYS A 40 -1.355 -8.776 0.679 1.00 0.00 S ATOM 0 H CYS A 40 -0.981 -10.106 2.804 1.00 0.00 H new ATOM 0 HA CYS A 40 0.689 -11.089 0.827 1.00 0.00 H new ATOM 0 HB2 CYS A 40 0.631 -8.219 1.916 1.00 0.00 H new ATOM 0 HB3 CYS A 40 1.015 -8.705 0.277 1.00 0.00 H new ATOM 0 HG CYS A 40 -1.907 -9.952 0.635 1.00 0.00 H new ATOM 268 N SER A 41 3.123 -10.217 1.195 1.00 0.00 N ATOM 269 CA SER A 41 4.566 -10.009 1.410 1.00 0.00 C ATOM 270 C SER A 41 4.990 -8.642 0.854 1.00 0.00 C ATOM 271 O SER A 41 4.313 -8.088 -0.016 1.00 0.00 O ATOM 272 CB SER A 41 5.394 -11.104 0.715 1.00 0.00 C ATOM 273 OG SER A 41 4.780 -12.381 0.764 1.00 0.00 O ATOM 0 H SER A 41 2.878 -10.199 0.205 1.00 0.00 H new ATOM 0 HA SER A 41 4.750 -10.051 2.483 1.00 0.00 H new ATOM 0 HB2 SER A 41 5.554 -10.824 -0.326 1.00 0.00 H new ATOM 0 HB3 SER A 41 6.376 -11.161 1.184 1.00 0.00 H new ATOM 0 HG SER A 41 4.081 -12.434 0.079 1.00 0.00 H new ATOM 279 N TRP A 42 6.120 -8.075 1.300 1.00 0.00 N ATOM 280 CA TRP A 42 6.540 -6.770 0.757 1.00 0.00 C ATOM 281 C TRP A 42 6.840 -6.818 -0.725 1.00 0.00 C ATOM 282 O TRP A 42 6.472 -5.893 -1.448 1.00 0.00 O ATOM 283 CB TRP A 42 7.673 -6.110 1.549 1.00 0.00 C ATOM 284 CG TRP A 42 8.043 -4.710 1.128 1.00 0.00 C ATOM 285 CD1 TRP A 42 9.302 -4.214 1.101 1.00 0.00 C ATOM 286 CD2 TRP A 42 7.197 -3.633 0.591 1.00 0.00 C ATOM 287 NE1 TRP A 42 9.300 -2.935 0.579 1.00 0.00 N ATOM 288 CE2 TRP A 42 8.034 -2.542 0.202 1.00 0.00 C ATOM 289 CE3 TRP A 42 5.813 -3.474 0.345 1.00 0.00 C ATOM 290 CZ2 TRP A 42 7.532 -1.396 -0.436 1.00 0.00 C ATOM 291 CZ3 TRP A 42 5.305 -2.351 -0.316 1.00 0.00 C ATOM 292 CH2 TRP A 42 6.157 -1.311 -0.702 1.00 0.00 C ATOM 0 H TRP A 42 6.739 -8.476 2.005 1.00 0.00 H new ATOM 0 HA TRP A 42 5.671 -6.124 0.883 1.00 0.00 H new ATOM 0 HB2 TRP A 42 7.390 -6.089 2.601 1.00 0.00 H new ATOM 0 HB3 TRP A 42 8.560 -6.739 1.470 1.00 0.00 H new ATOM 0 HD1 TRP A 42 10.181 -4.742 1.439 1.00 0.00 H new ATOM 0 HE1 TRP A 42 10.133 -2.353 0.484 1.00 0.00 H new ATOM 0 HE3 TRP A 42 5.129 -4.241 0.677 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 8.195 -0.591 -0.718 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 4.248 -2.286 -0.530 1.00 0.00 H new ATOM 0 HH2 TRP A 42 5.757 -0.443 -1.205 1.00 0.00 H new ATOM 303 N GLN A 43 7.383 -7.926 -1.238 1.00 0.00 N ATOM 304 CA GLN A 43 7.582 -8.050 -2.682 1.00 0.00 C ATOM 305 C GLN A 43 6.290 -8.140 -3.497 1.00 0.00 C ATOM 306 O GLN A 43 6.246 -7.735 -4.668 1.00 0.00 O ATOM 307 CB GLN A 43 8.606 -9.153 -3.002 1.00 0.00 C ATOM 308 CG GLN A 43 8.050 -10.593 -2.994 1.00 0.00 C ATOM 309 CD GLN A 43 7.769 -11.122 -4.406 1.00 0.00 C ATOM 310 OE1 GLN A 43 8.654 -11.221 -5.252 1.00 0.00 O ATOM 311 NE2 GLN A 43 6.553 -11.496 -4.739 1.00 0.00 N ATOM 0 H GLN A 43 7.686 -8.731 -0.690 1.00 0.00 H new ATOM 0 HA GLN A 43 8.012 -7.107 -3.019 1.00 0.00 H new ATOM 0 HB2 GLN A 43 9.036 -8.953 -3.983 1.00 0.00 H new ATOM 0 HB3 GLN A 43 9.419 -9.091 -2.279 1.00 0.00 H new ATOM 0 HG2 GLN A 43 8.763 -11.252 -2.498 1.00 0.00 H new ATOM 0 HG3 GLN A 43 7.130 -10.621 -2.409 1.00 0.00 H new ATOM 0 HE21 GLN A 43 5.794 -11.427 -4.061 1.00 0.00 H new ATOM 0 HE22 GLN A 43 6.368 -11.855 -5.676 1.00 0.00 H new ATOM 320 N ASP A 44 5.214 -8.585 -2.860 1.00 0.00 N ATOM 321 CA ASP A 44 3.909 -8.691 -3.475 1.00 0.00 C ATOM 322 C ASP A 44 3.283 -7.298 -3.575 1.00 0.00 C ATOM 323 O ASP A 44 2.796 -6.876 -4.628 1.00 0.00 O ATOM 324 CB ASP A 44 3.020 -9.564 -2.590 1.00 0.00 C ATOM 325 CG ASP A 44 3.456 -11.020 -2.386 1.00 0.00 C ATOM 326 OD1 ASP A 44 4.263 -11.550 -3.184 1.00 0.00 O ATOM 327 OD2 ASP A 44 2.972 -11.633 -1.408 1.00 0.00 O ATOM 0 H ASP A 44 5.230 -8.886 -1.886 1.00 0.00 H new ATOM 0 HA ASP A 44 4.003 -9.128 -4.469 1.00 0.00 H new ATOM 0 HB2 ASP A 44 2.949 -9.091 -1.610 1.00 0.00 H new ATOM 0 HB3 ASP A 44 2.017 -9.567 -3.016 1.00 0.00 H new ATOM 332 N LEU A 45 3.325 -6.561 -2.462 1.00 0.00 N ATOM 333 CA LEU A 45 2.812 -5.208 -2.410 1.00 0.00 C ATOM 334 C LEU A 45 3.673 -4.213 -3.204 1.00 0.00 C ATOM 335 O LEU A 45 3.098 -3.286 -3.763 1.00 0.00 O ATOM 336 CB LEU A 45 2.588 -4.853 -0.948 1.00 0.00 C ATOM 337 CG LEU A 45 1.322 -5.495 -0.352 1.00 0.00 C ATOM 338 CD1 LEU A 45 1.151 -4.951 1.056 1.00 0.00 C ATOM 339 CD2 LEU A 45 0.028 -5.181 -1.107 1.00 0.00 C ATOM 0 H LEU A 45 3.716 -6.892 -1.580 1.00 0.00 H new ATOM 0 HA LEU A 45 1.852 -5.141 -2.921 1.00 0.00 H new ATOM 0 HB2 LEU A 45 3.455 -5.169 -0.368 1.00 0.00 H new ATOM 0 HB3 LEU A 45 2.518 -3.770 -0.851 1.00 0.00 H new ATOM 0 HG LEU A 45 1.471 -6.574 -0.403 1.00 0.00 H new ATOM 0 HD11 LEU A 45 0.260 -5.387 1.509 1.00 0.00 H new ATOM 0 HD12 LEU A 45 2.025 -5.208 1.654 1.00 0.00 H new ATOM 0 HD13 LEU A 45 1.045 -3.867 1.017 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -0.810 -5.675 -0.615 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -0.138 -4.104 -1.112 1.00 0.00 H new ATOM 0 HD23 LEU A 45 0.109 -5.540 -2.133 1.00 0.00 H new ATOM 351 N LYS A 46 4.994 -4.432 -3.329 1.00 0.00 N ATOM 352 CA LYS A 46 5.862 -3.745 -4.315 1.00 0.00 C ATOM 353 C LYS A 46 5.281 -3.989 -5.692 1.00 0.00 C ATOM 354 O LYS A 46 4.867 -3.040 -6.331 1.00 0.00 O ATOM 355 CB LYS A 46 7.305 -4.288 -4.274 1.00 0.00 C ATOM 356 CG LYS A 46 8.289 -3.508 -3.400 1.00 0.00 C ATOM 357 CD LYS A 46 8.822 -2.215 -4.047 1.00 0.00 C ATOM 358 CE LYS A 46 7.994 -0.975 -3.676 1.00 0.00 C ATOM 359 NZ LYS A 46 8.846 0.208 -3.379 1.00 0.00 N ATOM 0 H LYS A 46 5.499 -5.098 -2.744 1.00 0.00 H new ATOM 0 HA LYS A 46 5.899 -2.682 -4.078 1.00 0.00 H new ATOM 0 HB2 LYS A 46 7.275 -5.319 -3.921 1.00 0.00 H new ATOM 0 HB3 LYS A 46 7.693 -4.311 -5.292 1.00 0.00 H new ATOM 0 HG2 LYS A 46 7.800 -3.255 -2.459 1.00 0.00 H new ATOM 0 HG3 LYS A 46 9.133 -4.154 -3.157 1.00 0.00 H new ATOM 0 HD2 LYS A 46 9.856 -2.060 -3.739 1.00 0.00 H new ATOM 0 HD3 LYS A 46 8.826 -2.332 -5.131 1.00 0.00 H new ATOM 0 HE2 LYS A 46 7.317 -0.735 -4.496 1.00 0.00 H new ATOM 0 HE3 LYS A 46 7.375 -1.201 -2.807 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 8.286 0.919 -2.866 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 9.655 -0.085 -2.794 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 9.193 0.618 -4.269 1.00 0.00 H new ATOM 373 N ASP A 47 5.193 -5.243 -6.113 1.00 0.00 N ATOM 374 CA ASP A 47 4.668 -5.620 -7.431 1.00 0.00 C ATOM 375 C ASP A 47 3.395 -4.880 -7.779 1.00 0.00 C ATOM 376 O ASP A 47 3.420 -4.067 -8.705 1.00 0.00 O ATOM 377 CB ASP A 47 4.509 -7.142 -7.524 1.00 0.00 C ATOM 378 CG ASP A 47 3.704 -7.609 -8.736 1.00 0.00 C ATOM 379 OD1 ASP A 47 4.150 -7.413 -9.887 1.00 0.00 O ATOM 380 OD2 ASP A 47 2.616 -8.195 -8.546 1.00 0.00 O ATOM 0 H ASP A 47 5.485 -6.040 -5.548 1.00 0.00 H new ATOM 0 HA ASP A 47 5.395 -5.314 -8.183 1.00 0.00 H new ATOM 0 HB2 ASP A 47 5.498 -7.599 -7.559 1.00 0.00 H new ATOM 0 HB3 ASP A 47 4.023 -7.503 -6.617 1.00 0.00 H new ATOM 385 N LEU A 48 2.338 -5.051 -6.984 1.00 0.00 N ATOM 386 CA LEU A 48 1.111 -4.336 -7.277 1.00 0.00 C ATOM 387 C LEU A 48 1.343 -2.824 -7.291 1.00 0.00 C ATOM 388 O LEU A 48 0.919 -2.138 -8.220 1.00 0.00 O ATOM 389 CB LEU A 48 -0.053 -4.769 -6.376 1.00 0.00 C ATOM 390 CG LEU A 48 -1.380 -4.002 -6.594 1.00 0.00 C ATOM 391 CD1 LEU A 48 -2.533 -4.689 -5.880 1.00 0.00 C ATOM 392 CD2 LEU A 48 -1.368 -2.598 -6.040 1.00 0.00 C ATOM 0 H LEU A 48 2.310 -5.656 -6.163 1.00 0.00 H new ATOM 0 HA LEU A 48 0.802 -4.611 -8.285 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -0.237 -5.832 -6.534 1.00 0.00 H new ATOM 0 HB3 LEU A 48 0.250 -4.649 -5.336 1.00 0.00 H new ATOM 0 HG LEU A 48 -1.498 -3.983 -7.677 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -3.452 -4.129 -6.050 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -2.649 -5.702 -6.266 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -2.326 -4.730 -4.811 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -2.331 -2.124 -6.230 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -1.186 -2.632 -4.966 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -0.578 -2.023 -6.523 1.00 0.00 H new ATOM 404 N ALA A 49 2.015 -2.265 -6.296 1.00 0.00 N ATOM 405 CA ALA A 49 2.253 -0.832 -6.250 1.00 0.00 C ATOM 406 C ALA A 49 2.932 -0.285 -7.509 1.00 0.00 C ATOM 407 O ALA A 49 2.615 0.824 -7.941 1.00 0.00 O ATOM 408 CB ALA A 49 3.091 -0.539 -5.024 1.00 0.00 C ATOM 0 H ALA A 49 2.405 -2.783 -5.509 1.00 0.00 H new ATOM 0 HA ALA A 49 1.288 -0.328 -6.199 1.00 0.00 H new ATOM 0 HB1 ALA A 49 3.286 0.532 -4.964 1.00 0.00 H new ATOM 0 HB2 ALA A 49 2.555 -0.861 -4.131 1.00 0.00 H new ATOM 0 HB3 ALA A 49 4.037 -1.076 -5.093 1.00 0.00 H new ATOM 414 N ARG A 50 3.813 -1.070 -8.144 1.00 0.00 N ATOM 415 CA ARG A 50 4.518 -0.674 -9.366 1.00 0.00 C ATOM 416 C ARG A 50 3.574 -0.785 -10.567 1.00 0.00 C ATOM 417 O ARG A 50 3.664 0.002 -11.506 1.00 0.00 O ATOM 418 CB ARG A 50 5.816 -1.470 -9.580 1.00 0.00 C ATOM 419 CG ARG A 50 6.701 -1.718 -8.340 1.00 0.00 C ATOM 420 CD ARG A 50 6.589 -0.793 -7.115 1.00 0.00 C ATOM 421 NE ARG A 50 6.791 0.627 -7.440 1.00 0.00 N ATOM 422 CZ ARG A 50 7.903 1.291 -7.650 1.00 0.00 C ATOM 423 NH1 ARG A 50 9.086 0.758 -7.589 1.00 0.00 N ATOM 424 NH2 ARG A 50 7.828 2.559 -7.900 1.00 0.00 N ATOM 0 H ARG A 50 4.057 -2.006 -7.819 1.00 0.00 H new ATOM 0 HA ARG A 50 4.824 0.366 -9.258 1.00 0.00 H new ATOM 0 HB2 ARG A 50 5.553 -2.438 -10.007 1.00 0.00 H new ATOM 0 HB3 ARG A 50 6.416 -0.946 -10.324 1.00 0.00 H new ATOM 0 HG2 ARG A 50 6.502 -2.734 -7.998 1.00 0.00 H new ATOM 0 HG3 ARG A 50 7.739 -1.691 -8.672 1.00 0.00 H new ATOM 0 HD2 ARG A 50 5.606 -0.919 -6.662 1.00 0.00 H new ATOM 0 HD3 ARG A 50 7.325 -1.097 -6.370 1.00 0.00 H new ATOM 0 HE ARG A 50 5.937 1.180 -7.513 1.00 0.00 H new ATOM 0 HH11 ARG A 50 9.188 -0.232 -7.367 1.00 0.00 H new ATOM 0 HH12 ARG A 50 9.913 1.330 -7.763 1.00 0.00 H new ATOM 0 HH21 ARG A 50 6.919 3.020 -7.930 1.00 0.00 H new ATOM 0 HH22 ARG A 50 8.678 3.097 -8.067 1.00 0.00 H new ATOM 438 N GLU A 51 2.617 -1.711 -10.475 1.00 0.00 N ATOM 439 CA GLU A 51 1.450 -1.783 -11.381 1.00 0.00 C ATOM 440 C GLU A 51 0.544 -0.555 -11.317 1.00 0.00 C ATOM 441 O GLU A 51 -0.127 -0.204 -12.295 1.00 0.00 O ATOM 442 CB GLU A 51 0.537 -2.995 -11.123 1.00 0.00 C ATOM 443 CG GLU A 51 1.252 -4.333 -11.242 1.00 0.00 C ATOM 444 CD GLU A 51 1.662 -4.677 -12.690 1.00 0.00 C ATOM 445 OE1 GLU A 51 2.638 -4.098 -13.222 1.00 0.00 O ATOM 446 OE2 GLU A 51 1.038 -5.587 -13.295 1.00 0.00 O ATOM 0 H GLU A 51 2.623 -2.443 -9.765 1.00 0.00 H new ATOM 0 HA GLU A 51 1.923 -1.861 -12.360 1.00 0.00 H new ATOM 0 HB2 GLU A 51 0.107 -2.910 -10.125 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -0.292 -2.972 -11.830 1.00 0.00 H new ATOM 0 HG2 GLU A 51 2.142 -4.319 -10.613 1.00 0.00 H new ATOM 0 HG3 GLU A 51 0.603 -5.120 -10.858 1.00 0.00 H new ATOM 453 N ASN A 52 0.542 0.092 -10.164 1.00 0.00 N ATOM 454 CA ASN A 52 -0.470 1.064 -9.786 1.00 0.00 C ATOM 455 C ASN A 52 -0.029 2.530 -9.607 1.00 0.00 C ATOM 456 O ASN A 52 -0.904 3.396 -9.572 1.00 0.00 O ATOM 457 CB ASN A 52 -1.056 0.466 -8.509 1.00 0.00 C ATOM 458 CG ASN A 52 -2.263 -0.403 -8.788 1.00 0.00 C ATOM 459 OD1 ASN A 52 -3.399 0.044 -8.842 1.00 0.00 O ATOM 460 ND2 ASN A 52 -2.051 -1.680 -8.959 1.00 0.00 N ATOM 0 H ASN A 52 1.258 -0.046 -9.450 1.00 0.00 H new ATOM 0 HA ASN A 52 -1.178 1.193 -10.605 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -0.293 -0.126 -8.003 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -1.338 1.270 -7.829 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -2.835 -2.308 -9.138 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -1.102 -2.050 -8.913 1.00 0.00 H new ATOM 467 N SER A 53 1.278 2.805 -9.502 1.00 0.00 N ATOM 468 CA SER A 53 1.989 4.108 -9.519 1.00 0.00 C ATOM 469 C SER A 53 2.553 4.508 -8.143 1.00 0.00 C ATOM 470 O SER A 53 3.055 5.624 -7.976 1.00 0.00 O ATOM 471 CB SER A 53 1.201 5.291 -10.111 1.00 0.00 C ATOM 472 OG SER A 53 0.773 5.032 -11.439 1.00 0.00 O ATOM 0 H SER A 53 1.944 2.041 -9.390 1.00 0.00 H new ATOM 0 HA SER A 53 2.812 3.910 -10.205 1.00 0.00 H new ATOM 0 HB2 SER A 53 0.334 5.499 -9.484 1.00 0.00 H new ATOM 0 HB3 SER A 53 1.825 6.185 -10.099 1.00 0.00 H new ATOM 0 HG SER A 53 0.275 5.805 -11.779 1.00 0.00 H new ATOM 478 N LEU A 54 2.485 3.615 -7.151 1.00 0.00 N ATOM 479 CA LEU A 54 3.123 3.804 -5.842 1.00 0.00 C ATOM 480 C LEU A 54 4.614 3.455 -5.914 1.00 0.00 C ATOM 481 O LEU A 54 5.122 2.859 -6.866 1.00 0.00 O ATOM 482 CB LEU A 54 2.425 2.930 -4.769 1.00 0.00 C ATOM 483 CG LEU A 54 1.237 3.480 -3.954 1.00 0.00 C ATOM 484 CD1 LEU A 54 1.616 3.566 -2.467 1.00 0.00 C ATOM 485 CD2 LEU A 54 0.724 4.844 -4.414 1.00 0.00 C ATOM 0 H LEU A 54 1.981 2.732 -7.234 1.00 0.00 H new ATOM 0 HA LEU A 54 3.023 4.853 -5.562 1.00 0.00 H new ATOM 0 HB2 LEU A 54 2.079 2.025 -5.268 1.00 0.00 H new ATOM 0 HB3 LEU A 54 3.191 2.627 -4.055 1.00 0.00 H new ATOM 0 HG LEU A 54 0.424 2.773 -4.119 1.00 0.00 H new ATOM 0 HD11 LEU A 54 0.772 3.955 -1.898 1.00 0.00 H new ATOM 0 HD12 LEU A 54 1.874 2.573 -2.099 1.00 0.00 H new ATOM 0 HD13 LEU A 54 2.471 4.231 -2.347 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -0.111 5.150 -3.784 1.00 0.00 H new ATOM 0 HD22 LEU A 54 1.525 5.579 -4.337 1.00 0.00 H new ATOM 0 HD23 LEU A 54 0.391 4.777 -5.450 1.00 0.00 H new ATOM 497 N GLU A 55 5.299 3.804 -4.833 1.00 0.00 N ATOM 498 CA GLU A 55 6.695 3.508 -4.547 1.00 0.00 C ATOM 499 C GLU A 55 6.891 3.358 -3.037 1.00 0.00 C ATOM 500 O GLU A 55 7.209 2.287 -2.521 1.00 0.00 O ATOM 501 CB GLU A 55 7.519 4.661 -5.132 1.00 0.00 C ATOM 502 CG GLU A 55 9.015 4.589 -4.847 1.00 0.00 C ATOM 503 CD GLU A 55 9.698 3.402 -5.541 1.00 0.00 C ATOM 504 OE1 GLU A 55 9.731 2.292 -4.963 1.00 0.00 O ATOM 505 OE2 GLU A 55 10.138 3.550 -6.710 1.00 0.00 O ATOM 0 H GLU A 55 4.863 4.338 -4.082 1.00 0.00 H new ATOM 0 HA GLU A 55 7.017 2.568 -4.995 1.00 0.00 H new ATOM 0 HB2 GLU A 55 7.370 4.684 -6.212 1.00 0.00 H new ATOM 0 HB3 GLU A 55 7.133 5.601 -4.737 1.00 0.00 H new ATOM 0 HG2 GLU A 55 9.487 5.515 -5.174 1.00 0.00 H new ATOM 0 HG3 GLU A 55 9.172 4.514 -3.771 1.00 0.00 H new ATOM 512 N THR A 56 6.576 4.450 -2.364 1.00 0.00 N ATOM 513 CA THR A 56 6.753 4.715 -0.923 1.00 0.00 C ATOM 514 C THR A 56 8.205 4.529 -0.426 1.00 0.00 C ATOM 515 O THR A 56 9.122 4.261 -1.206 1.00 0.00 O ATOM 516 CB THR A 56 5.781 3.894 -0.059 1.00 0.00 C ATOM 517 OG1 THR A 56 6.281 2.595 0.143 1.00 0.00 O ATOM 518 CG2 THR A 56 4.370 3.772 -0.601 1.00 0.00 C ATOM 0 H THR A 56 6.154 5.248 -2.838 1.00 0.00 H new ATOM 0 HA THR A 56 6.515 5.772 -0.805 1.00 0.00 H new ATOM 0 HB THR A 56 5.713 4.458 0.871 1.00 0.00 H new ATOM 0 HG1 THR A 56 6.672 2.262 -0.691 1.00 0.00 H new ATOM 0 HG21 THR A 56 3.768 3.175 0.083 1.00 0.00 H new ATOM 0 HG22 THR A 56 3.931 4.765 -0.699 1.00 0.00 H new ATOM 0 HG23 THR A 56 4.396 3.289 -1.578 1.00 0.00 H new ATOM 526 N THR A 57 8.444 4.675 0.869 1.00 0.00 N ATOM 527 CA THR A 57 9.735 4.358 1.497 1.00 0.00 C ATOM 528 C THR A 57 9.834 2.863 1.754 1.00 0.00 C ATOM 529 O THR A 57 10.849 2.228 1.458 1.00 0.00 O ATOM 530 CB THR A 57 9.853 5.019 2.887 1.00 0.00 C ATOM 531 OG1 THR A 57 9.495 6.372 2.822 1.00 0.00 O ATOM 532 CG2 THR A 57 11.264 4.970 3.467 1.00 0.00 C ATOM 0 H THR A 57 7.745 5.020 1.527 1.00 0.00 H new ATOM 0 HA THR A 57 10.511 4.716 0.820 1.00 0.00 H new ATOM 0 HB THR A 57 9.183 4.447 3.528 1.00 0.00 H new ATOM 0 HG1 THR A 57 9.052 6.634 3.656 1.00 0.00 H new ATOM 0 HG21 THR A 57 11.273 5.453 4.444 1.00 0.00 H new ATOM 0 HG22 THR A 57 11.578 3.932 3.572 1.00 0.00 H new ATOM 0 HG23 THR A 57 11.950 5.491 2.799 1.00 0.00 H new ATOM 540 N PHE A 58 8.769 2.320 2.352 1.00 0.00 N ATOM 541 CA PHE A 58 8.726 0.994 2.942 1.00 0.00 C ATOM 542 C PHE A 58 7.311 0.612 3.349 1.00 0.00 C ATOM 543 O PHE A 58 6.437 1.476 3.442 1.00 0.00 O ATOM 544 CB PHE A 58 9.621 1.015 4.200 1.00 0.00 C ATOM 545 CG PHE A 58 8.988 1.168 5.574 1.00 0.00 C ATOM 546 CD1 PHE A 58 8.752 2.446 6.114 1.00 0.00 C ATOM 547 CD2 PHE A 58 8.691 0.025 6.346 1.00 0.00 C ATOM 548 CE1 PHE A 58 8.197 2.578 7.403 1.00 0.00 C ATOM 549 CE2 PHE A 58 8.116 0.157 7.622 1.00 0.00 C ATOM 550 CZ PHE A 58 7.867 1.435 8.150 1.00 0.00 C ATOM 0 H PHE A 58 7.883 2.818 2.437 1.00 0.00 H new ATOM 0 HA PHE A 58 9.073 0.263 2.211 1.00 0.00 H new ATOM 0 HB2 PHE A 58 10.194 0.088 4.207 1.00 0.00 H new ATOM 0 HB3 PHE A 58 10.335 1.830 4.078 1.00 0.00 H new ATOM 0 HD1 PHE A 58 8.997 3.327 5.540 1.00 0.00 H new ATOM 0 HD2 PHE A 58 8.907 -0.958 5.954 1.00 0.00 H new ATOM 0 HE1 PHE A 58 8.025 3.560 7.817 1.00 0.00 H new ATOM 0 HE2 PHE A 58 7.866 -0.723 8.196 1.00 0.00 H new ATOM 0 HZ PHE A 58 7.422 1.538 9.129 1.00 0.00 H new ATOM 560 N SER A 59 7.130 -0.660 3.707 1.00 0.00 N ATOM 561 CA SER A 59 5.922 -1.158 4.356 1.00 0.00 C ATOM 562 C SER A 59 6.212 -2.278 5.341 1.00 0.00 C ATOM 563 O SER A 59 7.090 -3.115 5.117 1.00 0.00 O ATOM 564 CB SER A 59 4.987 -1.708 3.294 1.00 0.00 C ATOM 565 OG SER A 59 3.845 -2.314 3.862 1.00 0.00 O ATOM 0 H SER A 59 7.832 -1.383 3.550 1.00 0.00 H new ATOM 0 HA SER A 59 5.479 -0.325 4.901 1.00 0.00 H new ATOM 0 HB2 SER A 59 4.678 -0.901 2.629 1.00 0.00 H new ATOM 0 HB3 SER A 59 5.520 -2.437 2.684 1.00 0.00 H new ATOM 0 HG SER A 59 3.266 -2.655 3.148 1.00 0.00 H new ATOM 571 N SER A 60 5.426 -2.328 6.420 1.00 0.00 N ATOM 572 CA SER A 60 5.348 -3.513 7.271 1.00 0.00 C ATOM 573 C SER A 60 4.491 -4.538 6.524 1.00 0.00 C ATOM 574 O SER A 60 3.326 -4.258 6.242 1.00 0.00 O ATOM 575 CB SER A 60 4.679 -3.172 8.604 1.00 0.00 C ATOM 576 OG SER A 60 4.839 -4.236 9.525 1.00 0.00 O ATOM 0 H SER A 60 4.833 -1.556 6.724 1.00 0.00 H new ATOM 0 HA SER A 60 6.346 -3.898 7.482 1.00 0.00 H new ATOM 0 HB2 SER A 60 5.114 -2.260 9.013 1.00 0.00 H new ATOM 0 HB3 SER A 60 3.618 -2.976 8.446 1.00 0.00 H new ATOM 0 HG SER A 60 4.407 -4.002 10.373 1.00 0.00 H new ATOM 582 N VAL A 61 5.052 -5.688 6.142 1.00 0.00 N ATOM 583 CA VAL A 61 4.307 -6.845 5.604 1.00 0.00 C ATOM 584 C VAL A 61 4.960 -8.142 6.082 1.00 0.00 C ATOM 585 O VAL A 61 5.980 -8.088 6.776 1.00 0.00 O ATOM 586 CB VAL A 61 4.201 -6.862 4.054 1.00 0.00 C ATOM 587 CG1 VAL A 61 2.816 -7.338 3.600 1.00 0.00 C ATOM 588 CG2 VAL A 61 4.425 -5.527 3.352 1.00 0.00 C ATOM 0 H VAL A 61 6.057 -5.851 6.196 1.00 0.00 H new ATOM 0 HA VAL A 61 3.289 -6.755 5.982 1.00 0.00 H new ATOM 0 HB VAL A 61 5.008 -7.538 3.771 1.00 0.00 H new ATOM 0 HG11 VAL A 61 2.771 -7.340 2.511 1.00 0.00 H new ATOM 0 HG12 VAL A 61 2.638 -8.347 3.972 1.00 0.00 H new ATOM 0 HG13 VAL A 61 2.053 -6.666 3.994 1.00 0.00 H new ATOM 0 HG21 VAL A 61 4.327 -5.661 2.275 1.00 0.00 H new ATOM 0 HG22 VAL A 61 3.684 -4.806 3.697 1.00 0.00 H new ATOM 0 HG23 VAL A 61 5.425 -5.158 3.582 1.00 0.00 H new ATOM 598 N ASN A 62 4.391 -9.306 5.744 1.00 0.00 N ATOM 599 CA ASN A 62 4.758 -10.648 6.229 1.00 0.00 C ATOM 600 C ASN A 62 4.397 -10.881 7.717 1.00 0.00 C ATOM 601 O ASN A 62 4.310 -12.029 8.164 1.00 0.00 O ATOM 602 CB ASN A 62 6.250 -10.959 5.986 1.00 0.00 C ATOM 603 CG ASN A 62 6.750 -10.764 4.572 1.00 0.00 C ATOM 604 OD1 ASN A 62 6.637 -11.631 3.720 1.00 0.00 O ATOM 605 ND2 ASN A 62 7.380 -9.644 4.287 1.00 0.00 N ATOM 0 H ASN A 62 3.614 -9.341 5.084 1.00 0.00 H new ATOM 0 HA ASN A 62 4.157 -11.341 5.641 1.00 0.00 H new ATOM 0 HB2 ASN A 62 6.844 -10.330 6.649 1.00 0.00 H new ATOM 0 HB3 ASN A 62 6.436 -11.993 6.276 1.00 0.00 H new ATOM 0 HD21 ASN A 62 7.772 -9.502 3.356 1.00 0.00 H new ATOM 0 HD22 ASN A 62 7.476 -8.918 4.997 1.00 0.00 H new ATOM 612 N THR A 63 4.171 -9.814 8.495 1.00 0.00 N ATOM 613 CA THR A 63 3.648 -9.842 9.871 1.00 0.00 C ATOM 614 C THR A 63 2.247 -10.465 9.914 1.00 0.00 C ATOM 615 O THR A 63 1.453 -10.307 8.983 1.00 0.00 O ATOM 616 CB THR A 63 3.653 -8.425 10.478 1.00 0.00 C ATOM 617 OG1 THR A 63 3.053 -7.474 9.627 1.00 0.00 O ATOM 618 CG2 THR A 63 5.083 -7.933 10.708 1.00 0.00 C ATOM 0 H THR A 63 4.355 -8.865 8.170 1.00 0.00 H new ATOM 0 HA THR A 63 4.303 -10.470 10.476 1.00 0.00 H new ATOM 0 HB THR A 63 3.096 -8.510 11.411 1.00 0.00 H new ATOM 0 HG1 THR A 63 2.172 -7.229 9.980 1.00 0.00 H new ATOM 0 HG21 THR A 63 5.059 -6.931 11.137 1.00 0.00 H new ATOM 0 HG22 THR A 63 5.594 -8.609 11.394 1.00 0.00 H new ATOM 0 HG23 THR A 63 5.616 -7.908 9.758 1.00 0.00 H new ATOM 626 N ARG A 64 1.938 -11.217 10.981 1.00 0.00 N ATOM 627 CA ARG A 64 0.728 -12.064 11.043 1.00 0.00 C ATOM 628 C ARG A 64 -0.596 -11.301 11.202 1.00 0.00 C ATOM 629 O ARG A 64 -1.634 -11.867 10.883 1.00 0.00 O ATOM 630 CB ARG A 64 0.922 -13.188 12.088 1.00 0.00 C ATOM 631 CG ARG A 64 -0.071 -14.368 11.986 1.00 0.00 C ATOM 632 CD ARG A 64 0.012 -15.151 10.661 1.00 0.00 C ATOM 633 NE ARG A 64 -1.158 -16.038 10.488 1.00 0.00 N ATOM 634 CZ ARG A 64 -1.862 -16.203 9.373 1.00 0.00 C ATOM 635 NH1 ARG A 64 -1.520 -15.671 8.237 1.00 0.00 N ATOM 636 NH2 ARG A 64 -2.967 -16.886 9.377 1.00 0.00 N ATOM 0 H ARG A 64 2.513 -11.258 11.822 1.00 0.00 H new ATOM 0 HA ARG A 64 0.618 -12.522 10.060 1.00 0.00 H new ATOM 0 HB2 ARG A 64 1.935 -13.579 11.992 1.00 0.00 H new ATOM 0 HB3 ARG A 64 0.841 -12.753 13.084 1.00 0.00 H new ATOM 0 HG2 ARG A 64 0.112 -15.054 12.813 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -1.085 -13.986 12.107 1.00 0.00 H new ATOM 0 HD2 ARG A 64 0.068 -14.453 9.826 1.00 0.00 H new ATOM 0 HD3 ARG A 64 0.927 -15.744 10.643 1.00 0.00 H new ATOM 0 HE ARG A 64 -1.453 -16.575 11.303 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -0.678 -15.098 8.175 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -2.093 -15.827 7.408 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -3.305 -17.304 10.244 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -3.497 -17.004 8.513 1.00 0.00 H new ATOM 650 N ASP A 65 -0.563 -10.028 11.615 1.00 0.00 N ATOM 651 CA ASP A 65 -1.682 -9.058 11.613 1.00 0.00 C ATOM 652 C ASP A 65 -3.060 -9.708 11.916 1.00 0.00 C ATOM 653 O ASP A 65 -3.209 -10.395 12.931 1.00 0.00 O ATOM 654 CB ASP A 65 -1.641 -8.313 10.267 1.00 0.00 C ATOM 655 CG ASP A 65 -0.343 -7.532 10.007 1.00 0.00 C ATOM 656 OD1 ASP A 65 0.498 -7.355 10.923 1.00 0.00 O ATOM 657 OD2 ASP A 65 -0.181 -7.073 8.853 1.00 0.00 O ATOM 0 H ASP A 65 0.294 -9.616 11.983 1.00 0.00 H new ATOM 0 HA ASP A 65 -1.556 -8.348 12.430 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -1.782 -9.035 9.463 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -2.481 -7.620 10.225 1.00 0.00 H new ATOM 662 N PHE A 66 -4.076 -9.490 11.062 1.00 0.00 N ATOM 663 CA PHE A 66 -5.311 -10.294 11.068 1.00 0.00 C ATOM 664 C PHE A 66 -5.047 -11.657 10.370 1.00 0.00 C ATOM 665 O PHE A 66 -5.567 -12.696 10.783 1.00 0.00 O ATOM 666 CB PHE A 66 -6.455 -9.527 10.367 1.00 0.00 C ATOM 667 CG PHE A 66 -6.498 -9.698 8.855 1.00 0.00 C ATOM 668 CD1 PHE A 66 -7.228 -10.764 8.304 1.00 0.00 C ATOM 669 CD2 PHE A 66 -5.701 -8.900 8.015 1.00 0.00 C ATOM 670 CE1 PHE A 66 -7.116 -11.059 6.935 1.00 0.00 C ATOM 671 CE2 PHE A 66 -5.591 -9.201 6.644 1.00 0.00 C ATOM 672 CZ PHE A 66 -6.292 -10.289 6.100 1.00 0.00 C ATOM 0 H PHE A 66 -4.065 -8.757 10.353 1.00 0.00 H new ATOM 0 HA PHE A 66 -5.615 -10.481 12.098 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -7.406 -9.858 10.784 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -6.358 -8.466 10.597 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -7.876 -11.357 8.933 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -5.171 -8.052 8.423 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -7.670 -11.888 6.520 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -4.965 -8.593 6.008 1.00 0.00 H new ATOM 0 HZ PHE A 66 -6.198 -10.530 5.052 1.00 0.00 H new ATOM 682 N ASP A 67 -4.207 -11.628 9.326 1.00 0.00 N ATOM 683 CA ASP A 67 -3.608 -12.754 8.595 1.00 0.00 C ATOM 684 C ASP A 67 -2.307 -12.245 7.926 1.00 0.00 C ATOM 685 O ASP A 67 -1.250 -12.875 7.999 1.00 0.00 O ATOM 686 CB ASP A 67 -4.602 -13.297 7.545 1.00 0.00 C ATOM 687 CG ASP A 67 -4.162 -14.660 7.003 1.00 0.00 C ATOM 688 OD1 ASP A 67 -3.264 -14.711 6.136 1.00 0.00 O ATOM 689 OD2 ASP A 67 -4.648 -15.705 7.496 1.00 0.00 O ATOM 0 H ASP A 67 -3.902 -10.736 8.937 1.00 0.00 H new ATOM 0 HA ASP A 67 -3.375 -13.575 9.274 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -5.592 -13.385 7.992 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -4.686 -12.587 6.722 1.00 0.00 H new ATOM 694 N GLY A 68 -2.377 -11.036 7.354 1.00 0.00 N ATOM 695 CA GLY A 68 -1.236 -10.243 6.900 1.00 0.00 C ATOM 696 C GLY A 68 -1.677 -9.081 6.015 1.00 0.00 C ATOM 697 O GLY A 68 -2.407 -9.266 5.037 1.00 0.00 O ATOM 0 H GLY A 68 -3.268 -10.568 7.190 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -0.693 -9.858 7.763 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -0.546 -10.880 6.348 1.00 0.00 H new ATOM 701 N THR A 69 -1.213 -7.888 6.358 1.00 0.00 N ATOM 702 CA THR A 69 -1.498 -6.617 5.681 1.00 0.00 C ATOM 703 C THR A 69 -0.204 -5.902 5.327 1.00 0.00 C ATOM 704 O THR A 69 0.859 -6.185 5.884 1.00 0.00 O ATOM 705 CB THR A 69 -2.301 -5.647 6.577 1.00 0.00 C ATOM 706 OG1 THR A 69 -1.550 -5.125 7.655 1.00 0.00 O ATOM 707 CG2 THR A 69 -3.550 -6.266 7.185 1.00 0.00 C ATOM 0 H THR A 69 -0.593 -7.767 7.159 1.00 0.00 H new ATOM 0 HA THR A 69 -2.076 -6.872 4.793 1.00 0.00 H new ATOM 0 HB THR A 69 -2.575 -4.853 5.882 1.00 0.00 H new ATOM 0 HG1 THR A 69 -1.261 -5.858 8.238 1.00 0.00 H new ATOM 0 HG21 THR A 69 -4.061 -5.525 7.800 1.00 0.00 H new ATOM 0 HG22 THR A 69 -4.216 -6.598 6.389 1.00 0.00 H new ATOM 0 HG23 THR A 69 -3.270 -7.119 7.802 1.00 0.00 H new ATOM 715 N GLY A 70 -0.305 -4.954 4.404 1.00 0.00 N ATOM 716 CA GLY A 70 0.728 -3.963 4.167 1.00 0.00 C ATOM 717 C GLY A 70 0.447 -2.761 5.051 1.00 0.00 C ATOM 718 O GLY A 70 -0.711 -2.366 5.206 1.00 0.00 O ATOM 0 H GLY A 70 -1.116 -4.853 3.794 1.00 0.00 H new ATOM 0 HA2 GLY A 70 1.711 -4.378 4.391 1.00 0.00 H new ATOM 0 HA3 GLY A 70 0.738 -3.669 3.118 1.00 0.00 H new ATOM 722 N ALA A 71 1.494 -2.151 5.587 1.00 0.00 N ATOM 723 CA ALA A 71 1.400 -0.873 6.258 1.00 0.00 C ATOM 724 C ALA A 71 2.559 0.040 5.835 1.00 0.00 C ATOM 725 O ALA A 71 3.638 0.025 6.436 1.00 0.00 O ATOM 726 CB ALA A 71 1.224 -1.078 7.765 1.00 0.00 C ATOM 0 H ALA A 71 2.438 -2.536 5.566 1.00 0.00 H new ATOM 0 HA ALA A 71 0.504 -0.336 5.947 1.00 0.00 H new ATOM 0 HB1 ALA A 71 1.155 -0.109 8.258 1.00 0.00 H new ATOM 0 HB2 ALA A 71 0.312 -1.646 7.951 1.00 0.00 H new ATOM 0 HB3 ALA A 71 2.080 -1.626 8.160 1.00 0.00 H new ATOM 732 N LEU A 72 2.329 0.770 4.738 1.00 0.00 N ATOM 733 CA LEU A 72 3.281 1.615 4.024 1.00 0.00 C ATOM 734 C LEU A 72 3.565 2.922 4.769 1.00 0.00 C ATOM 735 O LEU A 72 2.725 3.386 5.544 1.00 0.00 O ATOM 736 CB LEU A 72 2.694 2.008 2.671 1.00 0.00 C ATOM 737 CG LEU A 72 2.582 0.978 1.538 1.00 0.00 C ATOM 738 CD1 LEU A 72 3.940 0.604 0.952 1.00 0.00 C ATOM 739 CD2 LEU A 72 1.759 -0.258 1.890 1.00 0.00 C ATOM 0 H LEU A 72 1.408 0.784 4.299 1.00 0.00 H new ATOM 0 HA LEU A 72 4.202 1.039 3.927 1.00 0.00 H new ATOM 0 HB2 LEU A 72 1.691 2.392 2.856 1.00 0.00 H new ATOM 0 HB3 LEU A 72 3.289 2.839 2.292 1.00 0.00 H new ATOM 0 HG LEU A 72 2.017 1.490 0.759 1.00 0.00 H new ATOM 0 HD11 LEU A 72 3.804 -0.127 0.155 1.00 0.00 H new ATOM 0 HD12 LEU A 72 4.420 1.495 0.548 1.00 0.00 H new ATOM 0 HD13 LEU A 72 4.568 0.176 1.733 1.00 0.00 H new ATOM 0 HD21 LEU A 72 1.731 -0.933 1.034 1.00 0.00 H new ATOM 0 HD22 LEU A 72 2.213 -0.768 2.739 1.00 0.00 H new ATOM 0 HD23 LEU A 72 0.743 0.042 2.148 1.00 0.00 H new ATOM 751 N GLU A 73 4.668 3.583 4.425 1.00 0.00 N ATOM 752 CA GLU A 73 5.001 4.964 4.864 1.00 0.00 C ATOM 753 C GLU A 73 5.656 5.794 3.736 1.00 0.00 C ATOM 754 O GLU A 73 6.421 5.247 2.936 1.00 0.00 O ATOM 755 CB GLU A 73 5.981 4.888 6.051 1.00 0.00 C ATOM 756 CG GLU A 73 6.448 6.238 6.639 1.00 0.00 C ATOM 757 CD GLU A 73 7.925 6.573 6.356 1.00 0.00 C ATOM 758 OE1 GLU A 73 8.301 6.758 5.176 1.00 0.00 O ATOM 759 OE2 GLU A 73 8.710 6.720 7.324 1.00 0.00 O ATOM 0 H GLU A 73 5.381 3.176 3.819 1.00 0.00 H new ATOM 0 HA GLU A 73 4.070 5.455 5.148 1.00 0.00 H new ATOM 0 HB2 GLU A 73 5.510 4.312 6.848 1.00 0.00 H new ATOM 0 HB3 GLU A 73 6.862 4.330 5.733 1.00 0.00 H new ATOM 0 HG2 GLU A 73 5.823 7.034 6.234 1.00 0.00 H new ATOM 0 HG3 GLU A 73 6.290 6.226 7.717 1.00 0.00 H new ATOM 766 N PHE A 74 5.406 7.114 3.686 1.00 0.00 N ATOM 767 CA PHE A 74 6.177 8.050 2.850 1.00 0.00 C ATOM 768 C PHE A 74 6.339 9.459 3.476 1.00 0.00 C ATOM 769 O PHE A 74 5.452 9.915 4.201 1.00 0.00 O ATOM 770 CB PHE A 74 5.530 8.259 1.468 1.00 0.00 C ATOM 771 CG PHE A 74 6.529 8.662 0.385 1.00 0.00 C ATOM 772 CD1 PHE A 74 7.677 7.890 0.150 1.00 0.00 C ATOM 773 CD2 PHE A 74 6.398 9.891 -0.280 1.00 0.00 C ATOM 774 CE1 PHE A 74 8.663 8.309 -0.749 1.00 0.00 C ATOM 775 CE2 PHE A 74 7.396 10.340 -1.163 1.00 0.00 C ATOM 776 CZ PHE A 74 8.526 9.543 -1.412 1.00 0.00 C ATOM 0 H PHE A 74 4.664 7.562 4.224 1.00 0.00 H new ATOM 0 HA PHE A 74 7.154 7.574 2.764 1.00 0.00 H new ATOM 0 HB2 PHE A 74 5.030 7.339 1.166 1.00 0.00 H new ATOM 0 HB3 PHE A 74 4.762 9.028 1.547 1.00 0.00 H new ATOM 0 HD1 PHE A 74 7.802 6.954 0.674 1.00 0.00 H new ATOM 0 HD2 PHE A 74 5.521 10.499 -0.112 1.00 0.00 H new ATOM 0 HE1 PHE A 74 9.527 7.688 -0.934 1.00 0.00 H new ATOM 0 HE2 PHE A 74 7.294 11.298 -1.650 1.00 0.00 H new ATOM 0 HZ PHE A 74 9.284 9.875 -2.107 1.00 0.00 H new ATOM 786 N PRO A 75 7.409 10.203 3.119 1.00 0.00 N ATOM 787 CA PRO A 75 7.578 11.627 3.405 1.00 0.00 C ATOM 788 C PRO A 75 6.631 12.634 2.718 1.00 0.00 C ATOM 789 O PRO A 75 6.790 13.832 2.962 1.00 0.00 O ATOM 790 CB PRO A 75 9.024 11.956 3.021 1.00 0.00 C ATOM 791 CG PRO A 75 9.752 10.644 3.262 1.00 0.00 C ATOM 792 CD PRO A 75 8.713 9.645 2.780 1.00 0.00 C ATOM 0 HA PRO A 75 7.324 11.753 4.458 1.00 0.00 H new ATOM 0 HB2 PRO A 75 9.102 12.275 1.982 1.00 0.00 H new ATOM 0 HB3 PRO A 75 9.430 12.761 3.633 1.00 0.00 H new ATOM 0 HG2 PRO A 75 10.681 10.578 2.697 1.00 0.00 H new ATOM 0 HG3 PRO A 75 10.007 10.500 4.312 1.00 0.00 H new ATOM 0 HD2 PRO A 75 8.798 9.485 1.705 1.00 0.00 H new ATOM 0 HD3 PRO A 75 8.856 8.676 3.258 1.00 0.00 H new ATOM 800 N SER A 76 5.687 12.235 1.850 1.00 0.00 N ATOM 801 CA SER A 76 4.798 13.181 1.141 1.00 0.00 C ATOM 802 C SER A 76 3.417 12.583 0.894 1.00 0.00 C ATOM 803 O SER A 76 3.290 11.584 0.187 1.00 0.00 O ATOM 804 CB SER A 76 5.363 13.559 -0.219 1.00 0.00 C ATOM 805 OG SER A 76 6.746 13.894 -0.176 1.00 0.00 O ATOM 0 H SER A 76 5.516 11.256 1.619 1.00 0.00 H new ATOM 0 HA SER A 76 4.723 14.056 1.786 1.00 0.00 H new ATOM 0 HB2 SER A 76 5.218 12.728 -0.910 1.00 0.00 H new ATOM 0 HB3 SER A 76 4.803 14.405 -0.616 1.00 0.00 H new ATOM 0 HG SER A 76 7.054 14.126 -1.077 1.00 0.00 H new ATOM 811 N GLU A 77 2.367 13.213 1.428 1.00 0.00 N ATOM 812 CA GLU A 77 0.981 12.723 1.323 1.00 0.00 C ATOM 813 C GLU A 77 0.438 12.532 -0.094 1.00 0.00 C ATOM 814 O GLU A 77 -0.587 11.882 -0.280 1.00 0.00 O ATOM 815 CB GLU A 77 0.023 13.576 2.153 1.00 0.00 C ATOM 816 CG GLU A 77 0.004 15.070 1.809 1.00 0.00 C ATOM 817 CD GLU A 77 -0.654 15.843 2.965 1.00 0.00 C ATOM 818 OE1 GLU A 77 -1.875 15.678 3.208 1.00 0.00 O ATOM 819 OE2 GLU A 77 0.055 16.555 3.713 1.00 0.00 O ATOM 0 H GLU A 77 2.451 14.085 1.951 1.00 0.00 H new ATOM 0 HA GLU A 77 1.036 11.715 1.734 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -0.985 13.180 2.033 1.00 0.00 H new ATOM 0 HB3 GLU A 77 0.285 13.466 3.205 1.00 0.00 H new ATOM 0 HG2 GLU A 77 1.019 15.431 1.645 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -0.547 15.236 0.883 1.00 0.00 H new ATOM 826 N GLU A 78 1.141 13.028 -1.109 1.00 0.00 N ATOM 827 CA GLU A 78 0.881 12.730 -2.523 1.00 0.00 C ATOM 828 C GLU A 78 0.727 11.214 -2.752 1.00 0.00 C ATOM 829 O GLU A 78 -0.274 10.766 -3.308 1.00 0.00 O ATOM 830 CB GLU A 78 2.044 13.281 -3.369 1.00 0.00 C ATOM 831 CG GLU A 78 2.310 14.789 -3.215 1.00 0.00 C ATOM 832 CD GLU A 78 1.278 15.646 -3.969 1.00 0.00 C ATOM 833 OE1 GLU A 78 0.148 15.842 -3.461 1.00 0.00 O ATOM 834 OE2 GLU A 78 1.594 16.142 -5.083 1.00 0.00 O ATOM 0 H GLU A 78 1.927 13.664 -0.972 1.00 0.00 H new ATOM 0 HA GLU A 78 -0.054 13.205 -2.821 1.00 0.00 H new ATOM 0 HB2 GLU A 78 2.952 12.739 -3.105 1.00 0.00 H new ATOM 0 HB3 GLU A 78 1.840 13.070 -4.419 1.00 0.00 H new ATOM 0 HG2 GLU A 78 2.294 15.052 -2.157 1.00 0.00 H new ATOM 0 HG3 GLU A 78 3.309 15.019 -3.585 1.00 0.00 H new ATOM 841 N ILE A 79 1.680 10.420 -2.243 1.00 0.00 N ATOM 842 CA ILE A 79 1.746 8.953 -2.397 1.00 0.00 C ATOM 843 C ILE A 79 0.635 8.245 -1.592 1.00 0.00 C ATOM 844 O ILE A 79 0.024 7.262 -2.033 1.00 0.00 O ATOM 845 CB ILE A 79 3.175 8.477 -2.014 1.00 0.00 C ATOM 846 CG1 ILE A 79 4.258 9.296 -2.765 1.00 0.00 C ATOM 847 CG2 ILE A 79 3.351 6.963 -2.211 1.00 0.00 C ATOM 848 CD1 ILE A 79 5.536 8.570 -3.224 1.00 0.00 C ATOM 0 H ILE A 79 2.455 10.791 -1.693 1.00 0.00 H new ATOM 0 HA ILE A 79 1.561 8.681 -3.436 1.00 0.00 H new ATOM 0 HB ILE A 79 3.308 8.664 -0.948 1.00 0.00 H new ATOM 0 HG12 ILE A 79 3.791 9.735 -3.646 1.00 0.00 H new ATOM 0 HG13 ILE A 79 4.558 10.121 -2.119 1.00 0.00 H new ATOM 0 HG21 ILE A 79 4.364 6.675 -1.931 1.00 0.00 H new ATOM 0 HG22 ILE A 79 2.636 6.429 -1.585 1.00 0.00 H new ATOM 0 HG23 ILE A 79 3.178 6.710 -3.257 1.00 0.00 H new ATOM 0 HD11 ILE A 79 6.193 9.276 -3.732 1.00 0.00 H new ATOM 0 HD12 ILE A 79 6.050 8.155 -2.357 1.00 0.00 H new ATOM 0 HD13 ILE A 79 5.271 7.764 -3.908 1.00 0.00 H new ATOM 860 N LEU A 80 0.309 8.811 -0.423 1.00 0.00 N ATOM 861 CA LEU A 80 -0.787 8.366 0.429 1.00 0.00 C ATOM 862 C LEU A 80 -2.124 8.482 -0.320 1.00 0.00 C ATOM 863 O LEU A 80 -2.882 7.518 -0.434 1.00 0.00 O ATOM 864 CB LEU A 80 -0.766 9.204 1.733 1.00 0.00 C ATOM 865 CG LEU A 80 -2.090 9.587 2.432 1.00 0.00 C ATOM 866 CD1 LEU A 80 -2.854 8.399 2.979 1.00 0.00 C ATOM 867 CD2 LEU A 80 -1.840 10.480 3.643 1.00 0.00 C ATOM 0 H LEU A 80 0.815 9.609 -0.040 1.00 0.00 H new ATOM 0 HA LEU A 80 -0.668 7.315 0.692 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -0.164 8.658 2.459 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -0.237 10.131 1.513 1.00 0.00 H new ATOM 0 HG LEU A 80 -2.664 10.084 1.650 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -3.772 8.744 3.455 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -3.102 7.719 2.164 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -2.239 7.877 3.712 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -2.791 10.731 4.112 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -1.210 9.953 4.360 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -1.340 11.394 3.324 1.00 0.00 H new ATOM 879 N VAL A 81 -2.390 9.678 -0.855 1.00 0.00 N ATOM 880 CA VAL A 81 -3.664 10.061 -1.483 1.00 0.00 C ATOM 881 C VAL A 81 -3.857 9.320 -2.774 1.00 0.00 C ATOM 882 O VAL A 81 -4.970 8.887 -3.075 1.00 0.00 O ATOM 883 CB VAL A 81 -3.723 11.583 -1.722 1.00 0.00 C ATOM 884 CG1 VAL A 81 -4.899 12.036 -2.597 1.00 0.00 C ATOM 885 CG2 VAL A 81 -3.861 12.317 -0.392 1.00 0.00 C ATOM 0 H VAL A 81 -1.704 10.433 -0.864 1.00 0.00 H new ATOM 0 HA VAL A 81 -4.472 9.791 -0.803 1.00 0.00 H new ATOM 0 HB VAL A 81 -2.794 11.822 -2.240 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -4.868 13.119 -2.716 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -4.829 11.561 -3.576 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -5.837 11.750 -2.122 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -3.902 13.391 -0.572 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -4.776 11.998 0.107 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -3.004 12.087 0.241 1.00 0.00 H new ATOM 895 N GLU A 82 -2.757 9.115 -3.489 1.00 0.00 N ATOM 896 CA GLU A 82 -2.682 8.210 -4.591 1.00 0.00 C ATOM 897 C GLU A 82 -3.251 6.853 -4.151 1.00 0.00 C ATOM 898 O GLU A 82 -4.382 6.561 -4.508 1.00 0.00 O ATOM 899 CB GLU A 82 -1.204 8.122 -4.938 1.00 0.00 C ATOM 900 CG GLU A 82 -0.677 9.000 -6.065 1.00 0.00 C ATOM 901 CD GLU A 82 -1.394 8.891 -7.413 1.00 0.00 C ATOM 902 OE1 GLU A 82 -1.565 7.771 -7.943 1.00 0.00 O ATOM 903 OE2 GLU A 82 -1.784 9.939 -7.982 1.00 0.00 O ATOM 0 H GLU A 82 -1.877 9.595 -3.299 1.00 0.00 H new ATOM 0 HA GLU A 82 -3.256 8.532 -5.460 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -0.636 8.358 -4.038 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -0.983 7.085 -5.192 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -0.724 10.039 -5.738 1.00 0.00 H new ATOM 0 HG3 GLU A 82 0.375 8.761 -6.219 1.00 0.00 H new ATOM 910 N ALA A 83 -2.577 6.062 -3.301 1.00 0.00 N ATOM 911 CA ALA A 83 -3.105 4.723 -2.937 1.00 0.00 C ATOM 912 C ALA A 83 -4.562 4.735 -2.417 1.00 0.00 C ATOM 913 O ALA A 83 -5.352 3.881 -2.816 1.00 0.00 O ATOM 914 CB ALA A 83 -2.178 4.052 -1.936 1.00 0.00 C ATOM 0 H ALA A 83 -1.691 6.309 -2.860 1.00 0.00 H new ATOM 0 HA ALA A 83 -3.134 4.146 -3.861 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -2.574 3.070 -1.675 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -1.188 3.939 -2.377 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -2.107 4.665 -1.038 1.00 0.00 H new ATOM 920 N LEU A 84 -4.964 5.739 -1.643 1.00 0.00 N ATOM 921 CA LEU A 84 -6.344 5.894 -1.131 1.00 0.00 C ATOM 922 C LEU A 84 -7.358 6.083 -2.254 1.00 0.00 C ATOM 923 O LEU A 84 -8.520 5.703 -2.101 1.00 0.00 O ATOM 924 CB LEU A 84 -6.469 7.101 -0.177 1.00 0.00 C ATOM 925 CG LEU A 84 -5.695 7.122 1.134 1.00 0.00 C ATOM 926 CD1 LEU A 84 -6.605 7.617 2.250 1.00 0.00 C ATOM 927 CD2 LEU A 84 -5.137 5.772 1.533 1.00 0.00 C ATOM 0 H LEU A 84 -4.338 6.486 -1.343 1.00 0.00 H new ATOM 0 HA LEU A 84 -6.559 4.970 -0.595 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -6.178 7.989 -0.739 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -7.525 7.211 0.069 1.00 0.00 H new ATOM 0 HG LEU A 84 -4.847 7.789 0.978 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -6.053 7.633 3.190 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -6.953 8.623 2.016 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -7.462 6.950 2.344 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -4.599 5.865 2.476 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -5.955 5.061 1.650 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -4.456 5.417 0.760 1.00 0.00 H new ATOM 939 N GLU A 85 -6.926 6.638 -3.388 1.00 0.00 N ATOM 940 CA GLU A 85 -7.746 6.771 -4.578 1.00 0.00 C ATOM 941 C GLU A 85 -7.419 5.758 -5.703 1.00 0.00 C ATOM 942 O GLU A 85 -8.139 5.717 -6.701 1.00 0.00 O ATOM 943 CB GLU A 85 -7.594 8.189 -5.149 1.00 0.00 C ATOM 944 CG GLU A 85 -8.103 9.324 -4.255 1.00 0.00 C ATOM 945 CD GLU A 85 -7.887 10.720 -4.890 1.00 0.00 C ATOM 946 OE1 GLU A 85 -7.414 10.831 -6.056 1.00 0.00 O ATOM 947 OE2 GLU A 85 -8.232 11.731 -4.229 1.00 0.00 O ATOM 0 H GLU A 85 -5.983 7.010 -3.500 1.00 0.00 H new ATOM 0 HA GLU A 85 -8.766 6.564 -4.254 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -6.539 8.364 -5.362 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -8.123 8.236 -6.101 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -9.165 9.178 -4.057 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -7.591 9.282 -3.293 1.00 0.00 H new ATOM 954 N ARG A 86 -6.350 4.951 -5.586 1.00 0.00 N ATOM 955 CA ARG A 86 -5.791 4.120 -6.668 1.00 0.00 C ATOM 956 C ARG A 86 -5.914 2.644 -6.343 1.00 0.00 C ATOM 957 O ARG A 86 -6.106 1.837 -7.245 1.00 0.00 O ATOM 958 CB ARG A 86 -4.305 4.498 -6.857 1.00 0.00 C ATOM 959 CG ARG A 86 -4.026 5.490 -8.002 1.00 0.00 C ATOM 960 CD ARG A 86 -4.776 6.799 -7.706 1.00 0.00 C ATOM 961 NE ARG A 86 -4.382 7.987 -8.474 1.00 0.00 N ATOM 962 CZ ARG A 86 -5.053 9.123 -8.346 1.00 0.00 C ATOM 963 NH1 ARG A 86 -6.328 9.150 -8.084 1.00 0.00 N ATOM 964 NH2 ARG A 86 -4.451 10.268 -8.415 1.00 0.00 N ATOM 0 H ARG A 86 -5.836 4.856 -4.710 1.00 0.00 H new ATOM 0 HA ARG A 86 -6.349 4.304 -7.586 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -3.934 4.927 -5.926 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -3.734 3.587 -7.038 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -2.956 5.678 -8.088 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -4.354 5.072 -8.954 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -5.839 6.625 -7.875 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -4.654 7.026 -6.647 1.00 0.00 H new ATOM 0 HE ARG A 86 -3.586 7.938 -9.110 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -6.844 8.277 -7.970 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -6.811 10.044 -7.993 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -3.444 10.306 -8.570 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -4.984 11.132 -8.314 1.00 0.00 H new ATOM 978 N LEU A 87 -5.830 2.308 -5.054 1.00 0.00 N ATOM 979 CA LEU A 87 -5.810 0.963 -4.538 1.00 0.00 C ATOM 980 C LEU A 87 -7.054 0.611 -3.739 1.00 0.00 C ATOM 981 O LEU A 87 -7.251 -0.564 -3.459 1.00 0.00 O ATOM 982 CB LEU A 87 -4.523 0.734 -3.729 1.00 0.00 C ATOM 983 CG LEU A 87 -3.360 0.319 -4.609 1.00 0.00 C ATOM 984 CD1 LEU A 87 -2.956 1.352 -5.636 1.00 0.00 C ATOM 985 CD2 LEU A 87 -2.134 -0.094 -3.806 1.00 0.00 C ATOM 0 H LEU A 87 -5.772 3.010 -4.317 1.00 0.00 H new ATOM 0 HA LEU A 87 -5.816 0.284 -5.390 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -4.264 1.648 -3.195 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -4.700 -0.035 -2.977 1.00 0.00 H new ATOM 0 HG LEU A 87 -3.745 -0.546 -5.149 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -2.118 0.974 -6.222 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -3.798 1.556 -6.297 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -2.660 2.271 -5.131 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -1.333 -0.381 -4.487 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -1.804 0.742 -3.190 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -2.386 -0.939 -3.166 1.00 0.00 H new ATOM 997 N ASN A 88 -7.907 1.572 -3.378 1.00 0.00 N ATOM 998 CA ASN A 88 -8.978 1.288 -2.433 1.00 0.00 C ATOM 999 C ASN A 88 -10.026 0.288 -2.945 1.00 0.00 C ATOM 1000 O ASN A 88 -10.834 0.577 -3.829 1.00 0.00 O ATOM 1001 CB ASN A 88 -9.592 2.577 -1.891 1.00 0.00 C ATOM 1002 CG ASN A 88 -10.391 2.301 -0.640 1.00 0.00 C ATOM 1003 OD1 ASN A 88 -10.151 1.350 0.092 1.00 0.00 O ATOM 1004 ND2 ASN A 88 -11.357 3.128 -0.342 1.00 0.00 N ATOM 0 H ASN A 88 -7.876 2.533 -3.719 1.00 0.00 H new ATOM 0 HA ASN A 88 -8.512 0.769 -1.595 1.00 0.00 H new ATOM 0 HB2 ASN A 88 -8.804 3.298 -1.674 1.00 0.00 H new ATOM 0 HB3 ASN A 88 -10.235 3.026 -2.648 1.00 0.00 H new ATOM 0 HD21 ASN A 88 -11.912 2.981 0.501 1.00 0.00 H new ATOM 0 HD22 ASN A 88 -11.556 3.920 -0.952 1.00 0.00 H new ATOM 1011 N ASN A 89 -9.983 -0.895 -2.340 1.00 0.00 N ATOM 1012 CA ASN A 89 -10.740 -2.098 -2.646 1.00 0.00 C ATOM 1013 C ASN A 89 -10.530 -2.601 -4.094 1.00 0.00 C ATOM 1014 O ASN A 89 -11.426 -3.204 -4.692 1.00 0.00 O ATOM 1015 CB ASN A 89 -12.180 -1.906 -2.140 1.00 0.00 C ATOM 1016 CG ASN A 89 -12.902 -3.228 -1.949 1.00 0.00 C ATOM 1017 OD1 ASN A 89 -13.841 -3.575 -2.654 1.00 0.00 O ATOM 1018 ND2 ASN A 89 -12.484 -3.998 -0.969 1.00 0.00 N ATOM 0 H ASN A 89 -9.357 -1.047 -1.549 1.00 0.00 H new ATOM 0 HA ASN A 89 -10.356 -2.960 -2.101 1.00 0.00 H new ATOM 0 HB2 ASN A 89 -12.162 -1.364 -1.194 1.00 0.00 H new ATOM 0 HB3 ASN A 89 -12.734 -1.291 -2.849 1.00 0.00 H new ATOM 0 HD21 ASN A 89 -12.943 -4.892 -0.791 1.00 0.00 H new ATOM 0 HD22 ASN A 89 -11.701 -3.702 -0.386 1.00 0.00 H new ATOM 1025 N ILE A 90 -9.334 -2.364 -4.663 1.00 0.00 N ATOM 1026 CA ILE A 90 -8.958 -2.854 -6.001 1.00 0.00 C ATOM 1027 C ILE A 90 -8.501 -4.294 -5.976 1.00 0.00 C ATOM 1028 O ILE A 90 -7.804 -4.726 -5.053 1.00 0.00 O ATOM 1029 CB ILE A 90 -7.946 -1.975 -6.775 1.00 0.00 C ATOM 1030 CG1 ILE A 90 -6.477 -1.976 -6.343 1.00 0.00 C ATOM 1031 CG2 ILE A 90 -8.528 -0.551 -6.845 1.00 0.00 C ATOM 1032 CD1 ILE A 90 -5.586 -3.047 -6.972 1.00 0.00 C ATOM 0 H ILE A 90 -8.599 -1.825 -4.206 1.00 0.00 H new ATOM 0 HA ILE A 90 -9.889 -2.784 -6.564 1.00 0.00 H new ATOM 0 HB ILE A 90 -7.850 -2.448 -7.753 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -6.052 -0.999 -6.574 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -6.439 -2.093 -5.260 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -7.839 0.098 -7.386 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -9.486 -0.575 -7.364 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -8.672 -0.167 -5.835 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -4.570 -2.946 -6.589 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -5.972 -4.035 -6.721 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -5.579 -2.924 -8.055 1.00 0.00 H new ATOM 1044 N GLU A 91 -8.909 -5.026 -7.002 1.00 0.00 N ATOM 1045 CA GLU A 91 -8.537 -6.415 -7.210 1.00 0.00 C ATOM 1046 C GLU A 91 -7.037 -6.551 -7.497 1.00 0.00 C ATOM 1047 O GLU A 91 -6.511 -6.104 -8.523 1.00 0.00 O ATOM 1048 CB GLU A 91 -9.395 -7.013 -8.317 1.00 0.00 C ATOM 1049 CG GLU A 91 -9.218 -8.529 -8.478 1.00 0.00 C ATOM 1050 CD GLU A 91 -8.824 -8.907 -9.920 1.00 0.00 C ATOM 1051 OE1 GLU A 91 -9.721 -9.044 -10.788 1.00 0.00 O ATOM 1052 OE2 GLU A 91 -7.610 -9.076 -10.182 1.00 0.00 O ATOM 0 H GLU A 91 -9.523 -4.660 -7.730 1.00 0.00 H new ATOM 0 HA GLU A 91 -8.725 -6.978 -6.296 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -10.443 -6.798 -8.110 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -9.150 -6.524 -9.260 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -8.452 -8.881 -7.787 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -10.146 -9.034 -8.210 1.00 0.00 H new ATOM 1059 N PHE A 92 -6.355 -7.179 -6.549 1.00 0.00 N ATOM 1060 CA PHE A 92 -4.933 -7.460 -6.549 1.00 0.00 C ATOM 1061 C PHE A 92 -4.645 -8.836 -7.162 1.00 0.00 C ATOM 1062 O PHE A 92 -4.524 -9.829 -6.442 1.00 0.00 O ATOM 1063 CB PHE A 92 -4.434 -7.390 -5.101 1.00 0.00 C ATOM 1064 CG PHE A 92 -2.968 -7.683 -4.797 1.00 0.00 C ATOM 1065 CD1 PHE A 92 -2.007 -7.911 -5.816 1.00 0.00 C ATOM 1066 CD2 PHE A 92 -2.562 -7.696 -3.449 1.00 0.00 C ATOM 1067 CE1 PHE A 92 -0.659 -8.110 -5.482 1.00 0.00 C ATOM 1068 CE2 PHE A 92 -1.212 -7.890 -3.123 1.00 0.00 C ATOM 1069 CZ PHE A 92 -0.264 -8.063 -4.143 1.00 0.00 C ATOM 0 H PHE A 92 -6.814 -7.527 -5.707 1.00 0.00 H new ATOM 0 HA PHE A 92 -4.409 -6.724 -7.159 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -4.651 -6.389 -4.729 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -5.035 -8.085 -4.515 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -2.314 -7.931 -6.851 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -3.291 -7.556 -2.665 1.00 0.00 H new ATOM 0 HE1 PHE A 92 0.070 -8.299 -6.256 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -0.902 -7.906 -2.088 1.00 0.00 H new ATOM 0 HZ PHE A 92 0.781 -8.161 -3.890 1.00 0.00 H new ATOM 1079 N ARG A 93 -4.552 -8.893 -8.494 1.00 0.00 N ATOM 1080 CA ARG A 93 -4.283 -10.101 -9.307 1.00 0.00 C ATOM 1081 C ARG A 93 -5.135 -11.350 -8.967 1.00 0.00 C ATOM 1082 O ARG A 93 -4.763 -12.469 -9.330 1.00 0.00 O ATOM 1083 CB ARG A 93 -2.776 -10.439 -9.285 1.00 0.00 C ATOM 1084 CG ARG A 93 -1.843 -9.320 -9.774 1.00 0.00 C ATOM 1085 CD ARG A 93 -0.450 -9.926 -10.006 1.00 0.00 C ATOM 1086 NE ARG A 93 0.602 -8.935 -10.281 1.00 0.00 N ATOM 1087 CZ ARG A 93 0.787 -8.195 -11.360 1.00 0.00 C ATOM 1088 NH1 ARG A 93 -0.102 -8.016 -12.292 1.00 0.00 N ATOM 1089 NH2 ARG A 93 1.908 -7.577 -11.540 1.00 0.00 N ATOM 0 H ARG A 93 -4.667 -8.060 -9.071 1.00 0.00 H new ATOM 0 HA ARG A 93 -4.598 -9.832 -10.315 1.00 0.00 H new ATOM 0 HB2 ARG A 93 -2.495 -10.704 -8.266 1.00 0.00 H new ATOM 0 HB3 ARG A 93 -2.610 -11.323 -9.901 1.00 0.00 H new ATOM 0 HG2 ARG A 93 -2.225 -8.881 -10.696 1.00 0.00 H new ATOM 0 HG3 ARG A 93 -1.791 -8.519 -9.037 1.00 0.00 H new ATOM 0 HD2 ARG A 93 -0.167 -10.505 -9.127 1.00 0.00 H new ATOM 0 HD3 ARG A 93 -0.504 -10.623 -10.842 1.00 0.00 H new ATOM 0 HE ARG A 93 1.284 -8.800 -9.534 1.00 0.00 H new ATOM 0 HH11 ARG A 93 -1.016 -8.463 -12.217 1.00 0.00 H new ATOM 0 HH12 ARG A 93 0.115 -7.429 -13.098 1.00 0.00 H new ATOM 0 HH21 ARG A 93 2.653 -7.660 -10.848 1.00 0.00 H new ATOM 0 HH22 ARG A 93 2.048 -7.007 -12.374 1.00 0.00 H new ATOM 1103 N GLY A 94 -6.241 -11.190 -8.239 1.00 0.00 N ATOM 1104 CA GLY A 94 -7.070 -12.278 -7.708 1.00 0.00 C ATOM 1105 C GLY A 94 -7.488 -12.123 -6.234 1.00 0.00 C ATOM 1106 O GLY A 94 -8.467 -12.760 -5.839 1.00 0.00 O ATOM 0 H GLY A 94 -6.599 -10.267 -7.993 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -7.970 -12.359 -8.318 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -6.525 -13.216 -7.818 1.00 0.00 H new ATOM 1110 N SER A 95 -6.806 -11.299 -5.423 1.00 0.00 N ATOM 1111 CA SER A 95 -7.302 -10.890 -4.105 1.00 0.00 C ATOM 1112 C SER A 95 -7.883 -9.492 -4.326 1.00 0.00 C ATOM 1113 O SER A 95 -8.032 -9.055 -5.463 1.00 0.00 O ATOM 1114 CB SER A 95 -6.142 -10.870 -3.104 1.00 0.00 C ATOM 1115 OG SER A 95 -5.597 -12.172 -2.951 1.00 0.00 O ATOM 0 H SER A 95 -5.899 -10.900 -5.664 1.00 0.00 H new ATOM 0 HA SER A 95 -8.051 -11.568 -3.697 1.00 0.00 H new ATOM 0 HB2 SER A 95 -5.368 -10.183 -3.448 1.00 0.00 H new ATOM 0 HB3 SER A 95 -6.491 -10.500 -2.140 1.00 0.00 H new ATOM 0 HG SER A 95 -4.691 -12.106 -2.583 1.00 0.00 H new ATOM 1121 N VAL A 96 -8.195 -8.742 -3.286 1.00 0.00 N ATOM 1122 CA VAL A 96 -8.454 -7.294 -3.404 1.00 0.00 C ATOM 1123 C VAL A 96 -7.793 -6.637 -2.179 1.00 0.00 C ATOM 1124 O VAL A 96 -7.468 -7.343 -1.221 1.00 0.00 O ATOM 1125 CB VAL A 96 -9.943 -6.899 -3.594 1.00 0.00 C ATOM 1126 CG1 VAL A 96 -10.781 -7.856 -4.457 1.00 0.00 C ATOM 1127 CG2 VAL A 96 -10.755 -6.685 -2.325 1.00 0.00 C ATOM 0 H VAL A 96 -8.279 -9.103 -2.336 1.00 0.00 H new ATOM 0 HA VAL A 96 -8.018 -6.925 -4.332 1.00 0.00 H new ATOM 0 HB VAL A 96 -9.789 -5.948 -4.104 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -11.804 -7.485 -4.523 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -10.351 -7.916 -5.457 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -10.783 -8.847 -4.004 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -11.777 -6.414 -2.589 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -10.763 -7.604 -1.739 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -10.307 -5.884 -1.737 1.00 0.00 H new ATOM 1137 N ILE A 97 -7.601 -5.320 -2.141 1.00 0.00 N ATOM 1138 CA ILE A 97 -7.096 -4.629 -0.941 1.00 0.00 C ATOM 1139 C ILE A 97 -7.840 -3.327 -0.706 1.00 0.00 C ATOM 1140 O ILE A 97 -7.855 -2.445 -1.545 1.00 0.00 O ATOM 1141 CB ILE A 97 -5.584 -4.343 -0.998 1.00 0.00 C ATOM 1142 CG1 ILE A 97 -5.126 -3.956 -2.417 1.00 0.00 C ATOM 1143 CG2 ILE A 97 -4.770 -5.514 -0.421 1.00 0.00 C ATOM 1144 CD1 ILE A 97 -3.698 -3.421 -2.446 1.00 0.00 C ATOM 0 H ILE A 97 -7.787 -4.700 -2.930 1.00 0.00 H new ATOM 0 HA ILE A 97 -7.274 -5.314 -0.112 1.00 0.00 H new ATOM 0 HB ILE A 97 -5.391 -3.477 -0.365 1.00 0.00 H new ATOM 0 HG12 ILE A 97 -5.197 -4.827 -3.068 1.00 0.00 H new ATOM 0 HG13 ILE A 97 -5.801 -3.201 -2.820 1.00 0.00 H new ATOM 0 HG21 ILE A 97 -3.707 -5.280 -0.476 1.00 0.00 H new ATOM 0 HG22 ILE A 97 -5.052 -5.676 0.619 1.00 0.00 H new ATOM 0 HG23 ILE A 97 -4.973 -6.417 -0.997 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -3.427 -3.164 -3.470 1.00 0.00 H new ATOM 0 HD12 ILE A 97 -3.629 -2.533 -1.818 1.00 0.00 H new ATOM 0 HD13 ILE A 97 -3.016 -4.184 -2.071 1.00 0.00 H new ATOM 1156 N THR A 98 -8.446 -3.191 0.456 1.00 0.00 N ATOM 1157 CA THR A 98 -9.001 -1.930 0.955 1.00 0.00 C ATOM 1158 C THR A 98 -7.851 -1.169 1.602 1.00 0.00 C ATOM 1159 O THR A 98 -7.047 -1.762 2.335 1.00 0.00 O ATOM 1160 CB THR A 98 -10.092 -2.191 1.990 1.00 0.00 C ATOM 1161 OG1 THR A 98 -11.026 -3.119 1.476 1.00 0.00 O ATOM 1162 CG2 THR A 98 -10.879 -0.937 2.359 1.00 0.00 C ATOM 0 H THR A 98 -8.574 -3.969 1.103 1.00 0.00 H new ATOM 0 HA THR A 98 -9.449 -1.361 0.140 1.00 0.00 H new ATOM 0 HB THR A 98 -9.580 -2.564 2.877 1.00 0.00 H new ATOM 0 HG1 THR A 98 -11.724 -3.285 2.144 1.00 0.00 H new ATOM 0 HG21 THR A 98 -11.639 -1.189 3.098 1.00 0.00 H new ATOM 0 HG22 THR A 98 -10.201 -0.191 2.775 1.00 0.00 H new ATOM 0 HG23 THR A 98 -11.360 -0.534 1.468 1.00 0.00 H new ATOM 1170 N VAL A 99 -7.743 0.128 1.329 1.00 0.00 N ATOM 1171 CA VAL A 99 -6.567 0.915 1.722 1.00 0.00 C ATOM 1172 C VAL A 99 -6.959 2.264 2.300 1.00 0.00 C ATOM 1173 O VAL A 99 -7.878 2.933 1.818 1.00 0.00 O ATOM 1174 CB VAL A 99 -5.552 1.087 0.587 1.00 0.00 C ATOM 1175 CG1 VAL A 99 -5.211 -0.242 -0.073 1.00 0.00 C ATOM 1176 CG2 VAL A 99 -6.067 2.043 -0.463 1.00 0.00 C ATOM 0 H VAL A 99 -8.457 0.663 0.835 1.00 0.00 H new ATOM 0 HA VAL A 99 -6.074 0.337 2.503 1.00 0.00 H new ATOM 0 HB VAL A 99 -4.647 1.496 1.037 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -4.489 -0.077 -0.872 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -4.784 -0.917 0.668 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -6.116 -0.685 -0.488 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -5.326 2.146 -1.256 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -6.996 1.657 -0.882 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -6.251 3.017 -0.010 1.00 0.00 H new ATOM 1186 N GLU A 100 -6.249 2.661 3.344 1.00 0.00 N ATOM 1187 CA GLU A 100 -6.583 3.875 4.090 1.00 0.00 C ATOM 1188 C GLU A 100 -5.449 4.385 4.973 1.00 0.00 C ATOM 1189 O GLU A 100 -4.587 3.635 5.433 1.00 0.00 O ATOM 1190 CB GLU A 100 -7.824 3.625 4.984 1.00 0.00 C ATOM 1191 CG GLU A 100 -7.726 2.490 6.020 1.00 0.00 C ATOM 1192 CD GLU A 100 -7.914 1.093 5.407 1.00 0.00 C ATOM 1193 OE1 GLU A 100 -9.069 0.682 5.138 1.00 0.00 O ATOM 1194 OE2 GLU A 100 -6.921 0.348 5.248 1.00 0.00 O ATOM 0 H GLU A 100 -5.434 2.161 3.699 1.00 0.00 H new ATOM 0 HA GLU A 100 -6.782 4.639 3.338 1.00 0.00 H new ATOM 0 HB2 GLU A 100 -8.049 4.549 5.516 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -8.673 3.416 4.333 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -6.753 2.537 6.510 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -8.480 2.645 6.792 1.00 0.00 H new ATOM 1201 N ARG A 101 -5.507 5.691 5.242 1.00 0.00 N ATOM 1202 CA ARG A 101 -4.712 6.384 6.253 1.00 0.00 C ATOM 1203 C ARG A 101 -4.922 5.751 7.629 1.00 0.00 C ATOM 1204 O ARG A 101 -6.046 5.460 8.041 1.00 0.00 O ATOM 1205 CB ARG A 101 -5.054 7.878 6.224 1.00 0.00 C ATOM 1206 CG ARG A 101 -6.526 8.194 6.529 1.00 0.00 C ATOM 1207 CD ARG A 101 -6.891 9.580 5.988 1.00 0.00 C ATOM 1208 NE ARG A 101 -8.284 9.967 6.294 1.00 0.00 N ATOM 1209 CZ ARG A 101 -8.743 10.490 7.418 1.00 0.00 C ATOM 1210 NH1 ARG A 101 -8.000 10.658 8.471 1.00 0.00 N ATOM 1211 NH2 ARG A 101 -9.986 10.867 7.511 1.00 0.00 N ATOM 0 H ARG A 101 -6.135 6.318 4.740 1.00 0.00 H new ATOM 0 HA ARG A 101 -3.650 6.283 6.031 1.00 0.00 H new ATOM 0 HB2 ARG A 101 -4.425 8.397 6.948 1.00 0.00 H new ATOM 0 HB3 ARG A 101 -4.805 8.277 5.241 1.00 0.00 H new ATOM 0 HG2 ARG A 101 -7.169 7.438 6.078 1.00 0.00 H new ATOM 0 HG3 ARG A 101 -6.698 8.158 7.605 1.00 0.00 H new ATOM 0 HD2 ARG A 101 -6.212 10.320 6.411 1.00 0.00 H new ATOM 0 HD3 ARG A 101 -6.744 9.593 4.908 1.00 0.00 H new ATOM 0 HE ARG A 101 -8.969 9.813 5.554 1.00 0.00 H new ATOM 0 HH11 ARG A 101 -7.018 10.382 8.452 1.00 0.00 H new ATOM 0 HH12 ARG A 101 -8.399 11.066 9.317 1.00 0.00 H new ATOM 0 HH21 ARG A 101 -10.613 10.760 6.713 1.00 0.00 H new ATOM 0 HH22 ARG A 101 -10.333 11.270 8.382 1.00 0.00 H new ATOM 1225 N ASP A 102 -3.814 5.541 8.327 1.00 0.00 N ATOM 1226 CA ASP A 102 -3.722 4.748 9.560 1.00 0.00 C ATOM 1227 C ASP A 102 -3.022 5.480 10.723 1.00 0.00 C ATOM 1228 O ASP A 102 -3.029 4.993 11.856 1.00 0.00 O ATOM 1229 CB ASP A 102 -3.022 3.431 9.200 1.00 0.00 C ATOM 1230 CG ASP A 102 -3.168 2.383 10.301 1.00 0.00 C ATOM 1231 OD1 ASP A 102 -4.308 1.924 10.561 1.00 0.00 O ATOM 1232 OD2 ASP A 102 -2.133 2.000 10.899 1.00 0.00 O ATOM 0 H ASP A 102 -2.915 5.931 8.044 1.00 0.00 H new ATOM 0 HA ASP A 102 -4.727 4.563 9.939 1.00 0.00 H new ATOM 0 HB2 ASP A 102 -3.439 3.041 8.272 1.00 0.00 H new ATOM 0 HB3 ASP A 102 -1.964 3.621 9.019 1.00 0.00 H new ATOM 1237 N ASP A 103 -2.472 6.676 10.478 1.00 0.00 N ATOM 1238 CA ASP A 103 -1.864 7.547 11.503 1.00 0.00 C ATOM 1239 C ASP A 103 -2.225 9.047 11.369 1.00 0.00 C ATOM 1240 O ASP A 103 -1.785 9.857 12.193 1.00 0.00 O ATOM 1241 CB ASP A 103 -0.339 7.350 11.501 1.00 0.00 C ATOM 1242 CG ASP A 103 0.389 8.130 10.399 1.00 0.00 C ATOM 1243 OD1 ASP A 103 -0.210 8.395 9.325 1.00 0.00 O ATOM 1244 OD2 ASP A 103 1.582 8.459 10.598 1.00 0.00 O ATOM 0 H ASP A 103 -2.434 7.078 9.541 1.00 0.00 H new ATOM 0 HA ASP A 103 -2.288 7.241 12.459 1.00 0.00 H new ATOM 0 HB2 ASP A 103 0.058 7.654 12.470 1.00 0.00 H new ATOM 0 HB3 ASP A 103 -0.120 6.288 11.386 1.00 0.00 H new ATOM 1249 N ASN A 104 -3.026 9.425 10.361 1.00 0.00 N ATOM 1250 CA ASN A 104 -3.433 10.805 10.060 1.00 0.00 C ATOM 1251 C ASN A 104 -4.900 10.874 9.617 1.00 0.00 C ATOM 1252 O ASN A 104 -5.587 11.841 10.015 1.00 0.00 O ATOM 1253 CB ASN A 104 -2.467 11.408 9.007 1.00 0.00 C ATOM 1254 CG ASN A 104 -2.520 12.928 8.844 1.00 0.00 C ATOM 1255 OD1 ASN A 104 -1.516 13.575 8.574 1.00 0.00 O ATOM 1256 ND2 ASN A 104 -3.660 13.566 8.965 1.00 0.00 N ATOM 0 H ASN A 104 -3.423 8.750 9.708 1.00 0.00 H new ATOM 0 HA ASN A 104 -3.366 11.406 10.967 1.00 0.00 H new ATOM 0 HB2 ASN A 104 -1.448 11.126 9.273 1.00 0.00 H new ATOM 0 HB3 ASN A 104 -2.682 10.951 8.041 1.00 0.00 H new ATOM 0 HD21 ASN A 104 -3.695 14.577 8.835 1.00 0.00 H new ATOM 0 HD22 ASN A 104 -4.511 13.051 9.189 1.00 0.00 H new TER 1263 ASN A 104