USER MOD reduce.3.24.130724 H: found=0, std=0, add=959, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 955 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 99 SER OG : rot 180:sc= -0.219 USER MOD Set 1.2: A 102 GLN : amide:sc= -2.77 X(o=-3,f=-2.8) USER MOD Set 2.1: A 79 CYS SG : rot 170:sc= -0.17 USER MOD Set 2.2: A 83 MET CE :methyl 151:sc= -1.51 (180deg=-2.04) USER MOD Set 3.1: A 46 ASN : amide:sc= -0.296 X(o=-0.3,f=0) USER MOD Set 3.2: A 56 TYR OH : rot 180:sc= 0 USER MOD Set 4.1: A 29 THR OG1 : rot -133:sc= -0.469 USER MOD Set 4.2: A 32 THR OG1 : rot 143:sc= 0.714 USER MOD Set 5.1: A 15 SER OG : rot -120:sc= 0.545 USER MOD Set 5.2: A 19 SER OG : rot 57:sc= 1.38 USER MOD Single : A 1 GLY N :NH3+ -135:sc= -0.0607 (180deg=-1.04) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 8 SER OG : rot 180:sc= -0.0166 USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 SER OG : rot 180:sc= -0.0165 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 26 CYS SG : rot 100:sc= 0.647 USER MOD Single : A 27 GLN : amide:sc= -0.94 K(o=-0.94,f=-2!) USER MOD Single : A 28 ASN : amide:sc= -0.0108 X(o=-0.011,f=0) USER MOD Single : A 37 SER OG : rot -86:sc= 1.66 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 THR OG1 : rot 76:sc= 0.123 USER MOD Single : A 43 TYR OH : rot 180:sc= -2.51! USER MOD Single : A 50 ASN : amide:sc= -0.176 X(o=-0.18,f=-0.18) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 137:sc= -0.92 (180deg=-4.22!) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 63 ASN : amide:sc= -1.42 K(o=-1.4,f=-6.6!) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0.155 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 68 THR OG1 : rot -29:sc= -0.291 USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 HIS : no HE2:sc= -0.677 K(o=-0.68,f=-4.5!) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 GLN : amide:sc= -0.596 K(o=-0.6,f=0) USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 115 SER OG : rot 180:sc= 0.0785 USER MOD Single : A 116 SER OG : rot 180:sc= 0 USER MOD Single : A 121 SER OG : rot 180:sc=-0.00156 USER MOD Single : A 122 SER OG : rot 180:sc= 0 USER MOD Single : A 123 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 124 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.109) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -6.788 -12.965 38.482 1.00 32.03 N ATOM 2 CA GLY A 1 -6.509 -13.512 37.168 1.00 75.42 C ATOM 3 C GLY A 1 -6.640 -12.475 36.069 1.00 34.23 C ATOM 4 O GLY A 1 -7.583 -12.493 35.278 1.00 64.34 O ATOM 0 H1 GLY A 1 -6.065 -13.292 39.155 1.00 32.03 H new ATOM 0 H2 GLY A 1 -6.774 -11.926 38.436 1.00 32.03 H new ATOM 0 H3 GLY A 1 -7.726 -13.284 38.799 1.00 32.03 H new ATOM 0 HA2 GLY A 1 -5.500 -13.924 37.156 1.00 75.42 H new ATOM 0 HA3 GLY A 1 -7.193 -14.337 36.968 1.00 75.42 H new ATOM 7 N PRO A 2 -5.677 -11.544 36.013 1.00 44.25 N ATOM 8 CA PRO A 2 -5.666 -10.478 35.007 1.00 51.30 C ATOM 9 C PRO A 2 -5.377 -11.003 33.605 1.00 55.03 C ATOM 10 O PRO A 2 -4.238 -11.336 33.279 1.00 4.20 O ATOM 11 CB PRO A 2 -4.535 -9.558 35.477 1.00 61.54 C ATOM 12 CG PRO A 2 -3.633 -10.441 36.268 1.00 63.35 C ATOM 13 CD PRO A 2 -4.524 -11.462 36.923 1.00 41.33 C ATOM 0 HA PRO A 2 -6.634 -9.983 34.930 1.00 51.30 H new ATOM 0 HB2 PRO A 2 -4.011 -9.111 34.632 1.00 61.54 H new ATOM 0 HB3 PRO A 2 -4.918 -8.738 36.084 1.00 61.54 H new ATOM 0 HG2 PRO A 2 -2.895 -10.922 35.625 1.00 63.35 H new ATOM 0 HG3 PRO A 2 -3.082 -9.868 37.014 1.00 63.35 H new ATOM 0 HD2 PRO A 2 -4.024 -12.425 37.025 1.00 41.33 H new ATOM 0 HD3 PRO A 2 -4.824 -11.151 37.924 1.00 41.33 H new ATOM 21 N LEU A 3 -6.417 -11.075 32.780 1.00 25.20 N ATOM 22 CA LEU A 3 -6.274 -11.561 31.413 1.00 63.43 C ATOM 23 C LEU A 3 -5.206 -10.771 30.662 1.00 51.12 C ATOM 24 O LEU A 3 -4.789 -9.699 31.100 1.00 34.23 O ATOM 25 CB LEU A 3 -7.610 -11.463 30.673 1.00 31.12 C ATOM 26 CG LEU A 3 -8.398 -10.171 30.883 1.00 54.44 C ATOM 27 CD1 LEU A 3 -8.773 -9.550 29.546 1.00 63.51 C ATOM 28 CD2 LEU A 3 -9.644 -10.435 31.717 1.00 53.53 C ATOM 0 H LEU A 3 -7.367 -10.803 33.034 1.00 25.20 H new ATOM 0 HA LEU A 3 -5.965 -12.605 31.456 1.00 63.43 H new ATOM 0 HB2 LEU A 3 -7.421 -11.581 29.606 1.00 31.12 H new ATOM 0 HB3 LEU A 3 -8.236 -12.301 30.981 1.00 31.12 H new ATOM 0 HG LEU A 3 -7.765 -9.467 31.423 1.00 54.44 H new ATOM 0 HD11 LEU A 3 -9.334 -8.631 29.716 1.00 63.51 H new ATOM 0 HD12 LEU A 3 -7.867 -9.324 28.983 1.00 63.51 H new ATOM 0 HD13 LEU A 3 -9.387 -10.250 28.979 1.00 63.51 H new ATOM 0 HD21 LEU A 3 -10.193 -9.504 31.856 1.00 53.53 H new ATOM 0 HD22 LEU A 3 -10.279 -11.157 31.204 1.00 53.53 H new ATOM 0 HD23 LEU A 3 -9.354 -10.834 32.689 1.00 53.53 H new ATOM 40 N GLY A 4 -4.766 -11.308 29.527 1.00 11.44 N ATOM 41 CA GLY A 4 -3.753 -10.639 28.734 1.00 64.24 C ATOM 42 C GLY A 4 -4.041 -10.707 27.247 1.00 61.13 C ATOM 43 O GLY A 4 -4.924 -10.011 26.746 1.00 13.22 O ATOM 0 H GLY A 4 -5.094 -12.195 29.144 1.00 11.44 H new ATOM 0 HA2 GLY A 4 -3.687 -9.595 29.041 1.00 64.24 H new ATOM 0 HA3 GLY A 4 -2.782 -11.092 28.934 1.00 64.24 H new ATOM 47 N SER A 5 -3.294 -11.549 26.539 1.00 71.31 N ATOM 48 CA SER A 5 -3.470 -11.702 25.101 1.00 60.55 C ATOM 49 C SER A 5 -2.797 -12.978 24.603 1.00 73.04 C ATOM 50 O SER A 5 -2.014 -13.599 25.321 1.00 43.23 O ATOM 51 CB SER A 5 -2.898 -10.489 24.363 1.00 32.44 C ATOM 52 OG SER A 5 -1.674 -10.073 24.940 1.00 3.52 O ATOM 0 H SER A 5 -2.561 -12.135 26.939 1.00 71.31 H new ATOM 0 HA SER A 5 -4.538 -11.772 24.897 1.00 60.55 H new ATOM 0 HB2 SER A 5 -2.743 -10.738 23.313 1.00 32.44 H new ATOM 0 HB3 SER A 5 -3.615 -9.669 24.394 1.00 32.44 H new ATOM 0 HG SER A 5 -1.328 -9.298 24.450 1.00 3.52 H new ATOM 58 N MET A 6 -3.108 -13.361 23.369 1.00 31.14 N ATOM 59 CA MET A 6 -2.533 -14.562 22.774 1.00 22.43 C ATOM 60 C MET A 6 -1.789 -14.228 21.486 1.00 41.23 C ATOM 61 O MET A 6 -2.085 -13.231 20.828 1.00 44.53 O ATOM 62 CB MET A 6 -3.628 -15.592 22.493 1.00 62.51 C ATOM 63 CG MET A 6 -4.817 -15.024 21.735 1.00 75.01 C ATOM 64 SD MET A 6 -6.074 -16.266 21.379 1.00 14.43 S ATOM 65 CE MET A 6 -7.356 -15.251 20.648 1.00 23.34 C ATOM 0 H MET A 6 -3.755 -12.857 22.762 1.00 31.14 H new ATOM 0 HA MET A 6 -1.821 -14.984 23.484 1.00 22.43 H new ATOM 0 HB2 MET A 6 -3.202 -16.416 21.920 1.00 62.51 H new ATOM 0 HB3 MET A 6 -3.976 -16.008 23.439 1.00 62.51 H new ATOM 0 HG2 MET A 6 -5.263 -14.219 22.318 1.00 75.01 H new ATOM 0 HG3 MET A 6 -4.470 -14.586 20.799 1.00 75.01 H new ATOM 0 HE1 MET A 6 -8.204 -15.878 20.374 1.00 23.34 H new ATOM 0 HE2 MET A 6 -7.679 -14.498 21.367 1.00 23.34 H new ATOM 0 HE3 MET A 6 -6.966 -14.758 19.757 1.00 23.34 H new ATOM 75 N ALA A 7 -0.820 -15.067 21.132 1.00 74.11 N ATOM 76 CA ALA A 7 -0.035 -14.861 19.922 1.00 54.24 C ATOM 77 C ALA A 7 -0.356 -15.920 18.871 1.00 55.51 C ATOM 78 O ALA A 7 -0.562 -17.088 19.199 1.00 61.23 O ATOM 79 CB ALA A 7 1.450 -14.872 20.248 1.00 44.12 C ATOM 0 H ALA A 7 -0.560 -15.896 21.667 1.00 74.11 H new ATOM 0 HA ALA A 7 -0.298 -13.887 19.510 1.00 54.24 H new ATOM 0 HB1 ALA A 7 2.024 -14.717 19.335 1.00 44.12 H new ATOM 0 HB2 ALA A 7 1.673 -14.074 20.957 1.00 44.12 H new ATOM 0 HB3 ALA A 7 1.719 -15.833 20.687 1.00 44.12 H new ATOM 85 N SER A 8 -0.397 -15.502 17.611 1.00 73.14 N ATOM 86 CA SER A 8 -0.697 -16.414 16.514 1.00 40.33 C ATOM 87 C SER A 8 -0.646 -15.687 15.173 1.00 42.25 C ATOM 88 O SER A 8 -1.367 -14.715 14.954 1.00 75.14 O ATOM 89 CB SER A 8 -2.077 -17.046 16.711 1.00 42.25 C ATOM 90 OG SER A 8 -2.970 -16.137 17.328 1.00 15.43 O ATOM 0 H SER A 8 -0.226 -14.538 17.324 1.00 73.14 H new ATOM 0 HA SER A 8 0.058 -17.200 16.511 1.00 40.33 H new ATOM 0 HB2 SER A 8 -2.479 -17.358 15.747 1.00 42.25 H new ATOM 0 HB3 SER A 8 -1.986 -17.943 17.323 1.00 42.25 H new ATOM 0 HG SER A 8 -3.845 -16.564 17.441 1.00 15.43 H new ATOM 96 N ALA A 9 0.213 -16.166 14.279 1.00 15.14 N ATOM 97 CA ALA A 9 0.358 -15.564 12.960 1.00 30.25 C ATOM 98 C ALA A 9 1.374 -16.329 12.117 1.00 43.41 C ATOM 99 O ALA A 9 2.380 -16.819 12.631 1.00 53.31 O ATOM 100 CB ALA A 9 0.767 -14.104 13.088 1.00 21.43 C ATOM 0 H ALA A 9 0.819 -16.970 14.445 1.00 15.14 H new ATOM 0 HA ALA A 9 -0.607 -15.616 12.455 1.00 30.25 H new ATOM 0 HB1 ALA A 9 0.872 -13.667 12.095 1.00 21.43 H new ATOM 0 HB2 ALA A 9 0.004 -13.560 13.645 1.00 21.43 H new ATOM 0 HB3 ALA A 9 1.718 -14.038 13.616 1.00 21.43 H new ATOM 106 N THR A 10 1.105 -16.427 10.820 1.00 51.14 N ATOM 107 CA THR A 10 1.995 -17.132 9.905 1.00 53.33 C ATOM 108 C THR A 10 2.358 -16.261 8.709 1.00 75.45 C ATOM 109 O THR A 10 1.482 -15.811 7.966 1.00 4.11 O ATOM 110 CB THR A 10 1.358 -18.440 9.399 1.00 73.10 C ATOM 111 OG1 THR A 10 -0.070 -18.325 9.412 1.00 65.43 O ATOM 112 CG2 THR A 10 1.785 -19.618 10.260 1.00 32.13 C ATOM 0 H THR A 10 0.277 -16.027 10.378 1.00 51.14 H new ATOM 0 HA THR A 10 2.900 -17.369 10.465 1.00 53.33 H new ATOM 0 HB THR A 10 1.699 -18.615 8.379 1.00 73.10 H new ATOM 0 HG1 THR A 10 -0.468 -19.160 9.087 1.00 65.43 H new ATOM 0 HG21 THR A 10 1.323 -20.530 9.883 1.00 32.13 H new ATOM 0 HG22 THR A 10 2.870 -19.720 10.225 1.00 32.13 H new ATOM 0 HG23 THR A 10 1.469 -19.450 11.290 1.00 32.13 H new ATOM 120 N LEU A 11 3.651 -16.024 8.525 1.00 41.21 N ATOM 121 CA LEU A 11 4.130 -15.205 7.416 1.00 43.00 C ATOM 122 C LEU A 11 4.984 -16.032 6.459 1.00 74.30 C ATOM 123 O LEU A 11 5.421 -17.133 6.792 1.00 13.30 O ATOM 124 CB LEU A 11 4.939 -14.020 7.944 1.00 41.04 C ATOM 125 CG LEU A 11 6.106 -14.362 8.870 1.00 44.10 C ATOM 126 CD1 LEU A 11 7.399 -14.474 8.078 1.00 3.53 C ATOM 127 CD2 LEU A 11 6.240 -13.316 9.968 1.00 4.33 C ATOM 0 H LEU A 11 4.388 -16.387 9.129 1.00 41.21 H new ATOM 0 HA LEU A 11 3.263 -14.831 6.871 1.00 43.00 H new ATOM 0 HB2 LEU A 11 5.329 -13.464 7.092 1.00 41.04 H new ATOM 0 HB3 LEU A 11 4.262 -13.353 8.477 1.00 41.04 H new ATOM 0 HG LEU A 11 5.905 -15.326 9.337 1.00 44.10 H new ATOM 0 HD11 LEU A 11 8.219 -14.718 8.753 1.00 3.53 H new ATOM 0 HD12 LEU A 11 7.300 -15.259 7.329 1.00 3.53 H new ATOM 0 HD13 LEU A 11 7.606 -13.525 7.583 1.00 3.53 H new ATOM 0 HD21 LEU A 11 7.076 -13.576 10.618 1.00 4.33 H new ATOM 0 HD22 LEU A 11 6.419 -12.339 9.520 1.00 4.33 H new ATOM 0 HD23 LEU A 11 5.321 -13.284 10.554 1.00 4.33 H new ATOM 139 N GLY A 12 5.220 -15.490 5.266 1.00 31.14 N ATOM 140 CA GLY A 12 6.022 -16.190 4.281 1.00 44.04 C ATOM 141 C GLY A 12 5.395 -16.167 2.901 1.00 0.32 C ATOM 142 O GLY A 12 4.390 -16.834 2.657 1.00 72.41 O ATOM 0 H GLY A 12 4.870 -14.580 4.966 1.00 31.14 H new ATOM 0 HA2 GLY A 12 7.012 -15.737 4.234 1.00 44.04 H new ATOM 0 HA3 GLY A 12 6.159 -17.224 4.597 1.00 44.04 H new ATOM 146 N SER A 13 5.989 -15.395 1.996 1.00 73.51 N ATOM 147 CA SER A 13 5.478 -15.281 0.635 1.00 24.54 C ATOM 148 C SER A 13 6.516 -14.641 -0.282 1.00 72.54 C ATOM 149 O SER A 13 7.477 -14.029 0.182 1.00 3.21 O ATOM 150 CB SER A 13 4.189 -14.460 0.617 1.00 33.12 C ATOM 151 OG SER A 13 4.466 -13.074 0.714 1.00 62.20 O ATOM 0 H SER A 13 6.824 -14.839 2.181 1.00 73.51 H new ATOM 0 HA SER A 13 5.264 -16.285 0.269 1.00 24.54 H new ATOM 0 HB2 SER A 13 3.639 -14.661 -0.302 1.00 33.12 H new ATOM 0 HB3 SER A 13 3.548 -14.765 1.445 1.00 33.12 H new ATOM 0 HG SER A 13 3.625 -12.571 0.699 1.00 62.20 H new ATOM 157 N SER A 14 6.313 -14.788 -1.588 1.00 53.00 N ATOM 158 CA SER A 14 7.232 -14.227 -2.573 1.00 22.11 C ATOM 159 C SER A 14 7.405 -12.726 -2.361 1.00 21.20 C ATOM 160 O SER A 14 6.432 -12.004 -2.138 1.00 3.52 O ATOM 161 CB SER A 14 6.722 -14.498 -3.989 1.00 21.02 C ATOM 162 OG SER A 14 5.854 -13.467 -4.425 1.00 65.32 O ATOM 0 H SER A 14 5.521 -15.290 -1.988 1.00 53.00 H new ATOM 0 HA SER A 14 8.201 -14.709 -2.445 1.00 22.11 H new ATOM 0 HB2 SER A 14 7.566 -14.580 -4.673 1.00 21.02 H new ATOM 0 HB3 SER A 14 6.198 -15.453 -4.013 1.00 21.02 H new ATOM 0 HG SER A 14 5.543 -13.663 -5.333 1.00 65.32 H new ATOM 168 N SER A 15 8.650 -12.265 -2.431 1.00 32.10 N ATOM 169 CA SER A 15 8.951 -10.851 -2.244 1.00 3.51 C ATOM 170 C SER A 15 10.296 -10.495 -2.872 1.00 74.04 C ATOM 171 O SER A 15 11.316 -11.121 -2.582 1.00 32.44 O ATOM 172 CB SER A 15 8.965 -10.504 -0.754 1.00 54.41 C ATOM 173 OG SER A 15 8.017 -11.281 -0.041 1.00 44.31 O ATOM 0 H SER A 15 9.465 -12.850 -2.616 1.00 32.10 H new ATOM 0 HA SER A 15 8.172 -10.270 -2.738 1.00 3.51 H new ATOM 0 HB2 SER A 15 9.961 -10.676 -0.347 1.00 54.41 H new ATOM 0 HB3 SER A 15 8.745 -9.445 -0.622 1.00 54.41 H new ATOM 0 HG SER A 15 7.370 -10.688 0.395 1.00 44.31 H new ATOM 179 N SER A 16 10.290 -9.484 -3.735 1.00 14.42 N ATOM 180 CA SER A 16 11.508 -9.046 -4.407 1.00 22.30 C ATOM 181 C SER A 16 12.622 -8.787 -3.399 1.00 4.33 C ATOM 182 O SER A 16 13.735 -9.293 -3.542 1.00 24.51 O ATOM 183 CB SER A 16 11.237 -7.781 -5.224 1.00 34.03 C ATOM 184 OG SER A 16 11.847 -7.856 -6.501 1.00 4.14 O ATOM 0 H SER A 16 9.456 -8.953 -3.985 1.00 14.42 H new ATOM 0 HA SER A 16 11.830 -9.842 -5.079 1.00 22.30 H new ATOM 0 HB2 SER A 16 10.162 -7.642 -5.339 1.00 34.03 H new ATOM 0 HB3 SER A 16 11.615 -6.911 -4.688 1.00 34.03 H new ATOM 0 HG SER A 16 11.657 -7.036 -7.003 1.00 4.14 H new ATOM 190 N SER A 17 12.315 -7.993 -2.378 1.00 52.24 N ATOM 191 CA SER A 17 13.291 -7.661 -1.347 1.00 40.31 C ATOM 192 C SER A 17 12.614 -7.498 0.010 1.00 74.33 C ATOM 193 O SER A 17 12.517 -6.392 0.540 1.00 52.35 O ATOM 194 CB SER A 17 14.037 -6.377 -1.715 1.00 73.10 C ATOM 195 OG SER A 17 14.917 -6.592 -2.805 1.00 11.32 O ATOM 0 H SER A 17 11.398 -7.568 -2.243 1.00 52.24 H new ATOM 0 HA SER A 17 14.006 -8.481 -1.281 1.00 40.31 H new ATOM 0 HB2 SER A 17 13.320 -5.597 -1.971 1.00 73.10 H new ATOM 0 HB3 SER A 17 14.601 -6.021 -0.853 1.00 73.10 H new ATOM 0 HG SER A 17 15.380 -5.756 -3.021 1.00 11.32 H new ATOM 201 N ALA A 18 12.145 -8.611 0.569 1.00 64.45 N ATOM 202 CA ALA A 18 11.479 -8.593 1.863 1.00 70.20 C ATOM 203 C ALA A 18 10.154 -7.839 1.789 1.00 23.12 C ATOM 204 O ALA A 18 10.053 -6.808 1.125 1.00 50.31 O ATOM 205 CB ALA A 18 12.384 -7.970 2.915 1.00 40.12 C ATOM 0 H ALA A 18 12.215 -9.535 0.144 1.00 64.45 H new ATOM 0 HA ALA A 18 11.266 -9.623 2.147 1.00 70.20 H new ATOM 0 HB1 ALA A 18 11.872 -7.963 3.877 1.00 40.12 H new ATOM 0 HB2 ALA A 18 13.302 -8.552 2.996 1.00 40.12 H new ATOM 0 HB3 ALA A 18 12.627 -6.947 2.626 1.00 40.12 H new ATOM 211 N SER A 19 9.143 -8.361 2.476 1.00 70.21 N ATOM 212 CA SER A 19 7.825 -7.739 2.484 1.00 62.03 C ATOM 213 C SER A 19 6.889 -8.462 3.448 1.00 71.42 C ATOM 214 O SER A 19 5.883 -9.052 3.052 1.00 42.30 O ATOM 215 CB SER A 19 7.227 -7.743 1.076 1.00 64.04 C ATOM 216 OG SER A 19 6.870 -9.055 0.676 1.00 43.40 O ATOM 0 H SER A 19 9.212 -9.212 3.034 1.00 70.21 H new ATOM 0 HA SER A 19 7.939 -6.708 2.820 1.00 62.03 H new ATOM 0 HB2 SER A 19 6.348 -7.100 1.049 1.00 64.04 H new ATOM 0 HB3 SER A 19 7.947 -7.328 0.371 1.00 64.04 H new ATOM 0 HG SER A 19 6.245 -9.437 1.327 1.00 43.40 H new ATOM 222 N PRO A 20 7.227 -8.417 4.745 1.00 30.35 N ATOM 223 CA PRO A 20 6.431 -9.062 5.792 1.00 34.14 C ATOM 224 C PRO A 20 5.092 -8.365 6.016 1.00 25.13 C ATOM 225 O PRO A 20 4.067 -9.018 6.206 1.00 14.05 O ATOM 226 CB PRO A 20 7.313 -8.936 7.037 1.00 5.51 C ATOM 227 CG PRO A 20 8.173 -7.748 6.774 1.00 63.55 C ATOM 228 CD PRO A 20 8.412 -7.733 5.288 1.00 51.22 C ATOM 0 HA PRO A 20 6.177 -10.090 5.535 1.00 34.14 H new ATOM 0 HB2 PRO A 20 6.712 -8.798 7.936 1.00 5.51 H new ATOM 0 HB3 PRO A 20 7.913 -9.833 7.189 1.00 5.51 H new ATOM 0 HG2 PRO A 20 7.683 -6.831 7.100 1.00 63.55 H new ATOM 0 HG3 PRO A 20 9.114 -7.818 7.320 1.00 63.55 H new ATOM 0 HD2 PRO A 20 8.500 -6.716 4.905 1.00 51.22 H new ATOM 0 HD3 PRO A 20 9.333 -8.253 5.024 1.00 51.22 H new ATOM 236 N ALA A 21 5.111 -7.037 5.991 1.00 43.34 N ATOM 237 CA ALA A 21 3.900 -6.252 6.189 1.00 74.35 C ATOM 238 C ALA A 21 2.862 -6.565 5.116 1.00 62.23 C ATOM 239 O ALA A 21 1.660 -6.582 5.386 1.00 53.32 O ATOM 240 CB ALA A 21 4.227 -4.766 6.192 1.00 44.23 C ATOM 0 H ALA A 21 5.953 -6.482 5.835 1.00 43.34 H new ATOM 0 HA ALA A 21 3.477 -6.521 7.157 1.00 74.35 H new ATOM 0 HB1 ALA A 21 3.312 -4.192 6.341 1.00 44.23 H new ATOM 0 HB2 ALA A 21 4.927 -4.549 6.999 1.00 44.23 H new ATOM 0 HB3 ALA A 21 4.677 -4.490 5.238 1.00 44.23 H new ATOM 246 N VAL A 22 3.333 -6.812 3.898 1.00 10.21 N ATOM 247 CA VAL A 22 2.446 -7.126 2.784 1.00 41.21 C ATOM 248 C VAL A 22 1.765 -8.475 2.986 1.00 21.32 C ATOM 249 O VAL A 22 0.552 -8.600 2.827 1.00 41.51 O ATOM 250 CB VAL A 22 3.209 -7.142 1.446 1.00 2.04 C ATOM 251 CG1 VAL A 22 2.236 -7.202 0.278 1.00 64.35 C ATOM 252 CG2 VAL A 22 4.115 -5.925 1.335 1.00 25.32 C ATOM 0 H VAL A 22 4.324 -6.801 3.657 1.00 10.21 H new ATOM 0 HA VAL A 22 1.689 -6.342 2.752 1.00 41.21 H new ATOM 0 HB VAL A 22 3.834 -8.035 1.414 1.00 2.04 H new ATOM 0 HG11 VAL A 22 2.793 -7.213 -0.659 1.00 64.35 H new ATOM 0 HG12 VAL A 22 1.634 -8.107 0.352 1.00 64.35 H new ATOM 0 HG13 VAL A 22 1.584 -6.329 0.303 1.00 64.35 H new ATOM 0 HG21 VAL A 22 4.646 -5.953 0.384 1.00 25.32 H new ATOM 0 HG22 VAL A 22 3.514 -5.018 1.389 1.00 25.32 H new ATOM 0 HG23 VAL A 22 4.835 -5.932 2.153 1.00 25.32 H new ATOM 262 N ALA A 23 2.556 -9.484 3.337 1.00 43.14 N ATOM 263 CA ALA A 23 2.031 -10.825 3.563 1.00 42.14 C ATOM 264 C ALA A 23 1.131 -10.862 4.792 1.00 41.40 C ATOM 265 O ALA A 23 0.107 -11.543 4.803 1.00 10.40 O ATOM 266 CB ALA A 23 3.172 -11.820 3.710 1.00 70.02 C ATOM 0 H ALA A 23 3.563 -9.398 3.471 1.00 43.14 H new ATOM 0 HA ALA A 23 1.430 -11.104 2.698 1.00 42.14 H new ATOM 0 HB1 ALA A 23 2.766 -12.817 3.878 1.00 70.02 H new ATOM 0 HB2 ALA A 23 3.773 -11.822 2.800 1.00 70.02 H new ATOM 0 HB3 ALA A 23 3.796 -11.535 4.557 1.00 70.02 H new ATOM 272 N GLU A 24 1.522 -10.124 5.828 1.00 11.01 N ATOM 273 CA GLU A 24 0.749 -10.074 7.064 1.00 60.41 C ATOM 274 C GLU A 24 -0.652 -9.527 6.808 1.00 13.53 C ATOM 275 O GLU A 24 -1.636 -10.028 7.354 1.00 52.32 O ATOM 276 CB GLU A 24 1.465 -9.210 8.104 1.00 21.31 C ATOM 277 CG GLU A 24 0.737 -9.132 9.435 1.00 14.11 C ATOM 278 CD GLU A 24 0.505 -10.496 10.054 1.00 43.21 C ATOM 279 OE1 GLU A 24 1.489 -11.117 10.510 1.00 71.24 O ATOM 280 OE2 GLU A 24 -0.660 -10.944 10.083 1.00 52.33 O ATOM 0 H GLU A 24 2.368 -9.554 5.835 1.00 11.01 H new ATOM 0 HA GLU A 24 0.658 -11.090 7.447 1.00 60.41 H new ATOM 0 HB2 GLU A 24 2.465 -9.610 8.269 1.00 21.31 H new ATOM 0 HB3 GLU A 24 1.586 -8.203 7.706 1.00 21.31 H new ATOM 0 HG2 GLU A 24 1.315 -8.517 10.125 1.00 14.11 H new ATOM 0 HG3 GLU A 24 -0.222 -8.634 9.292 1.00 14.11 H new ATOM 287 N LEU A 25 -0.735 -8.494 5.975 1.00 33.13 N ATOM 288 CA LEU A 25 -2.015 -7.877 5.647 1.00 11.11 C ATOM 289 C LEU A 25 -2.832 -8.774 4.722 1.00 44.30 C ATOM 290 O LEU A 25 -4.058 -8.829 4.818 1.00 32.45 O ATOM 291 CB LEU A 25 -1.792 -6.515 4.989 1.00 55.50 C ATOM 292 CG LEU A 25 -2.399 -6.333 3.598 1.00 25.31 C ATOM 293 CD1 LEU A 25 -3.907 -6.163 3.690 1.00 54.51 C ATOM 294 CD2 LEU A 25 -1.768 -5.143 2.890 1.00 13.02 C ATOM 0 H LEU A 25 0.069 -8.067 5.515 1.00 33.13 H new ATOM 0 HA LEU A 25 -2.572 -7.740 6.574 1.00 11.11 H new ATOM 0 HB2 LEU A 25 -2.200 -5.746 5.645 1.00 55.50 H new ATOM 0 HB3 LEU A 25 -0.719 -6.339 4.921 1.00 55.50 H new ATOM 0 HG LEU A 25 -2.191 -7.229 3.014 1.00 25.31 H new ATOM 0 HD11 LEU A 25 -4.320 -6.035 2.690 1.00 54.51 H new ATOM 0 HD12 LEU A 25 -4.345 -7.047 4.153 1.00 54.51 H new ATOM 0 HD13 LEU A 25 -4.138 -5.285 4.293 1.00 54.51 H new ATOM 0 HD21 LEU A 25 -2.213 -5.030 1.902 1.00 13.02 H new ATOM 0 HD22 LEU A 25 -1.943 -4.238 3.472 1.00 13.02 H new ATOM 0 HD23 LEU A 25 -0.695 -5.307 2.788 1.00 13.02 H new ATOM 306 N CYS A 26 -2.143 -9.475 3.829 1.00 43.25 N ATOM 307 CA CYS A 26 -2.804 -10.371 2.886 1.00 3.41 C ATOM 308 C CYS A 26 -3.412 -11.567 3.610 1.00 72.22 C ATOM 309 O CYS A 26 -4.234 -12.291 3.049 1.00 51.11 O ATOM 310 CB CYS A 26 -1.811 -10.852 1.827 1.00 22.02 C ATOM 311 SG CYS A 26 -2.570 -11.778 0.471 1.00 51.33 S ATOM 0 H CYS A 26 -1.128 -9.441 3.738 1.00 43.25 H new ATOM 0 HA CYS A 26 -3.606 -9.818 2.397 1.00 3.41 H new ATOM 0 HB2 CYS A 26 -1.288 -9.989 1.415 1.00 22.02 H new ATOM 0 HB3 CYS A 26 -1.060 -11.480 2.307 1.00 22.02 H new ATOM 0 HG CYS A 26 -2.712 -10.999 -0.560 1.00 51.33 H new ATOM 317 N GLN A 27 -3.004 -11.768 4.858 1.00 24.04 N ATOM 318 CA GLN A 27 -3.509 -12.878 5.658 1.00 40.15 C ATOM 319 C GLN A 27 -5.031 -12.840 5.742 1.00 1.15 C ATOM 320 O GLN A 27 -5.675 -13.865 5.957 1.00 62.14 O ATOM 321 CB GLN A 27 -2.907 -12.836 7.064 1.00 62.11 C ATOM 322 CG GLN A 27 -1.400 -13.035 7.088 1.00 75.21 C ATOM 323 CD GLN A 27 -0.889 -13.459 8.451 1.00 70.20 C ATOM 324 OE1 GLN A 27 -1.661 -13.884 9.311 1.00 41.31 O ATOM 325 NE2 GLN A 27 0.418 -13.347 8.654 1.00 12.11 N ATOM 0 H GLN A 27 -2.325 -11.177 5.338 1.00 24.04 H new ATOM 0 HA GLN A 27 -3.214 -13.808 5.172 1.00 40.15 H new ATOM 0 HB2 GLN A 27 -3.146 -11.877 7.524 1.00 62.11 H new ATOM 0 HB3 GLN A 27 -3.377 -13.608 7.674 1.00 62.11 H new ATOM 0 HG2 GLN A 27 -1.125 -13.789 6.350 1.00 75.21 H new ATOM 0 HG3 GLN A 27 -0.910 -12.107 6.793 1.00 75.21 H new ATOM 0 HE21 GLN A 27 1.020 -12.990 7.913 1.00 12.11 H new ATOM 0 HE22 GLN A 27 0.820 -13.618 9.551 1.00 12.11 H new ATOM 334 N ASN A 28 -5.599 -11.651 5.570 1.00 43.45 N ATOM 335 CA ASN A 28 -7.046 -11.480 5.627 1.00 54.24 C ATOM 336 C ASN A 28 -7.697 -11.910 4.316 1.00 55.11 C ATOM 337 O ASN A 28 -8.701 -12.623 4.313 1.00 53.14 O ATOM 338 CB ASN A 28 -7.396 -10.022 5.930 1.00 73.45 C ATOM 339 CG ASN A 28 -8.795 -9.868 6.493 1.00 14.14 C ATOM 340 OD1 ASN A 28 -9.681 -9.306 5.847 1.00 1.42 O ATOM 341 ND2 ASN A 28 -9.002 -10.369 7.707 1.00 53.05 N ATOM 0 H ASN A 28 -5.079 -10.792 5.390 1.00 43.45 H new ATOM 0 HA ASN A 28 -7.431 -12.113 6.427 1.00 54.24 H new ATOM 0 HB2 ASN A 28 -6.675 -9.618 6.641 1.00 73.45 H new ATOM 0 HB3 ASN A 28 -7.308 -9.433 5.017 1.00 73.45 H new ATOM 0 HD21 ASN A 28 -9.923 -10.296 8.139 1.00 53.05 H new ATOM 0 HD22 ASN A 28 -8.240 -10.827 8.207 1.00 53.05 H new ATOM 348 N THR A 29 -7.117 -11.472 3.202 1.00 53.21 N ATOM 349 CA THR A 29 -7.640 -11.810 1.885 1.00 73.52 C ATOM 350 C THR A 29 -6.723 -11.299 0.781 1.00 63.35 C ATOM 351 O THR A 29 -6.065 -10.267 0.915 1.00 5.12 O ATOM 352 CB THR A 29 -9.051 -11.228 1.674 1.00 34.21 C ATOM 353 OG1 THR A 29 -9.368 -10.317 2.732 1.00 60.04 O ATOM 354 CG2 THR A 29 -10.092 -12.337 1.624 1.00 14.35 C ATOM 0 H THR A 29 -6.285 -10.882 3.187 1.00 53.21 H new ATOM 0 HA THR A 29 -7.692 -12.898 1.836 1.00 73.52 H new ATOM 0 HB THR A 29 -9.063 -10.697 0.722 1.00 34.21 H new ATOM 0 HG1 THR A 29 -10.268 -10.509 3.070 1.00 60.04 H new ATOM 0 HG21 THR A 29 -11.080 -11.902 1.474 1.00 14.35 H new ATOM 0 HG22 THR A 29 -9.864 -13.013 0.800 1.00 14.35 H new ATOM 0 HG23 THR A 29 -10.078 -12.892 2.562 1.00 14.35 H new ATOM 362 N PRO A 30 -6.674 -12.037 -0.338 1.00 72.14 N ATOM 363 CA PRO A 30 -5.840 -11.675 -1.488 1.00 3.11 C ATOM 364 C PRO A 30 -6.353 -10.435 -2.211 1.00 12.14 C ATOM 365 O PRO A 30 -5.606 -9.483 -2.436 1.00 50.34 O ATOM 366 CB PRO A 30 -5.939 -12.902 -2.397 1.00 74.24 C ATOM 367 CG PRO A 30 -7.237 -13.537 -2.037 1.00 34.31 C ATOM 368 CD PRO A 30 -7.431 -13.278 -0.568 1.00 62.51 C ATOM 0 HA PRO A 30 -4.821 -11.428 -1.190 1.00 3.11 H new ATOM 0 HB2 PRO A 30 -5.916 -12.618 -3.449 1.00 74.24 H new ATOM 0 HB3 PRO A 30 -5.105 -13.585 -2.233 1.00 74.24 H new ATOM 0 HG2 PRO A 30 -8.054 -13.112 -2.620 1.00 34.31 H new ATOM 0 HG3 PRO A 30 -7.219 -14.607 -2.246 1.00 34.31 H new ATOM 0 HD2 PRO A 30 -8.485 -13.158 -0.317 1.00 62.51 H new ATOM 0 HD3 PRO A 30 -7.050 -14.099 0.039 1.00 62.51 H new ATOM 376 N GLU A 31 -7.634 -10.451 -2.569 1.00 53.33 N ATOM 377 CA GLU A 31 -8.246 -9.326 -3.266 1.00 3.55 C ATOM 378 C GLU A 31 -8.328 -8.102 -2.357 1.00 40.11 C ATOM 379 O GLU A 31 -8.174 -6.967 -2.809 1.00 60.21 O ATOM 380 CB GLU A 31 -9.644 -9.703 -3.760 1.00 15.55 C ATOM 381 CG GLU A 31 -10.292 -8.635 -4.625 1.00 44.22 C ATOM 382 CD GLU A 31 -10.175 -8.935 -6.107 1.00 4.04 C ATOM 383 OE1 GLU A 31 -9.273 -9.709 -6.487 1.00 4.35 O ATOM 384 OE2 GLU A 31 -10.987 -8.395 -6.888 1.00 10.34 O ATOM 0 H GLU A 31 -8.267 -11.230 -2.388 1.00 53.33 H new ATOM 0 HA GLU A 31 -7.620 -9.079 -4.123 1.00 3.55 H new ATOM 0 HB2 GLU A 31 -9.581 -10.631 -4.329 1.00 15.55 H new ATOM 0 HB3 GLU A 31 -10.284 -9.899 -2.900 1.00 15.55 H new ATOM 0 HG2 GLU A 31 -11.345 -8.546 -4.358 1.00 44.22 H new ATOM 0 HG3 GLU A 31 -9.827 -7.672 -4.415 1.00 44.22 H new ATOM 391 N THR A 32 -8.571 -8.342 -1.072 1.00 41.21 N ATOM 392 CA THR A 32 -8.674 -7.261 -0.101 1.00 33.13 C ATOM 393 C THR A 32 -7.341 -6.542 0.067 1.00 33.11 C ATOM 394 O THR A 32 -7.288 -5.312 0.105 1.00 73.44 O ATOM 395 CB THR A 32 -9.140 -7.784 1.272 1.00 2.22 C ATOM 396 OG1 THR A 32 -10.440 -8.371 1.159 1.00 73.40 O ATOM 397 CG2 THR A 32 -9.174 -6.659 2.297 1.00 42.15 C ATOM 0 H THR A 32 -8.700 -9.275 -0.680 1.00 41.21 H new ATOM 0 HA THR A 32 -9.414 -6.559 -0.486 1.00 33.13 H new ATOM 0 HB THR A 32 -8.429 -8.539 1.607 1.00 2.22 H new ATOM 0 HG1 THR A 32 -10.499 -9.151 1.749 1.00 73.40 H new ATOM 0 HG21 THR A 32 -9.506 -7.052 3.258 1.00 42.15 H new ATOM 0 HG22 THR A 32 -8.176 -6.234 2.404 1.00 42.15 H new ATOM 0 HG23 THR A 32 -9.865 -5.884 1.964 1.00 42.15 H new ATOM 405 N PHE A 33 -6.265 -7.314 0.167 1.00 4.15 N ATOM 406 CA PHE A 33 -4.931 -6.751 0.331 1.00 21.04 C ATOM 407 C PHE A 33 -4.496 -6.008 -0.928 1.00 73.13 C ATOM 408 O PHE A 33 -3.882 -4.942 -0.854 1.00 72.40 O ATOM 409 CB PHE A 33 -3.923 -7.855 0.658 1.00 31.14 C ATOM 410 CG PHE A 33 -2.774 -7.923 -0.306 1.00 55.42 C ATOM 411 CD1 PHE A 33 -1.721 -7.027 -0.212 1.00 51.11 C ATOM 412 CD2 PHE A 33 -2.745 -8.882 -1.305 1.00 53.11 C ATOM 413 CE1 PHE A 33 -0.663 -7.086 -1.099 1.00 3.54 C ATOM 414 CE2 PHE A 33 -1.689 -8.946 -2.194 1.00 42.42 C ATOM 415 CZ PHE A 33 -0.646 -8.048 -2.089 1.00 44.53 C ATOM 0 H PHE A 33 -6.291 -8.333 0.137 1.00 4.15 H new ATOM 0 HA PHE A 33 -4.963 -6.042 1.158 1.00 21.04 H new ATOM 0 HB2 PHE A 33 -3.534 -7.694 1.663 1.00 31.14 H new ATOM 0 HB3 PHE A 33 -4.438 -8.816 0.665 1.00 31.14 H new ATOM 0 HD1 PHE A 33 -1.727 -6.275 0.563 1.00 51.11 H new ATOM 0 HD2 PHE A 33 -3.558 -9.588 -1.390 1.00 53.11 H new ATOM 0 HE1 PHE A 33 0.150 -6.380 -1.018 1.00 3.54 H new ATOM 0 HE2 PHE A 33 -1.680 -9.697 -2.970 1.00 42.42 H new ATOM 0 HZ PHE A 33 0.182 -8.098 -2.780 1.00 44.53 H new ATOM 425 N LEU A 34 -4.819 -6.577 -2.084 1.00 73.35 N ATOM 426 CA LEU A 34 -4.463 -5.969 -3.362 1.00 54.44 C ATOM 427 C LEU A 34 -5.077 -4.579 -3.494 1.00 40.32 C ATOM 428 O LEU A 34 -4.397 -3.623 -3.864 1.00 52.12 O ATOM 429 CB LEU A 34 -4.926 -6.856 -4.518 1.00 71.11 C ATOM 430 CG LEU A 34 -3.858 -7.230 -5.548 1.00 61.20 C ATOM 431 CD1 LEU A 34 -4.361 -8.336 -6.461 1.00 74.40 C ATOM 432 CD2 LEU A 34 -3.451 -6.010 -6.360 1.00 51.43 C ATOM 0 H LEU A 34 -5.327 -7.458 -2.163 1.00 73.35 H new ATOM 0 HA LEU A 34 -3.378 -5.871 -3.400 1.00 54.44 H new ATOM 0 HB2 LEU A 34 -5.338 -7.775 -4.102 1.00 71.11 H new ATOM 0 HB3 LEU A 34 -5.739 -6.348 -5.036 1.00 71.11 H new ATOM 0 HG LEU A 34 -2.980 -7.597 -5.016 1.00 61.20 H new ATOM 0 HD11 LEU A 34 -3.588 -8.588 -7.187 1.00 74.40 H new ATOM 0 HD12 LEU A 34 -4.602 -9.217 -5.866 1.00 74.40 H new ATOM 0 HD13 LEU A 34 -5.254 -7.997 -6.986 1.00 74.40 H new ATOM 0 HD21 LEU A 34 -2.691 -6.294 -7.088 1.00 51.43 H new ATOM 0 HD22 LEU A 34 -4.322 -5.613 -6.881 1.00 51.43 H new ATOM 0 HD23 LEU A 34 -3.048 -5.247 -5.694 1.00 51.43 H new ATOM 444 N GLU A 35 -6.366 -4.476 -3.187 1.00 35.32 N ATOM 445 CA GLU A 35 -7.071 -3.202 -3.272 1.00 22.54 C ATOM 446 C GLU A 35 -6.682 -2.287 -2.113 1.00 61.43 C ATOM 447 O GLU A 35 -6.432 -1.098 -2.306 1.00 14.44 O ATOM 448 CB GLU A 35 -8.585 -3.431 -3.270 1.00 41.41 C ATOM 449 CG GLU A 35 -9.240 -3.177 -4.616 1.00 50.14 C ATOM 450 CD GLU A 35 -8.614 -3.989 -5.733 1.00 42.40 C ATOM 451 OE1 GLU A 35 -8.496 -5.223 -5.575 1.00 50.51 O ATOM 452 OE2 GLU A 35 -8.239 -3.392 -6.763 1.00 50.33 O ATOM 0 H GLU A 35 -6.943 -5.258 -2.878 1.00 35.32 H new ATOM 0 HA GLU A 35 -6.785 -2.718 -4.206 1.00 22.54 H new ATOM 0 HB2 GLU A 35 -8.788 -4.457 -2.964 1.00 41.41 H new ATOM 0 HB3 GLU A 35 -9.042 -2.780 -2.525 1.00 41.41 H new ATOM 0 HG2 GLU A 35 -10.302 -3.415 -4.550 1.00 50.14 H new ATOM 0 HG3 GLU A 35 -9.166 -2.117 -4.857 1.00 50.14 H new ATOM 459 N ALA A 36 -6.634 -2.852 -0.912 1.00 21.12 N ATOM 460 CA ALA A 36 -6.274 -2.090 0.276 1.00 12.24 C ATOM 461 C ALA A 36 -4.854 -1.545 0.171 1.00 63.33 C ATOM 462 O ALA A 36 -4.522 -0.529 0.781 1.00 41.41 O ATOM 463 CB ALA A 36 -6.418 -2.953 1.522 1.00 53.14 C ATOM 0 H ALA A 36 -6.840 -3.835 -0.736 1.00 21.12 H new ATOM 0 HA ALA A 36 -6.956 -1.243 0.352 1.00 12.24 H new ATOM 0 HB1 ALA A 36 -6.146 -2.370 2.402 1.00 53.14 H new ATOM 0 HB2 ALA A 36 -7.451 -3.289 1.615 1.00 53.14 H new ATOM 0 HB3 ALA A 36 -5.761 -3.819 1.443 1.00 53.14 H new ATOM 469 N SER A 37 -4.021 -2.227 -0.607 1.00 4.11 N ATOM 470 CA SER A 37 -2.633 -1.815 -0.790 1.00 15.30 C ATOM 471 C SER A 37 -2.511 -0.815 -1.936 1.00 65.43 C ATOM 472 O SER A 37 -1.786 0.175 -1.838 1.00 13.41 O ATOM 473 CB SER A 37 -1.747 -3.032 -1.060 1.00 75.43 C ATOM 474 OG SER A 37 -2.115 -3.669 -2.272 1.00 2.22 O ATOM 0 H SER A 37 -4.282 -3.068 -1.122 1.00 4.11 H new ATOM 0 HA SER A 37 -2.299 -1.331 0.128 1.00 15.30 H new ATOM 0 HB2 SER A 37 -0.703 -2.722 -1.110 1.00 75.43 H new ATOM 0 HB3 SER A 37 -1.831 -3.738 -0.234 1.00 75.43 H new ATOM 0 HG SER A 37 -2.835 -4.311 -2.099 1.00 2.22 H new ATOM 480 N LYS A 38 -3.225 -1.084 -3.025 1.00 52.52 N ATOM 481 CA LYS A 38 -3.197 -0.210 -4.192 1.00 30.34 C ATOM 482 C LYS A 38 -3.518 1.229 -3.801 1.00 3.14 C ATOM 483 O LYS A 38 -2.910 2.172 -4.312 1.00 63.55 O ATOM 484 CB LYS A 38 -4.197 -0.699 -5.243 1.00 12.21 C ATOM 485 CG LYS A 38 -3.828 -0.306 -6.662 1.00 23.41 C ATOM 486 CD LYS A 38 -5.055 0.075 -7.473 1.00 65.12 C ATOM 487 CE LYS A 38 -5.134 1.578 -7.690 1.00 54.12 C ATOM 488 NZ LYS A 38 -5.877 1.920 -8.934 1.00 54.15 N ATOM 0 H LYS A 38 -3.829 -1.900 -3.123 1.00 52.52 H new ATOM 0 HA LYS A 38 -2.192 -0.238 -4.613 1.00 30.34 H new ATOM 0 HB2 LYS A 38 -4.272 -1.785 -5.183 1.00 12.21 H new ATOM 0 HB3 LYS A 38 -5.183 -0.298 -5.009 1.00 12.21 H new ATOM 0 HG2 LYS A 38 -3.132 0.532 -6.639 1.00 23.41 H new ATOM 0 HG3 LYS A 38 -3.313 -1.135 -7.148 1.00 23.41 H new ATOM 0 HD2 LYS A 38 -5.027 -0.432 -8.437 1.00 65.12 H new ATOM 0 HD3 LYS A 38 -5.953 -0.267 -6.959 1.00 65.12 H new ATOM 0 HE2 LYS A 38 -5.624 2.043 -6.835 1.00 54.12 H new ATOM 0 HE3 LYS A 38 -4.127 1.991 -7.744 1.00 54.12 H new ATOM 0 HZ1 LYS A 38 -5.909 2.953 -9.046 1.00 54.15 H new ATOM 0 HZ2 LYS A 38 -5.395 1.497 -9.753 1.00 54.15 H new ATOM 0 HZ3 LYS A 38 -6.846 1.548 -8.873 1.00 54.15 H new ATOM 502 N LEU A 39 -4.473 1.392 -2.893 1.00 2.42 N ATOM 503 CA LEU A 39 -4.872 2.718 -2.432 1.00 64.00 C ATOM 504 C LEU A 39 -3.694 3.453 -1.800 1.00 23.24 C ATOM 505 O LEU A 39 -3.455 4.626 -2.085 1.00 72.13 O ATOM 506 CB LEU A 39 -6.018 2.606 -1.426 1.00 12.34 C ATOM 507 CG LEU A 39 -7.409 2.376 -2.016 1.00 12.12 C ATOM 508 CD1 LEU A 39 -8.045 1.132 -1.416 1.00 20.23 C ATOM 509 CD2 LEU A 39 -8.294 3.592 -1.785 1.00 74.01 C ATOM 0 H LEU A 39 -4.986 0.623 -2.461 1.00 2.42 H new ATOM 0 HA LEU A 39 -5.210 3.289 -3.296 1.00 64.00 H new ATOM 0 HB2 LEU A 39 -5.796 1.787 -0.742 1.00 12.34 H new ATOM 0 HB3 LEU A 39 -6.044 3.519 -0.832 1.00 12.34 H new ATOM 0 HG LEU A 39 -7.306 2.224 -3.090 1.00 12.12 H new ATOM 0 HD11 LEU A 39 -9.035 0.985 -1.848 1.00 20.23 H new ATOM 0 HD12 LEU A 39 -7.422 0.264 -1.632 1.00 20.23 H new ATOM 0 HD13 LEU A 39 -8.135 1.254 -0.337 1.00 20.23 H new ATOM 0 HD21 LEU A 39 -9.280 3.410 -2.212 1.00 74.01 H new ATOM 0 HD22 LEU A 39 -8.390 3.774 -0.715 1.00 74.01 H new ATOM 0 HD23 LEU A 39 -7.847 4.464 -2.263 1.00 74.01 H new ATOM 521 N LEU A 40 -2.961 2.753 -0.942 1.00 2.44 N ATOM 522 CA LEU A 40 -1.805 3.337 -0.269 1.00 54.13 C ATOM 523 C LEU A 40 -0.734 3.741 -1.278 1.00 55.40 C ATOM 524 O LEU A 40 -0.157 4.825 -1.187 1.00 5.21 O ATOM 525 CB LEU A 40 -1.222 2.347 0.741 1.00 50.21 C ATOM 526 CG LEU A 40 -2.237 1.555 1.566 1.00 74.21 C ATOM 527 CD1 LEU A 40 -1.537 0.771 2.665 1.00 71.14 C ATOM 528 CD2 LEU A 40 -3.286 2.487 2.159 1.00 2.12 C ATOM 0 H LEU A 40 -3.146 1.781 -0.695 1.00 2.44 H new ATOM 0 HA LEU A 40 -2.137 4.231 0.259 1.00 54.13 H new ATOM 0 HB2 LEU A 40 -0.590 1.640 0.204 1.00 50.21 H new ATOM 0 HB3 LEU A 40 -0.576 2.896 1.426 1.00 50.21 H new ATOM 0 HG LEU A 40 -2.739 0.847 0.906 1.00 74.21 H new ATOM 0 HD11 LEU A 40 -2.276 0.214 3.241 1.00 71.14 H new ATOM 0 HD12 LEU A 40 -0.825 0.076 2.219 1.00 71.14 H new ATOM 0 HD13 LEU A 40 -1.008 1.460 3.323 1.00 71.14 H new ATOM 0 HD21 LEU A 40 -4.000 1.906 2.743 1.00 2.12 H new ATOM 0 HD22 LEU A 40 -2.800 3.219 2.804 1.00 2.12 H new ATOM 0 HD23 LEU A 40 -3.810 3.004 1.355 1.00 2.12 H new ATOM 540 N LEU A 41 -0.477 2.862 -2.241 1.00 41.43 N ATOM 541 CA LEU A 41 0.524 3.128 -3.270 1.00 32.22 C ATOM 542 C LEU A 41 0.194 4.406 -4.034 1.00 34.34 C ATOM 543 O LEU A 41 1.075 5.218 -4.318 1.00 51.00 O ATOM 544 CB LEU A 41 0.611 1.948 -4.240 1.00 24.24 C ATOM 545 CG LEU A 41 1.003 2.290 -5.678 1.00 23.55 C ATOM 546 CD1 LEU A 41 2.392 2.907 -5.720 1.00 24.01 C ATOM 547 CD2 LEU A 41 0.942 1.048 -6.555 1.00 65.44 C ATOM 0 H LEU A 41 -0.946 1.961 -2.331 1.00 41.43 H new ATOM 0 HA LEU A 41 1.488 3.260 -2.779 1.00 32.22 H new ATOM 0 HB2 LEU A 41 1.334 1.233 -3.847 1.00 24.24 H new ATOM 0 HB3 LEU A 41 -0.356 1.446 -4.258 1.00 24.24 H new ATOM 0 HG LEU A 41 0.292 3.020 -6.065 1.00 23.55 H new ATOM 0 HD11 LEU A 41 2.654 3.144 -6.751 1.00 24.01 H new ATOM 0 HD12 LEU A 41 2.403 3.820 -5.124 1.00 24.01 H new ATOM 0 HD13 LEU A 41 3.116 2.200 -5.315 1.00 24.01 H new ATOM 0 HD21 LEU A 41 1.224 1.309 -7.575 1.00 65.44 H new ATOM 0 HD22 LEU A 41 1.630 0.296 -6.169 1.00 65.44 H new ATOM 0 HD23 LEU A 41 -0.072 0.648 -6.550 1.00 65.44 H new ATOM 559 N THR A 42 -1.082 4.580 -4.363 1.00 20.45 N ATOM 560 CA THR A 42 -1.529 5.760 -5.093 1.00 2.03 C ATOM 561 C THR A 42 -1.375 7.020 -4.248 1.00 24.10 C ATOM 562 O THR A 42 -0.956 8.065 -4.746 1.00 3.02 O ATOM 563 CB THR A 42 -3.000 5.625 -5.530 1.00 63.22 C ATOM 564 OG1 THR A 42 -3.147 4.514 -6.422 1.00 41.44 O ATOM 565 CG2 THR A 42 -3.480 6.897 -6.212 1.00 44.13 C ATOM 0 H THR A 42 -1.824 3.919 -4.135 1.00 20.45 H new ATOM 0 HA THR A 42 -0.900 5.841 -5.979 1.00 2.03 H new ATOM 0 HB THR A 42 -3.607 5.457 -4.640 1.00 63.22 H new ATOM 0 HG1 THR A 42 -3.110 3.678 -5.912 1.00 41.44 H new ATOM 0 HG21 THR A 42 -4.521 6.778 -6.512 1.00 44.13 H new ATOM 0 HG22 THR A 42 -3.395 7.735 -5.520 1.00 44.13 H new ATOM 0 HG23 THR A 42 -2.868 7.090 -7.093 1.00 44.13 H new ATOM 573 N TYR A 43 -1.715 6.913 -2.968 1.00 3.32 N ATOM 574 CA TYR A 43 -1.616 8.046 -2.055 1.00 4.22 C ATOM 575 C TYR A 43 -0.163 8.482 -1.883 1.00 65.25 C ATOM 576 O TYR A 43 0.145 9.674 -1.894 1.00 34.53 O ATOM 577 CB TYR A 43 -2.215 7.686 -0.695 1.00 21.43 C ATOM 578 CG TYR A 43 -3.719 7.528 -0.719 1.00 1.22 C ATOM 579 CD1 TYR A 43 -4.520 8.416 -1.425 1.00 43.14 C ATOM 580 CD2 TYR A 43 -4.339 6.490 -0.034 1.00 71.43 C ATOM 581 CE1 TYR A 43 -5.894 8.277 -1.448 1.00 43.42 C ATOM 582 CE2 TYR A 43 -5.713 6.343 -0.053 1.00 21.34 C ATOM 583 CZ TYR A 43 -6.485 7.238 -0.762 1.00 33.43 C ATOM 584 OH TYR A 43 -7.854 7.095 -0.783 1.00 63.24 O ATOM 0 H TYR A 43 -2.061 6.054 -2.540 1.00 3.32 H new ATOM 0 HA TYR A 43 -2.178 8.876 -2.484 1.00 4.22 H new ATOM 0 HB2 TYR A 43 -1.766 6.757 -0.344 1.00 21.43 H new ATOM 0 HB3 TYR A 43 -1.951 8.460 0.026 1.00 21.43 H new ATOM 0 HD1 TYR A 43 -4.060 9.230 -1.966 1.00 43.14 H new ATOM 0 HD2 TYR A 43 -3.737 5.787 0.522 1.00 71.43 H new ATOM 0 HE1 TYR A 43 -6.502 8.978 -2.000 1.00 43.42 H new ATOM 0 HE2 TYR A 43 -6.179 5.531 0.485 1.00 21.34 H new ATOM 0 HH TYR A 43 -8.109 6.313 -0.251 1.00 63.24 H new ATOM 594 N ALA A 44 0.726 7.506 -1.727 1.00 54.41 N ATOM 595 CA ALA A 44 2.145 7.788 -1.555 1.00 22.31 C ATOM 596 C ALA A 44 2.748 8.364 -2.832 1.00 44.31 C ATOM 597 O ALA A 44 3.704 9.138 -2.784 1.00 63.41 O ATOM 598 CB ALA A 44 2.888 6.524 -1.143 1.00 52.34 C ATOM 0 H ALA A 44 0.488 6.514 -1.716 1.00 54.41 H new ATOM 0 HA ALA A 44 2.250 8.532 -0.766 1.00 22.31 H new ATOM 0 HB1 ALA A 44 3.947 6.749 -1.018 1.00 52.34 H new ATOM 0 HB2 ALA A 44 2.482 6.154 -0.202 1.00 52.34 H new ATOM 0 HB3 ALA A 44 2.767 5.763 -1.914 1.00 52.34 H new ATOM 604 N ASP A 45 2.184 7.982 -3.973 1.00 12.23 N ATOM 605 CA ASP A 45 2.667 8.462 -5.263 1.00 31.13 C ATOM 606 C ASP A 45 2.622 9.985 -5.327 1.00 61.24 C ATOM 607 O ASP A 45 3.497 10.616 -5.917 1.00 42.13 O ATOM 608 CB ASP A 45 1.831 7.867 -6.396 1.00 62.53 C ATOM 609 CG ASP A 45 2.635 6.935 -7.283 1.00 41.40 C ATOM 610 OD1 ASP A 45 3.014 5.845 -6.807 1.00 31.02 O ATOM 611 OD2 ASP A 45 2.887 7.299 -8.450 1.00 23.45 O ATOM 0 H ASP A 45 1.392 7.342 -4.031 1.00 12.23 H new ATOM 0 HA ASP A 45 3.703 8.142 -5.378 1.00 31.13 H new ATOM 0 HB2 ASP A 45 0.987 7.323 -5.973 1.00 62.53 H new ATOM 0 HB3 ASP A 45 1.419 8.674 -7.002 1.00 62.53 H new ATOM 616 N ASN A 46 1.596 10.568 -4.716 1.00 75.14 N ATOM 617 CA ASN A 46 1.436 12.018 -4.707 1.00 12.52 C ATOM 618 C ASN A 46 2.542 12.681 -3.890 1.00 32.50 C ATOM 619 O ASN A 46 3.171 13.639 -4.342 1.00 71.41 O ATOM 620 CB ASN A 46 0.068 12.398 -4.135 1.00 20.13 C ATOM 621 CG ASN A 46 -1.073 11.972 -5.039 1.00 10.42 C ATOM 622 OD1 ASN A 46 -2.024 11.330 -4.594 1.00 3.11 O ATOM 623 ND2 ASN A 46 -0.983 12.330 -6.314 1.00 63.12 N ATOM 0 H ASN A 46 0.863 10.059 -4.221 1.00 75.14 H new ATOM 0 HA ASN A 46 1.504 12.373 -5.735 1.00 12.52 H new ATOM 0 HB2 ASN A 46 -0.055 11.935 -3.156 1.00 20.13 H new ATOM 0 HB3 ASN A 46 0.026 13.477 -3.985 1.00 20.13 H new ATOM 0 HD21 ASN A 46 -1.721 12.073 -6.969 1.00 63.12 H new ATOM 0 HD22 ASN A 46 -0.176 12.862 -6.639 1.00 63.12 H new ATOM 630 N ILE A 47 2.774 12.165 -2.688 1.00 24.35 N ATOM 631 CA ILE A 47 3.805 12.704 -1.811 1.00 73.33 C ATOM 632 C ILE A 47 5.196 12.477 -2.392 1.00 41.00 C ATOM 633 O ILE A 47 6.054 13.361 -2.344 1.00 34.12 O ATOM 634 CB ILE A 47 3.738 12.073 -0.408 1.00 31.55 C ATOM 635 CG1 ILE A 47 2.422 12.442 0.279 1.00 12.23 C ATOM 636 CG2 ILE A 47 4.924 12.521 0.433 1.00 50.14 C ATOM 637 CD1 ILE A 47 1.334 11.405 0.100 1.00 2.51 C ATOM 0 H ILE A 47 2.261 11.374 -2.299 1.00 24.35 H new ATOM 0 HA ILE A 47 3.619 13.775 -1.728 1.00 73.33 H new ATOM 0 HB ILE A 47 3.781 10.989 -0.512 1.00 31.55 H new ATOM 0 HG12 ILE A 47 2.605 12.584 1.344 1.00 12.23 H new ATOM 0 HG13 ILE A 47 2.071 13.396 -0.114 1.00 12.23 H new ATOM 0 HG21 ILE A 47 4.862 12.066 1.422 1.00 50.14 H new ATOM 0 HG22 ILE A 47 5.851 12.212 -0.051 1.00 50.14 H new ATOM 0 HG23 ILE A 47 4.911 13.606 0.532 1.00 50.14 H new ATOM 0 HD11 ILE A 47 0.430 11.733 0.614 1.00 2.51 H new ATOM 0 HD12 ILE A 47 1.123 11.279 -0.962 1.00 2.51 H new ATOM 0 HD13 ILE A 47 1.665 10.455 0.519 1.00 2.51 H new ATOM 649 N LEU A 48 5.414 11.289 -2.944 1.00 1.14 N ATOM 650 CA LEU A 48 6.701 10.945 -3.538 1.00 34.32 C ATOM 651 C LEU A 48 6.947 11.752 -4.810 1.00 24.24 C ATOM 652 O LEU A 48 8.084 12.104 -5.124 1.00 32.24 O ATOM 653 CB LEU A 48 6.758 9.449 -3.849 1.00 60.34 C ATOM 654 CG LEU A 48 6.613 8.508 -2.653 1.00 61.22 C ATOM 655 CD1 LEU A 48 6.195 7.121 -3.114 1.00 14.00 C ATOM 656 CD2 LEU A 48 7.913 8.442 -1.865 1.00 23.33 C ATOM 0 H LEU A 48 4.716 10.547 -2.993 1.00 1.14 H new ATOM 0 HA LEU A 48 7.483 11.189 -2.819 1.00 34.32 H new ATOM 0 HB2 LEU A 48 5.970 9.217 -4.566 1.00 60.34 H new ATOM 0 HB3 LEU A 48 7.708 9.236 -4.340 1.00 60.34 H new ATOM 0 HG LEU A 48 5.835 8.900 -1.998 1.00 61.22 H new ATOM 0 HD11 LEU A 48 6.097 6.465 -2.249 1.00 14.00 H new ATOM 0 HD12 LEU A 48 5.239 7.183 -3.633 1.00 14.00 H new ATOM 0 HD13 LEU A 48 6.950 6.720 -3.790 1.00 14.00 H new ATOM 0 HD21 LEU A 48 7.791 7.768 -1.017 1.00 23.33 H new ATOM 0 HD22 LEU A 48 8.711 8.074 -2.510 1.00 23.33 H new ATOM 0 HD23 LEU A 48 8.170 9.437 -1.502 1.00 23.33 H new ATOM 668 N ARG A 49 5.873 12.042 -5.537 1.00 60.20 N ATOM 669 CA ARG A 49 5.972 12.807 -6.774 1.00 21.44 C ATOM 670 C ARG A 49 6.302 14.268 -6.484 1.00 32.42 C ATOM 671 O ARG A 49 7.128 14.875 -7.164 1.00 5.23 O ATOM 672 CB ARG A 49 4.663 12.714 -7.561 1.00 41.33 C ATOM 673 CG ARG A 49 4.580 11.492 -8.460 1.00 31.30 C ATOM 674 CD ARG A 49 3.136 11.111 -8.749 1.00 12.01 C ATOM 675 NE ARG A 49 2.867 11.023 -10.181 1.00 10.52 N ATOM 676 CZ ARG A 49 3.326 10.047 -10.956 1.00 64.33 C ATOM 677 NH1 ARG A 49 4.070 9.080 -10.438 1.00 64.23 N ATOM 678 NH2 ARG A 49 3.039 10.036 -12.252 1.00 10.24 N ATOM 0 H ARG A 49 4.925 11.759 -5.291 1.00 60.20 H new ATOM 0 HA ARG A 49 6.778 12.383 -7.372 1.00 21.44 H new ATOM 0 HB2 ARG A 49 3.828 12.697 -6.861 1.00 41.33 H new ATOM 0 HB3 ARG A 49 4.550 13.611 -8.170 1.00 41.33 H new ATOM 0 HG2 ARG A 49 5.099 11.692 -9.397 1.00 31.30 H new ATOM 0 HG3 ARG A 49 5.091 10.654 -7.985 1.00 31.30 H new ATOM 0 HD2 ARG A 49 2.913 10.153 -8.279 1.00 12.01 H new ATOM 0 HD3 ARG A 49 2.470 11.848 -8.300 1.00 12.01 H new ATOM 0 HE ARG A 49 2.295 11.751 -10.610 1.00 10.52 H new ATOM 0 HH11 ARG A 49 4.291 9.084 -9.442 1.00 64.23 H new ATOM 0 HH12 ARG A 49 4.421 8.331 -11.035 1.00 64.23 H new ATOM 0 HH21 ARG A 49 2.465 10.778 -12.654 1.00 10.24 H new ATOM 0 HH22 ARG A 49 3.392 9.286 -12.846 1.00 10.24 H new ATOM 692 N ASN A 50 5.649 14.826 -5.471 1.00 53.43 N ATOM 693 CA ASN A 50 5.871 16.218 -5.092 1.00 24.31 C ATOM 694 C ASN A 50 5.985 16.357 -3.578 1.00 13.21 C ATOM 695 O ASN A 50 5.128 16.945 -2.917 1.00 2.41 O ATOM 696 CB ASN A 50 4.734 17.099 -5.613 1.00 11.34 C ATOM 697 CG ASN A 50 4.303 16.717 -7.016 1.00 21.42 C ATOM 698 OD1 ASN A 50 4.987 17.022 -7.992 1.00 72.10 O ATOM 699 ND2 ASN A 50 3.162 16.045 -7.121 1.00 22.33 N ATOM 0 H ASN A 50 4.962 14.337 -4.897 1.00 53.43 H new ATOM 0 HA ASN A 50 6.809 16.546 -5.541 1.00 24.31 H new ATOM 0 HB2 ASN A 50 3.880 17.021 -4.940 1.00 11.34 H new ATOM 0 HB3 ASN A 50 5.053 18.141 -5.605 1.00 11.34 H new ATOM 0 HD21 ASN A 50 2.820 15.760 -8.039 1.00 22.33 H new ATOM 0 HD22 ASN A 50 2.627 15.814 -6.284 1.00 22.33 H new ATOM 706 N PRO A 51 7.067 15.804 -3.011 1.00 1.32 N ATOM 707 CA PRO A 51 7.320 15.854 -1.568 1.00 51.41 C ATOM 708 C PRO A 51 7.667 17.260 -1.089 1.00 11.21 C ATOM 709 O PRO A 51 7.452 17.599 0.075 1.00 52.41 O ATOM 710 CB PRO A 51 8.516 14.918 -1.384 1.00 31.25 C ATOM 711 CG PRO A 51 9.209 14.924 -2.703 1.00 0.45 C ATOM 712 CD PRO A 51 8.130 15.088 -3.737 1.00 33.13 C ATOM 0 HA PRO A 51 6.442 15.565 -0.991 1.00 51.41 H new ATOM 0 HB2 PRO A 51 9.174 15.269 -0.589 1.00 31.25 H new ATOM 0 HB3 PRO A 51 8.194 13.913 -1.111 1.00 31.25 H new ATOM 0 HG2 PRO A 51 9.932 15.738 -2.760 1.00 0.45 H new ATOM 0 HG3 PRO A 51 9.761 13.997 -2.858 1.00 0.45 H new ATOM 0 HD2 PRO A 51 8.482 15.657 -4.598 1.00 33.13 H new ATOM 0 HD3 PRO A 51 7.783 14.125 -4.111 1.00 33.13 H new ATOM 720 N SER A 52 8.203 18.073 -1.993 1.00 54.32 N ATOM 721 CA SER A 52 8.582 19.442 -1.661 1.00 34.21 C ATOM 722 C SER A 52 7.349 20.334 -1.545 1.00 1.14 C ATOM 723 O SER A 52 7.359 21.332 -0.824 1.00 13.13 O ATOM 724 CB SER A 52 9.532 20.002 -2.721 1.00 64.32 C ATOM 725 OG SER A 52 10.641 20.649 -2.123 1.00 33.24 O ATOM 0 H SER A 52 8.385 17.808 -2.961 1.00 54.32 H new ATOM 0 HA SER A 52 9.091 19.428 -0.698 1.00 34.21 H new ATOM 0 HB2 SER A 52 9.882 19.194 -3.363 1.00 64.32 H new ATOM 0 HB3 SER A 52 8.996 20.706 -3.358 1.00 64.32 H new ATOM 0 HG SER A 52 11.233 20.996 -2.822 1.00 33.24 H new ATOM 731 N ASP A 53 6.291 19.966 -2.259 1.00 21.00 N ATOM 732 CA ASP A 53 5.050 20.732 -2.235 1.00 63.43 C ATOM 733 C ASP A 53 4.234 20.406 -0.988 1.00 24.14 C ATOM 734 O ASP A 53 3.568 19.374 -0.924 1.00 60.52 O ATOM 735 CB ASP A 53 4.224 20.443 -3.490 1.00 63.44 C ATOM 736 CG ASP A 53 4.187 21.622 -4.442 1.00 74.24 C ATOM 737 OD1 ASP A 53 3.450 22.589 -4.159 1.00 51.50 O ATOM 738 OD2 ASP A 53 4.892 21.577 -5.471 1.00 42.43 O ATOM 0 H ASP A 53 6.268 19.143 -2.861 1.00 21.00 H new ATOM 0 HA ASP A 53 5.306 21.791 -2.213 1.00 63.43 H new ATOM 0 HB2 ASP A 53 4.641 19.577 -4.004 1.00 63.44 H new ATOM 0 HB3 ASP A 53 3.206 20.182 -3.200 1.00 63.44 H new ATOM 743 N GLU A 54 4.294 21.294 0.000 1.00 20.31 N ATOM 744 CA GLU A 54 3.561 21.097 1.245 1.00 15.54 C ATOM 745 C GLU A 54 2.065 20.949 0.979 1.00 0.30 C ATOM 746 O GLU A 54 1.335 20.371 1.784 1.00 73.52 O ATOM 747 CB GLU A 54 3.807 22.270 2.197 1.00 71.35 C ATOM 748 CG GLU A 54 5.120 22.175 2.955 1.00 21.45 C ATOM 749 CD GLU A 54 5.613 23.523 3.444 1.00 64.34 C ATOM 750 OE1 GLU A 54 4.837 24.498 3.375 1.00 21.34 O ATOM 751 OE2 GLU A 54 6.775 23.601 3.894 1.00 24.11 O ATOM 0 H GLU A 54 4.841 22.154 -0.037 1.00 20.31 H new ATOM 0 HA GLU A 54 3.922 20.179 1.708 1.00 15.54 H new ATOM 0 HB2 GLU A 54 3.793 23.199 1.627 1.00 71.35 H new ATOM 0 HB3 GLU A 54 2.987 22.324 2.913 1.00 71.35 H new ATOM 0 HG2 GLU A 54 4.995 21.507 3.808 1.00 21.45 H new ATOM 0 HG3 GLU A 54 5.876 21.729 2.309 1.00 21.45 H new ATOM 758 N LYS A 55 1.617 21.477 -0.154 1.00 64.15 N ATOM 759 CA LYS A 55 0.209 21.405 -0.527 1.00 64.25 C ATOM 760 C LYS A 55 -0.217 19.959 -0.760 1.00 34.33 C ATOM 761 O LYS A 55 -1.396 19.621 -0.635 1.00 43.42 O ATOM 762 CB LYS A 55 -0.048 22.232 -1.790 1.00 14.21 C ATOM 763 CG LYS A 55 0.823 21.830 -2.968 1.00 54.31 C ATOM 764 CD LYS A 55 0.228 20.657 -3.726 1.00 32.33 C ATOM 765 CE LYS A 55 0.329 20.855 -5.230 1.00 54.05 C ATOM 766 NZ LYS A 55 1.684 20.517 -5.745 1.00 0.51 N ATOM 0 H LYS A 55 2.208 21.960 -0.831 1.00 64.15 H new ATOM 0 HA LYS A 55 -0.381 21.813 0.294 1.00 64.25 H new ATOM 0 HB2 LYS A 55 -1.096 22.132 -2.073 1.00 14.21 H new ATOM 0 HB3 LYS A 55 0.122 23.285 -1.566 1.00 14.21 H new ATOM 0 HG2 LYS A 55 0.939 22.679 -3.642 1.00 54.31 H new ATOM 0 HG3 LYS A 55 1.819 21.567 -2.612 1.00 54.31 H new ATOM 0 HD2 LYS A 55 0.745 19.740 -3.443 1.00 32.33 H new ATOM 0 HD3 LYS A 55 -0.818 20.533 -3.444 1.00 32.33 H new ATOM 0 HE2 LYS A 55 -0.414 20.233 -5.729 1.00 54.05 H new ATOM 0 HE3 LYS A 55 0.095 21.891 -5.476 1.00 54.05 H new ATOM 0 HZ1 LYS A 55 1.594 19.972 -6.626 1.00 0.51 H new ATOM 0 HZ2 LYS A 55 2.213 21.393 -5.932 1.00 0.51 H new ATOM 0 HZ3 LYS A 55 2.193 19.950 -5.037 1.00 0.51 H new ATOM 780 N TYR A 56 0.746 19.109 -1.097 1.00 11.33 N ATOM 781 CA TYR A 56 0.469 17.699 -1.347 1.00 14.10 C ATOM 782 C TYR A 56 0.830 16.850 -0.133 1.00 23.33 C ATOM 783 O TYR A 56 0.950 15.627 -0.230 1.00 44.41 O ATOM 784 CB TYR A 56 1.247 17.215 -2.572 1.00 61.15 C ATOM 785 CG TYR A 56 0.362 16.768 -3.714 1.00 53.43 C ATOM 786 CD1 TYR A 56 -0.705 15.905 -3.496 1.00 42.00 C ATOM 787 CD2 TYR A 56 0.591 17.211 -5.011 1.00 11.23 C ATOM 788 CE1 TYR A 56 -1.517 15.494 -4.535 1.00 43.44 C ATOM 789 CE2 TYR A 56 -0.216 16.807 -6.057 1.00 44.20 C ATOM 790 CZ TYR A 56 -1.267 15.947 -5.814 1.00 74.04 C ATOM 791 OH TYR A 56 -2.073 15.541 -6.853 1.00 11.23 O ATOM 0 H TYR A 56 1.726 19.371 -1.204 1.00 11.33 H new ATOM 0 HA TYR A 56 -0.599 17.592 -1.537 1.00 14.10 H new ATOM 0 HB2 TYR A 56 1.897 18.018 -2.920 1.00 61.15 H new ATOM 0 HB3 TYR A 56 1.893 16.387 -2.278 1.00 61.15 H new ATOM 0 HD1 TYR A 56 -0.903 15.549 -2.496 1.00 42.00 H new ATOM 0 HD2 TYR A 56 1.414 17.883 -5.205 1.00 11.23 H new ATOM 0 HE1 TYR A 56 -2.342 14.823 -4.348 1.00 43.44 H new ATOM 0 HE2 TYR A 56 -0.025 17.162 -7.059 1.00 44.20 H new ATOM 0 HH TYR A 56 -1.763 15.951 -7.687 1.00 11.23 H new ATOM 801 N ARG A 57 1.001 17.505 1.010 1.00 64.01 N ATOM 802 CA ARG A 57 1.349 16.810 2.244 1.00 14.41 C ATOM 803 C ARG A 57 0.124 16.134 2.851 1.00 75.00 C ATOM 804 O ARG A 57 0.222 15.441 3.864 1.00 64.24 O ATOM 805 CB ARG A 57 1.956 17.790 3.252 1.00 60.52 C ATOM 806 CG ARG A 57 0.920 18.598 4.015 1.00 52.32 C ATOM 807 CD ARG A 57 1.557 19.767 4.751 1.00 31.44 C ATOM 808 NE ARG A 57 0.562 20.733 5.207 1.00 2.10 N ATOM 809 CZ ARG A 57 0.796 21.638 6.152 1.00 42.21 C ATOM 810 NH1 ARG A 57 1.985 21.698 6.736 1.00 14.30 N ATOM 811 NH2 ARG A 57 -0.159 22.484 6.513 1.00 40.22 N ATOM 0 H ARG A 57 0.904 18.516 1.108 1.00 64.01 H new ATOM 0 HA ARG A 57 2.085 16.042 2.004 1.00 14.41 H new ATOM 0 HB2 ARG A 57 2.567 17.234 3.963 1.00 60.52 H new ATOM 0 HB3 ARG A 57 2.622 18.474 2.725 1.00 60.52 H new ATOM 0 HG2 ARG A 57 0.165 18.970 3.322 1.00 52.32 H new ATOM 0 HG3 ARG A 57 0.407 17.953 4.729 1.00 52.32 H new ATOM 0 HD2 ARG A 57 2.119 19.394 5.607 1.00 31.44 H new ATOM 0 HD3 ARG A 57 2.270 20.264 4.094 1.00 31.44 H new ATOM 0 HE ARG A 57 -0.363 20.712 4.777 1.00 2.10 H new ATOM 0 HH11 ARG A 57 2.722 21.049 6.460 1.00 14.30 H new ATOM 0 HH12 ARG A 57 2.163 22.393 7.461 1.00 14.30 H new ATOM 0 HH21 ARG A 57 -1.075 22.441 6.065 1.00 40.22 H new ATOM 0 HH22 ARG A 57 0.022 23.178 7.238 1.00 40.22 H new ATOM 825 N SER A 58 -1.031 16.342 2.226 1.00 74.52 N ATOM 826 CA SER A 58 -2.277 15.756 2.707 1.00 24.11 C ATOM 827 C SER A 58 -2.924 14.894 1.626 1.00 14.31 C ATOM 828 O SER A 58 -2.648 15.059 0.438 1.00 15.23 O ATOM 829 CB SER A 58 -3.245 16.855 3.148 1.00 22.15 C ATOM 830 OG SER A 58 -2.607 17.780 4.011 1.00 51.21 O ATOM 0 H SER A 58 -1.130 16.912 1.386 1.00 74.52 H new ATOM 0 HA SER A 58 -2.046 15.122 3.563 1.00 24.11 H new ATOM 0 HB2 SER A 58 -3.631 17.377 2.272 1.00 22.15 H new ATOM 0 HB3 SER A 58 -4.100 16.409 3.656 1.00 22.15 H new ATOM 0 HG SER A 58 -3.246 18.473 4.277 1.00 51.21 H new ATOM 836 N ILE A 59 -3.787 13.976 2.050 1.00 50.25 N ATOM 837 CA ILE A 59 -4.475 13.090 1.119 1.00 34.13 C ATOM 838 C ILE A 59 -5.969 13.030 1.420 1.00 32.12 C ATOM 839 O ILE A 59 -6.382 12.544 2.473 1.00 21.03 O ATOM 840 CB ILE A 59 -3.896 11.664 1.168 1.00 61.34 C ATOM 841 CG1 ILE A 59 -3.581 11.267 2.611 1.00 25.13 C ATOM 842 CG2 ILE A 59 -2.648 11.570 0.302 1.00 25.45 C ATOM 843 CD1 ILE A 59 -3.230 9.803 2.771 1.00 14.21 C ATOM 0 H ILE A 59 -4.026 13.827 3.030 1.00 50.25 H new ATOM 0 HA ILE A 59 -4.324 13.501 0.121 1.00 34.13 H new ATOM 0 HB ILE A 59 -4.640 10.971 0.775 1.00 61.34 H new ATOM 0 HG12 ILE A 59 -2.751 11.873 2.973 1.00 25.13 H new ATOM 0 HG13 ILE A 59 -4.442 11.497 3.239 1.00 25.13 H new ATOM 0 HG21 ILE A 59 -2.250 10.556 0.346 1.00 25.45 H new ATOM 0 HG22 ILE A 59 -2.901 11.815 -0.729 1.00 25.45 H new ATOM 0 HG23 ILE A 59 -1.898 12.271 0.668 1.00 25.45 H new ATOM 0 HD11 ILE A 59 -3.018 9.592 3.819 1.00 14.21 H new ATOM 0 HD12 ILE A 59 -4.068 9.190 2.439 1.00 14.21 H new ATOM 0 HD13 ILE A 59 -2.351 9.572 2.170 1.00 14.21 H new ATOM 855 N ARG A 60 -6.775 13.527 0.487 1.00 33.42 N ATOM 856 CA ARG A 60 -8.224 13.529 0.651 1.00 33.24 C ATOM 857 C ARG A 60 -8.796 12.129 0.450 1.00 34.35 C ATOM 858 O ARG A 60 -8.519 11.473 -0.555 1.00 41.43 O ATOM 859 CB ARG A 60 -8.869 14.503 -0.336 1.00 73.11 C ATOM 860 CG ARG A 60 -8.612 14.153 -1.792 1.00 3.54 C ATOM 861 CD ARG A 60 -8.045 15.339 -2.558 1.00 21.02 C ATOM 862 NE ARG A 60 -8.865 16.537 -2.396 1.00 12.33 N ATOM 863 CZ ARG A 60 -10.032 16.717 -3.006 1.00 21.13 C ATOM 864 NH1 ARG A 60 -10.512 15.782 -3.813 1.00 32.40 N ATOM 865 NH2 ARG A 60 -10.720 17.835 -2.808 1.00 33.24 N ATOM 0 H ARG A 60 -6.449 13.933 -0.390 1.00 33.42 H new ATOM 0 HA ARG A 60 -8.449 13.851 1.668 1.00 33.24 H new ATOM 0 HB2 ARG A 60 -9.945 14.526 -0.161 1.00 73.11 H new ATOM 0 HB3 ARG A 60 -8.493 15.507 -0.141 1.00 73.11 H new ATOM 0 HG2 ARG A 60 -7.917 13.316 -1.849 1.00 3.54 H new ATOM 0 HG3 ARG A 60 -9.542 13.828 -2.259 1.00 3.54 H new ATOM 0 HD2 ARG A 60 -7.032 15.543 -2.212 1.00 21.02 H new ATOM 0 HD3 ARG A 60 -7.976 15.087 -3.616 1.00 21.02 H new ATOM 0 HE ARG A 60 -8.523 17.276 -1.781 1.00 12.33 H new ATOM 0 HH11 ARG A 60 -9.986 14.922 -3.967 1.00 32.40 H new ATOM 0 HH12 ARG A 60 -11.408 15.922 -4.280 1.00 32.40 H new ATOM 0 HH21 ARG A 60 -10.353 18.557 -2.187 1.00 33.24 H new ATOM 0 HH22 ARG A 60 -11.616 17.972 -3.277 1.00 33.24 H new ATOM 879 N ILE A 61 -9.594 11.677 1.412 1.00 53.33 N ATOM 880 CA ILE A 61 -10.206 10.356 1.338 1.00 41.34 C ATOM 881 C ILE A 61 -11.626 10.376 1.892 1.00 42.02 C ATOM 882 O ILE A 61 -11.919 9.739 2.903 1.00 60.12 O ATOM 883 CB ILE A 61 -9.381 9.311 2.111 1.00 24.51 C ATOM 884 CG1 ILE A 61 -9.094 9.803 3.531 1.00 4.12 C ATOM 885 CG2 ILE A 61 -8.082 9.012 1.375 1.00 12.15 C ATOM 886 CD1 ILE A 61 -9.274 8.737 4.588 1.00 31.42 C ATOM 0 H ILE A 61 -9.832 12.206 2.251 1.00 53.33 H new ATOM 0 HA ILE A 61 -10.234 10.079 0.284 1.00 41.34 H new ATOM 0 HB ILE A 61 -9.960 8.390 2.177 1.00 24.51 H new ATOM 0 HG12 ILE A 61 -8.072 10.179 3.577 1.00 4.12 H new ATOM 0 HG13 ILE A 61 -9.753 10.641 3.756 1.00 4.12 H new ATOM 0 HG21 ILE A 61 -7.509 8.272 1.934 1.00 12.15 H new ATOM 0 HG22 ILE A 61 -8.308 8.623 0.382 1.00 12.15 H new ATOM 0 HG23 ILE A 61 -7.498 9.927 1.282 1.00 12.15 H new ATOM 0 HD11 ILE A 61 -9.054 9.157 5.569 1.00 31.42 H new ATOM 0 HD12 ILE A 61 -10.303 8.377 4.570 1.00 31.42 H new ATOM 0 HD13 ILE A 61 -8.596 7.908 4.388 1.00 31.42 H new ATOM 898 N GLY A 62 -12.507 11.112 1.222 1.00 54.32 N ATOM 899 CA GLY A 62 -13.888 11.200 1.661 1.00 54.35 C ATOM 900 C GLY A 62 -14.768 10.143 1.025 1.00 45.12 C ATOM 901 O GLY A 62 -15.927 9.983 1.401 1.00 34.41 O ATOM 0 H GLY A 62 -12.289 11.649 0.383 1.00 54.32 H new ATOM 0 HA2 GLY A 62 -13.928 11.097 2.745 1.00 54.35 H new ATOM 0 HA3 GLY A 62 -14.280 12.188 1.420 1.00 54.35 H new ATOM 905 N ASN A 63 -14.215 9.419 0.056 1.00 5.21 N ATOM 906 CA ASN A 63 -14.958 8.372 -0.635 1.00 50.40 C ATOM 907 C ASN A 63 -15.598 7.410 0.362 1.00 42.33 C ATOM 908 O ASN A 63 -14.923 6.859 1.232 1.00 14.30 O ATOM 909 CB ASN A 63 -14.033 7.603 -1.581 1.00 32.51 C ATOM 910 CG ASN A 63 -12.798 7.073 -0.880 1.00 1.05 C ATOM 911 OD1 ASN A 63 -12.781 5.939 -0.400 1.00 40.13 O ATOM 912 ND2 ASN A 63 -11.756 7.895 -0.815 1.00 61.34 N ATOM 0 H ASN A 63 -13.255 9.539 -0.268 1.00 5.21 H new ATOM 0 HA ASN A 63 -15.750 8.845 -1.215 1.00 50.40 H new ATOM 0 HB2 ASN A 63 -14.581 6.771 -2.023 1.00 32.51 H new ATOM 0 HB3 ASN A 63 -13.730 8.257 -2.399 1.00 32.51 H new ATOM 0 HD21 ASN A 63 -10.897 7.595 -0.353 1.00 61.34 H new ATOM 0 HD22 ASN A 63 -11.815 8.826 -1.227 1.00 61.34 H new ATOM 919 N THR A 64 -16.907 7.215 0.229 1.00 23.32 N ATOM 920 CA THR A 64 -17.639 6.320 1.117 1.00 42.25 C ATOM 921 C THR A 64 -17.019 4.928 1.129 1.00 11.23 C ATOM 922 O THR A 64 -17.117 4.203 2.119 1.00 2.35 O ATOM 923 CB THR A 64 -19.119 6.208 0.705 1.00 41.43 C ATOM 924 OG1 THR A 64 -19.339 6.908 -0.524 1.00 62.53 O ATOM 925 CG2 THR A 64 -20.026 6.774 1.787 1.00 25.03 C ATOM 0 H THR A 64 -17.481 7.664 -0.484 1.00 23.32 H new ATOM 0 HA THR A 64 -17.579 6.749 2.117 1.00 42.25 H new ATOM 0 HB THR A 64 -19.357 5.153 0.569 1.00 41.43 H new ATOM 0 HG1 THR A 64 -20.282 6.831 -0.780 1.00 62.53 H new ATOM 0 HG21 THR A 64 -21.066 6.684 1.474 1.00 25.03 H new ATOM 0 HG22 THR A 64 -19.877 6.220 2.714 1.00 25.03 H new ATOM 0 HG23 THR A 64 -19.786 7.825 1.950 1.00 25.03 H new ATOM 933 N ALA A 65 -16.381 4.560 0.023 1.00 22.42 N ATOM 934 CA ALA A 65 -15.743 3.254 -0.092 1.00 44.41 C ATOM 935 C ALA A 65 -14.668 3.073 0.974 1.00 21.35 C ATOM 936 O ALA A 65 -14.442 1.964 1.460 1.00 5.32 O ATOM 937 CB ALA A 65 -15.146 3.078 -1.481 1.00 32.11 C ATOM 0 H ALA A 65 -16.292 5.148 -0.806 1.00 22.42 H new ATOM 0 HA ALA A 65 -16.505 2.490 0.063 1.00 44.41 H new ATOM 0 HB1 ALA A 65 -14.673 2.099 -1.552 1.00 32.11 H new ATOM 0 HB2 ALA A 65 -15.935 3.155 -2.229 1.00 32.11 H new ATOM 0 HB3 ALA A 65 -14.401 3.854 -1.658 1.00 32.11 H new ATOM 943 N PHE A 66 -14.007 4.169 1.335 1.00 3.24 N ATOM 944 CA PHE A 66 -12.954 4.130 2.343 1.00 71.45 C ATOM 945 C PHE A 66 -13.513 3.701 3.697 1.00 53.11 C ATOM 946 O PHE A 66 -12.927 2.865 4.386 1.00 54.52 O ATOM 947 CB PHE A 66 -12.285 5.499 2.464 1.00 4.11 C ATOM 948 CG PHE A 66 -11.425 5.639 3.688 1.00 52.53 C ATOM 949 CD1 PHE A 66 -11.978 6.028 4.898 1.00 43.30 C ATOM 950 CD2 PHE A 66 -10.064 5.383 3.628 1.00 55.52 C ATOM 951 CE1 PHE A 66 -11.189 6.159 6.025 1.00 33.22 C ATOM 952 CE2 PHE A 66 -9.271 5.514 4.752 1.00 21.25 C ATOM 953 CZ PHE A 66 -9.834 5.900 5.953 1.00 42.33 C ATOM 0 H PHE A 66 -14.182 5.095 0.944 1.00 3.24 H new ATOM 0 HA PHE A 66 -12.211 3.397 2.029 1.00 71.45 H new ATOM 0 HB2 PHE A 66 -11.675 5.676 1.578 1.00 4.11 H new ATOM 0 HB3 PHE A 66 -13.055 6.271 2.480 1.00 4.11 H new ATOM 0 HD1 PHE A 66 -13.037 6.231 4.961 1.00 43.30 H new ATOM 0 HD2 PHE A 66 -9.619 5.078 2.693 1.00 55.52 H new ATOM 0 HE1 PHE A 66 -11.632 6.464 6.962 1.00 33.22 H new ATOM 0 HE2 PHE A 66 -8.211 5.315 4.692 1.00 21.25 H new ATOM 0 HZ PHE A 66 -9.216 5.999 6.833 1.00 42.33 H new ATOM 963 N SER A 67 -14.649 4.281 4.070 1.00 31.53 N ATOM 964 CA SER A 67 -15.285 3.963 5.343 1.00 55.42 C ATOM 965 C SER A 67 -15.914 2.573 5.306 1.00 44.53 C ATOM 966 O SER A 67 -16.146 1.954 6.345 1.00 64.51 O ATOM 967 CB SER A 67 -16.353 5.008 5.679 1.00 44.03 C ATOM 968 OG SER A 67 -17.456 4.415 6.343 1.00 64.41 O ATOM 0 H SER A 67 -15.147 4.973 3.510 1.00 31.53 H new ATOM 0 HA SER A 67 -14.517 3.975 6.116 1.00 55.42 H new ATOM 0 HB2 SER A 67 -15.920 5.785 6.309 1.00 44.03 H new ATOM 0 HB3 SER A 67 -16.693 5.492 4.764 1.00 44.03 H new ATOM 0 HG SER A 67 -18.123 5.103 6.548 1.00 64.41 H new ATOM 974 N THR A 68 -16.186 2.087 4.099 1.00 30.33 N ATOM 975 CA THR A 68 -16.787 0.770 3.924 1.00 73.11 C ATOM 976 C THR A 68 -15.726 -0.322 3.913 1.00 25.12 C ATOM 977 O THR A 68 -15.963 -1.437 4.382 1.00 54.02 O ATOM 978 CB THR A 68 -17.600 0.693 2.618 1.00 62.25 C ATOM 979 OG1 THR A 68 -16.722 0.774 1.489 1.00 3.22 O ATOM 980 CG2 THR A 68 -18.624 1.817 2.549 1.00 44.13 C ATOM 0 H THR A 68 -16.000 2.585 3.229 1.00 30.33 H new ATOM 0 HA THR A 68 -17.456 0.613 4.770 1.00 73.11 H new ATOM 0 HB THR A 68 -18.128 -0.260 2.602 1.00 62.25 H new ATOM 0 HG1 THR A 68 -15.927 1.294 1.730 1.00 3.22 H new ATOM 0 HG21 THR A 68 -19.185 1.741 1.618 1.00 44.13 H new ATOM 0 HG22 THR A 68 -19.309 1.738 3.393 1.00 44.13 H new ATOM 0 HG23 THR A 68 -18.112 2.779 2.587 1.00 44.13 H new ATOM 988 N ARG A 69 -14.554 0.002 3.377 1.00 20.33 N ATOM 989 CA ARG A 69 -13.455 -0.953 3.306 1.00 64.43 C ATOM 990 C ARG A 69 -12.111 -0.233 3.253 1.00 0.41 C ATOM 991 O ARG A 69 -11.578 0.033 2.175 1.00 51.02 O ATOM 992 CB ARG A 69 -13.612 -1.853 2.078 1.00 71.12 C ATOM 993 CG ARG A 69 -12.396 -2.720 1.799 1.00 54.32 C ATOM 994 CD ARG A 69 -11.871 -3.370 3.070 1.00 32.04 C ATOM 995 NE ARG A 69 -12.916 -4.104 3.780 1.00 51.21 N ATOM 996 CZ ARG A 69 -13.394 -5.276 3.377 1.00 1.04 C ATOM 997 NH1 ARG A 69 -12.922 -5.846 2.276 1.00 54.12 N ATOM 998 NH2 ARG A 69 -14.343 -5.883 4.078 1.00 54.55 N ATOM 0 H ARG A 69 -14.341 0.919 2.985 1.00 20.33 H new ATOM 0 HA ARG A 69 -13.483 -1.568 4.205 1.00 64.43 H new ATOM 0 HB2 ARG A 69 -14.481 -2.495 2.218 1.00 71.12 H new ATOM 0 HB3 ARG A 69 -13.812 -1.231 1.205 1.00 71.12 H new ATOM 0 HG2 ARG A 69 -12.657 -3.492 1.075 1.00 54.32 H new ATOM 0 HG3 ARG A 69 -11.611 -2.113 1.348 1.00 54.32 H new ATOM 0 HD2 ARG A 69 -11.056 -4.050 2.820 1.00 32.04 H new ATOM 0 HD3 ARG A 69 -11.457 -2.603 3.725 1.00 32.04 H new ATOM 0 HE ARG A 69 -13.299 -3.694 4.632 1.00 51.21 H new ATOM 0 HH11 ARG A 69 -12.190 -5.384 1.736 1.00 54.12 H new ATOM 0 HH12 ARG A 69 -13.291 -6.746 1.969 1.00 54.12 H new ATOM 0 HH21 ARG A 69 -14.706 -5.450 4.927 1.00 54.55 H new ATOM 0 HH22 ARG A 69 -14.710 -6.783 3.768 1.00 54.55 H new ATOM 1012 N LEU A 70 -11.569 0.081 4.425 1.00 4.51 N ATOM 1013 CA LEU A 70 -10.285 0.770 4.513 1.00 70.24 C ATOM 1014 C LEU A 70 -9.961 1.133 5.958 1.00 11.24 C ATOM 1015 O LEU A 70 -8.818 1.003 6.400 1.00 65.34 O ATOM 1016 CB LEU A 70 -10.303 2.034 3.651 1.00 74.13 C ATOM 1017 CG LEU A 70 -9.192 2.150 2.606 1.00 14.52 C ATOM 1018 CD1 LEU A 70 -9.731 2.751 1.318 1.00 33.35 C ATOM 1019 CD2 LEU A 70 -8.040 2.987 3.147 1.00 71.43 C ATOM 0 H LEU A 70 -11.998 -0.130 5.326 1.00 4.51 H new ATOM 0 HA LEU A 70 -9.512 0.096 4.144 1.00 70.24 H new ATOM 0 HB2 LEU A 70 -11.263 2.086 3.138 1.00 74.13 H new ATOM 0 HB3 LEU A 70 -10.246 2.900 4.310 1.00 74.13 H new ATOM 0 HG LEU A 70 -8.818 1.150 2.386 1.00 14.52 H new ATOM 0 HD11 LEU A 70 -8.926 2.826 0.587 1.00 33.35 H new ATOM 0 HD12 LEU A 70 -10.523 2.114 0.923 1.00 33.35 H new ATOM 0 HD13 LEU A 70 -10.131 3.745 1.520 1.00 33.35 H new ATOM 0 HD21 LEU A 70 -7.257 3.060 2.392 1.00 71.43 H new ATOM 0 HD22 LEU A 70 -8.400 3.986 3.394 1.00 71.43 H new ATOM 0 HD23 LEU A 70 -7.637 2.515 4.043 1.00 71.43 H new ATOM 1031 N LEU A 71 -10.972 1.584 6.691 1.00 2.15 N ATOM 1032 CA LEU A 71 -10.795 1.963 8.089 1.00 61.51 C ATOM 1033 C LEU A 71 -10.918 0.747 9.003 1.00 63.23 C ATOM 1034 O LEU A 71 -9.985 0.380 9.717 1.00 1.54 O ATOM 1035 CB LEU A 71 -11.826 3.021 8.487 1.00 20.22 C ATOM 1036 CG LEU A 71 -11.266 4.372 8.930 1.00 20.42 C ATOM 1037 CD1 LEU A 71 -12.394 5.359 9.184 1.00 54.54 C ATOM 1038 CD2 LEU A 71 -10.407 4.209 10.176 1.00 23.21 C ATOM 0 H LEU A 71 -11.923 1.696 6.341 1.00 2.15 H new ATOM 0 HA LEU A 71 -9.794 2.380 8.202 1.00 61.51 H new ATOM 0 HB2 LEU A 71 -12.492 3.187 7.640 1.00 20.22 H new ATOM 0 HB3 LEU A 71 -12.434 2.619 9.297 1.00 20.22 H new ATOM 0 HG LEU A 71 -10.640 4.766 8.129 1.00 20.42 H new ATOM 0 HD11 LEU A 71 -11.977 6.315 9.499 1.00 54.54 H new ATOM 0 HD12 LEU A 71 -12.969 5.498 8.269 1.00 54.54 H new ATOM 0 HD13 LEU A 71 -13.046 4.973 9.967 1.00 54.54 H new ATOM 0 HD21 LEU A 71 -10.016 5.181 10.478 1.00 23.21 H new ATOM 0 HD22 LEU A 71 -11.011 3.794 10.983 1.00 23.21 H new ATOM 0 HD23 LEU A 71 -9.578 3.535 9.961 1.00 23.21 H new ATOM 1050 N PRO A 72 -12.096 0.105 8.977 1.00 11.31 N ATOM 1051 CA PRO A 72 -12.368 -1.081 9.795 1.00 4.03 C ATOM 1052 C PRO A 72 -11.581 -2.301 9.327 1.00 40.23 C ATOM 1053 O PRO A 72 -11.597 -3.348 9.973 1.00 54.01 O ATOM 1054 CB PRO A 72 -13.869 -1.306 9.603 1.00 64.34 C ATOM 1055 CG PRO A 72 -14.180 -0.688 8.284 1.00 31.13 C ATOM 1056 CD PRO A 72 -13.251 0.487 8.149 1.00 75.10 C ATOM 0 HA PRO A 72 -12.074 -0.936 10.835 1.00 4.03 H new ATOM 0 HB2 PRO A 72 -14.114 -2.368 9.610 1.00 64.34 H new ATOM 0 HB3 PRO A 72 -14.444 -0.841 10.403 1.00 64.34 H new ATOM 0 HG2 PRO A 72 -14.028 -1.401 7.473 1.00 31.13 H new ATOM 0 HG3 PRO A 72 -15.221 -0.370 8.238 1.00 31.13 H new ATOM 0 HD2 PRO A 72 -12.963 0.655 7.111 1.00 75.10 H new ATOM 0 HD3 PRO A 72 -13.713 1.408 8.505 1.00 75.10 H new ATOM 1064 N VAL A 73 -10.892 -2.158 8.199 1.00 74.42 N ATOM 1065 CA VAL A 73 -10.098 -3.248 7.646 1.00 41.23 C ATOM 1066 C VAL A 73 -8.848 -3.498 8.482 1.00 34.50 C ATOM 1067 O VAL A 73 -8.155 -2.560 8.876 1.00 64.52 O ATOM 1068 CB VAL A 73 -9.680 -2.955 6.192 1.00 13.24 C ATOM 1069 CG1 VAL A 73 -8.620 -1.865 6.151 1.00 13.33 C ATOM 1070 CG2 VAL A 73 -9.178 -4.224 5.517 1.00 54.05 C ATOM 0 H VAL A 73 -10.868 -1.298 7.651 1.00 74.42 H new ATOM 0 HA VAL A 73 -10.727 -4.138 7.664 1.00 41.23 H new ATOM 0 HB VAL A 73 -10.553 -2.600 5.645 1.00 13.24 H new ATOM 0 HG11 VAL A 73 -8.337 -1.671 5.116 1.00 13.33 H new ATOM 0 HG12 VAL A 73 -9.019 -0.953 6.595 1.00 13.33 H new ATOM 0 HG13 VAL A 73 -7.744 -2.189 6.712 1.00 13.33 H new ATOM 0 HG21 VAL A 73 -8.887 -4.000 4.491 1.00 54.05 H new ATOM 0 HG22 VAL A 73 -8.317 -4.610 6.062 1.00 54.05 H new ATOM 0 HG23 VAL A 73 -9.970 -4.972 5.514 1.00 54.05 H new ATOM 1080 N ARG A 74 -8.567 -4.768 8.750 1.00 12.04 N ATOM 1081 CA ARG A 74 -7.401 -5.142 9.542 1.00 74.41 C ATOM 1082 C ARG A 74 -6.170 -5.302 8.654 1.00 71.21 C ATOM 1083 O ARG A 74 -6.071 -6.252 7.878 1.00 73.31 O ATOM 1084 CB ARG A 74 -7.669 -6.443 10.301 1.00 20.51 C ATOM 1085 CG ARG A 74 -6.700 -6.692 11.445 1.00 14.21 C ATOM 1086 CD ARG A 74 -5.657 -7.734 11.077 1.00 44.32 C ATOM 1087 NE ARG A 74 -4.916 -8.204 12.244 1.00 70.44 N ATOM 1088 CZ ARG A 74 -3.909 -7.535 12.793 1.00 23.24 C ATOM 1089 NH1 ARG A 74 -3.525 -6.372 12.284 1.00 61.21 N ATOM 1090 NH2 ARG A 74 -3.284 -8.028 13.854 1.00 1.23 N ATOM 0 H ARG A 74 -9.130 -5.556 8.431 1.00 12.04 H new ATOM 0 HA ARG A 74 -7.209 -4.344 10.260 1.00 74.41 H new ATOM 0 HB2 ARG A 74 -8.685 -6.421 10.695 1.00 20.51 H new ATOM 0 HB3 ARG A 74 -7.616 -7.278 9.603 1.00 20.51 H new ATOM 0 HG2 ARG A 74 -6.204 -5.759 11.713 1.00 14.21 H new ATOM 0 HG3 ARG A 74 -7.252 -7.023 12.325 1.00 14.21 H new ATOM 0 HD2 ARG A 74 -6.145 -8.580 10.593 1.00 44.32 H new ATOM 0 HD3 ARG A 74 -4.961 -7.310 10.353 1.00 44.32 H new ATOM 0 HE ARG A 74 -5.187 -9.095 12.660 1.00 70.44 H new ATOM 0 HH11 ARG A 74 -4.004 -5.989 11.469 1.00 61.21 H new ATOM 0 HH12 ARG A 74 -2.751 -5.860 12.708 1.00 61.21 H new ATOM 0 HH21 ARG A 74 -3.577 -8.922 14.249 1.00 1.23 H new ATOM 0 HH22 ARG A 74 -2.511 -7.513 14.275 1.00 1.23 H new ATOM 1104 N GLY A 75 -5.235 -4.365 8.775 1.00 21.14 N ATOM 1105 CA GLY A 75 -4.022 -4.421 7.978 1.00 73.04 C ATOM 1106 C GLY A 75 -3.692 -3.089 7.334 1.00 63.20 C ATOM 1107 O GLY A 75 -2.535 -2.669 7.321 1.00 75.12 O ATOM 0 H GLY A 75 -5.295 -3.569 9.410 1.00 21.14 H new ATOM 0 HA2 GLY A 75 -3.190 -4.732 8.609 1.00 73.04 H new ATOM 0 HA3 GLY A 75 -4.135 -5.179 7.202 1.00 73.04 H new ATOM 1111 N ALA A 76 -4.709 -2.424 6.797 1.00 52.50 N ATOM 1112 CA ALA A 76 -4.521 -1.131 6.149 1.00 21.41 C ATOM 1113 C ALA A 76 -4.170 -0.052 7.168 1.00 0.00 C ATOM 1114 O ALA A 76 -3.198 0.683 6.998 1.00 72.15 O ATOM 1115 CB ALA A 76 -5.771 -0.743 5.374 1.00 15.33 C ATOM 0 H ALA A 76 -5.672 -2.759 6.798 1.00 52.50 H new ATOM 0 HA ALA A 76 -3.688 -1.219 5.452 1.00 21.41 H new ATOM 0 HB1 ALA A 76 -5.617 0.224 4.895 1.00 15.33 H new ATOM 0 HB2 ALA A 76 -5.976 -1.496 4.613 1.00 15.33 H new ATOM 0 HB3 ALA A 76 -6.618 -0.679 6.058 1.00 15.33 H new ATOM 1121 N VAL A 77 -4.967 0.036 8.227 1.00 42.41 N ATOM 1122 CA VAL A 77 -4.740 1.026 9.275 1.00 72.45 C ATOM 1123 C VAL A 77 -3.361 0.856 9.902 1.00 21.50 C ATOM 1124 O VAL A 77 -2.621 1.824 10.070 1.00 52.10 O ATOM 1125 CB VAL A 77 -5.810 0.931 10.377 1.00 13.23 C ATOM 1126 CG1 VAL A 77 -5.530 1.938 11.482 1.00 45.50 C ATOM 1127 CG2 VAL A 77 -7.198 1.142 9.792 1.00 31.24 C ATOM 0 H VAL A 77 -5.776 -0.566 8.383 1.00 42.41 H new ATOM 0 HA VAL A 77 -4.802 2.007 8.804 1.00 72.45 H new ATOM 0 HB VAL A 77 -5.772 -0.068 10.811 1.00 13.23 H new ATOM 0 HG11 VAL A 77 -6.297 1.856 12.252 1.00 45.50 H new ATOM 0 HG12 VAL A 77 -4.553 1.735 11.920 1.00 45.50 H new ATOM 0 HG13 VAL A 77 -5.539 2.946 11.067 1.00 45.50 H new ATOM 0 HG21 VAL A 77 -7.942 1.071 10.586 1.00 31.24 H new ATOM 0 HG22 VAL A 77 -7.252 2.128 9.330 1.00 31.24 H new ATOM 0 HG23 VAL A 77 -7.396 0.378 9.040 1.00 31.24 H new ATOM 1137 N GLU A 78 -3.023 -0.383 10.246 1.00 35.35 N ATOM 1138 CA GLU A 78 -1.733 -0.680 10.857 1.00 60.13 C ATOM 1139 C GLU A 78 -0.596 -0.444 9.866 1.00 12.21 C ATOM 1140 O GLU A 78 0.519 -0.097 10.258 1.00 22.32 O ATOM 1141 CB GLU A 78 -1.700 -2.128 11.353 1.00 44.44 C ATOM 1142 CG GLU A 78 -2.631 -2.392 12.523 1.00 62.34 C ATOM 1143 CD GLU A 78 -2.125 -1.790 13.819 1.00 13.33 C ATOM 1144 OE1 GLU A 78 -0.932 -1.976 14.134 1.00 21.21 O ATOM 1145 OE2 GLU A 78 -2.924 -1.133 14.520 1.00 21.32 O ATOM 0 H GLU A 78 -3.624 -1.196 10.112 1.00 35.35 H new ATOM 0 HA GLU A 78 -1.598 -0.010 11.706 1.00 60.13 H new ATOM 0 HB2 GLU A 78 -1.967 -2.791 10.530 1.00 44.44 H new ATOM 0 HB3 GLU A 78 -0.681 -2.379 11.647 1.00 44.44 H new ATOM 0 HG2 GLU A 78 -3.616 -1.984 12.298 1.00 62.34 H new ATOM 0 HG3 GLU A 78 -2.753 -3.468 12.650 1.00 62.34 H new ATOM 1152 N CYS A 79 -0.887 -0.634 8.585 1.00 61.20 N ATOM 1153 CA CYS A 79 0.111 -0.444 7.538 1.00 44.32 C ATOM 1154 C CYS A 79 0.522 1.022 7.439 1.00 41.11 C ATOM 1155 O CYS A 79 1.710 1.346 7.448 1.00 14.53 O ATOM 1156 CB CYS A 79 -0.433 -0.926 6.192 1.00 54.44 C ATOM 1157 SG CYS A 79 0.683 -0.637 4.800 1.00 61.02 S ATOM 0 H CYS A 79 -1.806 -0.919 8.245 1.00 61.20 H new ATOM 0 HA CYS A 79 0.991 -1.033 7.797 1.00 44.32 H new ATOM 0 HB2 CYS A 79 -0.645 -1.993 6.259 1.00 54.44 H new ATOM 0 HB3 CYS A 79 -1.381 -0.425 5.994 1.00 54.44 H new ATOM 0 HG CYS A 79 0.239 -1.262 3.750 1.00 61.02 H new ATOM 1163 N LEU A 80 -0.467 1.903 7.343 1.00 51.35 N ATOM 1164 CA LEU A 80 -0.208 3.335 7.240 1.00 73.13 C ATOM 1165 C LEU A 80 0.409 3.870 8.528 1.00 41.33 C ATOM 1166 O LEU A 80 1.386 4.620 8.496 1.00 14.12 O ATOM 1167 CB LEU A 80 -1.505 4.088 6.933 1.00 31.44 C ATOM 1168 CG LEU A 80 -2.380 3.492 5.829 1.00 75.03 C ATOM 1169 CD1 LEU A 80 -3.824 3.384 6.293 1.00 1.30 C ATOM 1170 CD2 LEU A 80 -2.286 4.331 4.564 1.00 53.14 C ATOM 0 H LEU A 80 -1.455 1.651 7.334 1.00 51.35 H new ATOM 0 HA LEU A 80 0.499 3.493 6.426 1.00 73.13 H new ATOM 0 HB2 LEU A 80 -2.095 4.143 7.848 1.00 31.44 H new ATOM 0 HB3 LEU A 80 -1.251 5.111 6.656 1.00 31.44 H new ATOM 0 HG LEU A 80 -2.016 2.489 5.604 1.00 75.03 H new ATOM 0 HD11 LEU A 80 -4.432 2.958 5.495 1.00 1.30 H new ATOM 0 HD12 LEU A 80 -3.877 2.741 7.172 1.00 1.30 H new ATOM 0 HD13 LEU A 80 -4.200 4.375 6.546 1.00 1.30 H new ATOM 0 HD21 LEU A 80 -2.915 3.893 3.789 1.00 53.14 H new ATOM 0 HD22 LEU A 80 -2.624 5.346 4.774 1.00 53.14 H new ATOM 0 HD23 LEU A 80 -1.252 4.357 4.221 1.00 53.14 H new ATOM 1182 N PHE A 81 -0.165 3.478 9.661 1.00 11.41 N ATOM 1183 CA PHE A 81 0.331 3.918 10.961 1.00 31.10 C ATOM 1184 C PHE A 81 1.781 3.491 11.162 1.00 65.23 C ATOM 1185 O PHE A 81 2.601 4.257 11.669 1.00 54.44 O ATOM 1186 CB PHE A 81 -0.540 3.348 12.082 1.00 61.31 C ATOM 1187 CG PHE A 81 -1.606 4.296 12.554 1.00 44.01 C ATOM 1188 CD1 PHE A 81 -2.680 4.614 11.737 1.00 4.42 C ATOM 1189 CD2 PHE A 81 -1.534 4.868 13.813 1.00 1.20 C ATOM 1190 CE1 PHE A 81 -3.662 5.486 12.169 1.00 22.44 C ATOM 1191 CE2 PHE A 81 -2.513 5.740 14.251 1.00 10.40 C ATOM 1192 CZ PHE A 81 -3.577 6.050 13.427 1.00 14.12 C ATOM 0 H PHE A 81 -0.973 2.857 9.706 1.00 11.41 H new ATOM 0 HA PHE A 81 0.283 5.007 10.991 1.00 31.10 H new ATOM 0 HB2 PHE A 81 -1.011 2.429 11.734 1.00 61.31 H new ATOM 0 HB3 PHE A 81 0.096 3.080 12.925 1.00 61.31 H new ATOM 0 HD1 PHE A 81 -2.750 4.176 10.752 1.00 4.42 H new ATOM 0 HD2 PHE A 81 -0.703 4.630 14.460 1.00 1.20 H new ATOM 0 HE1 PHE A 81 -4.494 5.726 11.524 1.00 22.44 H new ATOM 0 HE2 PHE A 81 -2.446 6.178 15.236 1.00 10.40 H new ATOM 0 HZ PHE A 81 -4.342 6.733 13.766 1.00 14.12 H new ATOM 1202 N GLU A 82 2.092 2.262 10.761 1.00 14.13 N ATOM 1203 CA GLU A 82 3.444 1.733 10.900 1.00 63.14 C ATOM 1204 C GLU A 82 4.403 2.430 9.937 1.00 54.13 C ATOM 1205 O GLU A 82 5.561 2.675 10.268 1.00 1.40 O ATOM 1206 CB GLU A 82 3.454 0.225 10.643 1.00 5.40 C ATOM 1207 CG GLU A 82 2.931 -0.595 11.811 1.00 32.10 C ATOM 1208 CD GLU A 82 4.034 -1.032 12.756 1.00 63.13 C ATOM 1209 OE1 GLU A 82 4.944 -1.761 12.306 1.00 32.03 O ATOM 1210 OE2 GLU A 82 3.988 -0.648 13.942 1.00 73.22 O ATOM 0 H GLU A 82 1.427 1.615 10.338 1.00 14.13 H new ATOM 0 HA GLU A 82 3.778 1.923 11.920 1.00 63.14 H new ATOM 0 HB2 GLU A 82 2.851 0.011 9.761 1.00 5.40 H new ATOM 0 HB3 GLU A 82 4.473 -0.090 10.416 1.00 5.40 H new ATOM 0 HG2 GLU A 82 2.196 -0.008 12.362 1.00 32.10 H new ATOM 0 HG3 GLU A 82 2.414 -1.476 11.430 1.00 32.10 H new ATOM 1217 N MET A 83 3.908 2.745 8.745 1.00 64.12 N ATOM 1218 CA MET A 83 4.719 3.414 7.734 1.00 41.04 C ATOM 1219 C MET A 83 5.019 4.853 8.142 1.00 33.14 C ATOM 1220 O MET A 83 6.166 5.293 8.104 1.00 40.25 O ATOM 1221 CB MET A 83 4.006 3.393 6.381 1.00 44.02 C ATOM 1222 CG MET A 83 4.944 3.185 5.202 1.00 32.02 C ATOM 1223 SD MET A 83 4.529 1.722 4.233 1.00 43.21 S ATOM 1224 CE MET A 83 4.684 0.439 5.473 1.00 42.24 C ATOM 0 H MET A 83 2.950 2.548 8.455 1.00 64.12 H new ATOM 0 HA MET A 83 5.663 2.876 7.647 1.00 41.04 H new ATOM 0 HB2 MET A 83 3.260 2.599 6.385 1.00 44.02 H new ATOM 0 HB3 MET A 83 3.471 4.333 6.247 1.00 44.02 H new ATOM 0 HG2 MET A 83 4.912 4.064 4.558 1.00 32.02 H new ATOM 0 HG3 MET A 83 5.967 3.095 5.568 1.00 32.02 H new ATOM 0 HE1 MET A 83 4.010 -0.383 5.232 1.00 42.24 H new ATOM 0 HE2 MET A 83 5.710 0.073 5.491 1.00 42.24 H new ATOM 0 HE3 MET A 83 4.426 0.845 6.451 1.00 42.24 H new ATOM 1234 N GLY A 84 3.976 5.582 8.532 1.00 3.13 N ATOM 1235 CA GLY A 84 4.149 6.964 8.941 1.00 5.21 C ATOM 1236 C GLY A 84 3.093 7.878 8.353 1.00 11.01 C ATOM 1237 O GLY A 84 3.385 8.694 7.478 1.00 23.52 O ATOM 0 H GLY A 84 3.016 5.240 8.572 1.00 3.13 H new ATOM 0 HA2 GLY A 84 4.113 7.025 10.029 1.00 5.21 H new ATOM 0 HA3 GLY A 84 5.136 7.310 8.634 1.00 5.21 H new ATOM 1241 N PHE A 85 1.862 7.743 8.833 1.00 0.34 N ATOM 1242 CA PHE A 85 0.758 8.562 8.348 1.00 43.24 C ATOM 1243 C PHE A 85 -0.069 9.104 9.510 1.00 41.45 C ATOM 1244 O PHE A 85 0.102 8.688 10.655 1.00 50.50 O ATOM 1245 CB PHE A 85 -0.134 7.749 7.408 1.00 23.12 C ATOM 1246 CG PHE A 85 0.015 8.127 5.962 1.00 52.45 C ATOM 1247 CD1 PHE A 85 -0.429 9.358 5.505 1.00 34.12 C ATOM 1248 CD2 PHE A 85 0.599 7.254 5.060 1.00 51.05 C ATOM 1249 CE1 PHE A 85 -0.294 9.708 4.175 1.00 74.10 C ATOM 1250 CE2 PHE A 85 0.738 7.599 3.730 1.00 50.33 C ATOM 1251 CZ PHE A 85 0.291 8.829 3.287 1.00 23.10 C ATOM 0 H PHE A 85 1.604 7.074 9.558 1.00 0.34 H new ATOM 0 HA PHE A 85 1.178 9.405 7.800 1.00 43.24 H new ATOM 0 HB2 PHE A 85 0.099 6.691 7.524 1.00 23.12 H new ATOM 0 HB3 PHE A 85 -1.175 7.880 7.704 1.00 23.12 H new ATOM 0 HD1 PHE A 85 -0.885 10.051 6.196 1.00 34.12 H new ATOM 0 HD2 PHE A 85 0.950 6.291 5.401 1.00 51.05 H new ATOM 0 HE1 PHE A 85 -0.646 10.669 3.831 1.00 74.10 H new ATOM 0 HE2 PHE A 85 1.195 6.908 3.037 1.00 50.33 H new ATOM 0 HZ PHE A 85 0.399 9.102 2.248 1.00 23.10 H new ATOM 1261 N GLU A 86 -0.967 10.037 9.206 1.00 40.24 N ATOM 1262 CA GLU A 86 -1.819 10.638 10.225 1.00 62.32 C ATOM 1263 C GLU A 86 -3.294 10.445 9.883 1.00 44.30 C ATOM 1264 O GLU A 86 -3.804 11.048 8.939 1.00 74.44 O ATOM 1265 CB GLU A 86 -1.506 12.129 10.369 1.00 74.15 C ATOM 1266 CG GLU A 86 -2.216 12.788 11.539 1.00 52.34 C ATOM 1267 CD GLU A 86 -1.415 13.926 12.141 1.00 53.32 C ATOM 1268 OE1 GLU A 86 -1.246 14.958 11.458 1.00 4.22 O ATOM 1269 OE2 GLU A 86 -0.958 13.786 13.295 1.00 64.43 O ATOM 0 H GLU A 86 -1.123 10.392 8.263 1.00 40.24 H new ATOM 0 HA GLU A 86 -1.616 10.140 11.173 1.00 62.32 H new ATOM 0 HB2 GLU A 86 -0.430 12.256 10.489 1.00 74.15 H new ATOM 0 HB3 GLU A 86 -1.787 12.641 9.449 1.00 74.15 H new ATOM 0 HG2 GLU A 86 -3.183 13.165 11.207 1.00 52.34 H new ATOM 0 HG3 GLU A 86 -2.413 12.041 12.308 1.00 52.34 H new ATOM 1276 N GLU A 87 -3.970 9.603 10.657 1.00 52.23 N ATOM 1277 CA GLU A 87 -5.384 9.331 10.434 1.00 15.02 C ATOM 1278 C GLU A 87 -6.238 10.537 10.819 1.00 33.55 C ATOM 1279 O GLU A 87 -6.268 10.944 11.980 1.00 72.14 O ATOM 1280 CB GLU A 87 -5.824 8.105 11.238 1.00 73.32 C ATOM 1281 CG GLU A 87 -6.448 7.010 10.387 1.00 54.34 C ATOM 1282 CD GLU A 87 -5.506 6.497 9.316 1.00 32.31 C ATOM 1283 OE1 GLU A 87 -4.303 6.828 9.375 1.00 11.14 O ATOM 1284 OE2 GLU A 87 -5.972 5.765 8.417 1.00 31.12 O ATOM 0 H GLU A 87 -3.562 9.098 11.443 1.00 52.23 H new ATOM 0 HA GLU A 87 -5.525 9.131 9.372 1.00 15.02 H new ATOM 0 HB2 GLU A 87 -4.961 7.697 11.764 1.00 73.32 H new ATOM 0 HB3 GLU A 87 -6.542 8.417 11.997 1.00 73.32 H new ATOM 0 HG2 GLU A 87 -6.748 6.182 11.029 1.00 54.34 H new ATOM 0 HG3 GLU A 87 -7.354 7.392 9.916 1.00 54.34 H new ATOM 1291 N GLY A 88 -6.929 11.103 9.836 1.00 31.21 N ATOM 1292 CA GLY A 88 -7.772 12.256 10.090 1.00 54.44 C ATOM 1293 C GLY A 88 -9.244 11.898 10.148 1.00 2.51 C ATOM 1294 O GLY A 88 -9.599 10.729 10.298 1.00 4.45 O ATOM 0 H GLY A 88 -6.920 10.784 8.867 1.00 31.21 H new ATOM 0 HA2 GLY A 88 -7.476 12.718 11.032 1.00 54.44 H new ATOM 0 HA3 GLY A 88 -7.612 12.998 9.308 1.00 54.44 H new ATOM 1298 N GLU A 89 -10.104 12.906 10.032 1.00 63.03 N ATOM 1299 CA GLU A 89 -11.544 12.690 10.075 1.00 32.11 C ATOM 1300 C GLU A 89 -12.101 12.447 8.675 1.00 41.33 C ATOM 1301 O GLU A 89 -12.885 11.524 8.456 1.00 62.20 O ATOM 1302 CB GLU A 89 -12.245 13.892 10.713 1.00 3.23 C ATOM 1303 CG GLU A 89 -12.606 13.681 12.174 1.00 73.20 C ATOM 1304 CD GLU A 89 -13.223 14.914 12.806 1.00 23.33 C ATOM 1305 OE1 GLU A 89 -14.460 15.059 12.740 1.00 13.21 O ATOM 1306 OE2 GLU A 89 -12.464 15.734 13.367 1.00 62.21 O ATOM 0 H GLU A 89 -9.827 13.880 9.908 1.00 63.03 H new ATOM 0 HA GLU A 89 -11.733 11.804 10.681 1.00 32.11 H new ATOM 0 HB2 GLU A 89 -11.598 14.765 10.630 1.00 3.23 H new ATOM 0 HB3 GLU A 89 -13.153 14.113 10.151 1.00 3.23 H new ATOM 0 HG2 GLU A 89 -13.304 12.848 12.255 1.00 73.20 H new ATOM 0 HG3 GLU A 89 -11.710 13.402 12.729 1.00 73.20 H new ATOM 1313 N THR A 90 -11.689 13.285 7.729 1.00 41.14 N ATOM 1314 CA THR A 90 -12.146 13.165 6.350 1.00 45.01 C ATOM 1315 C THR A 90 -10.980 12.893 5.406 1.00 30.33 C ATOM 1316 O THR A 90 -11.163 12.347 4.318 1.00 33.52 O ATOM 1317 CB THR A 90 -12.880 14.438 5.888 1.00 42.42 C ATOM 1318 OG1 THR A 90 -13.197 14.343 4.494 1.00 52.52 O ATOM 1319 CG2 THR A 90 -12.028 15.674 6.137 1.00 62.21 C ATOM 0 H THR A 90 -11.040 14.054 7.893 1.00 41.14 H new ATOM 0 HA THR A 90 -12.839 12.324 6.319 1.00 45.01 H new ATOM 0 HB THR A 90 -13.801 14.529 6.464 1.00 42.42 H new ATOM 0 HG1 THR A 90 -13.665 15.156 4.209 1.00 52.52 H new ATOM 0 HG21 THR A 90 -12.567 16.561 5.803 1.00 62.21 H new ATOM 0 HG22 THR A 90 -11.814 15.760 7.202 1.00 62.21 H new ATOM 0 HG23 THR A 90 -11.092 15.588 5.584 1.00 62.21 H new ATOM 1327 N HIS A 91 -9.780 13.278 5.828 1.00 23.13 N ATOM 1328 CA HIS A 91 -8.583 13.074 5.020 1.00 41.31 C ATOM 1329 C HIS A 91 -7.389 12.714 5.898 1.00 32.44 C ATOM 1330 O HIS A 91 -7.404 12.942 7.109 1.00 53.14 O ATOM 1331 CB HIS A 91 -8.272 14.331 4.207 1.00 12.30 C ATOM 1332 CG HIS A 91 -8.142 15.568 5.042 1.00 64.42 C ATOM 1333 ND1 HIS A 91 -8.103 15.546 6.418 1.00 12.34 N ATOM 1334 CD2 HIS A 91 -8.042 16.870 4.685 1.00 71.52 C ATOM 1335 CE1 HIS A 91 -7.986 16.780 6.873 1.00 0.22 C ATOM 1336 NE2 HIS A 91 -7.946 17.603 5.841 1.00 52.30 N ATOM 0 H HIS A 91 -9.611 13.733 6.725 1.00 23.13 H new ATOM 0 HA HIS A 91 -8.772 12.245 4.338 1.00 41.31 H new ATOM 0 HB2 HIS A 91 -7.345 14.176 3.655 1.00 12.30 H new ATOM 0 HB3 HIS A 91 -9.061 14.481 3.470 1.00 12.30 H new ATOM 0 HD1 HIS A 91 -8.156 14.707 6.996 1.00 12.34 H new ATOM 0 HD2 HIS A 91 -8.038 17.259 3.678 1.00 71.52 H new ATOM 0 HE1 HIS A 91 -7.932 17.067 7.913 1.00 0.22 H new ATOM 1344 N LEU A 92 -6.357 12.149 5.282 1.00 54.12 N ATOM 1345 CA LEU A 92 -5.154 11.756 6.008 1.00 14.22 C ATOM 1346 C LEU A 92 -4.036 12.772 5.800 1.00 62.14 C ATOM 1347 O LEU A 92 -3.879 13.323 4.710 1.00 50.01 O ATOM 1348 CB LEU A 92 -4.691 10.370 5.556 1.00 25.43 C ATOM 1349 CG LEU A 92 -5.022 9.211 6.497 1.00 72.14 C ATOM 1350 CD1 LEU A 92 -6.340 8.563 6.102 1.00 2.31 C ATOM 1351 CD2 LEU A 92 -3.899 8.184 6.493 1.00 13.44 C ATOM 0 H LEU A 92 -6.329 11.953 4.281 1.00 54.12 H new ATOM 0 HA LEU A 92 -5.396 11.722 7.070 1.00 14.22 H new ATOM 0 HB2 LEU A 92 -5.136 10.160 4.583 1.00 25.43 H new ATOM 0 HB3 LEU A 92 -3.611 10.399 5.413 1.00 25.43 H new ATOM 0 HG LEU A 92 -5.123 9.606 7.508 1.00 72.14 H new ATOM 0 HD11 LEU A 92 -6.559 7.740 6.783 1.00 2.31 H new ATOM 0 HD12 LEU A 92 -7.139 9.302 6.156 1.00 2.31 H new ATOM 0 HD13 LEU A 92 -6.267 8.182 5.083 1.00 2.31 H new ATOM 0 HD21 LEU A 92 -4.151 7.366 7.168 1.00 13.44 H new ATOM 0 HD22 LEU A 92 -3.766 7.794 5.484 1.00 13.44 H new ATOM 0 HD23 LEU A 92 -2.974 8.655 6.824 1.00 13.44 H new ATOM 1363 N ILE A 93 -3.258 13.013 6.851 1.00 61.41 N ATOM 1364 CA ILE A 93 -2.153 13.960 6.782 1.00 45.02 C ATOM 1365 C ILE A 93 -0.810 13.239 6.805 1.00 25.11 C ATOM 1366 O ILE A 93 -0.633 12.257 7.525 1.00 22.22 O ATOM 1367 CB ILE A 93 -2.202 14.970 7.944 1.00 4.21 C ATOM 1368 CG1 ILE A 93 -3.291 16.014 7.696 1.00 61.54 C ATOM 1369 CG2 ILE A 93 -0.847 15.640 8.120 1.00 52.13 C ATOM 1370 CD1 ILE A 93 -4.694 15.459 7.794 1.00 12.12 C ATOM 0 H ILE A 93 -3.373 12.565 7.760 1.00 61.41 H new ATOM 0 HA ILE A 93 -2.258 14.499 5.840 1.00 45.02 H new ATOM 0 HB ILE A 93 -2.443 14.434 8.862 1.00 4.21 H new ATOM 0 HG12 ILE A 93 -3.178 16.823 8.417 1.00 61.54 H new ATOM 0 HG13 ILE A 93 -3.149 16.447 6.706 1.00 61.54 H new ATOM 0 HG21 ILE A 93 -0.897 16.351 8.945 1.00 52.13 H new ATOM 0 HG22 ILE A 93 -0.093 14.884 8.338 1.00 52.13 H new ATOM 0 HG23 ILE A 93 -0.579 16.166 7.203 1.00 52.13 H new ATOM 0 HD11 ILE A 93 -5.414 16.255 7.607 1.00 12.12 H new ATOM 0 HD12 ILE A 93 -4.825 14.669 7.054 1.00 12.12 H new ATOM 0 HD13 ILE A 93 -4.855 15.051 8.792 1.00 12.12 H new ATOM 1382 N PHE A 94 0.136 13.735 6.014 1.00 51.42 N ATOM 1383 CA PHE A 94 1.465 13.138 5.945 1.00 1.01 C ATOM 1384 C PHE A 94 2.403 13.779 6.963 1.00 14.34 C ATOM 1385 O PHE A 94 2.713 14.969 6.897 1.00 44.13 O ATOM 1386 CB PHE A 94 2.043 13.291 4.536 1.00 60.12 C ATOM 1387 CG PHE A 94 3.093 12.270 4.205 1.00 23.50 C ATOM 1388 CD1 PHE A 94 4.408 12.456 4.602 1.00 62.43 C ATOM 1389 CD2 PHE A 94 2.766 11.125 3.496 1.00 10.41 C ATOM 1390 CE1 PHE A 94 5.377 11.517 4.299 1.00 14.41 C ATOM 1391 CE2 PHE A 94 3.731 10.183 3.191 1.00 40.12 C ATOM 1392 CZ PHE A 94 5.038 10.380 3.592 1.00 12.41 C ATOM 0 H PHE A 94 0.007 14.548 5.412 1.00 51.42 H new ATOM 0 HA PHE A 94 1.372 12.078 6.180 1.00 1.01 H new ATOM 0 HB2 PHE A 94 1.234 13.217 3.810 1.00 60.12 H new ATOM 0 HB3 PHE A 94 2.472 14.288 4.434 1.00 60.12 H new ATOM 0 HD1 PHE A 94 4.679 13.344 5.154 1.00 62.43 H new ATOM 0 HD2 PHE A 94 1.746 10.967 3.178 1.00 10.41 H new ATOM 0 HE1 PHE A 94 6.398 11.673 4.615 1.00 14.41 H new ATOM 0 HE2 PHE A 94 3.463 9.294 2.640 1.00 40.12 H new ATOM 0 HZ PHE A 94 5.794 9.646 3.353 1.00 12.41 H new ATOM 1402 N PRO A 95 2.865 12.973 7.931 1.00 71.42 N ATOM 1403 CA PRO A 95 3.773 13.439 8.983 1.00 35.20 C ATOM 1404 C PRO A 95 5.165 13.756 8.449 1.00 72.13 C ATOM 1405 O PRO A 95 5.710 13.018 7.627 1.00 74.41 O ATOM 1406 CB PRO A 95 3.829 12.255 9.952 1.00 51.50 C ATOM 1407 CG PRO A 95 3.505 11.066 9.116 1.00 3.32 C ATOM 1408 CD PRO A 95 2.535 11.545 8.072 1.00 31.34 C ATOM 0 HA PRO A 95 3.426 14.366 9.440 1.00 35.20 H new ATOM 0 HB2 PRO A 95 4.815 12.162 10.407 1.00 51.50 H new ATOM 0 HB3 PRO A 95 3.113 12.374 10.765 1.00 51.50 H new ATOM 0 HG2 PRO A 95 4.404 10.657 8.655 1.00 3.32 H new ATOM 0 HG3 PRO A 95 3.067 10.272 9.720 1.00 3.32 H new ATOM 0 HD2 PRO A 95 2.660 11.009 7.131 1.00 31.34 H new ATOM 0 HD3 PRO A 95 1.502 11.400 8.387 1.00 31.34 H new ATOM 1416 N LYS A 96 5.738 14.858 8.918 1.00 13.15 N ATOM 1417 CA LYS A 96 7.068 15.274 8.490 1.00 24.50 C ATOM 1418 C LYS A 96 8.125 14.274 8.949 1.00 74.23 C ATOM 1419 O LYS A 96 9.258 14.290 8.470 1.00 24.20 O ATOM 1420 CB LYS A 96 7.393 16.664 9.039 1.00 13.13 C ATOM 1421 CG LYS A 96 6.552 17.772 8.428 1.00 65.24 C ATOM 1422 CD LYS A 96 7.223 18.367 7.201 1.00 51.35 C ATOM 1423 CE LYS A 96 6.572 19.680 6.792 1.00 1.25 C ATOM 1424 NZ LYS A 96 7.578 20.757 6.582 1.00 44.21 N ATOM 0 H LYS A 96 5.301 15.481 9.597 1.00 13.15 H new ATOM 0 HA LYS A 96 7.076 15.310 7.401 1.00 24.50 H new ATOM 0 HB2 LYS A 96 7.247 16.662 10.119 1.00 13.13 H new ATOM 0 HB3 LYS A 96 8.447 16.879 8.860 1.00 13.13 H new ATOM 0 HG2 LYS A 96 5.573 17.379 8.154 1.00 65.24 H new ATOM 0 HG3 LYS A 96 6.385 18.554 9.168 1.00 65.24 H new ATOM 0 HD2 LYS A 96 8.280 18.533 7.407 1.00 51.35 H new ATOM 0 HD3 LYS A 96 7.167 17.659 6.375 1.00 51.35 H new ATOM 0 HE2 LYS A 96 6.002 19.532 5.875 1.00 1.25 H new ATOM 0 HE3 LYS A 96 5.864 19.989 7.561 1.00 1.25 H new ATOM 0 HZ1 LYS A 96 7.094 21.635 6.305 1.00 44.21 H new ATOM 0 HZ2 LYS A 96 8.105 20.916 7.464 1.00 44.21 H new ATOM 0 HZ3 LYS A 96 8.238 20.473 5.830 1.00 44.21 H new ATOM 1438 N LYS A 97 7.745 13.405 9.879 1.00 31.44 N ATOM 1439 CA LYS A 97 8.658 12.395 10.402 1.00 61.40 C ATOM 1440 C LYS A 97 8.711 11.180 9.481 1.00 14.13 C ATOM 1441 O LYS A 97 9.650 10.386 9.538 1.00 50.21 O ATOM 1442 CB LYS A 97 8.226 11.965 11.805 1.00 11.41 C ATOM 1443 CG LYS A 97 8.249 13.094 12.822 1.00 42.02 C ATOM 1444 CD LYS A 97 7.010 13.079 13.700 1.00 73.42 C ATOM 1445 CE LYS A 97 5.972 14.081 13.216 1.00 21.52 C ATOM 1446 NZ LYS A 97 5.477 14.944 14.323 1.00 73.35 N ATOM 0 H LYS A 97 6.810 13.380 10.287 1.00 31.44 H new ATOM 0 HA LYS A 97 9.654 12.834 10.453 1.00 61.40 H new ATOM 0 HB2 LYS A 97 7.218 11.553 11.755 1.00 11.41 H new ATOM 0 HB3 LYS A 97 8.881 11.165 12.148 1.00 11.41 H new ATOM 0 HG2 LYS A 97 9.139 13.005 13.445 1.00 42.02 H new ATOM 0 HG3 LYS A 97 8.317 14.050 12.304 1.00 42.02 H new ATOM 0 HD2 LYS A 97 6.577 12.078 13.704 1.00 73.42 H new ATOM 0 HD3 LYS A 97 7.288 13.310 14.728 1.00 73.42 H new ATOM 0 HE2 LYS A 97 6.406 14.705 12.435 1.00 21.52 H new ATOM 0 HE3 LYS A 97 5.133 13.548 12.768 1.00 21.52 H new ATOM 0 HZ1 LYS A 97 4.772 15.613 13.953 1.00 73.35 H new ATOM 0 HZ2 LYS A 97 5.040 14.351 15.057 1.00 73.35 H new ATOM 0 HZ3 LYS A 97 6.273 15.472 14.734 1.00 73.35 H new ATOM 1460 N ALA A 98 7.699 11.043 8.631 1.00 73.31 N ATOM 1461 CA ALA A 98 7.633 9.927 7.695 1.00 21.22 C ATOM 1462 C ALA A 98 8.792 9.971 6.706 1.00 32.21 C ATOM 1463 O ALA A 98 9.285 11.044 6.360 1.00 73.13 O ATOM 1464 CB ALA A 98 6.304 9.938 6.954 1.00 12.15 C ATOM 0 H ALA A 98 6.913 11.691 8.571 1.00 73.31 H new ATOM 0 HA ALA A 98 7.711 9.001 8.265 1.00 21.22 H new ATOM 0 HB1 ALA A 98 6.268 9.099 6.259 1.00 12.15 H new ATOM 0 HB2 ALA A 98 5.487 9.850 7.670 1.00 12.15 H new ATOM 0 HB3 ALA A 98 6.203 10.872 6.401 1.00 12.15 H new ATOM 1470 N SER A 99 9.225 8.797 6.255 1.00 61.44 N ATOM 1471 CA SER A 99 10.329 8.702 5.309 1.00 42.51 C ATOM 1472 C SER A 99 9.816 8.405 3.902 1.00 54.30 C ATOM 1473 O SER A 99 9.323 7.311 3.628 1.00 24.11 O ATOM 1474 CB SER A 99 11.311 7.613 5.746 1.00 31.01 C ATOM 1475 OG SER A 99 10.637 6.551 6.399 1.00 30.43 O ATOM 0 H SER A 99 8.827 7.899 6.530 1.00 61.44 H new ATOM 0 HA SER A 99 10.845 9.662 5.294 1.00 42.51 H new ATOM 0 HB2 SER A 99 11.844 7.229 4.876 1.00 31.01 H new ATOM 0 HB3 SER A 99 12.058 8.040 6.415 1.00 31.01 H new ATOM 0 HG SER A 99 11.286 5.867 6.667 1.00 30.43 H new ATOM 1481 N VAL A 100 9.937 9.388 3.016 1.00 21.15 N ATOM 1482 CA VAL A 100 9.486 9.233 1.638 1.00 25.33 C ATOM 1483 C VAL A 100 10.310 8.179 0.906 1.00 45.33 C ATOM 1484 O VAL A 100 9.783 7.417 0.097 1.00 31.53 O ATOM 1485 CB VAL A 100 9.573 10.563 0.866 1.00 61.31 C ATOM 1486 CG1 VAL A 100 8.598 11.579 1.440 1.00 14.43 C ATOM 1487 CG2 VAL A 100 10.997 11.103 0.894 1.00 73.52 C ATOM 0 H VAL A 100 10.343 10.299 3.227 1.00 21.15 H new ATOM 0 HA VAL A 100 8.445 8.913 1.680 1.00 25.33 H new ATOM 0 HB VAL A 100 9.298 10.379 -0.173 1.00 61.31 H new ATOM 0 HG11 VAL A 100 8.674 12.512 0.882 1.00 14.43 H new ATOM 0 HG12 VAL A 100 7.582 11.192 1.363 1.00 14.43 H new ATOM 0 HG13 VAL A 100 8.838 11.762 2.487 1.00 14.43 H new ATOM 0 HG21 VAL A 100 11.041 12.043 0.344 1.00 73.52 H new ATOM 0 HG22 VAL A 100 11.302 11.272 1.927 1.00 73.52 H new ATOM 0 HG23 VAL A 100 11.669 10.380 0.431 1.00 73.52 H new ATOM 1497 N GLU A 101 11.607 8.142 1.196 1.00 61.53 N ATOM 1498 CA GLU A 101 12.503 7.181 0.565 1.00 30.04 C ATOM 1499 C GLU A 101 12.102 5.750 0.917 1.00 44.24 C ATOM 1500 O GLU A 101 12.247 4.838 0.103 1.00 42.01 O ATOM 1501 CB GLU A 101 13.949 7.439 0.997 1.00 21.24 C ATOM 1502 CG GLU A 101 14.660 8.482 0.152 1.00 21.53 C ATOM 1503 CD GLU A 101 16.169 8.415 0.290 1.00 34.51 C ATOM 1504 OE1 GLU A 101 16.689 7.318 0.582 1.00 64.14 O ATOM 1505 OE2 GLU A 101 16.828 9.459 0.107 1.00 2.43 O ATOM 0 H GLU A 101 12.060 8.766 1.864 1.00 61.53 H new ATOM 0 HA GLU A 101 12.426 7.306 -0.515 1.00 30.04 H new ATOM 0 HB2 GLU A 101 13.956 7.761 2.038 1.00 21.24 H new ATOM 0 HB3 GLU A 101 14.506 6.503 0.949 1.00 21.24 H new ATOM 0 HG2 GLU A 101 14.388 8.343 -0.894 1.00 21.53 H new ATOM 0 HG3 GLU A 101 14.316 9.475 0.442 1.00 21.53 H new ATOM 1512 N GLN A 102 11.601 5.565 2.133 1.00 25.01 N ATOM 1513 CA GLN A 102 11.182 4.246 2.592 1.00 15.35 C ATOM 1514 C GLN A 102 9.852 3.848 1.960 1.00 23.33 C ATOM 1515 O GLN A 102 9.675 2.707 1.531 1.00 74.02 O ATOM 1516 CB GLN A 102 11.060 4.229 4.118 1.00 50.42 C ATOM 1517 CG GLN A 102 10.285 3.036 4.653 1.00 13.34 C ATOM 1518 CD GLN A 102 8.792 3.285 4.705 1.00 24.40 C ATOM 1519 OE1 GLN A 102 8.315 4.118 5.477 1.00 62.23 O ATOM 1520 NE2 GLN A 102 8.041 2.561 3.881 1.00 55.32 N ATOM 0 H GLN A 102 11.475 6.310 2.818 1.00 25.01 H new ATOM 0 HA GLN A 102 11.940 3.524 2.287 1.00 15.35 H new ATOM 0 HB2 GLN A 102 12.059 4.228 4.554 1.00 50.42 H new ATOM 0 HB3 GLN A 102 10.570 5.146 4.445 1.00 50.42 H new ATOM 0 HG2 GLN A 102 10.483 2.168 4.024 1.00 13.34 H new ATOM 0 HG3 GLN A 102 10.644 2.794 5.653 1.00 13.34 H new ATOM 0 HE21 GLN A 102 8.477 1.882 3.258 1.00 55.32 H new ATOM 0 HE22 GLN A 102 7.029 2.685 3.872 1.00 55.32 H new ATOM 1529 N LEU A 103 8.921 4.794 1.905 1.00 30.21 N ATOM 1530 CA LEU A 103 7.607 4.540 1.326 1.00 42.42 C ATOM 1531 C LEU A 103 7.725 4.170 -0.150 1.00 12.00 C ATOM 1532 O LEU A 103 6.963 3.345 -0.654 1.00 4.13 O ATOM 1533 CB LEU A 103 6.711 5.770 1.485 1.00 43.53 C ATOM 1534 CG LEU A 103 5.681 5.710 2.611 1.00 21.42 C ATOM 1535 CD1 LEU A 103 5.304 7.111 3.068 1.00 42.12 C ATOM 1536 CD2 LEU A 103 4.445 4.944 2.164 1.00 22.53 C ATOM 0 H LEU A 103 9.052 5.743 2.254 1.00 30.21 H new ATOM 0 HA LEU A 103 7.159 3.701 1.858 1.00 42.42 H new ATOM 0 HB2 LEU A 103 7.348 6.639 1.649 1.00 43.53 H new ATOM 0 HB3 LEU A 103 6.183 5.934 0.546 1.00 43.53 H new ATOM 0 HG LEU A 103 6.126 5.183 3.455 1.00 21.42 H new ATOM 0 HD11 LEU A 103 4.569 7.047 3.871 1.00 42.12 H new ATOM 0 HD12 LEU A 103 6.193 7.627 3.431 1.00 42.12 H new ATOM 0 HD13 LEU A 103 4.879 7.665 2.231 1.00 42.12 H new ATOM 0 HD21 LEU A 103 3.722 4.912 2.979 1.00 22.53 H new ATOM 0 HD22 LEU A 103 3.999 5.443 1.304 1.00 22.53 H new ATOM 0 HD23 LEU A 103 4.727 3.928 1.888 1.00 22.53 H new ATOM 1548 N GLN A 104 8.684 4.784 -0.834 1.00 53.31 N ATOM 1549 CA GLN A 104 8.903 4.519 -2.251 1.00 74.21 C ATOM 1550 C GLN A 104 9.483 3.124 -2.459 1.00 14.23 C ATOM 1551 O GLN A 104 9.162 2.446 -3.435 1.00 23.24 O ATOM 1552 CB GLN A 104 9.839 5.569 -2.850 1.00 25.04 C ATOM 1553 CG GLN A 104 10.299 5.238 -4.261 1.00 42.22 C ATOM 1554 CD GLN A 104 10.260 6.440 -5.184 1.00 71.42 C ATOM 1555 OE1 GLN A 104 11.300 6.957 -5.594 1.00 40.12 O ATOM 1556 NE2 GLN A 104 9.057 6.893 -5.515 1.00 70.40 N ATOM 0 H GLN A 104 9.323 5.469 -0.430 1.00 53.31 H new ATOM 0 HA GLN A 104 7.940 4.572 -2.758 1.00 74.21 H new ATOM 0 HB2 GLN A 104 9.332 6.534 -2.859 1.00 25.04 H new ATOM 0 HB3 GLN A 104 10.713 5.674 -2.207 1.00 25.04 H new ATOM 0 HG2 GLN A 104 11.315 4.845 -4.225 1.00 42.22 H new ATOM 0 HG3 GLN A 104 9.667 4.450 -4.670 1.00 42.22 H new ATOM 0 HE21 GLN A 104 8.222 6.434 -5.152 1.00 70.40 H new ATOM 0 HE22 GLN A 104 8.968 7.700 -6.132 1.00 70.40 H new ATOM 1565 N LYS A 105 10.339 2.700 -1.536 1.00 2.21 N ATOM 1566 CA LYS A 105 10.964 1.386 -1.617 1.00 5.41 C ATOM 1567 C LYS A 105 9.934 0.279 -1.415 1.00 31.14 C ATOM 1568 O LYS A 105 9.916 -0.707 -2.151 1.00 62.31 O ATOM 1569 CB LYS A 105 12.075 1.260 -0.570 1.00 74.14 C ATOM 1570 CG LYS A 105 13.469 1.184 -1.167 1.00 62.33 C ATOM 1571 CD LYS A 105 13.636 -0.056 -2.034 1.00 11.53 C ATOM 1572 CE LYS A 105 15.038 -0.633 -1.913 1.00 72.33 C ATOM 1573 NZ LYS A 105 15.019 -2.035 -1.411 1.00 33.41 N ATOM 0 H LYS A 105 10.616 3.249 -0.722 1.00 2.21 H new ATOM 0 HA LYS A 105 11.396 1.279 -2.612 1.00 5.41 H new ATOM 0 HB2 LYS A 105 12.024 2.114 0.105 1.00 74.14 H new ATOM 0 HB3 LYS A 105 11.897 0.368 0.030 1.00 74.14 H new ATOM 0 HG2 LYS A 105 13.660 2.076 -1.764 1.00 62.33 H new ATOM 0 HG3 LYS A 105 14.209 1.172 -0.367 1.00 62.33 H new ATOM 0 HD2 LYS A 105 12.905 -0.809 -1.740 1.00 11.53 H new ATOM 0 HD3 LYS A 105 13.433 0.196 -3.075 1.00 11.53 H new ATOM 0 HE2 LYS A 105 15.529 -0.602 -2.886 1.00 72.33 H new ATOM 0 HE3 LYS A 105 15.629 -0.014 -1.238 1.00 72.33 H new ATOM 0 HZ1 LYS A 105 15.993 -2.392 -1.342 1.00 33.41 H new ATOM 0 HZ2 LYS A 105 14.574 -2.061 -0.472 1.00 33.41 H new ATOM 0 HZ3 LYS A 105 14.477 -2.632 -2.068 1.00 33.41 H new ATOM 1587 N ILE A 106 9.078 0.450 -0.412 1.00 73.52 N ATOM 1588 CA ILE A 106 8.044 -0.533 -0.116 1.00 13.24 C ATOM 1589 C ILE A 106 6.941 -0.505 -1.169 1.00 52.23 C ATOM 1590 O ILE A 106 6.475 -1.550 -1.622 1.00 31.32 O ATOM 1591 CB ILE A 106 7.418 -0.291 1.272 1.00 44.21 C ATOM 1592 CG1 ILE A 106 6.359 -1.354 1.569 1.00 14.30 C ATOM 1593 CG2 ILE A 106 6.813 1.103 1.345 1.00 12.01 C ATOM 1594 CD1 ILE A 106 5.690 -1.181 2.916 1.00 43.34 C ATOM 0 H ILE A 106 9.081 1.260 0.208 1.00 73.52 H new ATOM 0 HA ILE A 106 8.526 -1.510 -0.124 1.00 13.24 H new ATOM 0 HB ILE A 106 8.202 -0.365 2.026 1.00 44.21 H new ATOM 0 HG12 ILE A 106 5.599 -1.326 0.788 1.00 14.30 H new ATOM 0 HG13 ILE A 106 6.823 -2.339 1.527 1.00 14.30 H new ATOM 0 HG21 ILE A 106 6.375 1.258 2.331 1.00 12.01 H new ATOM 0 HG22 ILE A 106 7.591 1.847 1.172 1.00 12.01 H new ATOM 0 HG23 ILE A 106 6.039 1.204 0.584 1.00 12.01 H new ATOM 0 HD11 ILE A 106 4.951 -1.969 3.059 1.00 43.34 H new ATOM 0 HD12 ILE A 106 6.440 -1.239 3.705 1.00 43.34 H new ATOM 0 HD13 ILE A 106 5.197 -0.210 2.955 1.00 43.34 H new ATOM 1606 N ARG A 107 6.530 0.697 -1.557 1.00 42.23 N ATOM 1607 CA ARG A 107 5.484 0.862 -2.558 1.00 60.10 C ATOM 1608 C ARG A 107 5.972 0.419 -3.934 1.00 11.14 C ATOM 1609 O ARG A 107 5.181 0.009 -4.783 1.00 10.31 O ATOM 1610 CB ARG A 107 5.025 2.320 -2.613 1.00 53.11 C ATOM 1611 CG ARG A 107 5.930 3.212 -3.446 1.00 41.22 C ATOM 1612 CD ARG A 107 5.443 3.316 -4.883 1.00 2.14 C ATOM 1613 NE ARG A 107 6.518 3.680 -5.801 1.00 61.12 N ATOM 1614 CZ ARG A 107 6.424 3.573 -7.122 1.00 51.02 C ATOM 1615 NH1 ARG A 107 5.310 3.115 -7.676 1.00 55.43 N ATOM 1616 NH2 ARG A 107 7.446 3.925 -7.892 1.00 10.33 N ATOM 0 H ARG A 107 6.906 1.572 -1.193 1.00 42.23 H new ATOM 0 HA ARG A 107 4.641 0.234 -2.271 1.00 60.10 H new ATOM 0 HB2 ARG A 107 4.015 2.359 -3.021 1.00 53.11 H new ATOM 0 HB3 ARG A 107 4.974 2.715 -1.598 1.00 53.11 H new ATOM 0 HG2 ARG A 107 5.971 4.207 -3.002 1.00 41.22 H new ATOM 0 HG3 ARG A 107 6.945 2.815 -3.433 1.00 41.22 H new ATOM 0 HD2 ARG A 107 5.012 2.363 -5.189 1.00 2.14 H new ATOM 0 HD3 ARG A 107 4.648 4.059 -4.943 1.00 2.14 H new ATOM 0 HE ARG A 107 7.389 4.036 -5.407 1.00 61.12 H new ATOM 0 HH11 ARG A 107 4.522 2.844 -7.088 1.00 55.43 H new ATOM 0 HH12 ARG A 107 5.241 3.034 -8.690 1.00 55.43 H new ATOM 0 HH21 ARG A 107 8.305 4.278 -7.470 1.00 10.33 H new ATOM 0 HH22 ARG A 107 7.373 3.842 -8.906 1.00 10.33 H new ATOM 1630 N ASP A 108 7.281 0.505 -4.147 1.00 62.22 N ATOM 1631 CA ASP A 108 7.876 0.113 -5.420 1.00 20.14 C ATOM 1632 C ASP A 108 7.577 -1.350 -5.730 1.00 44.03 C ATOM 1633 O ASP A 108 7.359 -1.718 -6.886 1.00 65.23 O ATOM 1634 CB ASP A 108 9.388 0.342 -5.392 1.00 34.42 C ATOM 1635 CG ASP A 108 9.793 1.616 -6.109 1.00 23.42 C ATOM 1636 OD1 ASP A 108 9.241 1.885 -7.196 1.00 64.50 O ATOM 1637 OD2 ASP A 108 10.664 2.341 -5.584 1.00 31.11 O ATOM 0 H ASP A 108 7.950 0.843 -3.455 1.00 62.22 H new ATOM 0 HA ASP A 108 7.437 0.730 -6.204 1.00 20.14 H new ATOM 0 HB2 ASP A 108 9.727 0.387 -4.357 1.00 34.42 H new ATOM 0 HB3 ASP A 108 9.890 -0.508 -5.855 1.00 34.42 H new ATOM 1642 N LEU A 109 7.568 -2.181 -4.694 1.00 73.01 N ATOM 1643 CA LEU A 109 7.296 -3.605 -4.857 1.00 70.00 C ATOM 1644 C LEU A 109 5.818 -3.847 -5.143 1.00 21.32 C ATOM 1645 O LEU A 109 5.462 -4.749 -5.903 1.00 73.44 O ATOM 1646 CB LEU A 109 7.717 -4.372 -3.601 1.00 1.22 C ATOM 1647 CG LEU A 109 9.124 -4.970 -3.621 1.00 73.23 C ATOM 1648 CD1 LEU A 109 10.119 -4.016 -2.979 1.00 13.20 C ATOM 1649 CD2 LEU A 109 9.140 -6.316 -2.913 1.00 13.23 C ATOM 0 H LEU A 109 7.746 -1.893 -3.732 1.00 73.01 H new ATOM 0 HA LEU A 109 7.875 -3.966 -5.707 1.00 70.00 H new ATOM 0 HB2 LEU A 109 7.642 -3.700 -2.746 1.00 1.22 H new ATOM 0 HB3 LEU A 109 7.003 -5.179 -3.436 1.00 1.22 H new ATOM 0 HG LEU A 109 9.418 -5.124 -4.659 1.00 73.23 H new ATOM 0 HD11 LEU A 109 11.115 -4.459 -3.002 1.00 13.20 H new ATOM 0 HD12 LEU A 109 10.127 -3.075 -3.529 1.00 13.20 H new ATOM 0 HD13 LEU A 109 9.829 -3.830 -1.945 1.00 13.20 H new ATOM 0 HD21 LEU A 109 10.149 -6.728 -2.937 1.00 13.23 H new ATOM 0 HD22 LEU A 109 8.825 -6.186 -1.878 1.00 13.23 H new ATOM 0 HD23 LEU A 109 8.457 -7.000 -3.417 1.00 13.23 H new ATOM 1661 N ILE A 110 4.961 -3.037 -4.530 1.00 64.31 N ATOM 1662 CA ILE A 110 3.521 -3.163 -4.722 1.00 71.24 C ATOM 1663 C ILE A 110 3.111 -2.709 -6.119 1.00 45.22 C ATOM 1664 O ILE A 110 2.368 -3.399 -6.815 1.00 63.51 O ATOM 1665 CB ILE A 110 2.740 -2.344 -3.678 1.00 42.51 C ATOM 1666 CG1 ILE A 110 3.436 -2.418 -2.316 1.00 55.14 C ATOM 1667 CG2 ILE A 110 1.307 -2.844 -3.575 1.00 11.23 C ATOM 1668 CD1 ILE A 110 3.807 -3.825 -1.904 1.00 14.41 C ATOM 0 H ILE A 110 5.238 -2.287 -3.897 1.00 64.31 H new ATOM 0 HA ILE A 110 3.277 -4.218 -4.600 1.00 71.24 H new ATOM 0 HB ILE A 110 2.717 -1.302 -3.998 1.00 42.51 H new ATOM 0 HG12 ILE A 110 4.338 -1.806 -2.344 1.00 55.14 H new ATOM 0 HG13 ILE A 110 2.782 -1.987 -1.558 1.00 55.14 H new ATOM 0 HG21 ILE A 110 0.768 -2.255 -2.833 1.00 11.23 H new ATOM 0 HG22 ILE A 110 0.816 -2.744 -4.543 1.00 11.23 H new ATOM 0 HG23 ILE A 110 1.308 -3.892 -3.275 1.00 11.23 H new ATOM 0 HD11 ILE A 110 4.296 -3.802 -0.930 1.00 14.41 H new ATOM 0 HD12 ILE A 110 2.906 -4.436 -1.844 1.00 14.41 H new ATOM 0 HD13 ILE A 110 4.487 -4.253 -2.641 1.00 14.41 H new ATOM 1680 N ALA A 111 3.603 -1.542 -6.523 1.00 51.43 N ATOM 1681 CA ALA A 111 3.290 -0.995 -7.839 1.00 35.14 C ATOM 1682 C ALA A 111 3.610 -2.001 -8.939 1.00 70.14 C ATOM 1683 O ALA A 111 2.814 -2.202 -9.858 1.00 72.22 O ATOM 1684 CB ALA A 111 4.054 0.300 -8.066 1.00 4.11 C ATOM 0 H ALA A 111 4.219 -0.957 -5.959 1.00 51.43 H new ATOM 0 HA ALA A 111 2.221 -0.784 -7.875 1.00 35.14 H new ATOM 0 HB1 ALA A 111 3.811 0.698 -9.051 1.00 4.11 H new ATOM 0 HB2 ALA A 111 3.774 1.026 -7.303 1.00 4.11 H new ATOM 0 HB3 ALA A 111 5.125 0.106 -8.007 1.00 4.11 H new ATOM 1690 N ILE A 112 4.777 -2.627 -8.842 1.00 50.04 N ATOM 1691 CA ILE A 112 5.199 -3.612 -9.831 1.00 21.31 C ATOM 1692 C ILE A 112 4.409 -4.908 -9.688 1.00 25.15 C ATOM 1693 O ILE A 112 4.077 -5.555 -10.680 1.00 5.00 O ATOM 1694 CB ILE A 112 6.703 -3.924 -9.707 1.00 70.04 C ATOM 1695 CG1 ILE A 112 7.131 -4.917 -10.790 1.00 54.14 C ATOM 1696 CG2 ILE A 112 7.019 -4.471 -8.323 1.00 53.12 C ATOM 1697 CD1 ILE A 112 6.941 -4.395 -12.197 1.00 41.43 C ATOM 0 H ILE A 112 5.447 -2.470 -8.089 1.00 50.04 H new ATOM 0 HA ILE A 112 5.005 -3.178 -10.812 1.00 21.31 H new ATOM 0 HB ILE A 112 7.263 -3.000 -9.846 1.00 70.04 H new ATOM 0 HG12 ILE A 112 8.181 -5.171 -10.644 1.00 54.14 H new ATOM 0 HG13 ILE A 112 6.561 -5.838 -10.673 1.00 54.14 H new ATOM 0 HG21 ILE A 112 8.085 -4.686 -8.252 1.00 53.12 H new ATOM 0 HG22 ILE A 112 6.747 -3.732 -7.569 1.00 53.12 H new ATOM 0 HG23 ILE A 112 6.452 -5.387 -8.155 1.00 53.12 H new ATOM 0 HD11 ILE A 112 7.265 -5.151 -12.912 1.00 41.43 H new ATOM 0 HD12 ILE A 112 5.888 -4.167 -12.362 1.00 41.43 H new ATOM 0 HD13 ILE A 112 7.533 -3.490 -12.332 1.00 41.43 H new ATOM 1709 N GLU A 113 4.111 -5.280 -8.446 1.00 23.31 N ATOM 1710 CA GLU A 113 3.359 -6.500 -8.174 1.00 43.31 C ATOM 1711 C GLU A 113 1.980 -6.444 -8.823 1.00 74.33 C ATOM 1712 O GLU A 113 1.447 -7.462 -9.263 1.00 13.40 O ATOM 1713 CB GLU A 113 3.218 -6.712 -6.665 1.00 44.21 C ATOM 1714 CG GLU A 113 2.616 -8.057 -6.295 1.00 62.10 C ATOM 1715 CD GLU A 113 3.649 -9.165 -6.243 1.00 31.00 C ATOM 1716 OE1 GLU A 113 3.894 -9.797 -7.291 1.00 23.01 O ATOM 1717 OE2 GLU A 113 4.214 -9.399 -5.154 1.00 75.11 O ATOM 0 H GLU A 113 4.379 -4.755 -7.614 1.00 23.31 H new ATOM 0 HA GLU A 113 3.908 -7.339 -8.601 1.00 43.31 H new ATOM 0 HB2 GLU A 113 4.200 -6.622 -6.200 1.00 44.21 H new ATOM 0 HB3 GLU A 113 2.596 -5.918 -6.251 1.00 44.21 H new ATOM 0 HG2 GLU A 113 2.126 -7.977 -5.325 1.00 62.10 H new ATOM 0 HG3 GLU A 113 1.846 -8.318 -7.021 1.00 62.10 H new ATOM 1724 N ARG A 114 1.406 -5.246 -8.878 1.00 52.51 N ATOM 1725 CA ARG A 114 0.087 -5.056 -9.470 1.00 11.33 C ATOM 1726 C ARG A 114 0.063 -5.553 -10.913 1.00 4.51 C ATOM 1727 O ARG A 114 -0.830 -6.302 -11.306 1.00 21.51 O ATOM 1728 CB ARG A 114 -0.309 -3.579 -9.421 1.00 73.43 C ATOM 1729 CG ARG A 114 -1.395 -3.274 -8.402 1.00 13.25 C ATOM 1730 CD ARG A 114 -0.812 -2.678 -7.130 1.00 54.00 C ATOM 1731 NE ARG A 114 -1.263 -3.388 -5.935 1.00 50.11 N ATOM 1732 CZ ARG A 114 -0.738 -4.536 -5.521 1.00 75.43 C ATOM 1733 NH1 ARG A 114 0.249 -5.100 -6.201 1.00 4.52 N ATOM 1734 NH2 ARG A 114 -1.203 -5.120 -4.425 1.00 12.05 N ATOM 0 H ARG A 114 1.834 -4.392 -8.520 1.00 52.51 H new ATOM 0 HA ARG A 114 -0.631 -5.637 -8.892 1.00 11.33 H new ATOM 0 HB2 ARG A 114 0.573 -2.982 -9.189 1.00 73.43 H new ATOM 0 HB3 ARG A 114 -0.652 -3.270 -10.409 1.00 73.43 H new ATOM 0 HG2 ARG A 114 -2.116 -2.580 -8.833 1.00 13.25 H new ATOM 0 HG3 ARG A 114 -1.937 -4.188 -8.162 1.00 13.25 H new ATOM 0 HD2 ARG A 114 0.276 -2.709 -7.181 1.00 54.00 H new ATOM 0 HD3 ARG A 114 -1.098 -1.629 -7.057 1.00 54.00 H new ATOM 0 HE ARG A 114 -2.022 -2.980 -5.389 1.00 50.11 H new ATOM 0 HH11 ARG A 114 0.608 -4.653 -7.045 1.00 4.52 H new ATOM 0 HH12 ARG A 114 0.650 -5.981 -5.881 1.00 4.52 H new ATOM 0 HH21 ARG A 114 -1.963 -4.688 -3.900 1.00 12.05 H new ATOM 0 HH22 ARG A 114 -0.800 -6.001 -4.107 1.00 12.05 H new ATOM 1748 N SER A 115 1.050 -5.130 -11.695 1.00 72.11 N ATOM 1749 CA SER A 115 1.140 -5.528 -13.096 1.00 1.53 C ATOM 1750 C SER A 115 1.471 -7.012 -13.217 1.00 62.42 C ATOM 1751 O SER A 115 1.020 -7.685 -14.145 1.00 3.54 O ATOM 1752 CB SER A 115 2.202 -4.695 -13.818 1.00 31.04 C ATOM 1753 OG SER A 115 2.478 -3.500 -13.112 1.00 54.51 O ATOM 0 H SER A 115 1.799 -4.512 -11.383 1.00 72.11 H new ATOM 0 HA SER A 115 0.171 -5.350 -13.563 1.00 1.53 H new ATOM 0 HB2 SER A 115 3.117 -5.278 -13.923 1.00 31.04 H new ATOM 0 HB3 SER A 115 1.859 -4.456 -14.824 1.00 31.04 H new ATOM 0 HG SER A 115 3.160 -2.986 -13.592 1.00 54.51 H new ATOM 1759 N SER A 116 2.262 -7.516 -12.275 1.00 54.22 N ATOM 1760 CA SER A 116 2.657 -8.919 -12.277 1.00 63.54 C ATOM 1761 C SER A 116 1.445 -9.826 -12.083 1.00 70.22 C ATOM 1762 O SER A 116 1.359 -10.900 -12.676 1.00 63.54 O ATOM 1763 CB SER A 116 3.688 -9.183 -11.179 1.00 2.10 C ATOM 1764 OG SER A 116 4.939 -9.551 -11.732 1.00 11.15 O ATOM 0 H SER A 116 2.642 -6.973 -11.500 1.00 54.22 H new ATOM 0 HA SER A 116 3.104 -9.143 -13.246 1.00 63.54 H new ATOM 0 HB2 SER A 116 3.807 -8.290 -10.565 1.00 2.10 H new ATOM 0 HB3 SER A 116 3.330 -9.976 -10.522 1.00 2.10 H new ATOM 0 HG SER A 116 5.581 -9.713 -11.010 1.00 11.15 H new ATOM 1770 N ARG A 117 0.511 -9.383 -11.246 1.00 42.43 N ATOM 1771 CA ARG A 117 -0.695 -10.154 -10.971 1.00 1.31 C ATOM 1772 C ARG A 117 -1.710 -9.994 -12.098 1.00 35.03 C ATOM 1773 O ARG A 117 -2.543 -10.872 -12.329 1.00 1.33 O ATOM 1774 CB ARG A 117 -1.314 -9.713 -9.644 1.00 31.31 C ATOM 1775 CG ARG A 117 -2.513 -10.550 -9.224 1.00 13.55 C ATOM 1776 CD ARG A 117 -2.103 -11.970 -8.868 1.00 65.31 C ATOM 1777 NE ARG A 117 -2.308 -12.262 -7.452 1.00 11.21 N ATOM 1778 CZ ARG A 117 -1.935 -13.397 -6.873 1.00 1.33 C ATOM 1779 NH1 ARG A 117 -1.337 -14.343 -7.585 1.00 75.33 N ATOM 1780 NH2 ARG A 117 -2.157 -13.587 -5.578 1.00 64.34 N ATOM 0 H ARG A 117 0.567 -8.495 -10.747 1.00 42.43 H new ATOM 0 HA ARG A 117 -0.418 -11.206 -10.903 1.00 1.31 H new ATOM 0 HB2 ARG A 117 -0.555 -9.764 -8.864 1.00 31.31 H new ATOM 0 HB3 ARG A 117 -1.620 -8.670 -9.724 1.00 31.31 H new ATOM 0 HG2 ARG A 117 -3.001 -10.085 -8.367 1.00 13.55 H new ATOM 0 HG3 ARG A 117 -3.244 -10.573 -10.033 1.00 13.55 H new ATOM 0 HD2 ARG A 117 -2.677 -12.674 -9.470 1.00 65.31 H new ATOM 0 HD3 ARG A 117 -1.053 -12.118 -9.120 1.00 65.31 H new ATOM 0 HE ARG A 117 -2.763 -11.554 -6.875 1.00 11.21 H new ATOM 0 HH11 ARG A 117 -1.163 -14.199 -8.580 1.00 75.33 H new ATOM 0 HH12 ARG A 117 -1.051 -15.214 -7.138 1.00 75.33 H new ATOM 0 HH21 ARG A 117 -2.614 -12.861 -5.027 1.00 64.34 H new ATOM 0 HH22 ARG A 117 -1.870 -14.459 -5.134 1.00 64.34 H new ATOM 1794 N LEU A 118 -1.638 -8.866 -12.796 1.00 74.33 N ATOM 1795 CA LEU A 118 -2.553 -8.589 -13.898 1.00 64.23 C ATOM 1796 C LEU A 118 -2.101 -9.299 -15.173 1.00 12.43 C ATOM 1797 O LEU A 118 -2.922 -9.808 -15.935 1.00 1.31 O ATOM 1798 CB LEU A 118 -2.644 -7.082 -14.147 1.00 31.23 C ATOM 1799 CG LEU A 118 -3.913 -6.593 -14.845 1.00 73.20 C ATOM 1800 CD1 LEU A 118 -3.985 -7.134 -16.264 1.00 12.44 C ATOM 1801 CD2 LEU A 118 -5.148 -6.999 -14.054 1.00 31.44 C ATOM 0 H LEU A 118 -0.956 -8.129 -12.619 1.00 74.33 H new ATOM 0 HA LEU A 118 -3.538 -8.966 -13.622 1.00 64.23 H new ATOM 0 HB2 LEU A 118 -2.560 -6.570 -13.188 1.00 31.23 H new ATOM 0 HB3 LEU A 118 -1.785 -6.780 -14.746 1.00 31.23 H new ATOM 0 HG LEU A 118 -3.880 -5.505 -14.895 1.00 73.20 H new ATOM 0 HD11 LEU A 118 -4.895 -6.775 -16.745 1.00 12.44 H new ATOM 0 HD12 LEU A 118 -3.118 -6.792 -16.828 1.00 12.44 H new ATOM 0 HD13 LEU A 118 -3.994 -8.224 -16.238 1.00 12.44 H new ATOM 0 HD21 LEU A 118 -6.042 -6.642 -14.566 1.00 31.44 H new ATOM 0 HD22 LEU A 118 -5.186 -8.085 -13.971 1.00 31.44 H new ATOM 0 HD23 LEU A 118 -5.102 -6.561 -13.057 1.00 31.44 H new ATOM 1813 N ASP A 119 -0.792 -9.330 -15.393 1.00 11.34 N ATOM 1814 CA ASP A 119 -0.231 -9.981 -16.570 1.00 1.43 C ATOM 1815 C ASP A 119 -0.681 -9.276 -17.846 1.00 43.14 C ATOM 1816 O ASP A 119 -0.806 -9.898 -18.901 1.00 41.21 O ATOM 1817 CB ASP A 119 -0.643 -11.452 -16.612 1.00 62.33 C ATOM 1818 CG ASP A 119 0.282 -12.288 -17.474 1.00 32.31 C ATOM 1819 OD1 ASP A 119 1.495 -12.326 -17.180 1.00 13.22 O ATOM 1820 OD2 ASP A 119 -0.206 -12.906 -18.444 1.00 4.45 O ATOM 0 H ASP A 119 -0.099 -8.912 -14.772 1.00 11.34 H new ATOM 0 HA ASP A 119 0.855 -9.919 -16.506 1.00 1.43 H new ATOM 0 HB2 ASP A 119 -0.651 -11.853 -15.598 1.00 62.33 H new ATOM 0 HB3 ASP A 119 -1.661 -11.530 -16.994 1.00 62.33 H new ATOM 1825 N GLY A 120 -0.924 -7.972 -17.742 1.00 61.54 N ATOM 1826 CA GLY A 120 -1.360 -7.205 -18.895 1.00 60.42 C ATOM 1827 C GLY A 120 -0.231 -6.415 -19.526 1.00 1.45 C ATOM 1828 O GLY A 120 -0.470 -5.459 -20.263 1.00 12.14 O ATOM 0 H GLY A 120 -0.827 -7.434 -16.881 1.00 61.54 H new ATOM 0 HA2 GLY A 120 -1.786 -7.880 -19.637 1.00 60.42 H new ATOM 0 HA3 GLY A 120 -2.154 -6.521 -18.594 1.00 60.42 H new ATOM 1832 N SER A 121 1.003 -6.814 -19.234 1.00 41.35 N ATOM 1833 CA SER A 121 2.173 -6.133 -19.772 1.00 64.15 C ATOM 1834 C SER A 121 2.116 -4.636 -19.479 1.00 41.42 C ATOM 1835 O SER A 121 1.756 -3.837 -20.343 1.00 3.40 O ATOM 1836 CB SER A 121 2.275 -6.364 -21.283 1.00 54.40 C ATOM 1837 OG SER A 121 3.315 -5.586 -21.848 1.00 40.34 O ATOM 0 H SER A 121 1.217 -7.606 -18.628 1.00 41.35 H new ATOM 0 HA SER A 121 3.057 -6.547 -19.287 1.00 64.15 H new ATOM 0 HB2 SER A 121 2.458 -7.420 -21.481 1.00 54.40 H new ATOM 0 HB3 SER A 121 1.327 -6.110 -21.758 1.00 54.40 H new ATOM 0 HG SER A 121 3.361 -5.752 -22.813 1.00 40.34 H new ATOM 1843 N SER A 122 2.472 -4.267 -18.253 1.00 71.21 N ATOM 1844 CA SER A 122 2.455 -2.868 -17.842 1.00 2.30 C ATOM 1845 C SER A 122 3.811 -2.451 -17.279 1.00 33.30 C ATOM 1846 O SER A 122 4.645 -3.296 -16.950 1.00 44.44 O ATOM 1847 CB SER A 122 1.362 -2.632 -16.798 1.00 63.41 C ATOM 1848 OG SER A 122 0.372 -3.644 -16.861 1.00 41.23 O ATOM 0 H SER A 122 2.775 -4.917 -17.527 1.00 71.21 H new ATOM 0 HA SER A 122 2.243 -2.260 -18.721 1.00 2.30 H new ATOM 0 HB2 SER A 122 1.804 -2.612 -15.802 1.00 63.41 H new ATOM 0 HB3 SER A 122 0.902 -1.658 -16.962 1.00 63.41 H new ATOM 0 HG SER A 122 -0.315 -3.472 -16.183 1.00 41.23 H new ATOM 1854 N LYS A 123 4.023 -1.145 -17.168 1.00 12.14 N ATOM 1855 CA LYS A 123 5.276 -0.615 -16.642 1.00 73.13 C ATOM 1856 C LYS A 123 5.070 0.773 -16.043 1.00 52.34 C ATOM 1857 O LYS A 123 3.942 1.261 -15.952 1.00 44.11 O ATOM 1858 CB LYS A 123 6.331 -0.552 -17.749 1.00 40.22 C ATOM 1859 CG LYS A 123 7.708 -1.016 -17.304 1.00 53.35 C ATOM 1860 CD LYS A 123 8.807 -0.377 -18.136 1.00 33.34 C ATOM 1861 CE LYS A 123 9.411 0.828 -17.432 1.00 54.40 C ATOM 1862 NZ LYS A 123 10.828 1.051 -17.834 1.00 14.22 N ATOM 0 H LYS A 123 3.343 -0.433 -17.435 1.00 12.14 H new ATOM 0 HA LYS A 123 5.623 -1.284 -15.855 1.00 73.13 H new ATOM 0 HB2 LYS A 123 6.003 -1.167 -18.587 1.00 40.22 H new ATOM 0 HB3 LYS A 123 6.402 0.473 -18.114 1.00 40.22 H new ATOM 0 HG2 LYS A 123 7.855 -0.767 -16.253 1.00 53.35 H new ATOM 0 HG3 LYS A 123 7.772 -2.101 -17.387 1.00 53.35 H new ATOM 0 HD2 LYS A 123 9.587 -1.112 -18.336 1.00 33.34 H new ATOM 0 HD3 LYS A 123 8.403 -0.071 -19.101 1.00 33.34 H new ATOM 0 HE2 LYS A 123 8.823 1.716 -17.664 1.00 54.40 H new ATOM 0 HE3 LYS A 123 9.358 0.683 -16.353 1.00 54.40 H new ATOM 0 HZ1 LYS A 123 11.204 1.881 -17.333 1.00 14.22 H new ATOM 0 HZ2 LYS A 123 11.394 0.213 -17.590 1.00 14.22 H new ATOM 0 HZ3 LYS A 123 10.876 1.215 -18.860 1.00 14.22 H new ATOM 1876 N LYS A 124 6.165 1.405 -15.636 1.00 24.24 N ATOM 1877 CA LYS A 124 6.107 2.737 -15.048 1.00 52.35 C ATOM 1878 C LYS A 124 7.508 3.303 -14.840 1.00 12.01 C ATOM 1879 O LYS A 124 7.670 4.423 -14.355 1.00 13.44 O ATOM 1880 CB LYS A 124 5.360 2.695 -13.712 1.00 32.21 C ATOM 1881 CG LYS A 124 4.691 4.010 -13.347 1.00 2.31 C ATOM 1882 CD LYS A 124 4.962 4.390 -11.901 1.00 32.43 C ATOM 1883 CE LYS A 124 6.064 5.432 -11.794 1.00 60.23 C ATOM 1884 NZ LYS A 124 5.993 6.187 -10.513 1.00 20.21 N ATOM 0 H LYS A 124 7.105 1.015 -15.703 1.00 24.24 H new ATOM 0 HA LYS A 124 5.570 3.388 -15.738 1.00 52.35 H new ATOM 0 HB2 LYS A 124 4.604 1.911 -13.753 1.00 32.21 H new ATOM 0 HB3 LYS A 124 6.060 2.422 -12.922 1.00 32.21 H new ATOM 0 HG2 LYS A 124 5.054 4.799 -14.006 1.00 2.31 H new ATOM 0 HG3 LYS A 124 3.616 3.929 -13.508 1.00 2.31 H new ATOM 0 HD2 LYS A 124 4.049 4.777 -11.449 1.00 32.43 H new ATOM 0 HD3 LYS A 124 5.245 3.501 -11.337 1.00 32.43 H new ATOM 0 HE2 LYS A 124 7.035 4.943 -11.874 1.00 60.23 H new ATOM 0 HE3 LYS A 124 5.988 6.128 -12.630 1.00 60.23 H new ATOM 0 HZ1 LYS A 124 6.660 6.984 -10.543 1.00 20.21 H new ATOM 0 HZ2 LYS A 124 5.027 6.548 -10.376 1.00 20.21 H new ATOM 0 HZ3 LYS A 124 6.242 5.557 -9.724 1.00 20.21 H new TER 1898 LYS A 124