USER MOD reduce.3.24.130724 H: found=0, std=0, add=1347, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 1347 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 81 THR OG1 : rot 155:sc= 0.287 USER MOD Set 1.2: A 146 GLN :FLIP amide:sc= 0.263 F(o=-0.73,f=0.55) USER MOD Set 2.1: A 34 MET CE :methyl -178:sc= -1.8 (180deg=-1.86) USER MOD Set 2.2: A 51 MET CE :methyl 144:sc= -0.935 (180deg=-2.97!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -112:sc= 0.185 (180deg=0) USER MOD Single : A 3 SER OG : rot -39:sc= 0.668 USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 10 HIS :FLIP no HE2:sc= 0.508 F(o=-1.8!,f=0.51) USER MOD Single : A 13 HIS : no HD1:sc= -0.075 X(o=-0.075,f=-0.11) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 THR OG1 : rot -9:sc= -0.0364 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 GLN : amide:sc= -9.51! C(o=-9.5!,f=-14!) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 SER OG : rot 150:sc= 0.842 USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 MET CE :methyl -146:sc= -2.68! (180deg=-3.58!) USER MOD Single : A 57 TYR OH : rot 180:sc= -1.05 USER MOD Single : A 61 ASN : amide:sc= 0.0214 K(o=0.021,f=-0.88) USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 GLN : amide:sc= 0 K(o=0,f=-0.51) USER MOD Single : A 76 ASN : amide:sc= 0.0599 K(o=0.06,f=-0.95) USER MOD Single : A 85 LYS NZ :NH3+ -176:sc= 1.21 (180deg=1.16) USER MOD Single : A 91 SER OG : rot 52:sc= 0.184 USER MOD Single : A 92 THR OG1 : rot 180:sc= -0.202 USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 105 THR OG1 : rot 180:sc= 0 USER MOD Single : A 109 THR OG1 : rot 120:sc= 0.397 USER MOD Single : A 112 MET CE :methyl 132:sc= -1.44 (180deg=-3.87!) USER MOD Single : A 115 LYS NZ :NH3+ 177:sc= 1.25 (180deg=1.21) USER MOD Single : A 126 LYS NZ :NH3+ -168:sc=-0.00875 (180deg=-0.123) USER MOD Single : A 130 THR OG1 : rot 180:sc= 0 USER MOD Single : A 134 GLN : amide:sc= -0.0111 K(o=-0.011,f=-0.74) USER MOD Single : A 135 SER OG : rot 180:sc= -2.91! USER MOD Single : A 142 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 145 GLN : amide:sc= -0.399 X(o=-0.4,f=-0.72) USER MOD Single : A 150 SER OG : rot 180:sc= 0 USER MOD Single : A 152 GLN : amide:sc= 0 K(o=0,f=-0.56) USER MOD Single : A 157 SER OG : rot -160:sc= -0.0691 USER MOD Single : A 160 SER OG : rot 71:sc= 0.626 USER MOD Single : A 164 THR OG1 : rot 122:sc= -0.0842 USER MOD Single : A 168 MET CE :methyl -149:sc= -0.423 (180deg=-1.45!) USER MOD Single : A 169 GLN : amide:sc= 0 X(o=0,f=-0.38) USER MOD Single : A 171 THR OG1 : rot 57:sc= 0.0271 USER MOD Single : A 172 THR OG1 : rot 180:sc= 0 USER MOD Single : A 173 SER OG : rot -56:sc= 0.548 USER MOD Single : A 180 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -55.858 9.268 18.340 1.00 33.65 N ATOM 2 CA MET A 1 -56.954 8.804 17.460 1.00 33.45 C ATOM 3 C MET A 1 -57.002 7.276 17.454 1.00 33.18 C ATOM 4 O MET A 1 -56.135 6.646 18.066 1.00 33.13 O ATOM 5 CB MET A 1 -56.765 9.359 16.037 1.00 33.33 C ATOM 6 CG MET A 1 -57.923 9.104 15.087 1.00 33.70 C ATOM 7 SD MET A 1 -59.479 9.796 15.676 1.00 34.05 S ATOM 8 CE MET A 1 -60.558 9.367 14.314 1.00 34.32 C ATOM 0 H1 MET A 1 -56.260 9.741 19.175 1.00 33.65 H new ATOM 0 H2 MET A 1 -55.288 8.453 18.644 1.00 33.65 H new ATOM 0 H3 MET A 1 -55.255 9.937 17.820 1.00 33.65 H new ATOM 0 HA MET A 1 -57.905 9.176 17.842 1.00 33.45 H new ATOM 0 HB2 MET A 1 -56.599 10.434 16.102 1.00 33.33 H new ATOM 0 HB3 MET A 1 -55.862 8.922 15.610 1.00 33.33 H new ATOM 0 HG2 MET A 1 -57.687 9.531 14.112 1.00 33.70 H new ATOM 0 HG3 MET A 1 -58.040 8.030 14.945 1.00 33.70 H new ATOM 0 HE1 MET A 1 -61.566 9.726 14.521 1.00 34.32 H new ATOM 0 HE2 MET A 1 -60.189 9.829 13.398 1.00 34.32 H new ATOM 0 HE3 MET A 1 -60.576 8.284 14.192 1.00 34.32 H new ATOM 20 N GLY A 2 -57.991 6.680 16.801 1.00 33.09 N ATOM 21 CA GLY A 2 -58.059 5.231 16.724 1.00 32.90 C ATOM 22 C GLY A 2 -56.768 4.605 16.219 1.00 32.89 C ATOM 23 O GLY A 2 -56.042 5.208 15.421 1.00 32.86 O ATOM 0 H GLY A 2 -58.747 7.171 16.324 1.00 33.09 H new ATOM 0 HA2 GLY A 2 -58.290 4.830 17.711 1.00 32.90 H new ATOM 0 HA3 GLY A 2 -58.878 4.945 16.064 1.00 32.90 H new ATOM 27 N SER A 3 -56.458 3.416 16.730 1.00 32.98 N ATOM 28 CA SER A 3 -55.301 2.638 16.285 1.00 33.04 C ATOM 29 C SER A 3 -53.982 3.376 16.546 1.00 32.62 C ATOM 30 O SER A 3 -52.939 3.015 16.000 1.00 32.63 O ATOM 31 CB SER A 3 -55.443 2.303 14.792 1.00 33.70 C ATOM 32 OG SER A 3 -54.434 1.402 14.361 1.00 34.12 O ATOM 0 H SER A 3 -57.001 2.963 17.465 1.00 32.98 H new ATOM 0 HA SER A 3 -55.274 1.714 16.863 1.00 33.04 H new ATOM 0 HB2 SER A 3 -56.425 1.866 14.608 1.00 33.70 H new ATOM 0 HB3 SER A 3 -55.387 3.220 14.206 1.00 33.70 H new ATOM 0 HG SER A 3 -53.582 1.637 14.785 1.00 34.12 H new ATOM 38 N ALA A 4 -54.022 4.402 17.389 1.00 32.32 N ATOM 39 CA ALA A 4 -52.841 5.214 17.646 1.00 31.97 C ATOM 40 C ALA A 4 -52.720 5.572 19.120 1.00 31.64 C ATOM 41 O ALA A 4 -52.043 6.538 19.481 1.00 31.19 O ATOM 42 CB ALA A 4 -52.872 6.476 16.794 1.00 31.74 C ATOM 0 H ALA A 4 -54.855 4.689 17.903 1.00 32.32 H new ATOM 0 HA ALA A 4 -51.965 4.624 17.375 1.00 31.97 H new ATOM 0 HB1 ALA A 4 -51.983 7.074 16.996 1.00 31.74 H new ATOM 0 HB2 ALA A 4 -52.893 6.202 15.739 1.00 31.74 H new ATOM 0 HB3 ALA A 4 -53.762 7.057 17.036 1.00 31.74 H new ATOM 48 N THR A 5 -53.372 4.793 19.969 1.00 31.95 N ATOM 49 CA THR A 5 -53.317 5.020 21.403 1.00 31.80 C ATOM 50 C THR A 5 -51.944 4.627 21.949 1.00 31.31 C ATOM 51 O THR A 5 -51.511 3.478 21.815 1.00 31.16 O ATOM 52 CB THR A 5 -54.425 4.229 22.126 1.00 32.30 C ATOM 53 OG1 THR A 5 -55.698 4.555 21.549 1.00 32.53 O ATOM 54 CG2 THR A 5 -54.450 4.547 23.613 1.00 32.74 C ATOM 0 H THR A 5 -53.946 3.998 19.689 1.00 31.95 H new ATOM 0 HA THR A 5 -53.479 6.082 21.587 1.00 31.80 H new ATOM 0 HB THR A 5 -54.218 3.165 22.007 1.00 32.30 H new ATOM 0 HG1 THR A 5 -56.403 4.051 22.007 1.00 32.53 H new ATOM 0 HG21 THR A 5 -55.242 3.973 24.094 1.00 32.74 H new ATOM 0 HG22 THR A 5 -53.490 4.284 24.057 1.00 32.74 H new ATOM 0 HG23 THR A 5 -54.636 5.612 23.754 1.00 32.74 H new ATOM 62 N VAL A 6 -51.255 5.596 22.538 1.00 31.15 N ATOM 63 CA VAL A 6 -49.904 5.386 23.037 1.00 30.77 C ATOM 64 C VAL A 6 -49.915 4.523 24.300 1.00 30.24 C ATOM 65 O VAL A 6 -50.816 4.627 25.133 1.00 30.59 O ATOM 66 CB VAL A 6 -49.197 6.736 23.315 1.00 31.07 C ATOM 67 CG1 VAL A 6 -49.805 7.451 24.514 1.00 31.29 C ATOM 68 CG2 VAL A 6 -47.704 6.530 23.505 1.00 31.20 C ATOM 0 H VAL A 6 -51.613 6.540 22.682 1.00 31.15 H new ATOM 0 HA VAL A 6 -49.345 4.859 22.264 1.00 30.77 H new ATOM 0 HB VAL A 6 -49.348 7.374 22.444 1.00 31.07 H new ATOM 0 HG11 VAL A 6 -49.283 8.394 24.678 1.00 31.29 H new ATOM 0 HG12 VAL A 6 -50.860 7.648 24.323 1.00 31.29 H new ATOM 0 HG13 VAL A 6 -49.708 6.823 25.400 1.00 31.29 H new ATOM 0 HG21 VAL A 6 -47.226 7.490 23.699 1.00 31.20 H new ATOM 0 HG22 VAL A 6 -47.533 5.862 24.350 1.00 31.20 H new ATOM 0 HG23 VAL A 6 -47.280 6.089 22.603 1.00 31.20 H new ATOM 78 N ASN A 7 -48.924 3.648 24.412 1.00 29.46 N ATOM 79 CA ASN A 7 -48.798 2.765 25.567 1.00 28.96 C ATOM 80 C ASN A 7 -47.840 3.363 26.585 1.00 28.50 C ATOM 81 O ASN A 7 -48.137 3.424 27.775 1.00 28.42 O ATOM 82 CB ASN A 7 -48.299 1.384 25.133 1.00 28.74 C ATOM 83 CG ASN A 7 -49.335 0.606 24.345 1.00 28.54 C ATOM 84 OD1 ASN A 7 -50.170 -0.094 24.916 1.00 28.57 O ATOM 85 ND2 ASN A 7 -49.283 0.709 23.028 1.00 28.41 N ATOM 0 H ASN A 7 -48.191 3.530 23.713 1.00 29.46 H new ATOM 0 HA ASN A 7 -49.781 2.656 26.025 1.00 28.96 H new ATOM 0 HB2 ASN A 7 -47.401 1.501 24.527 1.00 28.74 H new ATOM 0 HB3 ASN A 7 -48.015 0.811 26.016 1.00 28.74 H new ATOM 0 HD21 ASN A 7 -49.950 0.198 22.450 1.00 28.41 H new ATOM 0 HD22 ASN A 7 -48.576 1.300 22.590 1.00 28.41 H new ATOM 92 N GLY A 8 -46.685 3.798 26.106 1.00 28.28 N ATOM 93 CA GLY A 8 -45.690 4.376 26.980 1.00 27.93 C ATOM 94 C GLY A 8 -45.074 5.616 26.377 1.00 27.61 C ATOM 95 O GLY A 8 -45.092 5.776 25.155 1.00 27.61 O ATOM 0 H GLY A 8 -46.419 3.760 25.122 1.00 28.28 H new ATOM 0 HA2 GLY A 8 -46.147 4.625 27.938 1.00 27.93 H new ATOM 0 HA3 GLY A 8 -44.910 3.642 27.180 1.00 27.93 H new ATOM 99 N PRO A 9 -44.517 6.508 27.207 1.00 27.42 N ATOM 100 CA PRO A 9 -43.951 7.782 26.750 1.00 27.20 C ATOM 101 C PRO A 9 -42.833 7.609 25.723 1.00 26.67 C ATOM 102 O PRO A 9 -42.922 8.138 24.614 1.00 26.59 O ATOM 103 CB PRO A 9 -43.409 8.431 28.030 1.00 27.23 C ATOM 104 CG PRO A 9 -43.321 7.326 29.030 1.00 27.37 C ATOM 105 CD PRO A 9 -44.404 6.352 28.666 1.00 27.51 C ATOM 0 HA PRO A 9 -44.704 8.383 26.240 1.00 27.20 H new ATOM 0 HB2 PRO A 9 -42.432 8.883 27.858 1.00 27.23 H new ATOM 0 HB3 PRO A 9 -44.070 9.224 28.378 1.00 27.23 H new ATOM 0 HG2 PRO A 9 -42.341 6.849 29.000 1.00 27.37 H new ATOM 0 HG3 PRO A 9 -43.460 7.704 30.043 1.00 27.37 H new ATOM 0 HD2 PRO A 9 -44.138 5.332 28.943 1.00 27.51 H new ATOM 0 HD3 PRO A 9 -45.342 6.585 29.170 1.00 27.51 H new ATOM 113 N HIS A 10 -41.796 6.847 26.098 1.00 26.41 N ATOM 114 CA HIS A 10 -40.597 6.661 25.268 1.00 25.98 C ATOM 115 C HIS A 10 -39.812 7.966 25.145 1.00 25.20 C ATOM 116 O HIS A 10 -40.384 9.039 24.965 1.00 24.97 O ATOM 117 CB HIS A 10 -40.950 6.131 23.870 1.00 26.32 C ATOM 118 CG HIS A 10 -41.471 4.724 23.857 1.00 26.28 C ATOM 119 ND1 HIS A 10 -42.689 4.224 24.175 1.00 26.46 N flip ATOM 120 CD2 HIS A 10 -40.716 3.644 23.454 1.00 26.19 C flip ATOM 121 CE1 HIS A 10 -42.643 2.871 23.957 1.00 26.48 C flip ATOM 122 NE2 HIS A 10 -41.445 2.547 23.524 1.00 26.32 N flip ATOM 0 H HIS A 10 -41.764 6.343 26.984 1.00 26.41 H new ATOM 0 HA HIS A 10 -39.975 5.917 25.766 1.00 25.98 H new ATOM 0 HB2 HIS A 10 -41.697 6.787 23.423 1.00 26.32 H new ATOM 0 HB3 HIS A 10 -40.062 6.183 23.239 1.00 26.32 H new ATOM 0 HD1 HIS A 10 -43.491 4.755 24.514 1.00 26.46 H new ATOM 0 HD2 HIS A 10 -39.686 3.689 23.131 1.00 26.19 H new ATOM 0 HE1 HIS A 10 -43.460 2.182 24.116 1.00 26.48 H new ATOM 131 N ASP A 11 -38.494 7.871 25.248 1.00 24.90 N ATOM 132 CA ASP A 11 -37.637 9.052 25.155 1.00 24.25 C ATOM 133 C ASP A 11 -37.567 9.566 23.727 1.00 23.73 C ATOM 134 O ASP A 11 -37.261 10.736 23.494 1.00 23.90 O ATOM 135 CB ASP A 11 -36.223 8.756 25.660 1.00 24.28 C ATOM 136 CG ASP A 11 -36.099 8.851 27.164 1.00 24.24 C ATOM 137 OD1 ASP A 11 -36.519 7.899 27.857 1.00 24.51 O1- ATOM 138 OD2 ASP A 11 -35.590 9.876 27.663 1.00 24.02 O ATOM 0 H ASP A 11 -37.993 6.995 25.395 1.00 24.90 H new ATOM 0 HA ASP A 11 -38.082 9.820 25.788 1.00 24.25 H new ATOM 0 HB2 ASP A 11 -35.931 7.756 25.340 1.00 24.28 H new ATOM 0 HB3 ASP A 11 -35.525 9.455 25.199 1.00 24.28 H new ATOM 143 N GLY A 12 -37.832 8.687 22.774 1.00 23.19 N ATOM 144 CA GLY A 12 -37.827 9.081 21.384 1.00 22.76 C ATOM 145 C GLY A 12 -38.219 7.946 20.463 1.00 21.82 C ATOM 146 O GLY A 12 -37.699 6.836 20.578 1.00 21.65 O ATOM 0 H GLY A 12 -38.051 7.705 22.940 1.00 23.19 H new ATOM 0 HA2 GLY A 12 -38.515 9.915 21.243 1.00 22.76 H new ATOM 0 HA3 GLY A 12 -36.833 9.438 21.114 1.00 22.76 H new ATOM 150 N HIS A 13 -39.146 8.220 19.560 1.00 21.31 N ATOM 151 CA HIS A 13 -39.566 7.246 18.566 1.00 20.46 C ATOM 152 C HIS A 13 -39.818 7.952 17.237 1.00 19.83 C ATOM 153 O HIS A 13 -40.961 8.153 16.827 1.00 19.78 O ATOM 154 CB HIS A 13 -40.823 6.498 19.039 1.00 20.39 C ATOM 155 CG HIS A 13 -41.356 5.489 18.065 1.00 20.50 C ATOM 156 ND1 HIS A 13 -42.566 5.636 17.426 1.00 20.49 N ATOM 157 CD2 HIS A 13 -40.847 4.310 17.637 1.00 20.77 C ATOM 158 CE1 HIS A 13 -42.781 4.593 16.649 1.00 20.74 C ATOM 159 NE2 HIS A 13 -41.753 3.772 16.758 1.00 20.92 N ATOM 0 H HIS A 13 -39.626 9.118 19.495 1.00 21.31 H new ATOM 0 HA HIS A 13 -38.775 6.509 18.429 1.00 20.46 H new ATOM 0 HB2 HIS A 13 -40.597 5.992 19.978 1.00 20.39 H new ATOM 0 HB3 HIS A 13 -41.605 7.227 19.250 1.00 20.39 H new ATOM 0 HD2 HIS A 13 -39.904 3.874 17.932 1.00 20.77 H new ATOM 0 HE1 HIS A 13 -43.651 4.437 16.028 1.00 20.74 H new ATOM 0 HE2 HIS A 13 -41.649 2.883 16.269 1.00 20.92 H new ATOM 168 N ASP A 14 -38.740 8.339 16.576 1.00 19.48 N ATOM 169 CA ASP A 14 -38.829 9.054 15.311 1.00 18.98 C ATOM 170 C ASP A 14 -37.800 8.515 14.327 1.00 18.18 C ATOM 171 O ASP A 14 -36.621 8.869 14.396 1.00 18.03 O ATOM 172 CB ASP A 14 -38.610 10.562 15.516 1.00 19.31 C ATOM 173 CG ASP A 14 -39.681 11.211 16.374 1.00 19.60 C ATOM 174 OD1 ASP A 14 -39.561 11.174 17.621 1.00 19.65 O1- ATOM 175 OD2 ASP A 14 -40.652 11.767 15.810 1.00 19.89 O ATOM 0 H ASP A 14 -37.786 8.169 16.896 1.00 19.48 H new ATOM 0 HA ASP A 14 -39.829 8.900 14.906 1.00 18.98 H new ATOM 0 HB2 ASP A 14 -37.636 10.721 15.979 1.00 19.31 H new ATOM 0 HB3 ASP A 14 -38.585 11.054 14.544 1.00 19.31 H new ATOM 180 N PRO A 15 -38.215 7.628 13.409 1.00 17.80 N ATOM 181 CA PRO A 15 -37.329 7.094 12.380 1.00 17.14 C ATOM 182 C PRO A 15 -37.066 8.110 11.274 1.00 16.68 C ATOM 183 O PRO A 15 -37.578 7.972 10.160 1.00 16.69 O ATOM 184 CB PRO A 15 -38.078 5.868 11.827 1.00 17.09 C ATOM 185 CG PRO A 15 -39.296 5.716 12.684 1.00 17.72 C ATOM 186 CD PRO A 15 -39.560 7.060 13.304 1.00 18.12 C ATOM 0 HA PRO A 15 -36.348 6.843 12.784 1.00 17.14 H new ATOM 0 HB2 PRO A 15 -38.351 6.015 10.782 1.00 17.09 H new ATOM 0 HB3 PRO A 15 -37.454 4.975 11.872 1.00 17.09 H new ATOM 0 HG2 PRO A 15 -40.149 5.390 12.089 1.00 17.72 H new ATOM 0 HG3 PRO A 15 -39.136 4.960 13.453 1.00 17.72 H new ATOM 0 HD2 PRO A 15 -40.212 7.673 12.682 1.00 18.12 H new ATOM 0 HD3 PRO A 15 -40.040 6.971 14.278 1.00 18.12 H new ATOM 194 N ALA A 16 -36.283 9.127 11.568 1.00 16.42 N ATOM 195 CA ALA A 16 -35.946 10.124 10.568 1.00 16.13 C ATOM 196 C ALA A 16 -34.780 9.643 9.714 1.00 15.32 C ATOM 197 O ALA A 16 -34.793 9.771 8.485 1.00 15.30 O ATOM 198 CB ALA A 16 -35.615 11.450 11.235 1.00 16.58 C ATOM 0 H ALA A 16 -35.869 9.287 12.486 1.00 16.42 H new ATOM 0 HA ALA A 16 -36.808 10.274 9.918 1.00 16.13 H new ATOM 0 HB1 ALA A 16 -35.364 12.188 10.473 1.00 16.58 H new ATOM 0 HB2 ALA A 16 -36.477 11.796 11.805 1.00 16.58 H new ATOM 0 HB3 ALA A 16 -34.766 11.318 11.906 1.00 16.58 H new ATOM 204 N ALA A 17 -33.795 9.048 10.377 1.00 14.80 N ATOM 205 CA ALA A 17 -32.571 8.605 9.726 1.00 14.13 C ATOM 206 C ALA A 17 -32.800 7.341 8.902 1.00 13.59 C ATOM 207 O ALA A 17 -33.930 6.874 8.758 1.00 13.72 O ATOM 208 CB ALA A 17 -31.487 8.369 10.766 1.00 14.36 C ATOM 0 H ALA A 17 -33.824 8.860 11.379 1.00 14.80 H new ATOM 0 HA ALA A 17 -32.249 9.390 9.042 1.00 14.13 H new ATOM 0 HB1 ALA A 17 -30.574 8.038 10.271 1.00 14.36 H new ATOM 0 HB2 ALA A 17 -31.292 9.296 11.305 1.00 14.36 H new ATOM 0 HB3 ALA A 17 -31.817 7.604 11.468 1.00 14.36 H new ATOM 214 N GLY A 18 -31.720 6.788 8.374 1.00 13.17 N ATOM 215 CA GLY A 18 -31.811 5.628 7.522 1.00 12.81 C ATOM 216 C GLY A 18 -30.528 4.840 7.550 1.00 12.32 C ATOM 217 O GLY A 18 -29.461 5.374 7.239 1.00 12.26 O ATOM 0 H GLY A 18 -30.771 7.130 8.525 1.00 13.17 H new ATOM 0 HA2 GLY A 18 -32.638 4.997 7.847 1.00 12.81 H new ATOM 0 HA3 GLY A 18 -32.030 5.938 6.500 1.00 12.81 H new ATOM 221 N ALA A 19 -30.630 3.588 7.954 1.00 12.17 N ATOM 222 CA ALA A 19 -29.478 2.709 8.063 1.00 11.91 C ATOM 223 C ALA A 19 -28.954 2.308 6.702 1.00 11.79 C ATOM 224 O ALA A 19 -29.195 1.206 6.201 1.00 11.90 O ATOM 225 CB ALA A 19 -29.786 1.490 8.884 1.00 11.75 C ATOM 0 H ALA A 19 -31.513 3.150 8.216 1.00 12.17 H new ATOM 0 HA ALA A 19 -28.699 3.274 8.575 1.00 11.91 H new ATOM 0 HB1 ALA A 19 -28.900 0.857 8.942 1.00 11.75 H new ATOM 0 HB2 ALA A 19 -30.082 1.793 9.888 1.00 11.75 H new ATOM 0 HB3 ALA A 19 -30.599 0.933 8.418 1.00 11.75 H new ATOM 231 N GLU A 20 -28.243 3.235 6.135 1.00 11.76 N ATOM 232 CA GLU A 20 -27.600 3.075 4.848 1.00 11.81 C ATOM 233 C GLU A 20 -26.509 4.125 4.685 1.00 11.36 C ATOM 234 O GLU A 20 -26.676 5.097 3.945 1.00 11.31 O ATOM 235 CB GLU A 20 -28.632 3.192 3.730 1.00 12.34 C ATOM 236 CG GLU A 20 -28.096 2.842 2.354 1.00 12.69 C ATOM 237 CD GLU A 20 -29.178 2.867 1.305 1.00 13.43 C ATOM 238 OE1 GLU A 20 -29.931 1.878 1.193 1.00 13.77 O1- ATOM 239 OE2 GLU A 20 -29.275 3.875 0.574 1.00 13.82 O ATOM 0 H GLU A 20 -28.085 4.150 6.558 1.00 11.76 H new ATOM 0 HA GLU A 20 -27.144 2.086 4.792 1.00 11.81 H new ATOM 0 HB2 GLU A 20 -29.474 2.538 3.957 1.00 12.34 H new ATOM 0 HB3 GLU A 20 -29.016 4.212 3.710 1.00 12.34 H new ATOM 0 HG2 GLU A 20 -27.310 3.546 2.081 1.00 12.69 H new ATOM 0 HG3 GLU A 20 -27.641 1.852 2.383 1.00 12.69 H new ATOM 246 N LEU A 21 -25.417 3.942 5.437 1.00 11.26 N ATOM 247 CA LEU A 21 -24.229 4.820 5.381 1.00 11.08 C ATOM 248 C LEU A 21 -24.484 6.129 6.113 1.00 10.75 C ATOM 249 O LEU A 21 -23.634 6.625 6.850 1.00 10.51 O ATOM 250 CB LEU A 21 -23.791 5.091 3.933 1.00 11.53 C ATOM 251 CG LEU A 21 -22.985 3.971 3.268 1.00 11.78 C ATOM 252 CD1 LEU A 21 -21.645 3.788 3.965 1.00 11.96 C ATOM 253 CD2 LEU A 21 -23.771 2.670 3.276 1.00 12.13 C ATOM 0 H LEU A 21 -25.327 3.178 6.107 1.00 11.26 H new ATOM 0 HA LEU A 21 -23.416 4.295 5.882 1.00 11.08 H new ATOM 0 HB2 LEU A 21 -24.680 5.281 3.332 1.00 11.53 H new ATOM 0 HB3 LEU A 21 -23.195 6.003 3.917 1.00 11.53 H new ATOM 0 HG LEU A 21 -22.797 4.254 2.232 1.00 11.78 H new ATOM 0 HD11 LEU A 21 -21.088 2.988 3.478 1.00 11.96 H new ATOM 0 HD12 LEU A 21 -21.075 4.715 3.907 1.00 11.96 H new ATOM 0 HD13 LEU A 21 -21.811 3.530 5.011 1.00 11.96 H new ATOM 0 HD21 LEU A 21 -23.182 1.886 2.799 1.00 12.13 H new ATOM 0 HD22 LEU A 21 -23.991 2.384 4.305 1.00 12.13 H new ATOM 0 HD23 LEU A 21 -24.704 2.805 2.730 1.00 12.13 H new ATOM 265 N LYS A 22 -25.664 6.675 5.884 1.00 10.97 N ATOM 266 CA LYS A 22 -26.166 7.825 6.619 1.00 10.97 C ATOM 267 C LYS A 22 -26.359 7.439 8.079 1.00 10.51 C ATOM 268 O LYS A 22 -26.343 8.282 8.974 1.00 10.50 O ATOM 269 CB LYS A 22 -27.503 8.250 6.005 1.00 11.77 C ATOM 270 CG LYS A 22 -28.138 9.464 6.658 1.00 12.31 C ATOM 271 CD LYS A 22 -29.454 9.813 5.987 1.00 13.08 C ATOM 272 CE LYS A 22 -30.082 11.056 6.586 1.00 13.66 C ATOM 273 NZ LYS A 22 -31.320 11.445 5.862 1.00 14.10 N1+ ATOM 0 H LYS A 22 -26.310 6.329 5.174 1.00 10.97 H new ATOM 0 HA LYS A 22 -25.459 8.653 6.562 1.00 10.97 H new ATOM 0 HB2 LYS A 22 -27.352 8.460 4.946 1.00 11.77 H new ATOM 0 HB3 LYS A 22 -28.199 7.414 6.068 1.00 11.77 H new ATOM 0 HG2 LYS A 22 -28.306 9.266 7.717 1.00 12.31 H new ATOM 0 HG3 LYS A 22 -27.457 10.313 6.596 1.00 12.31 H new ATOM 0 HD2 LYS A 22 -29.288 9.968 4.921 1.00 13.08 H new ATOM 0 HD3 LYS A 22 -30.144 8.975 6.084 1.00 13.08 H new ATOM 0 HE2 LYS A 22 -30.314 10.877 7.636 1.00 13.66 H new ATOM 0 HE3 LYS A 22 -29.367 11.878 6.553 1.00 13.66 H new ATOM 0 HZ1 LYS A 22 -31.723 12.299 6.298 1.00 14.10 H new ATOM 0 HZ2 LYS A 22 -31.093 11.639 4.866 1.00 14.10 H new ATOM 0 HZ3 LYS A 22 -32.011 10.670 5.915 1.00 14.10 H new ATOM 287 N THR A 23 -26.548 6.145 8.298 1.00 10.33 N ATOM 288 CA THR A 23 -26.822 5.597 9.617 1.00 10.01 C ATOM 289 C THR A 23 -26.619 4.092 9.572 1.00 10.01 C ATOM 290 O THR A 23 -26.760 3.486 8.516 1.00 10.38 O ATOM 291 CB THR A 23 -28.273 5.920 10.074 1.00 10.64 C ATOM 292 OG1 THR A 23 -28.457 7.336 10.199 1.00 10.93 O ATOM 293 CG2 THR A 23 -28.612 5.255 11.403 1.00 11.05 C ATOM 0 H THR A 23 -26.515 5.442 7.560 1.00 10.33 H new ATOM 0 HA THR A 23 -26.139 6.051 10.335 1.00 10.01 H new ATOM 0 HB THR A 23 -28.942 5.525 9.310 1.00 10.64 H new ATOM 0 HG1 THR A 23 -27.591 7.787 10.118 1.00 10.93 H new ATOM 0 HG21 THR A 23 -29.634 5.507 11.685 1.00 11.05 H new ATOM 0 HG22 THR A 23 -28.519 4.174 11.303 1.00 11.05 H new ATOM 0 HG23 THR A 23 -27.926 5.609 12.172 1.00 11.05 H new ATOM 301 N GLY A 24 -26.237 3.503 10.690 1.00 9.82 N ATOM 302 CA GLY A 24 -26.156 2.062 10.765 1.00 10.05 C ATOM 303 C GLY A 24 -24.842 1.599 11.325 1.00 9.39 C ATOM 304 O GLY A 24 -24.596 1.689 12.527 1.00 9.61 O ATOM 0 H GLY A 24 -25.982 3.995 11.546 1.00 9.82 H new ATOM 0 HA2 GLY A 24 -26.968 1.686 11.387 1.00 10.05 H new ATOM 0 HA3 GLY A 24 -26.295 1.639 9.770 1.00 10.05 H new ATOM 308 N LYS A 25 -23.989 1.120 10.451 1.00 8.70 N ATOM 309 CA LYS A 25 -22.670 0.704 10.854 1.00 8.11 C ATOM 310 C LYS A 25 -21.666 1.618 10.196 1.00 7.19 C ATOM 311 O LYS A 25 -20.830 1.208 9.395 1.00 6.94 O ATOM 312 CB LYS A 25 -22.400 -0.781 10.553 1.00 8.62 C ATOM 313 CG LYS A 25 -22.568 -1.198 9.099 1.00 9.02 C ATOM 314 CD LYS A 25 -24.004 -1.570 8.787 1.00 9.74 C ATOM 315 CE LYS A 25 -24.141 -2.137 7.384 1.00 10.22 C ATOM 316 NZ LYS A 25 -25.549 -2.486 7.064 1.00 10.38 N1+ ATOM 0 H LYS A 25 -24.186 1.009 9.456 1.00 8.70 H new ATOM 0 HA LYS A 25 -22.581 0.788 11.937 1.00 8.11 H new ATOM 0 HB2 LYS A 25 -21.383 -1.017 10.865 1.00 8.62 H new ATOM 0 HB3 LYS A 25 -23.070 -1.385 11.165 1.00 8.62 H new ATOM 0 HG2 LYS A 25 -22.253 -0.383 8.448 1.00 9.02 H new ATOM 0 HG3 LYS A 25 -21.917 -2.046 8.886 1.00 9.02 H new ATOM 0 HD2 LYS A 25 -24.357 -2.303 9.513 1.00 9.74 H new ATOM 0 HD3 LYS A 25 -24.639 -0.690 8.888 1.00 9.74 H new ATOM 0 HE2 LYS A 25 -23.774 -1.409 6.661 1.00 10.22 H new ATOM 0 HE3 LYS A 25 -23.516 -3.025 7.288 1.00 10.22 H new ATOM 0 HZ1 LYS A 25 -25.601 -2.869 6.099 1.00 10.38 H new ATOM 0 HZ2 LYS A 25 -25.892 -3.199 7.739 1.00 10.38 H new ATOM 0 HZ3 LYS A 25 -26.142 -1.634 7.130 1.00 10.38 H new ATOM 330 N ARG A 26 -21.796 2.881 10.545 1.00 6.90 N ATOM 331 CA ARG A 26 -20.977 3.929 9.993 1.00 6.23 C ATOM 332 C ARG A 26 -20.400 4.761 11.130 1.00 5.83 C ATOM 333 O ARG A 26 -21.080 5.017 12.116 1.00 6.27 O ATOM 334 CB ARG A 26 -21.820 4.776 9.038 1.00 6.68 C ATOM 335 CG ARG A 26 -22.932 5.555 9.724 1.00 7.16 C ATOM 336 CD ARG A 26 -22.541 7.018 9.900 1.00 7.38 C ATOM 337 NE ARG A 26 -23.618 7.831 10.464 1.00 7.54 N ATOM 338 CZ ARG A 26 -23.525 9.147 10.664 1.00 7.99 C ATOM 339 NH1 ARG A 26 -22.411 9.796 10.345 1.00 8.33 N1+ ATOM 340 NH2 ARG A 26 -24.545 9.813 11.189 1.00 8.37 N ATOM 0 H ARG A 26 -22.481 3.207 11.227 1.00 6.90 H new ATOM 0 HA ARG A 26 -20.146 3.511 9.425 1.00 6.23 H new ATOM 0 HB2 ARG A 26 -21.167 5.476 8.516 1.00 6.68 H new ATOM 0 HB3 ARG A 26 -22.259 4.125 8.282 1.00 6.68 H new ATOM 0 HG2 ARG A 26 -23.846 5.487 9.135 1.00 7.16 H new ATOM 0 HG3 ARG A 26 -23.146 5.112 10.697 1.00 7.16 H new ATOM 0 HD2 ARG A 26 -21.668 7.080 10.549 1.00 7.38 H new ATOM 0 HD3 ARG A 26 -22.250 7.430 8.934 1.00 7.38 H new ATOM 0 HE ARG A 26 -24.489 7.366 10.719 1.00 7.54 H new ATOM 0 HH11 ARG A 26 -21.622 9.288 9.945 1.00 8.33 H new ATOM 0 HH12 ARG A 26 -22.345 10.802 10.500 1.00 8.33 H new ATOM 0 HH21 ARG A 26 -25.401 9.319 11.440 1.00 8.37 H new ATOM 0 HH22 ARG A 26 -24.473 10.819 11.342 1.00 8.37 H new ATOM 354 N ILE A 27 -19.163 5.175 11.000 1.00 5.15 N ATOM 355 CA ILE A 27 -18.448 5.782 12.113 1.00 4.81 C ATOM 356 C ILE A 27 -18.997 7.139 12.520 1.00 5.34 C ATOM 357 O ILE A 27 -19.183 8.041 11.702 1.00 5.76 O ATOM 358 CB ILE A 27 -16.946 5.880 11.803 1.00 4.32 C ATOM 359 CG1 ILE A 27 -16.333 4.486 11.830 1.00 4.09 C ATOM 360 CG2 ILE A 27 -16.237 6.805 12.774 1.00 4.22 C ATOM 361 CD1 ILE A 27 -16.465 3.763 13.153 1.00 4.18 C ATOM 0 H ILE A 27 -18.624 5.106 10.137 1.00 5.15 H new ATOM 0 HA ILE A 27 -18.601 5.122 12.967 1.00 4.81 H new ATOM 0 HB ILE A 27 -16.822 6.307 10.808 1.00 4.32 H new ATOM 0 HG12 ILE A 27 -16.802 3.882 11.053 1.00 4.09 H new ATOM 0 HG13 ILE A 27 -15.275 4.564 11.578 1.00 4.09 H new ATOM 0 HG21 ILE A 27 -15.177 6.850 12.525 1.00 4.22 H new ATOM 0 HG22 ILE A 27 -16.669 7.804 12.706 1.00 4.22 H new ATOM 0 HG23 ILE A 27 -16.355 6.427 13.789 1.00 4.22 H new ATOM 0 HD11 ILE A 27 -16.000 2.780 13.078 1.00 4.18 H new ATOM 0 HD12 ILE A 27 -15.970 4.340 13.934 1.00 4.18 H new ATOM 0 HD13 ILE A 27 -17.520 3.648 13.401 1.00 4.18 H new ATOM 373 N LEU A 28 -19.258 7.248 13.812 1.00 5.52 N ATOM 374 CA LEU A 28 -19.669 8.491 14.430 1.00 6.20 C ATOM 375 C LEU A 28 -18.647 8.930 15.469 1.00 6.05 C ATOM 376 O LEU A 28 -18.220 10.083 15.490 1.00 6.59 O ATOM 377 CB LEU A 28 -21.025 8.321 15.107 1.00 6.86 C ATOM 378 CG LEU A 28 -22.246 8.523 14.210 1.00 7.51 C ATOM 379 CD1 LEU A 28 -22.610 7.232 13.507 1.00 8.22 C ATOM 380 CD2 LEU A 28 -23.424 9.045 15.017 1.00 7.71 C ATOM 0 H LEU A 28 -19.189 6.467 14.465 1.00 5.52 H new ATOM 0 HA LEU A 28 -19.743 9.250 13.651 1.00 6.20 H new ATOM 0 HB2 LEU A 28 -21.073 7.320 15.535 1.00 6.86 H new ATOM 0 HB3 LEU A 28 -21.087 9.025 15.937 1.00 6.86 H new ATOM 0 HG LEU A 28 -21.995 9.266 13.453 1.00 7.51 H new ATOM 0 HD11 LEU A 28 -23.481 7.396 12.873 1.00 8.22 H new ATOM 0 HD12 LEU A 28 -21.772 6.903 12.893 1.00 8.22 H new ATOM 0 HD13 LEU A 28 -22.839 6.466 14.248 1.00 8.22 H new ATOM 0 HD21 LEU A 28 -24.283 9.182 14.360 1.00 7.71 H new ATOM 0 HD22 LEU A 28 -23.676 8.328 15.799 1.00 7.71 H new ATOM 0 HD23 LEU A 28 -23.159 10.000 15.472 1.00 7.71 H new ATOM 392 N TYR A 29 -18.250 7.992 16.322 1.00 5.47 N ATOM 393 CA TYR A 29 -17.382 8.300 17.447 1.00 5.43 C ATOM 394 C TYR A 29 -16.607 7.064 17.895 1.00 4.86 C ATOM 395 O TYR A 29 -16.742 5.983 17.316 1.00 4.58 O ATOM 396 CB TYR A 29 -18.210 8.849 18.606 1.00 6.20 C ATOM 397 CG TYR A 29 -19.145 7.839 19.223 1.00 6.41 C ATOM 398 CD1 TYR A 29 -20.273 7.417 18.540 1.00 6.76 C ATOM 399 CD2 TYR A 29 -18.895 7.303 20.478 1.00 6.48 C ATOM 400 CE1 TYR A 29 -21.131 6.489 19.086 1.00 7.24 C ATOM 401 CE2 TYR A 29 -19.750 6.371 21.034 1.00 6.91 C ATOM 402 CZ TYR A 29 -20.868 5.967 20.334 1.00 7.33 C ATOM 403 OH TYR A 29 -21.725 5.039 20.877 1.00 7.99 O ATOM 0 H TYR A 29 -18.518 7.010 16.253 1.00 5.47 H new ATOM 0 HA TYR A 29 -16.662 9.054 17.129 1.00 5.43 H new ATOM 0 HB2 TYR A 29 -17.535 9.223 19.376 1.00 6.20 H new ATOM 0 HB3 TYR A 29 -18.792 9.700 18.252 1.00 6.20 H new ATOM 0 HD1 TYR A 29 -20.484 7.823 17.562 1.00 6.76 H new ATOM 0 HD2 TYR A 29 -18.020 7.618 21.028 1.00 6.48 H new ATOM 0 HE1 TYR A 29 -22.006 6.172 18.539 1.00 7.24 H new ATOM 0 HE2 TYR A 29 -19.544 5.961 22.012 1.00 6.91 H new ATOM 0 HH TYR A 29 -21.398 4.769 21.761 1.00 7.99 H new ATOM 413 N TRP A 30 -15.794 7.251 18.925 1.00 4.95 N ATOM 414 CA TRP A 30 -14.897 6.216 19.429 1.00 4.73 C ATOM 415 C TRP A 30 -15.212 5.900 20.881 1.00 5.18 C ATOM 416 O TRP A 30 -15.682 6.762 21.624 1.00 5.61 O ATOM 417 CB TRP A 30 -13.454 6.707 19.318 1.00 4.74 C ATOM 418 CG TRP A 30 -12.766 6.279 18.056 1.00 4.48 C ATOM 419 CD1 TRP A 30 -11.739 5.390 17.953 1.00 4.66 C ATOM 420 CD2 TRP A 30 -13.052 6.716 16.723 1.00 4.33 C ATOM 421 NE1 TRP A 30 -11.370 5.246 16.639 1.00 4.65 N ATOM 422 CE2 TRP A 30 -12.160 6.050 15.866 1.00 4.37 C ATOM 423 CE3 TRP A 30 -13.974 7.602 16.169 1.00 4.46 C ATOM 424 CZ2 TRP A 30 -12.162 6.242 14.489 1.00 4.41 C ATOM 425 CZ3 TRP A 30 -13.977 7.793 14.805 1.00 4.49 C ATOM 426 CH2 TRP A 30 -13.078 7.114 13.976 1.00 4.40 C ATOM 0 H TRP A 30 -15.736 8.130 19.439 1.00 4.95 H new ATOM 0 HA TRP A 30 -15.031 5.311 18.837 1.00 4.73 H new ATOM 0 HB2 TRP A 30 -13.445 7.795 19.375 1.00 4.74 H new ATOM 0 HB3 TRP A 30 -12.887 6.338 20.173 1.00 4.74 H new ATOM 0 HD1 TRP A 30 -11.282 4.874 18.784 1.00 4.66 H new ATOM 0 HE1 TRP A 30 -10.627 4.638 16.295 1.00 4.65 H new ATOM 0 HE3 TRP A 30 -14.675 8.130 16.799 1.00 4.46 H new ATOM 0 HZ2 TRP A 30 -11.465 5.721 13.849 1.00 4.41 H new ATOM 0 HZ3 TRP A 30 -14.687 8.480 14.367 1.00 4.49 H new ATOM 0 HH2 TRP A 30 -13.109 7.283 12.910 1.00 4.40 H new ATOM 437 N ARG A 31 -14.968 4.660 21.267 1.00 5.31 N ATOM 438 CA ARG A 31 -15.196 4.216 22.625 1.00 5.89 C ATOM 439 C ARG A 31 -14.192 3.140 22.997 1.00 6.18 C ATOM 440 O ARG A 31 -13.791 2.337 22.152 1.00 6.15 O ATOM 441 CB ARG A 31 -16.608 3.663 22.789 1.00 6.39 C ATOM 442 CG ARG A 31 -16.835 2.344 22.061 1.00 6.58 C ATOM 443 CD ARG A 31 -18.223 1.789 22.329 1.00 7.25 C ATOM 444 NE ARG A 31 -18.417 0.470 21.730 1.00 7.68 N ATOM 445 CZ ARG A 31 -19.529 -0.252 21.867 1.00 8.49 C ATOM 446 NH1 ARG A 31 -20.551 0.220 22.571 1.00 8.90 N1+ ATOM 447 NH2 ARG A 31 -19.620 -1.448 21.299 1.00 9.06 N ATOM 0 H ARG A 31 -14.607 3.936 20.646 1.00 5.31 H new ATOM 0 HA ARG A 31 -15.076 5.076 23.284 1.00 5.89 H new ATOM 0 HB2 ARG A 31 -16.813 3.523 23.850 1.00 6.39 H new ATOM 0 HB3 ARG A 31 -17.323 4.399 22.421 1.00 6.39 H new ATOM 0 HG2 ARG A 31 -16.702 2.492 20.989 1.00 6.58 H new ATOM 0 HG3 ARG A 31 -16.085 1.619 22.378 1.00 6.58 H new ATOM 0 HD2 ARG A 31 -18.385 1.725 23.405 1.00 7.25 H new ATOM 0 HD3 ARG A 31 -18.970 2.478 21.935 1.00 7.25 H new ATOM 0 HE ARG A 31 -17.656 0.079 21.174 1.00 7.68 H new ATOM 0 HH11 ARG A 31 -20.487 1.139 23.010 1.00 8.90 H new ATOM 0 HH12 ARG A 31 -21.400 -0.336 22.673 1.00 8.90 H new ATOM 0 HH21 ARG A 31 -18.838 -1.816 20.757 1.00 9.06 H new ATOM 0 HH22 ARG A 31 -20.472 -1.999 21.405 1.00 9.06 H new ATOM 461 N ASP A 32 -13.793 3.114 24.249 1.00 6.64 N ATOM 462 CA ASP A 32 -12.903 2.077 24.726 1.00 7.19 C ATOM 463 C ASP A 32 -13.689 0.796 24.973 1.00 7.82 C ATOM 464 O ASP A 32 -14.762 0.849 25.580 1.00 8.07 O ATOM 465 CB ASP A 32 -12.204 2.512 26.015 1.00 7.56 C ATOM 466 CG ASP A 32 -10.755 2.108 26.054 1.00 7.94 C ATOM 467 OD1 ASP A 32 -10.217 1.799 24.984 1.00 8.10 O ATOM 468 OD2 ASP A 32 -10.151 2.106 27.160 1.00 8.31 O1- ATOM 0 H ASP A 32 -14.069 3.797 24.955 1.00 6.64 H new ATOM 0 HA ASP A 32 -12.144 1.897 23.965 1.00 7.19 H new ATOM 0 HB2 ASP A 32 -12.278 3.595 26.116 1.00 7.56 H new ATOM 0 HB3 ASP A 32 -12.722 2.076 26.869 1.00 7.56 H new ATOM 473 N PRO A 33 -13.215 -0.347 24.474 1.00 8.28 N ATOM 474 CA PRO A 33 -13.934 -1.619 24.583 1.00 9.11 C ATOM 475 C PRO A 33 -14.488 -1.842 25.986 1.00 9.74 C ATOM 476 O PRO A 33 -15.672 -2.136 26.175 1.00 10.41 O ATOM 477 CB PRO A 33 -12.855 -2.654 24.280 1.00 9.60 C ATOM 478 CG PRO A 33 -11.852 -1.949 23.433 1.00 8.98 C ATOM 479 CD PRO A 33 -11.935 -0.485 23.768 1.00 8.23 C ATOM 0 HA PRO A 33 -14.795 -1.664 23.916 1.00 9.11 H new ATOM 0 HB2 PRO A 33 -12.400 -3.027 25.198 1.00 9.60 H new ATOM 0 HB3 PRO A 33 -13.273 -3.515 23.758 1.00 9.60 H new ATOM 0 HG2 PRO A 33 -10.850 -2.331 23.626 1.00 8.98 H new ATOM 0 HG3 PRO A 33 -12.058 -2.114 22.375 1.00 8.98 H new ATOM 0 HD2 PRO A 33 -11.099 -0.172 24.394 1.00 8.23 H new ATOM 0 HD3 PRO A 33 -11.908 0.131 22.869 1.00 8.23 H new ATOM 487 N MET A 34 -13.609 -1.641 26.955 1.00 9.60 N ATOM 488 CA MET A 34 -13.833 -2.038 28.334 1.00 10.19 C ATOM 489 C MET A 34 -14.468 -0.939 29.173 1.00 9.99 C ATOM 490 O MET A 34 -14.549 -1.047 30.399 1.00 10.53 O ATOM 491 CB MET A 34 -12.518 -2.450 28.950 1.00 10.40 C ATOM 492 CG MET A 34 -11.493 -1.343 29.025 1.00 10.85 C ATOM 493 SD MET A 34 -10.890 -0.805 27.410 1.00 10.55 S ATOM 494 CE MET A 34 -10.256 -2.350 26.786 1.00 10.30 C ATOM 0 H MET A 34 -12.707 -1.191 26.802 1.00 9.60 H new ATOM 0 HA MET A 34 -14.535 -2.872 28.322 1.00 10.19 H new ATOM 0 HB2 MET A 34 -12.703 -2.826 29.956 1.00 10.40 H new ATOM 0 HB3 MET A 34 -12.102 -3.276 28.372 1.00 10.40 H new ATOM 0 HG2 MET A 34 -11.930 -0.489 29.543 1.00 10.85 H new ATOM 0 HG3 MET A 34 -10.648 -1.682 29.625 1.00 10.85 H new ATOM 0 HE1 MET A 34 -9.811 -2.190 25.804 1.00 10.30 H new ATOM 0 HE2 MET A 34 -9.499 -2.735 27.469 1.00 10.30 H new ATOM 0 HE3 MET A 34 -11.070 -3.070 26.703 1.00 10.30 H new ATOM 504 N VAL A 35 -14.910 0.118 28.514 1.00 9.32 N ATOM 505 CA VAL A 35 -15.570 1.234 29.201 1.00 9.27 C ATOM 506 C VAL A 35 -16.953 1.549 28.577 1.00 9.25 C ATOM 507 O VAL A 35 -17.330 2.712 28.400 1.00 8.98 O ATOM 508 CB VAL A 35 -14.667 2.488 29.164 1.00 8.70 C ATOM 509 CG1 VAL A 35 -13.258 2.156 29.639 1.00 8.84 C ATOM 510 CG2 VAL A 35 -14.648 3.077 27.774 1.00 7.95 C ATOM 0 H VAL A 35 -14.828 0.235 27.504 1.00 9.32 H new ATOM 0 HA VAL A 35 -15.734 0.940 30.238 1.00 9.27 H new ATOM 0 HB VAL A 35 -15.079 3.233 29.846 1.00 8.70 H new ATOM 0 HG11 VAL A 35 -12.641 3.054 29.604 1.00 8.84 H new ATOM 0 HG12 VAL A 35 -13.298 1.783 30.662 1.00 8.84 H new ATOM 0 HG13 VAL A 35 -12.826 1.394 28.991 1.00 8.84 H new ATOM 0 HG21 VAL A 35 -14.008 3.960 27.762 1.00 7.95 H new ATOM 0 HG22 VAL A 35 -14.261 2.339 27.071 1.00 7.95 H new ATOM 0 HG23 VAL A 35 -15.660 3.358 27.484 1.00 7.95 H new ATOM 520 N PRO A 36 -17.761 0.510 28.299 1.00 9.74 N ATOM 521 CA PRO A 36 -18.986 0.637 27.510 1.00 9.85 C ATOM 522 C PRO A 36 -20.019 1.566 28.148 1.00 10.22 C ATOM 523 O PRO A 36 -20.481 1.330 29.267 1.00 10.95 O ATOM 524 CB PRO A 36 -19.533 -0.794 27.457 1.00 10.65 C ATOM 525 CG PRO A 36 -18.388 -1.658 27.820 1.00 11.10 C ATOM 526 CD PRO A 36 -17.599 -0.850 28.787 1.00 10.41 C ATOM 0 HA PRO A 36 -18.779 1.074 26.533 1.00 9.85 H new ATOM 0 HB2 PRO A 36 -20.362 -0.925 28.153 1.00 10.65 H new ATOM 0 HB3 PRO A 36 -19.910 -1.036 26.463 1.00 10.65 H new ATOM 0 HG2 PRO A 36 -18.724 -2.594 28.267 1.00 11.10 H new ATOM 0 HG3 PRO A 36 -17.794 -1.918 26.944 1.00 11.10 H new ATOM 0 HD2 PRO A 36 -17.976 -0.960 29.804 1.00 10.41 H new ATOM 0 HD3 PRO A 36 -16.551 -1.150 28.801 1.00 10.41 H new ATOM 534 N GLY A 37 -20.371 2.620 27.432 1.00 9.82 N ATOM 535 CA GLY A 37 -21.299 3.602 27.953 1.00 10.31 C ATOM 536 C GLY A 37 -20.786 5.010 27.751 1.00 9.86 C ATOM 537 O GLY A 37 -21.550 5.974 27.774 1.00 10.21 O ATOM 0 H GLY A 37 -20.028 2.815 26.491 1.00 9.82 H new ATOM 0 HA2 GLY A 37 -22.264 3.491 27.459 1.00 10.31 H new ATOM 0 HA3 GLY A 37 -21.463 3.422 29.016 1.00 10.31 H new ATOM 541 N GLN A 38 -19.483 5.123 27.555 1.00 9.21 N ATOM 542 CA GLN A 38 -18.856 6.409 27.277 1.00 8.88 C ATOM 543 C GLN A 38 -18.957 6.727 25.780 1.00 8.38 C ATOM 544 O GLN A 38 -18.915 5.831 24.936 1.00 8.00 O ATOM 545 CB GLN A 38 -17.405 6.383 27.790 1.00 8.51 C ATOM 546 CG GLN A 38 -16.332 6.631 26.747 1.00 8.11 C ATOM 547 CD GLN A 38 -15.917 5.377 26.015 1.00 8.18 C ATOM 548 OE1 GLN A 38 -14.777 5.235 25.586 1.00 8.47 O ATOM 549 NE2 GLN A 38 -16.844 4.474 25.854 1.00 8.21 N ATOM 0 H GLN A 38 -18.834 4.337 27.583 1.00 9.21 H new ATOM 0 HA GLN A 38 -19.374 7.212 27.801 1.00 8.88 H new ATOM 0 HB2 GLN A 38 -17.303 7.133 28.574 1.00 8.51 H new ATOM 0 HB3 GLN A 38 -17.220 5.413 28.251 1.00 8.51 H new ATOM 0 HG2 GLN A 38 -16.697 7.362 26.025 1.00 8.11 H new ATOM 0 HG3 GLN A 38 -15.458 7.069 27.230 1.00 8.11 H new ATOM 0 HE21 GLN A 38 -17.780 4.632 26.227 1.00 8.21 H new ATOM 0 HE22 GLN A 38 -16.633 3.610 25.355 1.00 8.21 H new ATOM 558 N ARG A 39 -19.172 7.991 25.462 1.00 8.53 N ATOM 559 CA ARG A 39 -19.363 8.417 24.095 1.00 8.21 C ATOM 560 C ARG A 39 -18.448 9.587 23.766 1.00 8.04 C ATOM 561 O ARG A 39 -18.793 10.749 24.003 1.00 8.70 O ATOM 562 CB ARG A 39 -20.813 8.818 23.922 1.00 8.96 C ATOM 563 CG ARG A 39 -21.154 9.223 22.516 1.00 8.86 C ATOM 564 CD ARG A 39 -22.619 9.018 22.241 1.00 9.10 C ATOM 565 NE ARG A 39 -23.478 9.767 23.158 1.00 10.02 N ATOM 566 CZ ARG A 39 -24.664 10.274 22.822 1.00 10.60 C ATOM 567 NH1 ARG A 39 -25.105 10.171 21.575 1.00 10.42 N1+ ATOM 568 NH2 ARG A 39 -25.402 10.899 23.729 1.00 11.51 N ATOM 0 H ARG A 39 -19.218 8.747 26.146 1.00 8.53 H new ATOM 0 HA ARG A 39 -19.116 7.601 23.415 1.00 8.21 H new ATOM 0 HB2 ARG A 39 -21.451 7.985 24.218 1.00 8.96 H new ATOM 0 HB3 ARG A 39 -21.037 9.645 24.595 1.00 8.96 H new ATOM 0 HG2 ARG A 39 -20.893 10.270 22.361 1.00 8.86 H new ATOM 0 HG3 ARG A 39 -20.562 8.639 21.811 1.00 8.86 H new ATOM 0 HD2 ARG A 39 -22.838 9.320 21.217 1.00 9.10 H new ATOM 0 HD3 ARG A 39 -22.853 7.956 22.317 1.00 9.10 H new ATOM 0 HE ARG A 39 -23.149 9.910 24.113 1.00 10.02 H new ATOM 0 HH11 ARG A 39 -24.536 9.703 20.870 1.00 10.42 H new ATOM 0 HH12 ARG A 39 -26.013 10.560 21.321 1.00 10.42 H new ATOM 0 HH21 ARG A 39 -25.062 10.993 24.686 1.00 11.51 H new ATOM 0 HH22 ARG A 39 -26.309 11.286 23.469 1.00 11.51 H new ATOM 582 N PHE A 40 -17.285 9.265 23.208 1.00 7.31 N ATOM 583 CA PHE A 40 -16.275 10.269 22.899 1.00 7.34 C ATOM 584 C PHE A 40 -16.689 11.105 21.707 1.00 7.47 C ATOM 585 O PHE A 40 -17.292 10.616 20.758 1.00 7.06 O ATOM 586 CB PHE A 40 -14.934 9.600 22.608 1.00 6.76 C ATOM 587 CG PHE A 40 -14.127 9.319 23.836 1.00 6.92 C ATOM 588 CD1 PHE A 40 -14.366 8.174 24.580 1.00 7.27 C ATOM 589 CD2 PHE A 40 -13.136 10.191 24.253 1.00 6.93 C ATOM 590 CE1 PHE A 40 -13.629 7.904 25.714 1.00 7.50 C ATOM 591 CE2 PHE A 40 -12.399 9.922 25.386 1.00 7.26 C ATOM 592 CZ PHE A 40 -12.619 8.817 26.109 1.00 7.49 C ATOM 0 H PHE A 40 -17.019 8.312 22.960 1.00 7.31 H new ATOM 0 HA PHE A 40 -16.175 10.920 23.767 1.00 7.34 H new ATOM 0 HB2 PHE A 40 -15.112 8.664 22.078 1.00 6.76 H new ATOM 0 HB3 PHE A 40 -14.355 10.239 21.941 1.00 6.76 H new ATOM 0 HD1 PHE A 40 -15.138 7.486 24.268 1.00 7.27 H new ATOM 0 HD2 PHE A 40 -12.939 11.089 23.686 1.00 6.93 H new ATOM 0 HE1 PHE A 40 -13.818 7.011 26.292 1.00 7.50 H new ATOM 0 HE2 PHE A 40 -11.631 10.615 25.696 1.00 7.26 H new ATOM 0 HZ PHE A 40 -12.028 8.621 26.992 1.00 7.49 H new ATOM 602 N ASP A 41 -16.345 12.385 21.790 1.00 8.18 N ATOM 603 CA ASP A 41 -16.658 13.362 20.755 1.00 8.62 C ATOM 604 C ASP A 41 -15.923 13.029 19.473 1.00 8.07 C ATOM 605 O ASP A 41 -16.375 13.375 18.386 1.00 8.18 O ATOM 606 CB ASP A 41 -16.245 14.760 21.218 1.00 9.62 C ATOM 607 CG ASP A 41 -16.933 15.185 22.496 1.00 10.23 C ATOM 608 OD1 ASP A 41 -18.037 15.763 22.421 1.00 10.61 O ATOM 609 OD2 ASP A 41 -16.369 14.946 23.585 1.00 10.48 O1- ATOM 0 H ASP A 41 -15.837 12.776 22.583 1.00 8.18 H new ATOM 0 HA ASP A 41 -17.732 13.336 20.571 1.00 8.62 H new ATOM 0 HB2 ASP A 41 -15.166 14.783 21.368 1.00 9.62 H new ATOM 0 HB3 ASP A 41 -16.474 15.480 20.432 1.00 9.62 H new ATOM 614 N LYS A 42 -14.779 12.373 19.614 1.00 7.60 N ATOM 615 CA LYS A 42 -13.936 12.059 18.475 1.00 7.23 C ATOM 616 C LYS A 42 -12.871 11.025 18.843 1.00 6.69 C ATOM 617 O LYS A 42 -12.628 10.805 20.034 1.00 6.78 O ATOM 618 CB LYS A 42 -13.282 13.333 17.913 1.00 8.14 C ATOM 619 CG LYS A 42 -12.599 14.184 18.975 1.00 8.90 C ATOM 620 CD LYS A 42 -11.951 15.424 18.378 1.00 9.77 C ATOM 621 CE LYS A 42 -12.975 16.337 17.725 1.00 10.52 C ATOM 622 NZ LYS A 42 -12.345 17.549 17.140 1.00 10.91 N1+ ATOM 0 H LYS A 42 -14.415 12.048 20.510 1.00 7.60 H new ATOM 0 HA LYS A 42 -14.570 11.627 17.701 1.00 7.23 H new ATOM 0 HB2 LYS A 42 -12.549 13.052 17.157 1.00 8.14 H new ATOM 0 HB3 LYS A 42 -14.043 13.932 17.413 1.00 8.14 H new ATOM 0 HG2 LYS A 42 -13.330 14.482 19.726 1.00 8.90 H new ATOM 0 HG3 LYS A 42 -11.842 13.589 19.486 1.00 8.90 H new ATOM 0 HD2 LYS A 42 -11.423 15.970 19.160 1.00 9.77 H new ATOM 0 HD3 LYS A 42 -11.207 15.126 17.640 1.00 9.77 H new ATOM 0 HE2 LYS A 42 -13.503 15.790 16.944 1.00 10.52 H new ATOM 0 HE3 LYS A 42 -13.719 16.635 18.464 1.00 10.52 H new ATOM 0 HZ1 LYS A 42 -13.077 18.145 16.705 1.00 10.91 H new ATOM 0 HZ2 LYS A 42 -11.862 18.085 17.889 1.00 10.91 H new ATOM 0 HZ3 LYS A 42 -11.654 17.266 16.416 1.00 10.91 H new ATOM 636 N PRO A 43 -12.244 10.369 17.852 1.00 6.27 N ATOM 637 CA PRO A 43 -11.176 9.374 18.077 1.00 6.04 C ATOM 638 C PRO A 43 -10.044 9.875 18.989 1.00 6.80 C ATOM 639 O PRO A 43 -9.971 11.058 19.334 1.00 7.51 O ATOM 640 CB PRO A 43 -10.647 9.099 16.656 1.00 6.00 C ATOM 641 CG PRO A 43 -11.197 10.204 15.818 1.00 6.35 C ATOM 642 CD PRO A 43 -12.530 10.514 16.423 1.00 6.19 C ATOM 0 HA PRO A 43 -11.558 8.493 18.593 1.00 6.04 H new ATOM 0 HB2 PRO A 43 -9.557 9.093 16.635 1.00 6.00 H new ATOM 0 HB3 PRO A 43 -10.978 8.126 16.293 1.00 6.00 H new ATOM 0 HG2 PRO A 43 -10.543 11.076 15.834 1.00 6.35 H new ATOM 0 HG3 PRO A 43 -11.296 9.899 14.776 1.00 6.35 H new ATOM 0 HD2 PRO A 43 -12.870 11.519 16.173 1.00 6.19 H new ATOM 0 HD3 PRO A 43 -13.303 9.823 16.087 1.00 6.19 H new ATOM 650 N GLY A 44 -9.171 8.959 19.399 1.00 6.81 N ATOM 651 CA GLY A 44 -8.041 9.337 20.224 1.00 7.59 C ATOM 652 C GLY A 44 -7.578 8.223 21.142 1.00 7.56 C ATOM 653 O GLY A 44 -8.023 7.080 21.020 1.00 7.08 O ATOM 0 H GLY A 44 -9.227 7.966 19.175 1.00 6.81 H new ATOM 0 HA2 GLY A 44 -7.214 9.638 19.581 1.00 7.59 H new ATOM 0 HA3 GLY A 44 -8.311 10.206 20.824 1.00 7.59 H new ATOM 657 N LYS A 45 -6.671 8.561 22.049 1.00 8.20 N ATOM 658 CA LYS A 45 -6.167 7.626 23.046 1.00 8.37 C ATOM 659 C LYS A 45 -7.058 7.671 24.279 1.00 8.15 C ATOM 660 O LYS A 45 -7.561 8.734 24.648 1.00 8.27 O ATOM 661 CB LYS A 45 -4.735 8.006 23.415 1.00 9.30 C ATOM 662 CG LYS A 45 -4.031 7.000 24.311 1.00 9.65 C ATOM 663 CD LYS A 45 -3.227 7.697 25.379 1.00 10.42 C ATOM 664 CE LYS A 45 -2.246 8.708 24.801 1.00 11.07 C ATOM 665 NZ LYS A 45 -1.196 8.062 23.969 1.00 11.68 N1+ ATOM 0 H LYS A 45 -6.263 9.494 22.114 1.00 8.20 H new ATOM 0 HA LYS A 45 -6.174 6.614 22.642 1.00 8.37 H new ATOM 0 HB2 LYS A 45 -4.156 8.126 22.499 1.00 9.30 H new ATOM 0 HB3 LYS A 45 -4.746 8.975 23.915 1.00 9.30 H new ATOM 0 HG2 LYS A 45 -4.767 6.344 24.775 1.00 9.65 H new ATOM 0 HG3 LYS A 45 -3.375 6.369 23.711 1.00 9.65 H new ATOM 0 HD2 LYS A 45 -3.904 8.204 26.067 1.00 10.42 H new ATOM 0 HD3 LYS A 45 -2.679 6.955 25.960 1.00 10.42 H new ATOM 0 HE2 LYS A 45 -2.790 9.434 24.197 1.00 11.07 H new ATOM 0 HE3 LYS A 45 -1.774 9.259 25.614 1.00 11.07 H new ATOM 0 HZ1 LYS A 45 -0.552 8.789 23.597 1.00 11.68 H new ATOM 0 HZ2 LYS A 45 -0.659 7.388 24.550 1.00 11.68 H new ATOM 0 HZ3 LYS A 45 -1.642 7.557 23.177 1.00 11.68 H new ATOM 679 N SER A 46 -7.259 6.516 24.893 1.00 8.03 N ATOM 680 CA SER A 46 -8.092 6.409 26.075 1.00 7.98 C ATOM 681 C SER A 46 -7.505 7.239 27.219 1.00 8.64 C ATOM 682 O SER A 46 -6.296 7.247 27.432 1.00 9.20 O ATOM 683 CB SER A 46 -8.220 4.929 26.475 1.00 8.03 C ATOM 684 OG SER A 46 -9.064 4.749 27.603 1.00 8.36 O ATOM 0 H SER A 46 -6.851 5.633 24.587 1.00 8.03 H new ATOM 0 HA SER A 46 -9.085 6.802 25.857 1.00 7.98 H new ATOM 0 HB2 SER A 46 -8.615 4.360 25.633 1.00 8.03 H new ATOM 0 HB3 SER A 46 -7.231 4.527 26.696 1.00 8.03 H new ATOM 0 HG SER A 46 -9.505 3.876 27.545 1.00 8.36 H new ATOM 690 N PRO A 47 -8.346 7.987 27.944 1.00 8.70 N ATOM 691 CA PRO A 47 -7.915 8.701 29.148 1.00 9.38 C ATOM 692 C PRO A 47 -7.700 7.737 30.302 1.00 9.63 C ATOM 693 O PRO A 47 -6.989 8.020 31.266 1.00 10.25 O ATOM 694 CB PRO A 47 -9.087 9.633 29.445 1.00 9.45 C ATOM 695 CG PRO A 47 -10.270 8.954 28.851 1.00 8.81 C ATOM 696 CD PRO A 47 -9.767 8.220 27.636 1.00 8.26 C ATOM 0 HA PRO A 47 -6.970 9.226 29.012 1.00 9.38 H new ATOM 0 HB2 PRO A 47 -9.213 9.781 30.517 1.00 9.45 H new ATOM 0 HB3 PRO A 47 -8.932 10.617 29.003 1.00 9.45 H new ATOM 0 HG2 PRO A 47 -10.721 8.264 29.564 1.00 8.81 H new ATOM 0 HG3 PRO A 47 -11.038 9.678 28.578 1.00 8.81 H new ATOM 0 HD2 PRO A 47 -10.304 7.284 27.481 1.00 8.26 H new ATOM 0 HD3 PRO A 47 -9.890 8.812 26.729 1.00 8.26 H new ATOM 704 N TYR A 48 -8.334 6.584 30.162 1.00 9.26 N ATOM 705 CA TYR A 48 -8.350 5.561 31.179 1.00 9.61 C ATOM 706 C TYR A 48 -7.105 4.694 31.047 1.00 9.96 C ATOM 707 O TYR A 48 -6.502 4.293 32.037 1.00 10.49 O ATOM 708 CB TYR A 48 -9.611 4.727 30.985 1.00 9.34 C ATOM 709 CG TYR A 48 -10.893 5.531 30.997 1.00 9.17 C ATOM 710 CD1 TYR A 48 -11.218 6.334 32.087 1.00 9.63 C ATOM 711 CD2 TYR A 48 -11.776 5.489 29.928 1.00 8.69 C ATOM 712 CE1 TYR A 48 -12.387 7.067 32.108 1.00 9.70 C ATOM 713 CE2 TYR A 48 -12.948 6.220 29.944 1.00 8.75 C ATOM 714 CZ TYR A 48 -13.248 7.007 31.005 1.00 9.30 C ATOM 715 OH TYR A 48 -14.414 7.736 31.057 1.00 9.57 O ATOM 0 H TYR A 48 -8.858 6.335 29.323 1.00 9.26 H new ATOM 0 HA TYR A 48 -8.351 6.003 32.175 1.00 9.61 H new ATOM 0 HB2 TYR A 48 -9.538 4.194 30.037 1.00 9.34 H new ATOM 0 HB3 TYR A 48 -9.660 3.974 31.772 1.00 9.34 H new ATOM 0 HD1 TYR A 48 -10.544 6.384 32.930 1.00 9.63 H new ATOM 0 HD2 TYR A 48 -11.544 4.875 29.070 1.00 8.69 H new ATOM 0 HE1 TYR A 48 -12.635 7.678 32.963 1.00 9.70 H new ATOM 0 HE2 TYR A 48 -13.628 6.164 29.107 1.00 8.75 H new ATOM 0 HH TYR A 48 -14.918 7.606 30.227 1.00 9.57 H new ATOM 725 N MET A 49 -6.757 4.385 29.805 1.00 9.74 N ATOM 726 CA MET A 49 -5.569 3.604 29.491 1.00 10.23 C ATOM 727 C MET A 49 -4.781 4.233 28.363 1.00 10.20 C ATOM 728 O MET A 49 -5.357 4.874 27.497 1.00 9.87 O ATOM 729 CB MET A 49 -5.949 2.205 29.063 1.00 10.28 C ATOM 730 CG MET A 49 -6.170 1.253 30.195 1.00 10.38 C ATOM 731 SD MET A 49 -7.755 0.419 30.096 1.00 10.09 S ATOM 732 CE MET A 49 -8.800 1.661 30.821 1.00 9.55 C ATOM 0 H MET A 49 -7.292 4.670 28.985 1.00 9.74 H new ATOM 0 HA MET A 49 -4.961 3.574 30.395 1.00 10.23 H new ATOM 0 HB2 MET A 49 -6.858 2.255 28.464 1.00 10.28 H new ATOM 0 HB3 MET A 49 -5.164 1.809 28.419 1.00 10.28 H new ATOM 0 HG2 MET A 49 -5.372 0.510 30.201 1.00 10.38 H new ATOM 0 HG3 MET A 49 -6.107 1.795 31.138 1.00 10.38 H new ATOM 0 HE1 MET A 49 -9.602 1.180 31.381 1.00 9.55 H new ATOM 0 HE2 MET A 49 -8.211 2.284 31.494 1.00 9.55 H new ATOM 0 HE3 MET A 49 -9.228 2.281 30.034 1.00 9.55 H new ATOM 742 N ASP A 50 -3.485 3.993 28.315 1.00 10.69 N ATOM 743 CA ASP A 50 -2.680 4.498 27.209 1.00 10.83 C ATOM 744 C ASP A 50 -2.810 3.604 25.980 1.00 10.64 C ATOM 745 O ASP A 50 -1.834 3.065 25.457 1.00 11.23 O ATOM 746 CB ASP A 50 -1.212 4.687 27.602 1.00 11.76 C ATOM 747 CG ASP A 50 -0.602 3.461 28.255 1.00 12.21 C ATOM 748 OD1 ASP A 50 -0.835 3.249 29.468 1.00 12.33 O1- ATOM 749 OD2 ASP A 50 0.133 2.715 27.573 1.00 12.54 O ATOM 0 H ASP A 50 -2.969 3.460 29.015 1.00 10.69 H new ATOM 0 HA ASP A 50 -3.071 5.483 26.954 1.00 10.83 H new ATOM 0 HB2 ASP A 50 -0.635 4.941 26.713 1.00 11.76 H new ATOM 0 HB3 ASP A 50 -1.132 5.532 28.286 1.00 11.76 H new ATOM 754 N MET A 51 -4.034 3.475 25.516 1.00 9.87 N ATOM 755 CA MET A 51 -4.336 2.720 24.318 1.00 9.64 C ATOM 756 C MET A 51 -5.325 3.497 23.470 1.00 8.84 C ATOM 757 O MET A 51 -6.178 4.207 23.999 1.00 8.36 O ATOM 758 CB MET A 51 -4.889 1.340 24.695 1.00 9.70 C ATOM 759 CG MET A 51 -5.691 1.326 25.988 1.00 9.43 C ATOM 760 SD MET A 51 -7.471 1.471 25.769 1.00 9.38 S ATOM 761 CE MET A 51 -7.796 0.202 24.542 1.00 9.04 C ATOM 0 H MET A 51 -4.852 3.892 25.961 1.00 9.87 H new ATOM 0 HA MET A 51 -3.427 2.569 23.736 1.00 9.64 H new ATOM 0 HB2 MET A 51 -5.521 0.979 23.884 1.00 9.70 H new ATOM 0 HB3 MET A 51 -4.059 0.640 24.787 1.00 9.70 H new ATOM 0 HG2 MET A 51 -5.478 0.400 26.522 1.00 9.43 H new ATOM 0 HG3 MET A 51 -5.348 2.144 26.621 1.00 9.43 H new ATOM 0 HE1 MET A 51 -8.758 -0.267 24.750 1.00 9.04 H new ATOM 0 HE2 MET A 51 -7.819 0.653 23.550 1.00 9.04 H new ATOM 0 HE3 MET A 51 -7.009 -0.551 24.580 1.00 9.04 H new ATOM 771 N PRO A 52 -5.179 3.433 22.141 1.00 8.77 N ATOM 772 CA PRO A 52 -6.104 4.094 21.230 1.00 8.04 C ATOM 773 C PRO A 52 -7.500 3.506 21.344 1.00 7.35 C ATOM 774 O PRO A 52 -7.665 2.282 21.358 1.00 7.56 O ATOM 775 CB PRO A 52 -5.511 3.833 19.840 1.00 8.35 C ATOM 776 CG PRO A 52 -4.608 2.660 20.015 1.00 9.16 C ATOM 777 CD PRO A 52 -4.105 2.723 21.428 1.00 9.51 C ATOM 0 HA PRO A 52 -6.212 5.157 21.447 1.00 8.04 H new ATOM 0 HB2 PRO A 52 -6.294 3.622 19.111 1.00 8.35 H new ATOM 0 HB3 PRO A 52 -4.962 4.702 19.476 1.00 8.35 H new ATOM 0 HG2 PRO A 52 -5.142 1.727 19.834 1.00 9.16 H new ATOM 0 HG3 PRO A 52 -3.781 2.697 19.306 1.00 9.16 H new ATOM 0 HD2 PRO A 52 -3.939 1.728 21.840 1.00 9.51 H new ATOM 0 HD3 PRO A 52 -3.157 3.258 21.494 1.00 9.51 H new ATOM 785 N LEU A 53 -8.495 4.377 21.430 1.00 6.71 N ATOM 786 CA LEU A 53 -9.876 3.946 21.573 1.00 6.20 C ATOM 787 C LEU A 53 -10.310 3.131 20.366 1.00 5.97 C ATOM 788 O LEU A 53 -9.669 3.172 19.312 1.00 6.05 O ATOM 789 CB LEU A 53 -10.800 5.153 21.759 1.00 5.79 C ATOM 790 CG LEU A 53 -10.534 5.983 23.015 1.00 6.23 C ATOM 791 CD1 LEU A 53 -11.113 7.378 22.866 1.00 6.10 C ATOM 792 CD2 LEU A 53 -11.124 5.302 24.236 1.00 6.57 C ATOM 0 H LEU A 53 -8.370 5.389 21.403 1.00 6.71 H new ATOM 0 HA LEU A 53 -9.946 3.316 22.459 1.00 6.20 H new ATOM 0 HB2 LEU A 53 -10.707 5.801 20.887 1.00 5.79 H new ATOM 0 HB3 LEU A 53 -11.831 4.801 21.786 1.00 5.79 H new ATOM 0 HG LEU A 53 -9.455 6.066 23.147 1.00 6.23 H new ATOM 0 HD11 LEU A 53 -10.913 7.953 23.770 1.00 6.10 H new ATOM 0 HD12 LEU A 53 -10.652 7.874 22.011 1.00 6.10 H new ATOM 0 HD13 LEU A 53 -12.190 7.310 22.709 1.00 6.10 H new ATOM 0 HD21 LEU A 53 -10.925 5.906 25.121 1.00 6.57 H new ATOM 0 HD22 LEU A 53 -12.201 5.191 24.106 1.00 6.57 H new ATOM 0 HD23 LEU A 53 -10.670 4.319 24.359 1.00 6.57 H new ATOM 804 N ILE A 54 -11.402 2.409 20.501 1.00 5.92 N ATOM 805 CA ILE A 54 -11.869 1.566 19.422 1.00 5.98 C ATOM 806 C ILE A 54 -13.073 2.196 18.759 1.00 5.33 C ATOM 807 O ILE A 54 -14.019 2.626 19.422 1.00 5.16 O ATOM 808 CB ILE A 54 -12.224 0.150 19.907 1.00 6.77 C ATOM 809 CG1 ILE A 54 -10.990 -0.523 20.516 1.00 7.56 C ATOM 810 CG2 ILE A 54 -12.786 -0.699 18.772 1.00 7.04 C ATOM 811 CD1 ILE A 54 -9.803 -0.584 19.584 1.00 7.89 C ATOM 0 H ILE A 54 -11.980 2.389 21.342 1.00 5.92 H new ATOM 0 HA ILE A 54 -11.055 1.475 18.703 1.00 5.98 H new ATOM 0 HB ILE A 54 -12.996 0.237 20.672 1.00 6.77 H new ATOM 0 HG12 ILE A 54 -10.703 0.016 21.419 1.00 7.56 H new ATOM 0 HG13 ILE A 54 -11.254 -1.536 20.820 1.00 7.56 H new ATOM 0 HG21 ILE A 54 -13.027 -1.694 19.147 1.00 7.04 H new ATOM 0 HG22 ILE A 54 -13.689 -0.230 18.380 1.00 7.04 H new ATOM 0 HG23 ILE A 54 -12.045 -0.781 17.977 1.00 7.04 H new ATOM 0 HD11 ILE A 54 -8.970 -1.074 20.088 1.00 7.89 H new ATOM 0 HD12 ILE A 54 -10.070 -1.149 18.691 1.00 7.89 H new ATOM 0 HD13 ILE A 54 -9.511 0.427 19.300 1.00 7.89 H new ATOM 823 N PRO A 55 -13.031 2.302 17.442 1.00 5.13 N ATOM 824 CA PRO A 55 -14.121 2.879 16.689 1.00 4.65 C ATOM 825 C PRO A 55 -15.323 1.943 16.606 1.00 5.10 C ATOM 826 O PRO A 55 -15.186 0.729 16.465 1.00 5.77 O ATOM 827 CB PRO A 55 -13.491 3.142 15.326 1.00 4.51 C ATOM 828 CG PRO A 55 -12.399 2.141 15.196 1.00 5.22 C ATOM 829 CD PRO A 55 -11.902 1.885 16.587 1.00 5.58 C ATOM 0 HA PRO A 55 -14.528 3.780 17.147 1.00 4.65 H new ATOM 0 HB2 PRO A 55 -14.223 3.030 14.527 1.00 4.51 H new ATOM 0 HB3 PRO A 55 -13.102 4.158 15.262 1.00 4.51 H new ATOM 0 HG2 PRO A 55 -12.765 1.222 14.738 1.00 5.22 H new ATOM 0 HG3 PRO A 55 -11.599 2.518 14.559 1.00 5.22 H new ATOM 0 HD2 PRO A 55 -11.653 0.834 16.737 1.00 5.58 H new ATOM 0 HD3 PRO A 55 -11.002 2.460 16.803 1.00 5.58 H new ATOM 837 N VAL A 56 -16.498 2.548 16.725 1.00 5.00 N ATOM 838 CA VAL A 56 -17.769 1.836 16.778 1.00 5.69 C ATOM 839 C VAL A 56 -18.003 0.955 15.558 1.00 5.96 C ATOM 840 O VAL A 56 -17.494 1.218 14.476 1.00 5.52 O ATOM 841 CB VAL A 56 -18.935 2.826 16.896 1.00 5.77 C ATOM 842 CG1 VAL A 56 -18.837 3.646 18.169 1.00 5.82 C ATOM 843 CG2 VAL A 56 -18.952 3.708 15.674 1.00 5.28 C ATOM 0 H VAL A 56 -16.597 3.561 16.788 1.00 5.00 H new ATOM 0 HA VAL A 56 -17.721 1.194 17.657 1.00 5.69 H new ATOM 0 HB VAL A 56 -19.872 2.272 16.952 1.00 5.77 H new ATOM 0 HG11 VAL A 56 -19.678 4.337 18.222 1.00 5.82 H new ATOM 0 HG12 VAL A 56 -18.859 2.981 19.033 1.00 5.82 H new ATOM 0 HG13 VAL A 56 -17.904 4.209 18.168 1.00 5.82 H new ATOM 0 HG21 VAL A 56 -19.778 4.416 15.748 1.00 5.28 H new ATOM 0 HG22 VAL A 56 -18.011 4.254 15.606 1.00 5.28 H new ATOM 0 HG23 VAL A 56 -19.080 3.093 14.783 1.00 5.28 H new ATOM 853 N TYR A 57 -18.850 -0.036 15.789 1.00 6.83 N ATOM 854 CA TYR A 57 -19.245 -1.102 14.849 1.00 7.44 C ATOM 855 C TYR A 57 -18.331 -1.285 13.638 1.00 7.10 C ATOM 856 O TYR A 57 -17.529 -2.222 13.620 1.00 7.48 O ATOM 857 CB TYR A 57 -20.693 -0.892 14.399 1.00 7.84 C ATOM 858 CG TYR A 57 -21.184 0.530 14.575 1.00 7.40 C ATOM 859 CD1 TYR A 57 -21.022 1.473 13.573 1.00 6.79 C ATOM 860 CD2 TYR A 57 -21.811 0.922 15.750 1.00 7.77 C ATOM 861 CE1 TYR A 57 -21.477 2.759 13.726 1.00 6.66 C ATOM 862 CE2 TYR A 57 -22.270 2.214 15.916 1.00 7.62 C ATOM 863 CZ TYR A 57 -22.107 3.129 14.900 1.00 7.11 C ATOM 864 OH TYR A 57 -22.574 4.412 15.058 1.00 7.23 O ATOM 0 H TYR A 57 -19.315 -0.134 16.691 1.00 6.83 H new ATOM 0 HA TYR A 57 -19.145 -2.030 15.412 1.00 7.44 H new ATOM 0 HB2 TYR A 57 -20.782 -1.171 13.349 1.00 7.84 H new ATOM 0 HB3 TYR A 57 -21.341 -1.563 14.963 1.00 7.84 H new ATOM 0 HD1 TYR A 57 -20.529 1.191 12.655 1.00 6.79 H new ATOM 0 HD2 TYR A 57 -21.942 0.205 16.547 1.00 7.77 H new ATOM 0 HE1 TYR A 57 -21.343 3.479 12.932 1.00 6.66 H new ATOM 0 HE2 TYR A 57 -22.754 2.505 16.837 1.00 7.62 H new ATOM 0 HH TYR A 57 -22.991 4.502 15.940 1.00 7.23 H new ATOM 874 N GLU A 58 -18.448 -0.432 12.636 1.00 6.59 N ATOM 875 CA GLU A 58 -17.724 -0.619 11.384 1.00 6.41 C ATOM 876 C GLU A 58 -16.220 -0.657 11.636 1.00 6.15 C ATOM 877 O GLU A 58 -15.445 -1.382 11.008 1.00 6.62 O ATOM 878 CB GLU A 58 -18.071 0.504 10.416 1.00 5.89 C ATOM 879 CG GLU A 58 -17.069 1.631 10.390 1.00 5.18 C ATOM 880 CD GLU A 58 -17.292 2.601 9.246 1.00 5.25 C ATOM 881 OE1 GLU A 58 -18.294 2.436 8.524 1.00 5.61 O1- ATOM 882 OE2 GLU A 58 -16.486 3.534 9.069 1.00 5.25 O ATOM 0 H GLU A 58 -19.038 0.400 12.662 1.00 6.59 H new ATOM 0 HA GLU A 58 -18.020 -1.571 10.944 1.00 6.41 H new ATOM 0 HB2 GLU A 58 -18.160 0.089 9.412 1.00 5.89 H new ATOM 0 HB3 GLU A 58 -19.048 0.908 10.681 1.00 5.89 H new ATOM 0 HG2 GLU A 58 -17.118 2.174 11.334 1.00 5.18 H new ATOM 0 HG3 GLU A 58 -16.065 1.214 10.314 1.00 5.18 H new ATOM 889 N GLU A 59 -15.883 0.152 12.639 1.00 5.59 N ATOM 890 CA GLU A 59 -14.585 0.189 13.293 1.00 5.52 C ATOM 891 C GLU A 59 -13.504 0.722 12.367 1.00 5.43 C ATOM 892 O GLU A 59 -12.522 0.053 12.072 1.00 6.06 O ATOM 893 CB GLU A 59 -14.225 -1.200 13.845 1.00 6.40 C ATOM 894 CG GLU A 59 -12.982 -1.235 14.718 1.00 6.94 C ATOM 895 CD GLU A 59 -12.581 -2.646 15.083 1.00 7.89 C ATOM 896 OE1 GLU A 59 -11.793 -3.258 14.335 1.00 8.58 O1- ATOM 897 OE2 GLU A 59 -13.047 -3.150 16.126 1.00 8.12 O ATOM 0 H GLU A 59 -16.539 0.827 13.032 1.00 5.59 H new ATOM 0 HA GLU A 59 -14.648 0.882 14.132 1.00 5.52 H new ATOM 0 HB2 GLU A 59 -15.069 -1.576 14.423 1.00 6.40 H new ATOM 0 HB3 GLU A 59 -14.083 -1.883 13.007 1.00 6.40 H new ATOM 0 HG2 GLU A 59 -12.159 -0.749 14.195 1.00 6.94 H new ATOM 0 HG3 GLU A 59 -13.163 -0.663 15.628 1.00 6.94 H new ATOM 904 N GLU A 60 -13.688 1.982 11.994 1.00 4.88 N ATOM 905 CA GLU A 60 -12.888 2.650 10.978 1.00 5.05 C ATOM 906 C GLU A 60 -12.906 1.854 9.683 1.00 5.18 C ATOM 907 O GLU A 60 -11.965 1.125 9.372 1.00 5.82 O ATOM 908 CB GLU A 60 -11.454 2.917 11.443 1.00 5.91 C ATOM 909 CG GLU A 60 -10.659 3.780 10.474 1.00 6.37 C ATOM 910 CD GLU A 60 -9.213 3.936 10.883 1.00 7.13 C ATOM 911 OE1 GLU A 60 -8.392 3.065 10.528 1.00 7.41 O1- ATOM 912 OE2 GLU A 60 -8.889 4.929 11.566 1.00 7.64 O ATOM 0 H GLU A 60 -14.411 2.578 12.397 1.00 4.88 H new ATOM 0 HA GLU A 60 -13.341 3.625 10.797 1.00 5.05 H new ATOM 0 HB2 GLU A 60 -11.480 3.406 12.417 1.00 5.91 H new ATOM 0 HB3 GLU A 60 -10.940 1.965 11.578 1.00 5.91 H new ATOM 0 HG2 GLU A 60 -10.705 3.338 9.479 1.00 6.37 H new ATOM 0 HG3 GLU A 60 -11.122 4.765 10.407 1.00 6.37 H new ATOM 919 N ASN A 61 -13.976 1.984 8.937 1.00 4.82 N ATOM 920 CA ASN A 61 -14.057 1.368 7.632 1.00 5.21 C ATOM 921 C ASN A 61 -14.194 2.440 6.581 1.00 4.96 C ATOM 922 O ASN A 61 -13.492 2.435 5.559 1.00 5.37 O ATOM 923 CB ASN A 61 -15.251 0.415 7.561 1.00 5.66 C ATOM 924 CG ASN A 61 -15.437 -0.223 6.192 1.00 6.39 C ATOM 925 OD1 ASN A 61 -14.479 -0.439 5.451 1.00 6.60 O ATOM 926 ND2 ASN A 61 -16.678 -0.533 5.850 1.00 7.02 N ATOM 0 H ASN A 61 -14.805 2.512 9.211 1.00 4.82 H new ATOM 0 HA ASN A 61 -13.147 0.794 7.454 1.00 5.21 H new ATOM 0 HB2 ASN A 61 -15.123 -0.371 8.305 1.00 5.66 H new ATOM 0 HB3 ASN A 61 -16.157 0.960 7.825 1.00 5.66 H new ATOM 0 HD21 ASN A 61 -16.865 -0.966 4.946 1.00 7.02 H new ATOM 0 HD22 ASN A 61 -17.447 -0.339 6.491 1.00 7.02 H new ATOM 933 N ALA A 62 -15.057 3.403 6.912 1.00 4.60 N ATOM 934 CA ALA A 62 -15.501 4.453 6.029 1.00 4.73 C ATOM 935 C ALA A 62 -16.255 3.886 4.865 1.00 4.93 C ATOM 936 O ALA A 62 -17.453 4.142 4.719 1.00 5.41 O ATOM 937 CB ALA A 62 -14.326 5.283 5.619 1.00 4.86 C ATOM 0 H ALA A 62 -15.474 3.464 7.841 1.00 4.60 H new ATOM 0 HA ALA A 62 -16.201 5.107 6.549 1.00 4.73 H new ATOM 0 HB1 ALA A 62 -14.657 6.078 4.951 1.00 4.86 H new ATOM 0 HB2 ALA A 62 -13.864 5.721 6.504 1.00 4.86 H new ATOM 0 HB3 ALA A 62 -13.599 4.655 5.103 1.00 4.86 H new ATOM 943 N ASP A 63 -15.572 3.084 4.079 1.00 4.87 N ATOM 944 CA ASP A 63 -16.189 2.391 2.984 1.00 5.36 C ATOM 945 C ASP A 63 -15.153 1.552 2.264 1.00 5.66 C ATOM 946 O ASP A 63 -14.164 2.062 1.752 1.00 6.14 O ATOM 947 CB ASP A 63 -16.832 3.390 2.041 1.00 5.84 C ATOM 948 CG ASP A 63 -17.928 2.774 1.195 1.00 6.49 C ATOM 949 OD1 ASP A 63 -17.612 2.205 0.128 1.00 6.76 O1- ATOM 950 OD2 ASP A 63 -19.107 2.851 1.588 1.00 7.01 O ATOM 0 H ASP A 63 -14.575 2.898 4.185 1.00 4.87 H new ATOM 0 HA ASP A 63 -16.967 1.728 3.361 1.00 5.36 H new ATOM 0 HB2 ASP A 63 -17.246 4.215 2.620 1.00 5.84 H new ATOM 0 HB3 ASP A 63 -16.068 3.811 1.388 1.00 5.84 H new ATOM 955 N GLY A 64 -15.350 0.247 2.308 1.00 5.66 N ATOM 956 CA GLY A 64 -14.670 -0.648 1.393 1.00 6.25 C ATOM 957 C GLY A 64 -13.228 -0.842 1.740 1.00 6.54 C ATOM 958 O GLY A 64 -12.480 -1.451 0.977 1.00 7.20 O ATOM 0 H GLY A 64 -15.975 -0.216 2.968 1.00 5.66 H new ATOM 0 HA2 GLY A 64 -15.173 -1.615 1.396 1.00 6.25 H new ATOM 0 HA3 GLY A 64 -14.746 -0.252 0.380 1.00 6.25 H new ATOM 962 N ALA A 65 -12.851 -0.295 2.891 1.00 6.34 N ATOM 963 CA ALA A 65 -11.515 -0.419 3.438 1.00 6.92 C ATOM 964 C ALA A 65 -10.471 0.321 2.592 1.00 7.26 C ATOM 965 O ALA A 65 -9.267 0.194 2.819 1.00 7.82 O ATOM 966 CB ALA A 65 -11.155 -1.885 3.600 1.00 7.42 C ATOM 0 H ALA A 65 -13.480 0.255 3.476 1.00 6.34 H new ATOM 0 HA ALA A 65 -11.510 0.056 4.419 1.00 6.92 H new ATOM 0 HB1 ALA A 65 -10.149 -1.969 4.012 1.00 7.42 H new ATOM 0 HB2 ALA A 65 -11.865 -2.361 4.276 1.00 7.42 H new ATOM 0 HB3 ALA A 65 -11.192 -2.378 2.629 1.00 7.42 H new ATOM 972 N ALA A 66 -10.946 1.113 1.633 1.00 7.17 N ATOM 973 CA ALA A 66 -10.075 1.854 0.723 1.00 7.77 C ATOM 974 C ALA A 66 -10.898 2.834 -0.101 1.00 7.57 C ATOM 975 O ALA A 66 -10.446 3.930 -0.430 1.00 8.11 O ATOM 976 CB ALA A 66 -9.328 0.900 -0.203 1.00 8.65 C ATOM 0 H ALA A 66 -11.941 1.259 1.465 1.00 7.17 H new ATOM 0 HA ALA A 66 -9.345 2.405 1.316 1.00 7.77 H new ATOM 0 HB1 ALA A 66 -8.685 1.472 -0.872 1.00 8.65 H new ATOM 0 HB2 ALA A 66 -8.719 0.219 0.391 1.00 8.65 H new ATOM 0 HB3 ALA A 66 -10.045 0.327 -0.790 1.00 8.65 H new ATOM 982 N VAL A 67 -12.109 2.403 -0.427 1.00 6.98 N ATOM 983 CA VAL A 67 -13.083 3.209 -1.161 1.00 6.95 C ATOM 984 C VAL A 67 -13.325 4.537 -0.464 1.00 6.91 C ATOM 985 O VAL A 67 -13.299 5.598 -1.089 1.00 7.31 O ATOM 986 CB VAL A 67 -14.423 2.461 -1.221 1.00 6.72 C ATOM 987 CG1 VAL A 67 -15.426 3.207 -2.072 1.00 6.95 C ATOM 988 CG2 VAL A 67 -14.223 1.041 -1.710 1.00 6.89 C ATOM 0 H VAL A 67 -12.450 1.472 -0.187 1.00 6.98 H new ATOM 0 HA VAL A 67 -12.687 3.387 -2.161 1.00 6.95 H new ATOM 0 HB VAL A 67 -14.830 2.410 -0.211 1.00 6.72 H new ATOM 0 HG11 VAL A 67 -16.365 2.654 -2.096 1.00 6.95 H new ATOM 0 HG12 VAL A 67 -15.598 4.196 -1.648 1.00 6.95 H new ATOM 0 HG13 VAL A 67 -15.039 3.309 -3.086 1.00 6.95 H new ATOM 0 HG21 VAL A 67 -15.185 0.529 -1.745 1.00 6.89 H new ATOM 0 HG22 VAL A 67 -13.785 1.058 -2.708 1.00 6.89 H new ATOM 0 HG23 VAL A 67 -13.555 0.513 -1.030 1.00 6.89 H new ATOM 998 N ARG A 68 -13.596 4.411 0.831 1.00 6.66 N ATOM 999 CA ARG A 68 -13.869 5.504 1.768 1.00 6.87 C ATOM 1000 C ARG A 68 -15.074 6.342 1.346 1.00 7.21 C ATOM 1001 O ARG A 68 -15.719 6.071 0.333 1.00 7.68 O ATOM 1002 CB ARG A 68 -12.626 6.366 2.029 1.00 7.41 C ATOM 1003 CG ARG A 68 -12.223 7.221 0.867 1.00 7.79 C ATOM 1004 CD ARG A 68 -11.143 8.221 1.242 1.00 8.65 C ATOM 1005 NE ARG A 68 -11.568 9.117 2.315 1.00 8.94 N ATOM 1006 CZ ARG A 68 -10.764 9.552 3.288 1.00 9.70 C ATOM 1007 NH1 ARG A 68 -9.498 9.155 3.342 1.00 10.21 N1+ ATOM 1008 NH2 ARG A 68 -11.231 10.369 4.223 1.00 10.14 N ATOM 0 H ARG A 68 -13.634 3.497 1.282 1.00 6.66 H new ATOM 0 HA ARG A 68 -14.133 5.040 2.718 1.00 6.87 H new ATOM 0 HB2 ARG A 68 -12.815 7.007 2.890 1.00 7.41 H new ATOM 0 HB3 ARG A 68 -11.793 5.714 2.293 1.00 7.41 H new ATOM 0 HG2 ARG A 68 -11.863 6.586 0.057 1.00 7.79 H new ATOM 0 HG3 ARG A 68 -13.096 7.754 0.490 1.00 7.79 H new ATOM 0 HD2 ARG A 68 -10.246 7.685 1.553 1.00 8.65 H new ATOM 0 HD3 ARG A 68 -10.875 8.809 0.365 1.00 8.65 H new ATOM 0 HE ARG A 68 -12.539 9.429 2.321 1.00 8.94 H new ATOM 0 HH11 ARG A 68 -9.134 8.514 2.637 1.00 10.21 H new ATOM 0 HH12 ARG A 68 -8.889 9.491 4.088 1.00 10.21 H new ATOM 0 HH21 ARG A 68 -12.206 10.666 4.200 1.00 10.14 H new ATOM 0 HH22 ARG A 68 -10.615 10.700 4.965 1.00 10.14 H new ATOM 1022 N ILE A 69 -15.389 7.316 2.197 1.00 7.25 N ATOM 1023 CA ILE A 69 -16.559 8.190 2.054 1.00 7.89 C ATOM 1024 C ILE A 69 -16.811 8.614 0.616 1.00 8.72 C ATOM 1025 O ILE A 69 -15.892 8.822 -0.168 1.00 8.86 O ATOM 1026 CB ILE A 69 -16.394 9.475 2.891 1.00 7.93 C ATOM 1027 CG1 ILE A 69 -15.862 9.141 4.290 1.00 7.29 C ATOM 1028 CG2 ILE A 69 -17.702 10.232 2.988 1.00 8.79 C ATOM 1029 CD1 ILE A 69 -15.745 10.339 5.209 1.00 7.43 C ATOM 0 H ILE A 69 -14.829 7.527 3.023 1.00 7.25 H new ATOM 0 HA ILE A 69 -17.405 7.599 2.404 1.00 7.89 H new ATOM 0 HB ILE A 69 -15.670 10.115 2.387 1.00 7.93 H new ATOM 0 HG12 ILE A 69 -16.521 8.405 4.752 1.00 7.29 H new ATOM 0 HG13 ILE A 69 -14.882 8.674 4.192 1.00 7.29 H new ATOM 0 HG21 ILE A 69 -17.557 11.134 3.583 1.00 8.79 H new ATOM 0 HG22 ILE A 69 -18.038 10.507 1.988 1.00 8.79 H new ATOM 0 HG23 ILE A 69 -18.453 9.601 3.462 1.00 8.79 H new ATOM 0 HD11 ILE A 69 -15.362 10.018 6.178 1.00 7.43 H new ATOM 0 HD12 ILE A 69 -15.062 11.068 4.772 1.00 7.43 H new ATOM 0 HD13 ILE A 69 -16.727 10.795 5.340 1.00 7.43 H new ATOM 1041 N ASP A 70 -18.082 8.760 0.304 1.00 9.49 N ATOM 1042 CA ASP A 70 -18.521 9.226 -0.996 1.00 10.50 C ATOM 1043 C ASP A 70 -18.343 10.731 -1.070 1.00 10.98 C ATOM 1044 O ASP A 70 -17.975 11.304 -2.094 1.00 11.84 O ATOM 1045 CB ASP A 70 -19.984 8.866 -1.195 1.00 11.29 C ATOM 1046 CG ASP A 70 -20.478 9.212 -2.584 1.00 12.36 C ATOM 1047 OD1 ASP A 70 -20.180 8.457 -3.531 1.00 12.66 O1- ATOM 1048 OD2 ASP A 70 -21.168 10.243 -2.736 1.00 13.02 O ATOM 0 H ASP A 70 -18.845 8.557 0.950 1.00 9.49 H new ATOM 0 HA ASP A 70 -17.929 8.753 -1.779 1.00 10.50 H new ATOM 0 HB2 ASP A 70 -20.120 7.799 -1.019 1.00 11.29 H new ATOM 0 HB3 ASP A 70 -20.589 9.391 -0.456 1.00 11.29 H new ATOM 1053 N GLY A 71 -18.670 11.343 0.065 1.00 10.56 N ATOM 1054 CA GLY A 71 -18.442 12.750 0.298 1.00 11.12 C ATOM 1055 C GLY A 71 -17.027 13.166 -0.006 1.00 11.32 C ATOM 1056 O GLY A 71 -16.788 14.254 -0.523 1.00 12.13 O ATOM 0 H GLY A 71 -19.105 10.863 0.852 1.00 10.56 H new ATOM 0 HA2 GLY A 71 -19.128 13.332 -0.317 1.00 11.12 H new ATOM 0 HA3 GLY A 71 -18.670 12.984 1.338 1.00 11.12 H new ATOM 1060 N ARG A 72 -16.095 12.313 0.368 1.00 10.73 N ATOM 1061 CA ARG A 72 -14.698 12.528 0.101 1.00 11.04 C ATOM 1062 C ARG A 72 -14.016 11.210 -0.250 1.00 10.55 C ATOM 1063 O ARG A 72 -13.768 10.353 0.605 1.00 9.83 O ATOM 1064 CB ARG A 72 -14.073 13.186 1.308 1.00 11.16 C ATOM 1065 CG ARG A 72 -14.133 12.349 2.570 1.00 10.42 C ATOM 1066 CD ARG A 72 -13.602 13.120 3.766 1.00 10.89 C ATOM 1067 NE ARG A 72 -14.358 14.348 3.997 1.00 11.31 N ATOM 1068 CZ ARG A 72 -13.994 15.304 4.847 1.00 11.83 C ATOM 1069 NH1 ARG A 72 -12.913 15.149 5.601 1.00 12.00 N1+ ATOM 1070 NH2 ARG A 72 -14.721 16.409 4.954 1.00 12.38 N ATOM 0 H ARG A 72 -16.293 11.447 0.869 1.00 10.73 H new ATOM 0 HA ARG A 72 -14.573 13.186 -0.759 1.00 11.04 H new ATOM 0 HB2 ARG A 72 -13.031 13.414 1.085 1.00 11.16 H new ATOM 0 HB3 ARG A 72 -14.575 14.136 1.491 1.00 11.16 H new ATOM 0 HG2 ARG A 72 -15.162 12.044 2.759 1.00 10.42 H new ATOM 0 HG3 ARG A 72 -13.550 11.438 2.433 1.00 10.42 H new ATOM 0 HD2 ARG A 72 -13.650 12.491 4.655 1.00 10.89 H new ATOM 0 HD3 ARG A 72 -12.552 13.364 3.604 1.00 10.89 H new ATOM 0 HE ARG A 72 -15.222 14.481 3.472 1.00 11.31 H new ATOM 0 HH11 ARG A 72 -12.359 14.295 5.529 1.00 12.00 H new ATOM 0 HH12 ARG A 72 -12.636 15.884 6.252 1.00 12.00 H new ATOM 0 HH21 ARG A 72 -15.559 16.525 4.384 1.00 12.38 H new ATOM 0 HH22 ARG A 72 -14.442 17.142 5.606 1.00 12.38 H new ATOM 1084 N VAL A 73 -13.704 11.073 -1.516 1.00 11.11 N ATOM 1085 CA VAL A 73 -13.287 9.798 -2.079 1.00 10.97 C ATOM 1086 C VAL A 73 -11.802 9.789 -2.413 1.00 10.92 C ATOM 1087 O VAL A 73 -11.196 10.849 -2.585 1.00 11.44 O ATOM 1088 CB VAL A 73 -14.079 9.474 -3.362 1.00 11.58 C ATOM 1089 CG1 VAL A 73 -13.810 8.054 -3.828 1.00 11.61 C ATOM 1090 CG2 VAL A 73 -15.568 9.695 -3.160 1.00 11.56 C ATOM 0 H VAL A 73 -13.730 11.838 -2.190 1.00 11.11 H new ATOM 0 HA VAL A 73 -13.488 9.043 -1.319 1.00 10.97 H new ATOM 0 HB VAL A 73 -13.737 10.158 -4.139 1.00 11.58 H new ATOM 0 HG11 VAL A 73 -14.382 7.854 -4.734 1.00 11.61 H new ATOM 0 HG12 VAL A 73 -12.747 7.935 -4.036 1.00 11.61 H new ATOM 0 HG13 VAL A 73 -14.108 7.353 -3.049 1.00 11.61 H new ATOM 0 HG21 VAL A 73 -16.099 9.458 -4.082 1.00 11.56 H new ATOM 0 HG22 VAL A 73 -15.926 9.049 -2.359 1.00 11.56 H new ATOM 0 HG23 VAL A 73 -15.749 10.737 -2.894 1.00 11.56 H new ATOM 1100 N THR A 74 -11.239 8.576 -2.481 1.00 10.48 N ATOM 1101 CA THR A 74 -9.874 8.319 -2.939 1.00 10.58 C ATOM 1102 C THR A 74 -8.881 9.395 -2.499 1.00 10.71 C ATOM 1103 O THR A 74 -8.426 10.230 -3.285 1.00 10.65 O ATOM 1104 CB THR A 74 -9.806 8.093 -4.476 1.00 10.38 C ATOM 1105 OG1 THR A 74 -8.452 7.865 -4.881 1.00 10.63 O ATOM 1106 CG2 THR A 74 -10.385 9.260 -5.267 1.00 9.98 C ATOM 0 H THR A 74 -11.736 7.727 -2.211 1.00 10.48 H new ATOM 0 HA THR A 74 -9.571 7.393 -2.450 1.00 10.58 H new ATOM 0 HB THR A 74 -10.415 7.216 -4.694 1.00 10.38 H new ATOM 0 HG1 THR A 74 -8.420 7.722 -5.850 1.00 10.63 H new ATOM 0 HG21 THR A 74 -10.312 9.049 -6.334 1.00 9.98 H new ATOM 0 HG22 THR A 74 -11.431 9.400 -4.996 1.00 9.98 H new ATOM 0 HG23 THR A 74 -9.827 10.168 -5.038 1.00 9.98 H new ATOM 1114 N GLN A 75 -8.538 9.366 -1.222 1.00 11.10 N ATOM 1115 CA GLN A 75 -7.501 10.233 -0.698 1.00 11.47 C ATOM 1116 C GLN A 75 -6.188 9.476 -0.744 1.00 11.19 C ATOM 1117 O GLN A 75 -5.343 9.545 0.153 1.00 11.49 O ATOM 1118 CB GLN A 75 -7.854 10.668 0.716 1.00 12.23 C ATOM 1119 CG GLN A 75 -7.021 11.842 1.213 1.00 12.99 C ATOM 1120 CD GLN A 75 -7.349 12.234 2.639 1.00 13.67 C ATOM 1121 OE1 GLN A 75 -8.478 12.073 3.100 1.00 13.95 O ATOM 1122 NE2 GLN A 75 -6.361 12.754 3.349 1.00 14.09 N ATOM 0 H GLN A 75 -8.964 8.750 -0.530 1.00 11.10 H new ATOM 0 HA GLN A 75 -7.410 11.138 -1.298 1.00 11.47 H new ATOM 0 HB2 GLN A 75 -8.909 10.940 0.752 1.00 12.23 H new ATOM 0 HB3 GLN A 75 -7.719 9.824 1.392 1.00 12.23 H new ATOM 0 HG2 GLN A 75 -5.964 11.585 1.146 1.00 12.99 H new ATOM 0 HG3 GLN A 75 -7.183 12.699 0.559 1.00 12.99 H new ATOM 0 HE21 GLN A 75 -5.438 12.871 2.930 1.00 14.09 H new ATOM 0 HE22 GLN A 75 -6.522 13.038 4.315 1.00 14.09 H new ATOM 1131 N ASN A 76 -6.054 8.750 -1.826 1.00 10.79 N ATOM 1132 CA ASN A 76 -4.942 7.846 -2.044 1.00 10.66 C ATOM 1133 C ASN A 76 -4.775 7.620 -3.528 1.00 11.04 C ATOM 1134 O ASN A 76 -5.569 6.926 -4.166 1.00 11.22 O ATOM 1135 CB ASN A 76 -5.174 6.508 -1.350 1.00 10.19 C ATOM 1136 CG ASN A 76 -3.938 5.629 -1.345 1.00 9.94 C ATOM 1137 OD1 ASN A 76 -3.691 4.882 -2.290 1.00 10.12 O ATOM 1138 ND2 ASN A 76 -3.159 5.700 -0.275 1.00 9.78 N ATOM 0 H ASN A 76 -6.723 8.768 -2.595 1.00 10.79 H new ATOM 0 HA ASN A 76 -4.042 8.295 -1.624 1.00 10.66 H new ATOM 0 HB2 ASN A 76 -5.492 6.687 -0.323 1.00 10.19 H new ATOM 0 HB3 ASN A 76 -5.988 5.981 -1.849 1.00 10.19 H new ATOM 0 HD21 ASN A 76 -2.321 5.122 -0.215 1.00 9.78 H new ATOM 0 HD22 ASN A 76 -3.398 6.332 0.489 1.00 9.78 H new ATOM 1145 N LEU A 77 -3.730 8.218 -4.051 1.00 11.36 N ATOM 1146 CA LEU A 77 -3.421 8.223 -5.481 1.00 11.92 C ATOM 1147 C LEU A 77 -2.881 6.869 -5.927 1.00 11.78 C ATOM 1148 O LEU A 77 -2.223 6.756 -6.964 1.00 12.15 O ATOM 1149 CB LEU A 77 -2.372 9.299 -5.729 1.00 12.58 C ATOM 1150 CG LEU A 77 -2.889 10.742 -5.883 1.00 13.28 C ATOM 1151 CD1 LEU A 77 -4.003 11.055 -4.895 1.00 13.59 C ATOM 1152 CD2 LEU A 77 -1.747 11.725 -5.694 1.00 13.71 C ATOM 0 H LEU A 77 -3.049 8.729 -3.490 1.00 11.36 H new ATOM 0 HA LEU A 77 -4.328 8.425 -6.050 1.00 11.92 H new ATOM 0 HB2 LEU A 77 -1.660 9.278 -4.904 1.00 12.58 H new ATOM 0 HB3 LEU A 77 -1.821 9.036 -6.632 1.00 12.58 H new ATOM 0 HG LEU A 77 -3.298 10.838 -6.889 1.00 13.28 H new ATOM 0 HD11 LEU A 77 -4.338 12.082 -5.038 1.00 13.59 H new ATOM 0 HD12 LEU A 77 -4.838 10.374 -5.061 1.00 13.59 H new ATOM 0 HD13 LEU A 77 -3.632 10.933 -3.877 1.00 13.59 H new ATOM 0 HD21 LEU A 77 -2.121 12.743 -5.804 1.00 13.71 H new ATOM 0 HD22 LEU A 77 -1.321 11.601 -4.698 1.00 13.71 H new ATOM 0 HD23 LEU A 77 -0.978 11.538 -6.443 1.00 13.71 H new ATOM 1164 N GLY A 78 -3.124 5.862 -5.121 1.00 11.41 N ATOM 1165 CA GLY A 78 -2.550 4.560 -5.346 1.00 11.44 C ATOM 1166 C GLY A 78 -1.226 4.451 -4.634 1.00 10.55 C ATOM 1167 O GLY A 78 -0.991 3.504 -3.890 1.00 10.48 O ATOM 0 H GLY A 78 -3.721 5.923 -4.297 1.00 11.41 H new ATOM 0 HA2 GLY A 78 -3.230 3.787 -4.988 1.00 11.44 H new ATOM 0 HA3 GLY A 78 -2.413 4.394 -6.414 1.00 11.44 H new ATOM 1171 N VAL A 79 -0.369 5.441 -4.877 1.00 9.99 N ATOM 1172 CA VAL A 79 0.844 5.647 -4.096 1.00 9.16 C ATOM 1173 C VAL A 79 1.703 4.388 -4.019 1.00 8.69 C ATOM 1174 O VAL A 79 1.566 3.571 -3.105 1.00 8.93 O ATOM 1175 CB VAL A 79 0.485 6.130 -2.680 1.00 9.21 C ATOM 1176 CG1 VAL A 79 1.732 6.412 -1.862 1.00 8.66 C ATOM 1177 CG2 VAL A 79 -0.388 7.368 -2.764 1.00 9.75 C ATOM 0 H VAL A 79 -0.499 6.124 -5.624 1.00 9.99 H new ATOM 0 HA VAL A 79 1.432 6.410 -4.605 1.00 9.16 H new ATOM 0 HB VAL A 79 -0.068 5.337 -2.176 1.00 9.21 H new ATOM 0 HG11 VAL A 79 1.445 6.751 -0.867 1.00 8.66 H new ATOM 0 HG12 VAL A 79 2.326 5.502 -1.778 1.00 8.66 H new ATOM 0 HG13 VAL A 79 2.322 7.186 -2.353 1.00 8.66 H new ATOM 0 HG21 VAL A 79 -0.639 7.705 -1.758 1.00 9.75 H new ATOM 0 HG22 VAL A 79 0.150 8.158 -3.288 1.00 9.75 H new ATOM 0 HG23 VAL A 79 -1.303 7.132 -3.306 1.00 9.75 H new ATOM 1187 N ARG A 80 2.602 4.247 -4.973 1.00 8.26 N ATOM 1188 CA ARG A 80 3.460 3.077 -5.023 1.00 8.04 C ATOM 1189 C ARG A 80 4.661 3.285 -4.126 1.00 7.16 C ATOM 1190 O ARG A 80 5.431 4.233 -4.298 1.00 6.61 O ATOM 1191 CB ARG A 80 3.898 2.752 -6.455 1.00 8.39 C ATOM 1192 CG ARG A 80 2.746 2.339 -7.356 1.00 8.96 C ATOM 1193 CD ARG A 80 1.952 3.544 -7.842 1.00 9.63 C ATOM 1194 NE ARG A 80 0.761 3.164 -8.601 1.00 10.25 N ATOM 1195 CZ ARG A 80 -0.316 3.940 -8.732 1.00 10.94 C ATOM 1196 NH1 ARG A 80 -0.317 5.174 -8.242 1.00 11.11 N1+ ATOM 1197 NH2 ARG A 80 -1.379 3.499 -9.387 1.00 11.64 N ATOM 0 H ARG A 80 2.758 4.923 -5.721 1.00 8.26 H new ATOM 0 HA ARG A 80 2.889 2.221 -4.663 1.00 8.04 H new ATOM 0 HB2 ARG A 80 4.391 3.624 -6.884 1.00 8.39 H new ATOM 0 HB3 ARG A 80 4.636 1.950 -6.429 1.00 8.39 H new ATOM 0 HG2 ARG A 80 3.134 1.789 -8.213 1.00 8.96 H new ATOM 0 HG3 ARG A 80 2.085 1.662 -6.815 1.00 8.96 H new ATOM 0 HD2 ARG A 80 1.655 4.148 -6.985 1.00 9.63 H new ATOM 0 HD3 ARG A 80 2.592 4.168 -8.466 1.00 9.63 H new ATOM 0 HE ARG A 80 0.753 2.252 -9.057 1.00 10.25 H new ATOM 0 HH11 ARG A 80 0.509 5.533 -7.763 1.00 11.11 H new ATOM 0 HH12 ARG A 80 -1.143 5.763 -8.345 1.00 11.11 H new ATOM 0 HH21 ARG A 80 -1.376 2.563 -9.793 1.00 11.64 H new ATOM 0 HH22 ARG A 80 -2.201 4.095 -9.485 1.00 11.64 H new ATOM 1211 N THR A 81 4.813 2.395 -3.168 1.00 7.24 N ATOM 1212 CA THR A 81 5.808 2.544 -2.126 1.00 6.59 C ATOM 1213 C THR A 81 6.591 1.263 -1.935 1.00 6.82 C ATOM 1214 O THR A 81 6.111 0.171 -2.241 1.00 7.73 O ATOM 1215 CB THR A 81 5.156 2.923 -0.777 1.00 6.98 C ATOM 1216 OG1 THR A 81 4.130 1.979 -0.438 1.00 8.00 O ATOM 1217 CG2 THR A 81 4.559 4.317 -0.825 1.00 7.05 C ATOM 0 H THR A 81 4.250 1.548 -3.089 1.00 7.24 H new ATOM 0 HA THR A 81 6.479 3.342 -2.443 1.00 6.59 H new ATOM 0 HB THR A 81 5.937 2.905 -0.017 1.00 6.98 H new ATOM 0 HG1 THR A 81 4.005 1.967 0.534 1.00 8.00 H new ATOM 0 HG21 THR A 81 4.108 4.553 0.139 1.00 7.05 H new ATOM 0 HG22 THR A 81 5.343 5.041 -1.046 1.00 7.05 H new ATOM 0 HG23 THR A 81 3.796 4.360 -1.602 1.00 7.05 H new ATOM 1225 N ALA A 82 7.802 1.410 -1.444 1.00 6.18 N ATOM 1226 CA ALA A 82 8.600 0.280 -1.037 1.00 6.65 C ATOM 1227 C ALA A 82 8.973 0.456 0.422 1.00 6.65 C ATOM 1228 O ALA A 82 9.465 1.515 0.818 1.00 5.88 O ATOM 1229 CB ALA A 82 9.839 0.159 -1.911 1.00 6.36 C ATOM 0 H ALA A 82 8.258 2.314 -1.317 1.00 6.18 H new ATOM 0 HA ALA A 82 8.030 -0.642 -1.155 1.00 6.65 H new ATOM 0 HB1 ALA A 82 10.429 -0.699 -1.589 1.00 6.36 H new ATOM 0 HB2 ALA A 82 9.539 0.024 -2.950 1.00 6.36 H new ATOM 0 HB3 ALA A 82 10.438 1.065 -1.821 1.00 6.36 H new ATOM 1235 N GLU A 83 8.697 -0.552 1.224 1.00 7.70 N ATOM 1236 CA GLU A 83 8.994 -0.488 2.638 1.00 8.10 C ATOM 1237 C GLU A 83 10.479 -0.696 2.856 1.00 7.90 C ATOM 1238 O GLU A 83 11.078 -1.593 2.265 1.00 8.21 O ATOM 1239 CB GLU A 83 8.180 -1.528 3.405 1.00 9.47 C ATOM 1240 CG GLU A 83 8.328 -1.421 4.912 1.00 10.14 C ATOM 1241 CD GLU A 83 7.438 -2.392 5.656 1.00 11.52 C ATOM 1242 OE1 GLU A 83 7.702 -3.610 5.597 1.00 12.15 O ATOM 1243 OE2 GLU A 83 6.487 -1.941 6.322 1.00 12.06 O1- ATOM 0 H GLU A 83 8.267 -1.425 0.919 1.00 7.70 H new ATOM 0 HA GLU A 83 8.718 0.496 3.016 1.00 8.10 H new ATOM 0 HB2 GLU A 83 7.128 -1.420 3.143 1.00 9.47 H new ATOM 0 HB3 GLU A 83 8.487 -2.525 3.087 1.00 9.47 H new ATOM 0 HG2 GLU A 83 9.367 -1.605 5.185 1.00 10.14 H new ATOM 0 HG3 GLU A 83 8.091 -0.404 5.225 1.00 10.14 H new ATOM 1250 N VAL A 84 11.059 0.160 3.678 1.00 7.58 N ATOM 1251 CA VAL A 84 12.485 0.133 3.960 1.00 7.50 C ATOM 1252 C VAL A 84 12.967 -1.231 4.418 1.00 8.74 C ATOM 1253 O VAL A 84 12.387 -1.845 5.317 1.00 9.71 O ATOM 1254 CB VAL A 84 12.858 1.191 5.012 1.00 7.28 C ATOM 1255 CG1 VAL A 84 14.273 0.981 5.519 1.00 7.49 C ATOM 1256 CG2 VAL A 84 12.696 2.584 4.430 1.00 6.28 C ATOM 0 H VAL A 84 10.554 0.896 4.171 1.00 7.58 H new ATOM 0 HA VAL A 84 12.985 0.362 3.019 1.00 7.50 H new ATOM 0 HB VAL A 84 12.183 1.085 5.861 1.00 7.28 H new ATOM 0 HG11 VAL A 84 14.510 1.743 6.261 1.00 7.49 H new ATOM 0 HG12 VAL A 84 14.354 -0.006 5.974 1.00 7.49 H new ATOM 0 HG13 VAL A 84 14.973 1.055 4.686 1.00 7.49 H new ATOM 0 HG21 VAL A 84 12.962 3.326 5.183 1.00 6.28 H new ATOM 0 HG22 VAL A 84 13.349 2.695 3.564 1.00 6.28 H new ATOM 0 HG23 VAL A 84 11.660 2.733 4.125 1.00 6.28 H new ATOM 1266 N LYS A 85 14.041 -1.685 3.784 1.00 8.82 N ATOM 1267 CA LYS A 85 14.642 -2.972 4.086 1.00 10.03 C ATOM 1268 C LYS A 85 16.144 -2.830 4.179 1.00 10.02 C ATOM 1269 O LYS A 85 16.743 -2.061 3.438 1.00 9.25 O ATOM 1270 CB LYS A 85 14.314 -3.984 2.988 1.00 10.75 C ATOM 1271 CG LYS A 85 12.832 -4.135 2.735 1.00 10.58 C ATOM 1272 CD LYS A 85 12.124 -4.698 3.950 1.00 11.03 C ATOM 1273 CE LYS A 85 10.672 -4.275 3.975 1.00 10.50 C ATOM 1274 NZ LYS A 85 9.943 -4.884 5.119 1.00 11.02 N1+ ATOM 0 H LYS A 85 14.518 -1.168 3.045 1.00 8.82 H new ATOM 0 HA LYS A 85 14.240 -3.322 5.037 1.00 10.03 H new ATOM 0 HB2 LYS A 85 14.804 -3.678 2.064 1.00 10.75 H new ATOM 0 HB3 LYS A 85 14.729 -4.954 3.262 1.00 10.75 H new ATOM 0 HG2 LYS A 85 12.404 -3.166 2.478 1.00 10.58 H new ATOM 0 HG3 LYS A 85 12.671 -4.792 1.880 1.00 10.58 H new ATOM 0 HD2 LYS A 85 12.190 -5.786 3.942 1.00 11.03 H new ATOM 0 HD3 LYS A 85 12.622 -4.355 4.857 1.00 11.03 H new ATOM 0 HE2 LYS A 85 10.610 -3.189 4.040 1.00 10.50 H new ATOM 0 HE3 LYS A 85 10.192 -4.566 3.041 1.00 10.50 H new ATOM 0 HZ1 LYS A 85 8.937 -4.627 5.066 1.00 11.02 H new ATOM 0 HZ2 LYS A 85 10.038 -5.919 5.080 1.00 11.02 H new ATOM 0 HZ3 LYS A 85 10.343 -4.533 6.012 1.00 11.02 H new ATOM 1288 N LEU A 86 16.747 -3.552 5.096 1.00 10.96 N ATOM 1289 CA LEU A 86 18.197 -3.628 5.146 1.00 11.21 C ATOM 1290 C LEU A 86 18.697 -4.537 4.032 1.00 11.85 C ATOM 1291 O LEU A 86 17.951 -5.376 3.522 1.00 12.43 O ATOM 1292 CB LEU A 86 18.703 -4.128 6.505 1.00 12.08 C ATOM 1293 CG LEU A 86 18.512 -3.164 7.677 1.00 11.90 C ATOM 1294 CD1 LEU A 86 17.058 -3.113 8.123 1.00 11.97 C ATOM 1295 CD2 LEU A 86 19.413 -3.564 8.830 1.00 12.76 C ATOM 0 H LEU A 86 16.264 -4.093 5.814 1.00 10.96 H new ATOM 0 HA LEU A 86 18.590 -2.621 5.007 1.00 11.21 H new ATOM 0 HB2 LEU A 86 18.194 -5.063 6.740 1.00 12.08 H new ATOM 0 HB3 LEU A 86 19.765 -4.357 6.415 1.00 12.08 H new ATOM 0 HG LEU A 86 18.787 -2.163 7.343 1.00 11.90 H new ATOM 0 HD11 LEU A 86 16.957 -2.419 8.957 1.00 11.97 H new ATOM 0 HD12 LEU A 86 16.435 -2.777 7.294 1.00 11.97 H new ATOM 0 HD13 LEU A 86 16.739 -4.107 8.437 1.00 11.97 H new ATOM 0 HD21 LEU A 86 19.270 -2.872 9.660 1.00 12.76 H new ATOM 0 HD22 LEU A 86 19.164 -4.575 9.153 1.00 12.76 H new ATOM 0 HD23 LEU A 86 20.453 -3.533 8.506 1.00 12.76 H new ATOM 1307 N GLY A 87 19.954 -4.373 3.658 1.00 11.89 N ATOM 1308 CA GLY A 87 20.522 -5.198 2.607 1.00 12.65 C ATOM 1309 C GLY A 87 21.919 -4.781 2.234 1.00 12.97 C ATOM 1310 O GLY A 87 22.279 -4.760 1.058 1.00 13.25 O ATOM 0 H GLY A 87 20.593 -3.687 4.060 1.00 11.89 H new ATOM 0 HA2 GLY A 87 20.532 -6.238 2.932 1.00 12.65 H new ATOM 0 HA3 GLY A 87 19.884 -5.146 1.725 1.00 12.65 H new ATOM 1314 N ARG A 88 22.709 -4.460 3.235 1.00 13.08 N ATOM 1315 CA ARG A 88 24.061 -3.962 3.013 1.00 13.46 C ATOM 1316 C ARG A 88 25.042 -5.082 2.654 1.00 14.71 C ATOM 1317 O ARG A 88 24.665 -6.253 2.567 1.00 15.30 O ATOM 1318 CB ARG A 88 24.570 -3.229 4.252 1.00 13.18 C ATOM 1319 CG ARG A 88 25.040 -4.146 5.368 1.00 13.67 C ATOM 1320 CD ARG A 88 23.940 -5.064 5.856 1.00 14.20 C ATOM 1321 NE ARG A 88 24.328 -5.804 7.054 1.00 14.90 N ATOM 1322 CZ ARG A 88 24.078 -7.095 7.270 1.00 15.63 C ATOM 1323 NH1 ARG A 88 23.465 -7.831 6.351 1.00 15.77 N1+ ATOM 1324 NH2 ARG A 88 24.439 -7.640 8.420 1.00 16.35 N ATOM 0 H ARG A 88 22.443 -4.533 4.217 1.00 13.08 H new ATOM 0 HA ARG A 88 24.007 -3.275 2.168 1.00 13.46 H new ATOM 0 HB2 ARG A 88 25.394 -2.577 3.962 1.00 13.18 H new ATOM 0 HB3 ARG A 88 23.775 -2.588 4.634 1.00 13.18 H new ATOM 0 HG2 ARG A 88 25.880 -4.744 5.015 1.00 13.67 H new ATOM 0 HG3 ARG A 88 25.405 -3.545 6.201 1.00 13.67 H new ATOM 0 HD2 ARG A 88 23.047 -4.477 6.068 1.00 14.20 H new ATOM 0 HD3 ARG A 88 23.679 -5.768 5.065 1.00 14.20 H new ATOM 0 HE ARG A 88 24.829 -5.293 7.781 1.00 14.90 H new ATOM 0 HH11 ARG A 88 23.180 -7.409 5.467 1.00 15.77 H new ATOM 0 HH12 ARG A 88 23.280 -8.818 6.529 1.00 15.77 H new ATOM 0 HH21 ARG A 88 24.903 -7.073 9.130 1.00 16.35 H new ATOM 0 HH22 ARG A 88 24.253 -8.627 8.597 1.00 16.35 H new ATOM 1338 N LEU A 89 26.303 -4.709 2.477 1.00 15.20 N ATOM 1339 CA LEU A 89 27.382 -5.671 2.311 1.00 16.46 C ATOM 1340 C LEU A 89 28.569 -5.277 3.195 1.00 16.93 C ATOM 1341 O LEU A 89 29.240 -4.274 2.961 1.00 16.94 O ATOM 1342 CB LEU A 89 27.818 -5.828 0.841 1.00 16.92 C ATOM 1343 CG LEU A 89 28.351 -4.568 0.141 1.00 17.63 C ATOM 1344 CD1 LEU A 89 29.154 -4.954 -1.092 1.00 18.22 C ATOM 1345 CD2 LEU A 89 27.214 -3.639 -0.259 1.00 17.91 C ATOM 0 H LEU A 89 26.605 -3.735 2.445 1.00 15.20 H new ATOM 0 HA LEU A 89 27.005 -6.645 2.624 1.00 16.46 H new ATOM 0 HB2 LEU A 89 28.591 -6.595 0.795 1.00 16.92 H new ATOM 0 HB3 LEU A 89 26.966 -6.199 0.271 1.00 16.92 H new ATOM 0 HG LEU A 89 28.995 -4.041 0.844 1.00 17.63 H new ATOM 0 HD11 LEU A 89 29.527 -4.053 -1.580 1.00 18.22 H new ATOM 0 HD12 LEU A 89 29.995 -5.581 -0.797 1.00 18.22 H new ATOM 0 HD13 LEU A 89 28.516 -5.504 -1.784 1.00 18.22 H new ATOM 0 HD21 LEU A 89 27.622 -2.756 -0.752 1.00 17.91 H new ATOM 0 HD22 LEU A 89 26.543 -4.159 -0.943 1.00 17.91 H new ATOM 0 HD23 LEU A 89 26.662 -3.335 0.631 1.00 17.91 H new ATOM 1357 N GLY A 90 28.783 -6.061 4.236 1.00 17.39 N ATOM 1358 CA GLY A 90 29.889 -5.829 5.154 1.00 17.91 C ATOM 1359 C GLY A 90 29.408 -5.808 6.589 1.00 17.35 C ATOM 1360 O GLY A 90 28.262 -6.172 6.853 1.00 17.38 O ATOM 0 H GLY A 90 28.204 -6.868 4.469 1.00 17.39 H new ATOM 0 HA2 GLY A 90 30.639 -6.610 5.030 1.00 17.91 H new ATOM 0 HA3 GLY A 90 30.372 -4.882 4.915 1.00 17.91 H new ATOM 1364 N SER A 91 30.256 -5.398 7.529 1.00 16.99 N ATOM 1365 CA SER A 91 29.799 -5.239 8.900 1.00 16.48 C ATOM 1366 C SER A 91 29.290 -3.817 9.101 1.00 15.54 C ATOM 1367 O SER A 91 29.946 -2.959 9.696 1.00 15.66 O ATOM 1368 CB SER A 91 30.928 -5.558 9.879 1.00 16.77 C ATOM 1369 OG SER A 91 32.100 -4.828 9.561 1.00 17.11 O ATOM 0 H SER A 91 31.239 -5.176 7.370 1.00 16.99 H new ATOM 0 HA SER A 91 28.984 -5.936 9.093 1.00 16.48 H new ATOM 0 HB2 SER A 91 30.611 -5.319 10.894 1.00 16.77 H new ATOM 0 HB3 SER A 91 31.143 -6.626 9.855 1.00 16.77 H new ATOM 0 HG SER A 91 31.881 -3.876 9.483 1.00 17.11 H new ATOM 1375 N THR A 92 28.124 -3.591 8.545 1.00 14.73 N ATOM 1376 CA THR A 92 27.396 -2.342 8.632 1.00 13.85 C ATOM 1377 C THR A 92 25.951 -2.685 8.395 1.00 13.26 C ATOM 1378 O THR A 92 25.672 -3.822 8.061 1.00 13.32 O ATOM 1379 CB THR A 92 27.883 -1.309 7.591 1.00 13.23 C ATOM 1380 OG1 THR A 92 29.315 -1.336 7.510 1.00 13.97 O ATOM 1381 CG2 THR A 92 27.434 0.098 7.955 1.00 12.68 C ATOM 0 H THR A 92 27.635 -4.299 7.997 1.00 14.73 H new ATOM 0 HA THR A 92 27.552 -1.880 9.607 1.00 13.85 H new ATOM 0 HB THR A 92 27.447 -1.576 6.628 1.00 13.23 H new ATOM 0 HG1 THR A 92 29.618 -0.680 6.848 1.00 13.97 H new ATOM 0 HG21 THR A 92 27.793 0.800 7.203 1.00 12.68 H new ATOM 0 HG22 THR A 92 26.345 0.134 7.995 1.00 12.68 H new ATOM 0 HG23 THR A 92 27.842 0.370 8.929 1.00 12.68 H new ATOM 1389 N GLU A 93 25.034 -1.776 8.629 1.00 12.87 N ATOM 1390 CA GLU A 93 23.663 -2.010 8.220 1.00 12.37 C ATOM 1391 C GLU A 93 23.041 -0.765 7.629 1.00 11.13 C ATOM 1392 O GLU A 93 22.925 0.269 8.283 1.00 10.78 O ATOM 1393 CB GLU A 93 22.831 -2.549 9.365 1.00 13.03 C ATOM 1394 CG GLU A 93 22.800 -4.064 9.373 1.00 13.80 C ATOM 1395 CD GLU A 93 23.644 -4.672 10.472 1.00 14.57 C ATOM 1396 OE1 GLU A 93 23.311 -4.502 11.663 1.00 14.92 O1- ATOM 1397 OE2 GLU A 93 24.660 -5.314 10.148 1.00 14.94 O ATOM 0 H GLU A 93 25.203 -0.883 9.091 1.00 12.87 H new ATOM 0 HA GLU A 93 23.681 -2.769 7.438 1.00 12.37 H new ATOM 0 HB2 GLU A 93 23.237 -2.189 10.310 1.00 13.03 H new ATOM 0 HB3 GLU A 93 21.814 -2.165 9.288 1.00 13.03 H new ATOM 0 HG2 GLU A 93 21.769 -4.399 9.488 1.00 13.80 H new ATOM 0 HG3 GLU A 93 23.150 -4.433 8.409 1.00 13.80 H new ATOM 1404 N ARG A 94 22.648 -0.885 6.371 1.00 10.57 N ATOM 1405 CA ARG A 94 22.104 0.235 5.631 1.00 9.39 C ATOM 1406 C ARG A 94 20.715 -0.110 5.113 1.00 8.96 C ATOM 1407 O ARG A 94 20.378 -1.288 4.972 1.00 9.64 O ATOM 1408 CB ARG A 94 23.015 0.602 4.459 1.00 9.13 C ATOM 1409 CG ARG A 94 23.093 2.091 4.162 1.00 9.07 C ATOM 1410 CD ARG A 94 24.039 2.805 5.115 1.00 9.14 C ATOM 1411 NE ARG A 94 23.476 2.988 6.453 1.00 9.49 N ATOM 1412 CZ ARG A 94 24.218 3.195 7.544 1.00 9.84 C ATOM 1413 NH1 ARG A 94 25.543 3.194 7.459 1.00 9.96 N1+ ATOM 1414 NH2 ARG A 94 23.636 3.407 8.719 1.00 10.27 N ATOM 0 H ARG A 94 22.698 -1.755 5.841 1.00 10.57 H new ATOM 0 HA ARG A 94 22.038 1.091 6.302 1.00 9.39 H new ATOM 0 HB2 ARG A 94 24.019 0.233 4.667 1.00 9.13 H new ATOM 0 HB3 ARG A 94 22.664 0.084 3.566 1.00 9.13 H new ATOM 0 HG2 ARG A 94 23.429 2.240 3.136 1.00 9.07 H new ATOM 0 HG3 ARG A 94 22.098 2.530 4.239 1.00 9.07 H new ATOM 0 HD2 ARG A 94 24.965 2.236 5.192 1.00 9.14 H new ATOM 0 HD3 ARG A 94 24.297 3.779 4.699 1.00 9.14 H new ATOM 0 HE ARG A 94 22.462 2.956 6.558 1.00 9.49 H new ATOM 0 HH11 ARG A 94 25.996 3.035 6.559 1.00 9.96 H new ATOM 0 HH12 ARG A 94 26.108 3.352 8.294 1.00 9.96 H new ATOM 0 HH21 ARG A 94 22.619 3.412 8.791 1.00 10.27 H new ATOM 0 HH22 ARG A 94 24.207 3.565 9.550 1.00 10.27 H new ATOM 1428 N LEU A 95 19.929 0.904 4.814 1.00 7.97 N ATOM 1429 CA LEU A 95 18.575 0.712 4.323 1.00 7.54 C ATOM 1430 C LEU A 95 18.552 0.834 2.799 1.00 6.99 C ATOM 1431 O LEU A 95 18.970 1.840 2.237 1.00 6.27 O ATOM 1432 CB LEU A 95 17.660 1.767 4.950 1.00 6.93 C ATOM 1433 CG LEU A 95 17.540 1.748 6.483 1.00 7.79 C ATOM 1434 CD1 LEU A 95 17.383 0.328 7.007 1.00 8.88 C ATOM 1435 CD2 LEU A 95 18.729 2.436 7.143 1.00 7.89 C ATOM 0 H LEU A 95 20.207 1.881 4.903 1.00 7.97 H new ATOM 0 HA LEU A 95 18.223 -0.282 4.598 1.00 7.54 H new ATOM 0 HB2 LEU A 95 18.018 2.751 4.648 1.00 6.93 H new ATOM 0 HB3 LEU A 95 16.662 1.647 4.528 1.00 6.93 H new ATOM 0 HG LEU A 95 16.641 2.307 6.744 1.00 7.79 H new ATOM 0 HD11 LEU A 95 17.301 0.348 8.094 1.00 8.88 H new ATOM 0 HD12 LEU A 95 16.484 -0.119 6.583 1.00 8.88 H new ATOM 0 HD13 LEU A 95 18.252 -0.264 6.720 1.00 8.88 H new ATOM 0 HD21 LEU A 95 18.612 2.405 8.226 1.00 7.89 H new ATOM 0 HD22 LEU A 95 19.648 1.922 6.862 1.00 7.89 H new ATOM 0 HD23 LEU A 95 18.778 3.474 6.813 1.00 7.89 H new ATOM 1447 N LEU A 96 18.090 -0.218 2.137 1.00 7.59 N ATOM 1448 CA LEU A 96 18.044 -0.258 0.683 1.00 7.52 C ATOM 1449 C LEU A 96 16.675 0.163 0.180 1.00 6.76 C ATOM 1450 O LEU A 96 15.648 -0.303 0.679 1.00 6.96 O ATOM 1451 CB LEU A 96 18.386 -1.658 0.157 1.00 8.83 C ATOM 1452 CG LEU A 96 19.877 -1.960 -0.030 1.00 9.65 C ATOM 1453 CD1 LEU A 96 20.478 -1.050 -1.094 1.00 9.37 C ATOM 1454 CD2 LEU A 96 20.628 -1.824 1.288 1.00 9.78 C ATOM 0 H LEU A 96 17.739 -1.062 2.590 1.00 7.59 H new ATOM 0 HA LEU A 96 18.790 0.443 0.308 1.00 7.52 H new ATOM 0 HB2 LEU A 96 17.970 -2.394 0.845 1.00 8.83 H new ATOM 0 HB3 LEU A 96 17.885 -1.797 -0.801 1.00 8.83 H new ATOM 0 HG LEU A 96 19.977 -2.992 -0.367 1.00 9.65 H new ATOM 0 HD11 LEU A 96 21.537 -1.279 -1.213 1.00 9.37 H new ATOM 0 HD12 LEU A 96 19.964 -1.209 -2.042 1.00 9.37 H new ATOM 0 HD13 LEU A 96 20.364 -0.010 -0.790 1.00 9.37 H new ATOM 0 HD21 LEU A 96 21.684 -2.043 1.129 1.00 9.78 H new ATOM 0 HD22 LEU A 96 20.521 -0.807 1.664 1.00 9.78 H new ATOM 0 HD23 LEU A 96 20.217 -2.525 2.015 1.00 9.78 H new ATOM 1466 N VAL A 97 16.678 1.022 -0.826 1.00 6.13 N ATOM 1467 CA VAL A 97 15.459 1.595 -1.371 1.00 5.45 C ATOM 1468 C VAL A 97 15.667 1.892 -2.845 1.00 5.86 C ATOM 1469 O VAL A 97 16.783 2.183 -3.268 1.00 6.40 O ATOM 1470 CB VAL A 97 15.097 2.898 -0.627 1.00 4.23 C ATOM 1471 CG1 VAL A 97 16.281 3.836 -0.621 1.00 4.19 C ATOM 1472 CG2 VAL A 97 13.892 3.596 -1.207 1.00 4.01 C ATOM 0 H VAL A 97 17.529 1.342 -1.289 1.00 6.13 H new ATOM 0 HA VAL A 97 14.642 0.884 -1.245 1.00 5.45 H new ATOM 0 HB VAL A 97 14.837 2.615 0.393 1.00 4.23 H new ATOM 0 HG11 VAL A 97 16.016 4.753 -0.094 1.00 4.19 H new ATOM 0 HG12 VAL A 97 17.121 3.358 -0.118 1.00 4.19 H new ATOM 0 HG13 VAL A 97 16.561 4.075 -1.647 1.00 4.19 H new ATOM 0 HG21 VAL A 97 13.690 4.504 -0.640 1.00 4.01 H new ATOM 0 HG22 VAL A 97 14.087 3.854 -2.248 1.00 4.01 H new ATOM 0 HG23 VAL A 97 13.027 2.935 -1.153 1.00 4.01 H new ATOM 1482 N PRO A 98 14.615 1.791 -3.654 1.00 5.92 N ATOM 1483 CA PRO A 98 14.671 2.185 -5.057 1.00 6.55 C ATOM 1484 C PRO A 98 15.121 3.638 -5.179 1.00 6.22 C ATOM 1485 O PRO A 98 14.595 4.504 -4.488 1.00 5.29 O ATOM 1486 CB PRO A 98 13.227 1.988 -5.536 1.00 6.53 C ATOM 1487 CG PRO A 98 12.660 0.980 -4.596 1.00 6.39 C ATOM 1488 CD PRO A 98 13.289 1.290 -3.268 1.00 5.71 C ATOM 0 HA PRO A 98 15.383 1.610 -5.649 1.00 6.55 H new ATOM 0 HB2 PRO A 98 12.666 2.922 -5.503 1.00 6.53 H new ATOM 0 HB3 PRO A 98 13.195 1.633 -6.566 1.00 6.53 H new ATOM 0 HG2 PRO A 98 11.574 1.055 -4.545 1.00 6.39 H new ATOM 0 HG3 PRO A 98 12.895 -0.035 -4.917 1.00 6.39 H new ATOM 0 HD2 PRO A 98 12.719 2.035 -2.713 1.00 5.71 H new ATOM 0 HD3 PRO A 98 13.358 0.405 -2.635 1.00 5.71 H new ATOM 1496 N SER A 99 16.102 3.898 -6.035 1.00 7.21 N ATOM 1497 CA SER A 99 16.756 5.206 -6.086 1.00 7.37 C ATOM 1498 C SER A 99 15.765 6.347 -6.349 1.00 7.21 C ATOM 1499 O SER A 99 15.990 7.480 -5.921 1.00 7.21 O ATOM 1500 CB SER A 99 17.858 5.198 -7.151 1.00 8.73 C ATOM 1501 OG SER A 99 18.647 6.374 -7.092 1.00 9.29 O ATOM 0 H SER A 99 16.465 3.221 -6.706 1.00 7.21 H new ATOM 0 HA SER A 99 17.197 5.389 -5.106 1.00 7.37 H new ATOM 0 HB2 SER A 99 18.494 4.324 -7.011 1.00 8.73 H new ATOM 0 HB3 SER A 99 17.409 5.109 -8.140 1.00 8.73 H new ATOM 0 HG SER A 99 19.341 6.337 -7.783 1.00 9.29 H new ATOM 1507 N GLU A 100 14.657 6.054 -7.016 1.00 7.31 N ATOM 1508 CA GLU A 100 13.671 7.085 -7.322 1.00 7.41 C ATOM 1509 C GLU A 100 12.709 7.305 -6.156 1.00 6.33 C ATOM 1510 O GLU A 100 11.773 8.098 -6.263 1.00 6.56 O ATOM 1511 CB GLU A 100 12.888 6.718 -8.581 1.00 8.22 C ATOM 1512 CG GLU A 100 13.768 6.456 -9.790 1.00 9.47 C ATOM 1513 CD GLU A 100 12.974 5.998 -10.992 1.00 10.34 C ATOM 1514 OE1 GLU A 100 12.582 4.810 -11.033 1.00 10.65 O1- ATOM 1515 OE2 GLU A 100 12.731 6.820 -11.895 1.00 10.86 O ATOM 0 H GLU A 100 14.418 5.121 -7.353 1.00 7.31 H new ATOM 0 HA GLU A 100 14.212 8.016 -7.494 1.00 7.41 H new ATOM 0 HB2 GLU A 100 12.288 5.830 -8.380 1.00 8.22 H new ATOM 0 HB3 GLU A 100 12.194 7.525 -8.815 1.00 8.22 H new ATOM 0 HG2 GLU A 100 14.313 7.365 -10.043 1.00 9.47 H new ATOM 0 HG3 GLU A 100 14.510 5.699 -9.538 1.00 9.47 H new ATOM 1522 N ALA A 101 12.934 6.626 -5.042 1.00 5.34 N ATOM 1523 CA ALA A 101 12.048 6.764 -3.894 1.00 4.45 C ATOM 1524 C ALA A 101 12.333 8.049 -3.142 1.00 4.45 C ATOM 1525 O ALA A 101 11.417 8.767 -2.734 1.00 4.62 O ATOM 1526 CB ALA A 101 12.180 5.570 -2.961 1.00 3.75 C ATOM 0 H ALA A 101 13.713 5.981 -4.907 1.00 5.34 H new ATOM 0 HA ALA A 101 11.024 6.801 -4.267 1.00 4.45 H new ATOM 0 HB1 ALA A 101 11.509 5.696 -2.112 1.00 3.75 H new ATOM 0 HB2 ALA A 101 11.919 4.658 -3.498 1.00 3.75 H new ATOM 0 HB3 ALA A 101 13.207 5.499 -2.604 1.00 3.75 H new ATOM 1532 N LEU A 102 13.608 8.356 -2.995 1.00 4.73 N ATOM 1533 CA LEU A 102 14.014 9.486 -2.193 1.00 5.07 C ATOM 1534 C LEU A 102 14.014 10.778 -2.993 1.00 6.33 C ATOM 1535 O LEU A 102 14.061 10.768 -4.223 1.00 6.97 O ATOM 1536 CB LEU A 102 15.374 9.223 -1.541 1.00 4.90 C ATOM 1537 CG LEU A 102 16.500 8.780 -2.481 1.00 5.36 C ATOM 1538 CD1 LEU A 102 17.107 9.964 -3.211 1.00 6.64 C ATOM 1539 CD2 LEU A 102 17.568 8.038 -1.701 1.00 4.98 C ATOM 0 H LEU A 102 14.376 7.838 -3.421 1.00 4.73 H new ATOM 0 HA LEU A 102 13.279 9.612 -1.398 1.00 5.07 H new ATOM 0 HB2 LEU A 102 15.691 10.133 -1.031 1.00 4.90 H new ATOM 0 HB3 LEU A 102 15.245 8.457 -0.776 1.00 4.90 H new ATOM 0 HG LEU A 102 16.074 8.110 -3.228 1.00 5.36 H new ATOM 0 HD11 LEU A 102 17.903 9.616 -3.870 1.00 6.64 H new ATOM 0 HD12 LEU A 102 16.337 10.460 -3.802 1.00 6.64 H new ATOM 0 HD13 LEU A 102 17.517 10.667 -2.486 1.00 6.64 H new ATOM 0 HD21 LEU A 102 18.364 7.728 -2.378 1.00 4.98 H new ATOM 0 HD22 LEU A 102 17.980 8.694 -0.934 1.00 4.98 H new ATOM 0 HD23 LEU A 102 17.129 7.159 -1.229 1.00 4.98 H new ATOM 1551 N ILE A 103 13.942 11.880 -2.281 1.00 6.87 N ATOM 1552 CA ILE A 103 13.970 13.203 -2.875 1.00 8.18 C ATOM 1553 C ILE A 103 15.359 13.788 -2.702 1.00 8.75 C ATOM 1554 O ILE A 103 15.881 13.828 -1.590 1.00 8.67 O ATOM 1555 CB ILE A 103 12.950 14.160 -2.199 1.00 8.80 C ATOM 1556 CG1 ILE A 103 11.500 13.864 -2.616 1.00 8.52 C ATOM 1557 CG2 ILE A 103 13.292 15.614 -2.505 1.00 10.20 C ATOM 1558 CD1 ILE A 103 11.011 12.478 -2.259 1.00 8.14 C ATOM 0 H ILE A 103 13.862 11.886 -1.264 1.00 6.87 H new ATOM 0 HA ILE A 103 13.707 13.105 -3.928 1.00 8.18 H new ATOM 0 HB ILE A 103 13.024 13.988 -1.125 1.00 8.80 H new ATOM 0 HG12 ILE A 103 10.844 14.598 -2.147 1.00 8.52 H new ATOM 0 HG13 ILE A 103 11.411 14.000 -3.694 1.00 8.52 H new ATOM 0 HG21 ILE A 103 12.566 16.268 -2.022 1.00 10.20 H new ATOM 0 HG22 ILE A 103 14.290 15.840 -2.129 1.00 10.20 H new ATOM 0 HG23 ILE A 103 13.265 15.775 -3.583 1.00 10.20 H new ATOM 0 HD11 ILE A 103 9.980 12.359 -2.591 1.00 8.14 H new ATOM 0 HD12 ILE A 103 11.638 11.733 -2.749 1.00 8.14 H new ATOM 0 HD13 ILE A 103 11.062 12.341 -1.179 1.00 8.14 H new ATOM 1570 N ARG A 104 15.976 14.224 -3.778 1.00 9.50 N ATOM 1571 CA ARG A 104 17.237 14.918 -3.644 1.00 10.25 C ATOM 1572 C ARG A 104 17.049 16.409 -3.762 1.00 11.48 C ATOM 1573 O ARG A 104 16.418 16.901 -4.698 1.00 12.12 O ATOM 1574 CB ARG A 104 18.291 14.416 -4.628 1.00 10.50 C ATOM 1575 CG ARG A 104 18.897 13.088 -4.215 1.00 9.82 C ATOM 1576 CD ARG A 104 19.637 13.213 -2.893 1.00 9.98 C ATOM 1577 NE ARG A 104 20.873 13.983 -3.014 1.00 10.43 N ATOM 1578 CZ ARG A 104 21.902 13.876 -2.173 1.00 10.83 C ATOM 1579 NH1 ARG A 104 21.864 13.001 -1.177 1.00 10.83 N1+ ATOM 1580 NH2 ARG A 104 22.972 14.639 -2.334 1.00 11.42 N ATOM 0 H ARG A 104 15.636 14.114 -4.733 1.00 9.50 H new ATOM 0 HA ARG A 104 17.613 14.697 -2.645 1.00 10.25 H new ATOM 0 HB2 ARG A 104 17.840 14.313 -5.615 1.00 10.50 H new ATOM 0 HB3 ARG A 104 19.083 15.160 -4.716 1.00 10.50 H new ATOM 0 HG2 ARG A 104 18.111 12.338 -4.126 1.00 9.82 H new ATOM 0 HG3 ARG A 104 19.583 12.741 -4.988 1.00 9.82 H new ATOM 0 HD2 ARG A 104 18.986 13.689 -2.160 1.00 9.98 H new ATOM 0 HD3 ARG A 104 19.869 12.217 -2.514 1.00 9.98 H new ATOM 0 HE ARG A 104 20.953 14.642 -3.788 1.00 10.43 H new ATOM 0 HH11 ARG A 104 21.045 12.406 -1.052 1.00 10.83 H new ATOM 0 HH12 ARG A 104 22.654 12.923 -0.536 1.00 10.83 H new ATOM 0 HH21 ARG A 104 23.010 15.309 -3.102 1.00 11.42 H new ATOM 0 HH22 ARG A 104 23.759 14.556 -1.690 1.00 11.42 H new ATOM 1594 N THR A 105 17.577 17.122 -2.787 1.00 11.91 N ATOM 1595 CA THR A 105 17.511 18.561 -2.789 1.00 13.15 C ATOM 1596 C THR A 105 18.729 19.153 -2.087 1.00 13.72 C ATOM 1597 O THR A 105 19.077 18.740 -0.980 1.00 13.20 O ATOM 1598 CB THR A 105 16.202 19.066 -2.135 1.00 13.31 C ATOM 1599 OG1 THR A 105 16.215 20.493 -2.013 1.00 14.61 O ATOM 1600 CG2 THR A 105 15.987 18.434 -0.763 1.00 12.61 C ATOM 0 H THR A 105 18.058 16.721 -1.982 1.00 11.91 H new ATOM 0 HA THR A 105 17.513 18.895 -3.827 1.00 13.15 H new ATOM 0 HB THR A 105 15.378 18.770 -2.784 1.00 13.31 H new ATOM 0 HG1 THR A 105 15.379 20.794 -1.599 1.00 14.61 H new ATOM 0 HG21 THR A 105 15.059 18.809 -0.331 1.00 12.61 H new ATOM 0 HG22 THR A 105 15.926 17.351 -0.867 1.00 12.61 H new ATOM 0 HG23 THR A 105 16.821 18.690 -0.110 1.00 12.61 H new ATOM 1608 N GLY A 106 19.387 20.094 -2.756 1.00 14.84 N ATOM 1609 CA GLY A 106 20.536 20.770 -2.183 1.00 15.52 C ATOM 1610 C GLY A 106 21.605 19.811 -1.698 1.00 14.91 C ATOM 1611 O GLY A 106 22.273 19.147 -2.497 1.00 14.86 O ATOM 0 H GLY A 106 19.141 20.403 -3.696 1.00 14.84 H new ATOM 0 HA2 GLY A 106 20.966 21.439 -2.928 1.00 15.52 H new ATOM 0 HA3 GLY A 106 20.207 21.391 -1.350 1.00 15.52 H new ATOM 1615 N ALA A 107 21.747 19.719 -0.386 1.00 14.57 N ATOM 1616 CA ALA A 107 22.762 18.878 0.219 1.00 14.09 C ATOM 1617 C ALA A 107 22.140 17.797 1.085 1.00 12.88 C ATOM 1618 O ALA A 107 22.817 17.194 1.918 1.00 12.64 O ATOM 1619 CB ALA A 107 23.721 19.726 1.042 1.00 14.99 C ATOM 0 H ALA A 107 21.165 20.222 0.284 1.00 14.57 H new ATOM 0 HA ALA A 107 23.315 18.387 -0.582 1.00 14.09 H new ATOM 0 HB1 ALA A 107 24.479 19.085 1.492 1.00 14.99 H new ATOM 0 HB2 ALA A 107 24.203 20.460 0.397 1.00 14.99 H new ATOM 0 HB3 ALA A 107 23.169 20.241 1.828 1.00 14.99 H new ATOM 1625 N ARG A 108 20.854 17.546 0.895 1.00 12.19 N ATOM 1626 CA ARG A 108 20.153 16.582 1.728 1.00 11.09 C ATOM 1627 C ARG A 108 19.271 15.655 0.899 1.00 10.26 C ATOM 1628 O ARG A 108 19.174 15.790 -0.324 1.00 10.63 O ATOM 1629 CB ARG A 108 19.306 17.300 2.776 1.00 11.48 C ATOM 1630 CG ARG A 108 20.082 18.346 3.555 1.00 12.49 C ATOM 1631 CD ARG A 108 19.193 19.067 4.550 1.00 12.62 C ATOM 1632 NE ARG A 108 19.864 20.224 5.148 1.00 13.67 N ATOM 1633 CZ ARG A 108 19.422 20.882 6.222 1.00 14.22 C ATOM 1634 NH1 ARG A 108 18.351 20.462 6.882 1.00 13.92 N1+ ATOM 1635 NH2 ARG A 108 20.072 21.955 6.656 1.00 15.20 N ATOM 0 H ARG A 108 20.280 17.991 0.179 1.00 12.19 H new ATOM 0 HA ARG A 108 20.908 15.973 2.226 1.00 11.09 H new ATOM 0 HB2 ARG A 108 18.458 17.777 2.284 1.00 11.48 H new ATOM 0 HB3 ARG A 108 18.900 16.565 3.471 1.00 11.48 H new ATOM 0 HG2 ARG A 108 20.909 17.870 4.082 1.00 12.49 H new ATOM 0 HG3 ARG A 108 20.517 19.068 2.864 1.00 12.49 H new ATOM 0 HD2 ARG A 108 18.281 19.395 4.050 1.00 12.62 H new ATOM 0 HD3 ARG A 108 18.894 18.375 5.337 1.00 12.62 H new ATOM 0 HE ARG A 108 20.728 20.549 4.714 1.00 13.67 H new ATOM 0 HH11 ARG A 108 17.855 19.627 6.570 1.00 13.92 H new ATOM 0 HH12 ARG A 108 18.024 20.974 7.701 1.00 13.92 H new ATOM 0 HH21 ARG A 108 20.909 22.276 6.169 1.00 15.20 H new ATOM 0 HH22 ARG A 108 19.735 22.458 7.477 1.00 15.20 H new ATOM 1649 N THR A 109 18.637 14.709 1.571 1.00 9.26 N ATOM 1650 CA THR A 109 17.669 13.831 0.941 1.00 8.38 C ATOM 1651 C THR A 109 16.385 13.823 1.761 1.00 8.15 C ATOM 1652 O THR A 109 16.426 13.941 2.982 1.00 8.42 O ATOM 1653 CB THR A 109 18.220 12.395 0.798 1.00 7.38 C ATOM 1654 OG1 THR A 109 19.510 12.442 0.175 1.00 7.95 O ATOM 1655 CG2 THR A 109 17.287 11.529 -0.028 1.00 6.64 C ATOM 0 H THR A 109 18.779 14.529 2.565 1.00 9.26 H new ATOM 0 HA THR A 109 17.463 14.207 -0.061 1.00 8.38 H new ATOM 0 HB THR A 109 18.300 11.956 1.792 1.00 7.38 H new ATOM 0 HG1 THR A 109 20.179 12.055 0.778 1.00 7.95 H new ATOM 0 HG21 THR A 109 17.701 10.524 -0.111 1.00 6.64 H new ATOM 0 HG22 THR A 109 16.312 11.480 0.456 1.00 6.64 H new ATOM 0 HG23 THR A 109 17.177 11.960 -1.023 1.00 6.64 H new ATOM 1663 N ILE A 110 15.249 13.728 1.094 1.00 7.89 N ATOM 1664 CA ILE A 110 13.965 13.728 1.781 1.00 7.87 C ATOM 1665 C ILE A 110 13.161 12.503 1.352 1.00 6.75 C ATOM 1666 O ILE A 110 13.371 11.975 0.266 1.00 6.24 O ATOM 1667 CB ILE A 110 13.154 15.013 1.474 1.00 9.02 C ATOM 1668 CG1 ILE A 110 14.004 16.279 1.678 1.00 10.20 C ATOM 1669 CG2 ILE A 110 11.903 15.073 2.335 1.00 9.31 C ATOM 1670 CD1 ILE A 110 14.473 16.498 3.103 1.00 10.55 C ATOM 0 H ILE A 110 15.187 13.650 0.079 1.00 7.89 H new ATOM 0 HA ILE A 110 14.155 13.698 2.854 1.00 7.87 H new ATOM 0 HB ILE A 110 12.859 14.974 0.425 1.00 9.02 H new ATOM 0 HG12 ILE A 110 14.876 16.225 1.026 1.00 10.20 H new ATOM 0 HG13 ILE A 110 13.423 17.146 1.363 1.00 10.20 H new ATOM 0 HG21 ILE A 110 11.347 15.982 2.106 1.00 9.31 H new ATOM 0 HG22 ILE A 110 11.278 14.204 2.130 1.00 9.31 H new ATOM 0 HG23 ILE A 110 12.186 15.077 3.388 1.00 9.31 H new ATOM 0 HD11 ILE A 110 15.065 17.412 3.155 1.00 10.55 H new ATOM 0 HD12 ILE A 110 13.609 16.587 3.761 1.00 10.55 H new ATOM 0 HD13 ILE A 110 15.084 15.652 3.419 1.00 10.55 H new ATOM 1682 N ALA A 111 12.271 12.032 2.208 1.00 6.58 N ATOM 1683 CA ALA A 111 11.426 10.896 1.876 1.00 5.74 C ATOM 1684 C ALA A 111 9.983 11.155 2.270 1.00 6.51 C ATOM 1685 O ALA A 111 9.715 11.607 3.377 1.00 7.39 O ATOM 1686 CB ALA A 111 11.936 9.645 2.569 1.00 5.00 C ATOM 0 H ALA A 111 12.114 12.418 3.139 1.00 6.58 H new ATOM 0 HA ALA A 111 11.464 10.750 0.797 1.00 5.74 H new ATOM 0 HB1 ALA A 111 11.296 8.801 2.313 1.00 5.00 H new ATOM 0 HB2 ALA A 111 12.956 9.439 2.244 1.00 5.00 H new ATOM 0 HB3 ALA A 111 11.923 9.796 3.648 1.00 5.00 H new ATOM 1692 N MET A 112 9.059 10.880 1.364 1.00 6.37 N ATOM 1693 CA MET A 112 7.641 11.010 1.668 1.00 7.19 C ATOM 1694 C MET A 112 7.098 9.657 2.111 1.00 6.90 C ATOM 1695 O MET A 112 6.914 8.744 1.302 1.00 6.29 O ATOM 1696 CB MET A 112 6.869 11.529 0.455 1.00 7.48 C ATOM 1697 CG MET A 112 5.419 11.865 0.771 1.00 8.19 C ATOM 1698 SD MET A 112 4.557 12.637 -0.612 1.00 8.85 S ATOM 1699 CE MET A 112 4.702 11.354 -1.849 1.00 8.24 C ATOM 0 H MET A 112 9.263 10.566 0.415 1.00 6.37 H new ATOM 0 HA MET A 112 7.514 11.732 2.474 1.00 7.19 H new ATOM 0 HB2 MET A 112 7.366 12.419 0.069 1.00 7.48 H new ATOM 0 HB3 MET A 112 6.898 10.779 -0.335 1.00 7.48 H new ATOM 0 HG2 MET A 112 4.894 10.953 1.056 1.00 8.19 H new ATOM 0 HG3 MET A 112 5.386 12.533 1.631 1.00 8.19 H new ATOM 0 HE1 MET A 112 3.729 11.180 -2.308 1.00 8.24 H new ATOM 0 HE2 MET A 112 5.414 11.665 -2.614 1.00 8.24 H new ATOM 0 HE3 MET A 112 5.052 10.434 -1.380 1.00 8.24 H new ATOM 1709 N VAL A 113 6.866 9.548 3.409 1.00 7.60 N ATOM 1710 CA VAL A 113 6.553 8.283 4.048 1.00 7.75 C ATOM 1711 C VAL A 113 5.056 7.981 4.040 1.00 8.59 C ATOM 1712 O VAL A 113 4.226 8.837 4.350 1.00 9.48 O ATOM 1713 CB VAL A 113 7.083 8.277 5.500 1.00 8.42 C ATOM 1714 CG1 VAL A 113 6.484 9.415 6.312 1.00 9.69 C ATOM 1715 CG2 VAL A 113 6.824 6.938 6.167 1.00 8.72 C ATOM 0 H VAL A 113 6.890 10.340 4.051 1.00 7.60 H new ATOM 0 HA VAL A 113 7.046 7.500 3.471 1.00 7.75 H new ATOM 0 HB VAL A 113 8.161 8.431 5.460 1.00 8.42 H new ATOM 0 HG11 VAL A 113 6.877 9.383 7.328 1.00 9.69 H new ATOM 0 HG12 VAL A 113 6.746 10.368 5.852 1.00 9.69 H new ATOM 0 HG13 VAL A 113 5.399 9.311 6.339 1.00 9.69 H new ATOM 0 HG21 VAL A 113 7.206 6.960 7.188 1.00 8.72 H new ATOM 0 HG22 VAL A 113 5.752 6.742 6.185 1.00 8.72 H new ATOM 0 HG23 VAL A 113 7.328 6.149 5.608 1.00 8.72 H new ATOM 1725 N ALA A 114 4.731 6.747 3.678 1.00 8.43 N ATOM 1726 CA ALA A 114 3.362 6.264 3.694 1.00 9.31 C ATOM 1727 C ALA A 114 2.987 5.801 5.094 1.00 10.44 C ATOM 1728 O ALA A 114 3.224 4.649 5.464 1.00 10.70 O ATOM 1729 CB ALA A 114 3.190 5.129 2.693 1.00 8.96 C ATOM 0 H ALA A 114 5.411 6.054 3.365 1.00 8.43 H new ATOM 0 HA ALA A 114 2.698 7.080 3.407 1.00 9.31 H new ATOM 0 HB1 ALA A 114 2.159 4.777 2.716 1.00 8.96 H new ATOM 0 HB2 ALA A 114 3.429 5.488 1.692 1.00 8.96 H new ATOM 0 HB3 ALA A 114 3.859 4.309 2.954 1.00 8.96 H new ATOM 1735 N LYS A 115 2.415 6.704 5.870 1.00 11.26 N ATOM 1736 CA LYS A 115 2.056 6.403 7.244 1.00 12.43 C ATOM 1737 C LYS A 115 0.679 5.771 7.329 1.00 13.26 C ATOM 1738 O LYS A 115 -0.205 6.059 6.520 1.00 13.19 O ATOM 1739 CB LYS A 115 2.067 7.670 8.092 1.00 13.13 C ATOM 1740 CG LYS A 115 3.410 8.369 8.150 1.00 13.19 C ATOM 1741 CD LYS A 115 3.437 9.400 9.263 1.00 14.08 C ATOM 1742 CE LYS A 115 2.441 10.518 9.025 1.00 14.36 C ATOM 1743 NZ LYS A 115 2.340 11.423 10.199 1.00 14.88 N1+ ATOM 0 H LYS A 115 2.189 7.653 5.572 1.00 11.26 H new ATOM 0 HA LYS A 115 2.796 5.698 7.623 1.00 12.43 H new ATOM 0 HB2 LYS A 115 1.326 8.364 7.697 1.00 13.13 H new ATOM 0 HB3 LYS A 115 1.758 7.417 9.106 1.00 13.13 H new ATOM 0 HG2 LYS A 115 4.200 7.635 8.310 1.00 13.19 H new ATOM 0 HG3 LYS A 115 3.614 8.854 7.195 1.00 13.19 H new ATOM 0 HD2 LYS A 115 3.216 8.914 10.213 1.00 14.08 H new ATOM 0 HD3 LYS A 115 4.440 9.819 9.345 1.00 14.08 H new ATOM 0 HE2 LYS A 115 2.741 11.092 8.148 1.00 14.36 H new ATOM 0 HE3 LYS A 115 1.461 10.092 8.808 1.00 14.36 H new ATOM 0 HZ1 LYS A 115 1.688 12.203 9.981 1.00 14.88 H new ATOM 0 HZ2 LYS A 115 1.981 10.891 11.018 1.00 14.88 H new ATOM 0 HZ3 LYS A 115 3.280 11.809 10.422 1.00 14.88 H new ATOM 1757 N GLY A 116 0.497 4.927 8.336 1.00 14.15 N ATOM 1758 CA GLY A 116 -0.809 4.371 8.617 1.00 15.10 C ATOM 1759 C GLY A 116 -1.685 5.372 9.339 1.00 16.02 C ATOM 1760 O GLY A 116 -2.840 5.091 9.662 1.00 16.92 O ATOM 0 H GLY A 116 1.237 4.617 8.966 1.00 14.15 H new ATOM 0 HA2 GLY A 116 -1.288 4.070 7.685 1.00 15.10 H new ATOM 0 HA3 GLY A 116 -0.702 3.472 9.225 1.00 15.10 H new ATOM 1764 N GLU A 117 -1.129 6.557 9.584 1.00 15.88 N ATOM 1765 CA GLU A 117 -1.862 7.640 10.221 1.00 16.82 C ATOM 1766 C GLU A 117 -2.805 8.314 9.231 1.00 16.56 C ATOM 1767 O GLU A 117 -3.542 9.239 9.576 1.00 17.25 O ATOM 1768 CB GLU A 117 -0.910 8.678 10.807 1.00 17.04 C ATOM 1769 CG GLU A 117 -0.029 8.132 11.910 1.00 17.42 C ATOM 1770 CD GLU A 117 0.725 9.225 12.637 1.00 17.95 C ATOM 1771 OE1 GLU A 117 1.815 9.615 12.172 1.00 17.82 O1- ATOM 1772 OE2 GLU A 117 0.241 9.690 13.688 1.00 18.56 O ATOM 0 H GLU A 117 -0.164 6.789 9.347 1.00 15.88 H new ATOM 0 HA GLU A 117 -2.448 7.205 11.030 1.00 16.82 H new ATOM 0 HB2 GLU A 117 -0.279 9.072 10.010 1.00 17.04 H new ATOM 0 HB3 GLU A 117 -1.491 9.514 11.197 1.00 17.04 H new ATOM 0 HG2 GLU A 117 -0.642 7.581 12.623 1.00 17.42 H new ATOM 0 HG3 GLU A 117 0.682 7.423 11.486 1.00 17.42 H new ATOM 1779 N GLY A 118 -2.766 7.831 7.998 1.00 15.62 N ATOM 1780 CA GLY A 118 -3.668 8.314 6.971 1.00 15.41 C ATOM 1781 C GLY A 118 -3.040 9.359 6.076 1.00 14.71 C ATOM 1782 O GLY A 118 -3.623 9.731 5.054 1.00 14.71 O ATOM 0 H GLY A 118 -2.119 7.106 7.688 1.00 15.62 H new ATOM 0 HA2 GLY A 118 -3.999 7.473 6.361 1.00 15.41 H new ATOM 0 HA3 GLY A 118 -4.556 8.734 7.443 1.00 15.41 H new ATOM 1786 N GLY A 119 -1.848 9.821 6.436 1.00 14.19 N ATOM 1787 CA GLY A 119 -1.232 10.894 5.699 1.00 13.68 C ATOM 1788 C GLY A 119 0.183 10.570 5.292 1.00 12.53 C ATOM 1789 O GLY A 119 0.822 9.692 5.877 1.00 12.20 O ATOM 0 H GLY A 119 -1.303 9.469 7.223 1.00 14.19 H new ATOM 0 HA2 GLY A 119 -1.824 11.107 4.809 1.00 13.68 H new ATOM 0 HA3 GLY A 119 -1.235 11.798 6.308 1.00 13.68 H new ATOM 1793 N PHE A 120 0.667 11.274 4.289 1.00 12.03 N ATOM 1794 CA PHE A 120 2.009 11.071 3.777 1.00 10.94 C ATOM 1795 C PHE A 120 2.877 12.266 4.147 1.00 11.32 C ATOM 1796 O PHE A 120 2.563 13.399 3.784 1.00 11.97 O ATOM 1797 CB PHE A 120 1.948 10.904 2.262 1.00 10.11 C ATOM 1798 CG PHE A 120 1.102 9.742 1.827 1.00 9.82 C ATOM 1799 CD1 PHE A 120 1.654 8.481 1.698 1.00 9.56 C ATOM 1800 CD2 PHE A 120 -0.247 9.910 1.561 1.00 9.99 C ATOM 1801 CE1 PHE A 120 0.877 7.409 1.312 1.00 9.49 C ATOM 1802 CE2 PHE A 120 -1.029 8.840 1.176 1.00 9.89 C ATOM 1803 CZ PHE A 120 -0.467 7.586 1.051 1.00 9.66 C ATOM 0 H PHE A 120 0.142 12.003 3.805 1.00 12.03 H new ATOM 0 HA PHE A 120 2.444 10.173 4.215 1.00 10.94 H new ATOM 0 HB2 PHE A 120 1.554 11.818 1.818 1.00 10.11 H new ATOM 0 HB3 PHE A 120 2.959 10.773 1.877 1.00 10.11 H new ATOM 0 HD1 PHE A 120 2.704 8.334 1.902 1.00 9.56 H new ATOM 0 HD2 PHE A 120 -0.692 10.890 1.656 1.00 9.99 H new ATOM 0 HE1 PHE A 120 1.321 6.429 1.214 1.00 9.49 H new ATOM 0 HE2 PHE A 120 -2.080 8.984 0.973 1.00 9.89 H new ATOM 0 HZ PHE A 120 -1.076 6.746 0.750 1.00 9.66 H new ATOM 1813 N ASP A 121 3.960 12.027 4.875 1.00 11.05 N ATOM 1814 CA ASP A 121 4.782 13.128 5.365 1.00 11.56 C ATOM 1815 C ASP A 121 6.214 13.005 4.889 1.00 10.58 C ATOM 1816 O ASP A 121 6.696 11.909 4.638 1.00 9.55 O ATOM 1817 CB ASP A 121 4.746 13.211 6.894 1.00 12.35 C ATOM 1818 CG ASP A 121 3.599 14.056 7.404 1.00 13.39 C ATOM 1819 OD1 ASP A 121 3.615 15.285 7.188 1.00 13.79 O ATOM 1820 OD2 ASP A 121 2.671 13.498 8.029 1.00 13.91 O1- ATOM 0 H ASP A 121 4.287 11.097 5.137 1.00 11.05 H new ATOM 0 HA ASP A 121 4.361 14.046 4.956 1.00 11.56 H new ATOM 0 HB2 ASP A 121 4.663 12.206 7.307 1.00 12.35 H new ATOM 0 HB3 ASP A 121 5.687 13.627 7.254 1.00 12.35 H new ATOM 1825 N PRO A 122 6.912 14.131 4.740 1.00 10.99 N ATOM 1826 CA PRO A 122 8.310 14.134 4.349 1.00 10.31 C ATOM 1827 C PRO A 122 9.251 14.049 5.549 1.00 10.40 C ATOM 1828 O PRO A 122 9.044 14.695 6.579 1.00 11.44 O ATOM 1829 CB PRO A 122 8.447 15.478 3.644 1.00 11.13 C ATOM 1830 CG PRO A 122 7.475 16.377 4.334 1.00 12.35 C ATOM 1831 CD PRO A 122 6.391 15.499 4.909 1.00 12.29 C ATOM 0 HA PRO A 122 8.578 13.276 3.732 1.00 10.31 H new ATOM 0 HB2 PRO A 122 9.464 15.863 3.722 1.00 11.13 H new ATOM 0 HB3 PRO A 122 8.219 15.391 2.582 1.00 11.13 H new ATOM 0 HG2 PRO A 122 7.969 16.946 5.122 1.00 12.35 H new ATOM 0 HG3 PRO A 122 7.055 17.100 3.634 1.00 12.35 H new ATOM 0 HD2 PRO A 122 6.206 15.729 5.958 1.00 12.29 H new ATOM 0 HD3 PRO A 122 5.447 15.634 4.382 1.00 12.29 H new ATOM 1839 N VAL A 123 10.265 13.217 5.413 1.00 9.36 N ATOM 1840 CA VAL A 123 11.288 13.078 6.429 1.00 9.43 C ATOM 1841 C VAL A 123 12.651 13.350 5.807 1.00 9.05 C ATOM 1842 O VAL A 123 12.912 12.949 4.672 1.00 8.18 O ATOM 1843 CB VAL A 123 11.260 11.662 7.075 1.00 8.79 C ATOM 1844 CG1 VAL A 123 12.353 10.760 6.524 1.00 7.90 C ATOM 1845 CG2 VAL A 123 11.358 11.767 8.588 1.00 9.39 C ATOM 0 H VAL A 123 10.402 12.620 4.597 1.00 9.36 H new ATOM 0 HA VAL A 123 11.093 13.801 7.221 1.00 9.43 H new ATOM 0 HB VAL A 123 10.306 11.203 6.815 1.00 8.79 H new ATOM 0 HG11 VAL A 123 12.295 9.783 7.004 1.00 7.90 H new ATOM 0 HG12 VAL A 123 12.222 10.645 5.448 1.00 7.90 H new ATOM 0 HG13 VAL A 123 13.328 11.205 6.725 1.00 7.90 H new ATOM 0 HG21 VAL A 123 11.337 10.768 9.024 1.00 9.39 H new ATOM 0 HG22 VAL A 123 12.291 12.262 8.859 1.00 9.39 H new ATOM 0 HG23 VAL A 123 10.517 12.346 8.968 1.00 9.39 H new ATOM 1855 N GLU A 124 13.492 14.072 6.521 1.00 9.85 N ATOM 1856 CA GLU A 124 14.850 14.317 6.073 1.00 9.72 C ATOM 1857 C GLU A 124 15.715 13.091 6.347 1.00 8.90 C ATOM 1858 O GLU A 124 15.700 12.538 7.449 1.00 9.21 O ATOM 1859 CB GLU A 124 15.434 15.537 6.775 1.00 10.96 C ATOM 1860 CG GLU A 124 16.807 15.922 6.257 1.00 11.07 C ATOM 1861 CD GLU A 124 17.415 17.070 7.025 1.00 12.34 C ATOM 1862 OE1 GLU A 124 17.001 18.226 6.800 1.00 12.83 O ATOM 1863 OE2 GLU A 124 18.308 16.822 7.857 1.00 12.93 O1- ATOM 0 H GLU A 124 13.258 14.501 7.417 1.00 9.85 H new ATOM 0 HA GLU A 124 14.834 14.511 5.001 1.00 9.72 H new ATOM 0 HB2 GLU A 124 14.755 16.381 6.649 1.00 10.96 H new ATOM 0 HB3 GLU A 124 15.499 15.337 7.844 1.00 10.96 H new ATOM 0 HG2 GLU A 124 17.469 15.058 6.317 1.00 11.07 H new ATOM 0 HG3 GLU A 124 16.731 16.193 5.204 1.00 11.07 H new ATOM 1870 N VAL A 125 16.449 12.666 5.333 1.00 8.03 N ATOM 1871 CA VAL A 125 17.247 11.451 5.407 1.00 7.30 C ATOM 1872 C VAL A 125 18.588 11.629 4.701 1.00 7.38 C ATOM 1873 O VAL A 125 18.755 12.509 3.856 1.00 7.84 O ATOM 1874 CB VAL A 125 16.468 10.238 4.807 1.00 6.19 C ATOM 1875 CG1 VAL A 125 15.249 10.698 4.037 1.00 6.15 C ATOM 1876 CG2 VAL A 125 17.321 9.390 3.903 1.00 5.62 C ATOM 0 H VAL A 125 16.510 13.150 4.437 1.00 8.03 H new ATOM 0 HA VAL A 125 17.444 11.246 6.459 1.00 7.30 H new ATOM 0 HB VAL A 125 16.162 9.631 5.659 1.00 6.19 H new ATOM 0 HG11 VAL A 125 14.727 9.832 3.631 1.00 6.15 H new ATOM 0 HG12 VAL A 125 14.582 11.244 4.704 1.00 6.15 H new ATOM 0 HG13 VAL A 125 15.559 11.350 3.221 1.00 6.15 H new ATOM 0 HG21 VAL A 125 16.728 8.562 3.515 1.00 5.62 H new ATOM 0 HG22 VAL A 125 17.686 9.996 3.073 1.00 5.62 H new ATOM 0 HG23 VAL A 125 18.168 8.997 4.465 1.00 5.62 H new ATOM 1886 N LYS A 126 19.544 10.795 5.071 1.00 7.21 N ATOM 1887 CA LYS A 126 20.833 10.770 4.420 1.00 7.44 C ATOM 1888 C LYS A 126 20.889 9.622 3.430 1.00 6.77 C ATOM 1889 O LYS A 126 20.606 8.479 3.782 1.00 6.29 O ATOM 1890 CB LYS A 126 21.960 10.632 5.430 1.00 8.03 C ATOM 1891 CG LYS A 126 23.329 10.547 4.779 1.00 8.46 C ATOM 1892 CD LYS A 126 24.424 10.267 5.786 1.00 9.06 C ATOM 1893 CE LYS A 126 24.634 11.426 6.749 1.00 9.72 C ATOM 1894 NZ LYS A 126 25.169 12.634 6.065 1.00 10.39 N1+ ATOM 0 H LYS A 126 19.445 10.120 5.829 1.00 7.21 H new ATOM 0 HA LYS A 126 20.963 11.715 3.893 1.00 7.44 H new ATOM 0 HB2 LYS A 126 21.939 11.484 6.110 1.00 8.03 H new ATOM 0 HB3 LYS A 126 21.794 9.739 6.033 1.00 8.03 H new ATOM 0 HG2 LYS A 126 23.322 9.761 4.024 1.00 8.46 H new ATOM 0 HG3 LYS A 126 23.543 11.483 4.263 1.00 8.46 H new ATOM 0 HD2 LYS A 126 24.174 9.369 6.351 1.00 9.06 H new ATOM 0 HD3 LYS A 126 25.356 10.063 5.259 1.00 9.06 H new ATOM 0 HE2 LYS A 126 23.688 11.672 7.231 1.00 9.72 H new ATOM 0 HE3 LYS A 126 25.323 11.121 7.537 1.00 9.72 H new ATOM 0 HZ1 LYS A 126 25.487 13.323 6.776 1.00 10.39 H new ATOM 0 HZ2 LYS A 126 25.972 12.364 5.461 1.00 10.39 H new ATOM 0 HZ3 LYS A 126 24.423 13.060 5.479 1.00 10.39 H new ATOM 1908 N ALA A 127 21.275 9.919 2.210 1.00 7.04 N ATOM 1909 CA ALA A 127 21.295 8.918 1.162 1.00 6.78 C ATOM 1910 C ALA A 127 22.509 9.072 0.264 1.00 7.69 C ATOM 1911 O ALA A 127 22.572 10.004 -0.535 1.00 8.30 O ATOM 1912 CB ALA A 127 20.029 9.019 0.333 1.00 6.34 C ATOM 0 H ALA A 127 21.580 10.847 1.916 1.00 7.04 H new ATOM 0 HA ALA A 127 21.351 7.938 1.636 1.00 6.78 H new ATOM 0 HB1 ALA A 127 20.048 8.265 -0.454 1.00 6.34 H new ATOM 0 HB2 ALA A 127 19.161 8.855 0.972 1.00 6.34 H new ATOM 0 HB3 ALA A 127 19.966 10.010 -0.116 1.00 6.34 H new ATOM 1918 N GLY A 128 23.491 8.196 0.400 1.00 8.00 N ATOM 1919 CA GLY A 128 24.546 8.185 -0.589 1.00 8.94 C ATOM 1920 C GLY A 128 25.222 6.844 -0.749 1.00 9.46 C ATOM 1921 O GLY A 128 26.354 6.650 -0.306 1.00 10.10 O ATOM 0 H GLY A 128 23.577 7.512 1.152 1.00 8.00 H new ATOM 0 HA2 GLY A 128 24.132 8.489 -1.550 1.00 8.94 H new ATOM 0 HA3 GLY A 128 25.295 8.928 -0.315 1.00 8.94 H new ATOM 1925 N ALA A 129 24.515 5.908 -1.356 1.00 9.37 N ATOM 1926 CA ALA A 129 25.121 4.800 -2.064 1.00 10.27 C ATOM 1927 C ALA A 129 24.204 4.404 -3.211 1.00 10.12 C ATOM 1928 O ALA A 129 23.028 4.781 -3.210 1.00 9.18 O ATOM 1929 CB ALA A 129 25.424 3.638 -1.146 1.00 10.61 C ATOM 0 H ALA A 129 23.495 5.897 -1.370 1.00 9.37 H new ATOM 0 HA ALA A 129 26.086 5.110 -2.466 1.00 10.27 H new ATOM 0 HB1 ALA A 129 25.877 2.830 -1.720 1.00 10.61 H new ATOM 0 HB2 ALA A 129 26.114 3.961 -0.366 1.00 10.61 H new ATOM 0 HB3 ALA A 129 24.500 3.284 -0.689 1.00 10.61 H new ATOM 1935 N THR A 130 24.707 3.667 -4.178 1.00 11.12 N ATOM 1936 CA THR A 130 23.855 3.149 -5.235 1.00 11.19 C ATOM 1937 C THR A 130 24.257 1.724 -5.575 1.00 12.15 C ATOM 1938 O THR A 130 25.440 1.420 -5.732 1.00 13.17 O ATOM 1939 CB THR A 130 23.919 4.026 -6.495 1.00 11.72 C ATOM 1940 OG1 THR A 130 23.728 5.404 -6.141 1.00 11.18 O ATOM 1941 CG2 THR A 130 22.863 3.613 -7.512 1.00 11.68 C ATOM 0 H THR A 130 25.692 3.413 -4.257 1.00 11.12 H new ATOM 0 HA THR A 130 22.828 3.161 -4.871 1.00 11.19 H new ATOM 0 HB THR A 130 24.902 3.892 -6.947 1.00 11.72 H new ATOM 0 HG1 THR A 130 23.771 5.958 -6.948 1.00 11.18 H new ATOM 0 HG21 THR A 130 22.935 4.253 -8.392 1.00 11.68 H new ATOM 0 HG22 THR A 130 23.025 2.575 -7.804 1.00 11.68 H new ATOM 0 HG23 THR A 130 21.872 3.715 -7.069 1.00 11.68 H new ATOM 1949 N ALA A 131 23.273 0.849 -5.662 1.00 11.92 N ATOM 1950 CA ALA A 131 23.531 -0.553 -5.901 1.00 12.91 C ATOM 1951 C ALA A 131 22.513 -1.150 -6.860 1.00 12.98 C ATOM 1952 O ALA A 131 21.389 -1.470 -6.468 1.00 12.19 O ATOM 1953 CB ALA A 131 23.537 -1.310 -4.585 1.00 12.87 C ATOM 0 H ALA A 131 22.286 1.088 -5.570 1.00 11.92 H new ATOM 0 HA ALA A 131 24.512 -0.645 -6.368 1.00 12.91 H new ATOM 0 HB1 ALA A 131 23.732 -2.366 -4.773 1.00 12.87 H new ATOM 0 HB2 ALA A 131 24.315 -0.907 -3.937 1.00 12.87 H new ATOM 0 HB3 ALA A 131 22.568 -1.201 -4.098 1.00 12.87 H new ATOM 1959 N GLY A 132 22.905 -1.279 -8.120 1.00 14.01 N ATOM 1960 CA GLY A 132 22.046 -1.896 -9.112 1.00 14.34 C ATOM 1961 C GLY A 132 20.822 -1.060 -9.416 1.00 13.47 C ATOM 1962 O GLY A 132 19.717 -1.588 -9.566 1.00 13.23 O ATOM 0 H GLY A 132 23.808 -0.965 -8.475 1.00 14.01 H new ATOM 0 HA2 GLY A 132 22.612 -2.054 -10.030 1.00 14.34 H new ATOM 0 HA3 GLY A 132 21.733 -2.878 -8.757 1.00 14.34 H new ATOM 1966 N GLY A 133 21.015 0.248 -9.490 1.00 13.12 N ATOM 1967 CA GLY A 133 19.917 1.150 -9.769 1.00 12.40 C ATOM 1968 C GLY A 133 19.097 1.454 -8.531 1.00 10.98 C ATOM 1969 O GLY A 133 18.106 2.181 -8.598 1.00 10.30 O ATOM 0 H GLY A 133 21.919 0.703 -9.361 1.00 13.12 H new ATOM 0 HA2 GLY A 133 20.309 2.080 -10.181 1.00 12.40 H new ATOM 0 HA3 GLY A 133 19.273 0.711 -10.531 1.00 12.40 H new ATOM 1973 N GLN A 134 19.510 0.901 -7.400 1.00 10.62 N ATOM 1974 CA GLN A 134 18.822 1.143 -6.146 1.00 9.33 C ATOM 1975 C GLN A 134 19.698 2.036 -5.296 1.00 8.96 C ATOM 1976 O GLN A 134 20.888 2.165 -5.572 1.00 9.81 O ATOM 1977 CB GLN A 134 18.519 -0.167 -5.409 1.00 9.38 C ATOM 1978 CG GLN A 134 17.832 -1.225 -6.267 1.00 9.89 C ATOM 1979 CD GLN A 134 16.478 -0.789 -6.801 1.00 10.08 C ATOM 1980 OE1 GLN A 134 16.374 -0.235 -7.894 1.00 10.39 O ATOM 1981 NE2 GLN A 134 15.430 -1.049 -6.039 1.00 10.17 N ATOM 0 H GLN A 134 20.318 0.282 -7.328 1.00 10.62 H new ATOM 0 HA GLN A 134 17.865 1.625 -6.345 1.00 9.33 H new ATOM 0 HB2 GLN A 134 19.452 -0.578 -5.024 1.00 9.38 H new ATOM 0 HB3 GLN A 134 17.888 0.052 -4.548 1.00 9.38 H new ATOM 0 HG2 GLN A 134 18.480 -1.477 -7.106 1.00 9.89 H new ATOM 0 HG3 GLN A 134 17.706 -2.133 -5.677 1.00 9.89 H new ATOM 0 HE21 GLN A 134 15.556 -1.510 -5.138 1.00 10.17 H new ATOM 0 HE22 GLN A 134 14.495 -0.788 -6.352 1.00 10.17 H new ATOM 1990 N SER A 135 19.149 2.636 -4.271 1.00 7.82 N ATOM 1991 CA SER A 135 19.920 3.556 -3.472 1.00 7.56 C ATOM 1992 C SER A 135 20.058 3.058 -2.046 1.00 7.12 C ATOM 1993 O SER A 135 19.310 2.181 -1.606 1.00 6.78 O ATOM 1994 CB SER A 135 19.311 4.957 -3.512 1.00 6.91 C ATOM 1995 OG SER A 135 17.924 4.915 -3.222 1.00 6.85 O ATOM 0 H SER A 135 18.182 2.507 -3.972 1.00 7.82 H new ATOM 0 HA SER A 135 20.921 3.615 -3.900 1.00 7.56 H new ATOM 0 HB2 SER A 135 19.818 5.599 -2.791 1.00 6.91 H new ATOM 0 HB3 SER A 135 19.467 5.398 -4.497 1.00 6.91 H new ATOM 0 HG SER A 135 17.556 5.823 -3.252 1.00 6.85 H new ATOM 2001 N GLU A 136 21.021 3.606 -1.337 1.00 7.39 N ATOM 2002 CA GLU A 136 21.211 3.275 0.066 1.00 7.25 C ATOM 2003 C GLU A 136 20.912 4.467 0.959 1.00 6.42 C ATOM 2004 O GLU A 136 21.471 5.554 0.795 1.00 6.54 O ATOM 2005 CB GLU A 136 22.636 2.806 0.304 1.00 8.31 C ATOM 2006 CG GLU A 136 22.911 1.422 -0.259 1.00 9.31 C ATOM 2007 CD GLU A 136 24.222 0.838 0.229 1.00 10.29 C ATOM 2008 OE1 GLU A 136 24.387 0.673 1.455 1.00 10.69 O ATOM 2009 OE2 GLU A 136 25.088 0.523 -0.610 1.00 10.79 O1- ATOM 0 H GLU A 136 21.687 4.284 -1.706 1.00 7.39 H new ATOM 0 HA GLU A 136 20.516 2.474 0.317 1.00 7.25 H new ATOM 0 HB2 GLU A 136 23.327 3.519 -0.147 1.00 8.31 H new ATOM 0 HB3 GLU A 136 22.836 2.802 1.375 1.00 8.31 H new ATOM 0 HG2 GLU A 136 22.096 0.754 0.018 1.00 9.31 H new ATOM 0 HG3 GLU A 136 22.925 1.474 -1.348 1.00 9.31 H new ATOM 2016 N ILE A 137 19.999 4.251 1.885 1.00 5.86 N ATOM 2017 CA ILE A 137 19.687 5.225 2.907 1.00 5.49 C ATOM 2018 C ILE A 137 20.608 5.020 4.093 1.00 6.25 C ATOM 2019 O ILE A 137 20.491 4.037 4.831 1.00 6.73 O ATOM 2020 CB ILE A 137 18.214 5.124 3.358 1.00 4.93 C ATOM 2021 CG1 ILE A 137 17.282 5.549 2.227 1.00 4.16 C ATOM 2022 CG2 ILE A 137 17.961 5.960 4.605 1.00 5.24 C ATOM 2023 CD1 ILE A 137 17.597 6.919 1.671 1.00 4.21 C ATOM 0 H ILE A 137 19.452 3.392 1.948 1.00 5.86 H new ATOM 0 HA ILE A 137 19.836 6.220 2.488 1.00 5.49 H new ATOM 0 HB ILE A 137 18.008 4.083 3.608 1.00 4.93 H new ATOM 0 HG12 ILE A 137 17.342 4.816 1.422 1.00 4.16 H new ATOM 0 HG13 ILE A 137 16.254 5.540 2.590 1.00 4.16 H new ATOM 0 HG21 ILE A 137 16.915 5.869 4.898 1.00 5.24 H new ATOM 0 HG22 ILE A 137 18.598 5.606 5.416 1.00 5.24 H new ATOM 0 HG23 ILE A 137 18.189 7.005 4.395 1.00 5.24 H new ATOM 0 HD11 ILE A 137 16.896 7.157 0.871 1.00 4.21 H new ATOM 0 HD12 ILE A 137 17.509 7.662 2.463 1.00 4.21 H new ATOM 0 HD13 ILE A 137 18.613 6.927 1.277 1.00 4.21 H new ATOM 2035 N LEU A 138 21.542 5.941 4.240 1.00 6.60 N ATOM 2036 CA LEU A 138 22.535 5.884 5.295 1.00 7.40 C ATOM 2037 C LEU A 138 21.888 6.211 6.631 1.00 7.59 C ATOM 2038 O LEU A 138 22.036 5.475 7.606 1.00 8.21 O ATOM 2039 CB LEU A 138 23.672 6.869 4.996 1.00 7.87 C ATOM 2040 CG LEU A 138 24.718 6.427 3.952 1.00 8.31 C ATOM 2041 CD1 LEU A 138 24.085 5.701 2.774 1.00 7.93 C ATOM 2042 CD2 LEU A 138 25.481 7.637 3.446 1.00 8.79 C ATOM 0 H LEU A 138 21.633 6.752 3.629 1.00 6.60 H new ATOM 0 HA LEU A 138 22.950 4.877 5.344 1.00 7.40 H new ATOM 0 HB2 LEU A 138 23.230 7.806 4.658 1.00 7.87 H new ATOM 0 HB3 LEU A 138 24.193 7.081 5.930 1.00 7.87 H new ATOM 0 HG LEU A 138 25.396 5.731 4.446 1.00 8.31 H new ATOM 0 HD11 LEU A 138 24.861 5.410 2.066 1.00 7.93 H new ATOM 0 HD12 LEU A 138 23.567 4.811 3.131 1.00 7.93 H new ATOM 0 HD13 LEU A 138 23.373 6.362 2.280 1.00 7.93 H new ATOM 0 HD21 LEU A 138 26.219 7.320 2.709 1.00 8.79 H new ATOM 0 HD22 LEU A 138 24.786 8.339 2.985 1.00 8.79 H new ATOM 0 HD23 LEU A 138 25.987 8.123 4.280 1.00 8.79 H new ATOM 2054 N GLU A 139 21.153 7.306 6.663 1.00 7.31 N ATOM 2055 CA GLU A 139 20.498 7.742 7.875 1.00 7.84 C ATOM 2056 C GLU A 139 19.147 8.308 7.526 1.00 7.45 C ATOM 2057 O GLU A 139 18.873 8.565 6.363 1.00 6.77 O ATOM 2058 CB GLU A 139 21.338 8.795 8.598 1.00 8.66 C ATOM 2059 CG GLU A 139 22.614 8.238 9.196 1.00 9.21 C ATOM 2060 CD GLU A 139 23.443 9.290 9.894 1.00 9.98 C ATOM 2061 OE1 GLU A 139 23.017 9.769 10.966 1.00 10.44 O ATOM 2062 OE2 GLU A 139 24.532 9.632 9.389 1.00 10.28 O1- ATOM 0 H GLU A 139 20.996 7.911 5.857 1.00 7.31 H new ATOM 0 HA GLU A 139 20.380 6.889 8.543 1.00 7.84 H new ATOM 0 HB2 GLU A 139 21.591 9.591 7.898 1.00 8.66 H new ATOM 0 HB3 GLU A 139 20.740 9.245 9.390 1.00 8.66 H new ATOM 0 HG2 GLU A 139 22.363 7.450 9.906 1.00 9.21 H new ATOM 0 HG3 GLU A 139 23.209 7.778 8.407 1.00 9.21 H new ATOM 2069 N GLY A 140 18.307 8.506 8.515 1.00 8.06 N ATOM 2070 CA GLY A 140 17.042 9.149 8.252 1.00 8.05 C ATOM 2071 C GLY A 140 15.841 8.252 8.470 1.00 8.05 C ATOM 2072 O GLY A 140 14.910 8.622 9.187 1.00 8.87 O ATOM 0 H GLY A 140 18.470 8.239 9.486 1.00 8.06 H new ATOM 0 HA2 GLY A 140 16.950 10.025 8.894 1.00 8.05 H new ATOM 0 HA3 GLY A 140 17.034 9.506 7.222 1.00 8.05 H new ATOM 2076 N LEU A 141 15.855 7.075 7.858 1.00 7.34 N ATOM 2077 CA LEU A 141 14.684 6.206 7.870 1.00 7.46 C ATOM 2078 C LEU A 141 14.923 4.905 8.629 1.00 8.16 C ATOM 2079 O LEU A 141 15.983 4.699 9.222 1.00 8.50 O ATOM 2080 CB LEU A 141 14.222 5.906 6.443 1.00 6.40 C ATOM 2081 CG LEU A 141 13.540 7.067 5.723 1.00 6.03 C ATOM 2082 CD1 LEU A 141 13.403 6.758 4.244 1.00 5.58 C ATOM 2083 CD2 LEU A 141 12.174 7.338 6.341 1.00 6.58 C ATOM 0 H LEU A 141 16.657 6.702 7.351 1.00 7.34 H new ATOM 0 HA LEU A 141 13.899 6.747 8.399 1.00 7.46 H new ATOM 0 HB2 LEU A 141 15.086 5.593 5.857 1.00 6.40 H new ATOM 0 HB3 LEU A 141 13.533 5.062 6.471 1.00 6.40 H new ATOM 0 HG LEU A 141 14.154 7.961 5.834 1.00 6.03 H new ATOM 0 HD11 LEU A 141 12.915 7.593 3.741 1.00 5.58 H new ATOM 0 HD12 LEU A 141 14.391 6.602 3.812 1.00 5.58 H new ATOM 0 HD13 LEU A 141 12.804 5.857 4.115 1.00 5.58 H new ATOM 0 HD21 LEU A 141 11.697 8.168 5.820 1.00 6.58 H new ATOM 0 HD22 LEU A 141 11.551 6.448 6.252 1.00 6.58 H new ATOM 0 HD23 LEU A 141 12.295 7.593 7.394 1.00 6.58 H new ATOM 2095 N LYS A 142 13.928 4.030 8.584 1.00 8.54 N ATOM 2096 CA LYS A 142 13.947 2.780 9.322 1.00 9.51 C ATOM 2097 C LYS A 142 13.122 1.742 8.583 1.00 9.48 C ATOM 2098 O LYS A 142 12.260 2.077 7.778 1.00 8.97 O ATOM 2099 CB LYS A 142 13.349 3.020 10.707 1.00 10.71 C ATOM 2100 CG LYS A 142 13.308 1.788 11.599 1.00 11.83 C ATOM 2101 CD LYS A 142 12.779 2.118 12.987 1.00 12.89 C ATOM 2102 CE LYS A 142 13.706 3.072 13.724 1.00 13.50 C ATOM 2103 NZ LYS A 142 13.231 3.363 15.100 1.00 14.15 N1+ ATOM 0 H LYS A 142 13.082 4.170 8.031 1.00 8.54 H new ATOM 0 HA LYS A 142 14.971 2.419 9.418 1.00 9.51 H new ATOM 0 HB2 LYS A 142 13.926 3.797 11.208 1.00 10.71 H new ATOM 0 HB3 LYS A 142 12.335 3.402 10.590 1.00 10.71 H new ATOM 0 HG2 LYS A 142 12.677 1.027 11.140 1.00 11.83 H new ATOM 0 HG3 LYS A 142 14.309 1.365 11.682 1.00 11.83 H new ATOM 0 HD2 LYS A 142 11.788 2.564 12.903 1.00 12.89 H new ATOM 0 HD3 LYS A 142 12.668 1.199 13.563 1.00 12.89 H new ATOM 0 HE2 LYS A 142 14.706 2.641 13.770 1.00 13.50 H new ATOM 0 HE3 LYS A 142 13.786 4.004 13.164 1.00 13.50 H new ATOM 0 HZ1 LYS A 142 13.893 4.017 15.565 1.00 14.15 H new ATOM 0 HZ2 LYS A 142 12.287 3.798 15.057 1.00 14.15 H new ATOM 0 HZ3 LYS A 142 13.179 2.478 15.644 1.00 14.15 H new ATOM 2117 N ALA A 143 13.414 0.482 8.850 1.00 10.19 N ATOM 2118 CA ALA A 143 12.690 -0.618 8.236 1.00 10.49 C ATOM 2119 C ALA A 143 11.270 -0.659 8.761 1.00 11.20 C ATOM 2120 O ALA A 143 11.050 -0.702 9.972 1.00 12.12 O ATOM 2121 CB ALA A 143 13.384 -1.936 8.496 1.00 11.37 C ATOM 0 H ALA A 143 14.152 0.193 9.492 1.00 10.19 H new ATOM 0 HA ALA A 143 12.667 -0.456 7.158 1.00 10.49 H new ATOM 0 HB1 ALA A 143 12.821 -2.742 8.026 1.00 11.37 H new ATOM 0 HB2 ALA A 143 14.391 -1.905 8.080 1.00 11.37 H new ATOM 0 HB3 ALA A 143 13.441 -2.112 9.570 1.00 11.37 H new ATOM 2127 N GLY A 144 10.320 -0.663 7.847 1.00 10.88 N ATOM 2128 CA GLY A 144 8.930 -0.503 8.220 1.00 11.54 C ATOM 2129 C GLY A 144 8.392 0.832 7.749 1.00 10.82 C ATOM 2130 O GLY A 144 7.195 1.112 7.844 1.00 11.32 O ATOM 0 H GLY A 144 10.484 -0.775 6.847 1.00 10.88 H new ATOM 0 HA2 GLY A 144 8.339 -1.310 7.788 1.00 11.54 H new ATOM 0 HA3 GLY A 144 8.829 -0.578 9.303 1.00 11.54 H new ATOM 2134 N GLN A 145 9.295 1.653 7.231 1.00 9.74 N ATOM 2135 CA GLN A 145 8.945 2.962 6.700 1.00 9.10 C ATOM 2136 C GLN A 145 8.745 2.855 5.201 1.00 8.05 C ATOM 2137 O GLN A 145 9.677 2.556 4.459 1.00 7.35 O ATOM 2138 CB GLN A 145 10.060 3.966 7.004 1.00 8.76 C ATOM 2139 CG GLN A 145 10.173 4.344 8.473 1.00 9.88 C ATOM 2140 CD GLN A 145 8.938 5.059 8.987 1.00 10.75 C ATOM 2141 OE1 GLN A 145 8.840 6.283 8.913 1.00 11.13 O ATOM 2142 NE2 GLN A 145 7.995 4.304 9.528 1.00 11.24 N ATOM 0 H GLN A 145 10.288 1.431 7.167 1.00 9.74 H new ATOM 0 HA GLN A 145 8.024 3.308 7.168 1.00 9.10 H new ATOM 0 HB2 GLN A 145 11.011 3.548 6.674 1.00 8.76 H new ATOM 0 HB3 GLN A 145 9.889 4.870 6.420 1.00 8.76 H new ATOM 0 HG2 GLN A 145 10.340 3.444 9.064 1.00 9.88 H new ATOM 0 HG3 GLN A 145 11.044 4.984 8.614 1.00 9.88 H new ATOM 0 HE21 GLN A 145 8.114 3.292 9.570 1.00 11.24 H new ATOM 0 HE22 GLN A 145 7.149 4.734 9.902 1.00 11.24 H new ATOM 2151 N GLN A 146 7.514 3.046 4.766 1.00 8.12 N ATOM 2152 CA GLN A 146 7.192 2.956 3.357 1.00 7.34 C ATOM 2153 C GLN A 146 7.436 4.278 2.674 1.00 6.41 C ATOM 2154 O GLN A 146 6.864 5.293 3.056 1.00 6.79 O ATOM 2155 CB GLN A 146 5.733 2.568 3.159 1.00 8.14 C ATOM 2156 CG GLN A 146 5.450 1.116 3.442 1.00 9.01 C ATOM 2157 CD GLN A 146 3.975 0.773 3.349 1.00 9.89 C ATOM 2158 OE1 GLN A 146 3.272 1.423 2.434 1.00 10.17 O flip ATOM 2159 NE2 GLN A 146 3.476 -0.088 4.071 1.00 10.49 N flip ATOM 0 H GLN A 146 6.721 3.264 5.369 1.00 8.12 H new ATOM 0 HA GLN A 146 7.834 2.191 2.921 1.00 7.34 H new ATOM 0 HB2 GLN A 146 5.111 3.184 3.809 1.00 8.14 H new ATOM 0 HB3 GLN A 146 5.442 2.793 2.133 1.00 8.14 H new ATOM 0 HG2 GLN A 146 6.007 0.498 2.737 1.00 9.01 H new ATOM 0 HG3 GLN A 146 5.813 0.868 4.439 1.00 9.01 H new ATOM 0 HE21 GLN A 146 4.050 -0.567 4.765 1.00 10.49 H new ATOM 0 HE22 GLN A 146 2.488 -0.323 3.976 1.00 10.49 H new ATOM 2168 N VAL A 147 8.259 4.251 1.651 1.00 5.45 N ATOM 2169 CA VAL A 147 8.566 5.451 0.894 1.00 4.76 C ATOM 2170 C VAL A 147 8.130 5.289 -0.550 1.00 4.67 C ATOM 2171 O VAL A 147 8.270 4.211 -1.132 1.00 4.76 O ATOM 2172 CB VAL A 147 10.065 5.807 0.954 1.00 3.89 C ATOM 2173 CG1 VAL A 147 10.441 6.254 2.355 1.00 4.21 C ATOM 2174 CG2 VAL A 147 10.930 4.626 0.523 1.00 3.49 C ATOM 0 H VAL A 147 8.731 3.410 1.320 1.00 5.45 H new ATOM 0 HA VAL A 147 8.013 6.272 1.351 1.00 4.76 H new ATOM 0 HB VAL A 147 10.247 6.627 0.259 1.00 3.89 H new ATOM 0 HG11 VAL A 147 11.502 6.503 2.385 1.00 4.21 H new ATOM 0 HG12 VAL A 147 9.855 7.132 2.627 1.00 4.21 H new ATOM 0 HG13 VAL A 147 10.237 5.449 3.061 1.00 4.21 H new ATOM 0 HG21 VAL A 147 11.982 4.907 0.576 1.00 3.49 H new ATOM 0 HG22 VAL A 147 10.747 3.780 1.185 1.00 3.49 H new ATOM 0 HG23 VAL A 147 10.680 4.346 -0.500 1.00 3.49 H new ATOM 2184 N VAL A 148 7.575 6.355 -1.108 1.00 4.95 N ATOM 2185 CA VAL A 148 7.054 6.328 -2.466 1.00 5.28 C ATOM 2186 C VAL A 148 8.168 6.137 -3.487 1.00 4.93 C ATOM 2187 O VAL A 148 9.090 6.941 -3.581 1.00 4.74 O ATOM 2188 CB VAL A 148 6.266 7.613 -2.801 1.00 6.08 C ATOM 2189 CG1 VAL A 148 4.985 7.675 -1.991 1.00 6.56 C ATOM 2190 CG2 VAL A 148 7.110 8.854 -2.549 1.00 6.56 C ATOM 0 H VAL A 148 7.474 7.254 -0.638 1.00 4.95 H new ATOM 0 HA VAL A 148 6.375 5.477 -2.520 1.00 5.28 H new ATOM 0 HB VAL A 148 6.011 7.585 -3.860 1.00 6.08 H new ATOM 0 HG11 VAL A 148 4.441 8.587 -2.239 1.00 6.56 H new ATOM 0 HG12 VAL A 148 4.365 6.809 -2.223 1.00 6.56 H new ATOM 0 HG13 VAL A 148 5.226 7.674 -0.928 1.00 6.56 H new ATOM 0 HG21 VAL A 148 6.530 9.744 -2.793 1.00 6.56 H new ATOM 0 HG22 VAL A 148 7.402 8.888 -1.500 1.00 6.56 H new ATOM 0 HG23 VAL A 148 8.003 8.820 -3.174 1.00 6.56 H new ATOM 2200 N VAL A 149 8.070 5.070 -4.257 1.00 5.25 N ATOM 2201 CA VAL A 149 9.087 4.755 -5.246 1.00 5.51 C ATOM 2202 C VAL A 149 8.543 5.002 -6.644 1.00 6.47 C ATOM 2203 O VAL A 149 9.242 4.836 -7.645 1.00 6.99 O ATOM 2204 CB VAL A 149 9.577 3.298 -5.094 1.00 5.65 C ATOM 2205 CG1 VAL A 149 9.794 2.984 -3.629 1.00 5.29 C ATOM 2206 CG2 VAL A 149 8.607 2.298 -5.694 1.00 6.22 C ATOM 0 H VAL A 149 7.297 4.406 -4.218 1.00 5.25 H new ATOM 0 HA VAL A 149 9.944 5.408 -5.083 1.00 5.51 H new ATOM 0 HB VAL A 149 10.516 3.210 -5.641 1.00 5.65 H new ATOM 0 HG11 VAL A 149 10.140 1.956 -3.525 1.00 5.29 H new ATOM 0 HG12 VAL A 149 10.543 3.662 -3.219 1.00 5.29 H new ATOM 0 HG13 VAL A 149 8.856 3.108 -3.087 1.00 5.29 H new ATOM 0 HG21 VAL A 149 8.997 1.289 -5.562 1.00 6.22 H new ATOM 0 HG22 VAL A 149 7.642 2.383 -5.195 1.00 6.22 H new ATOM 0 HG23 VAL A 149 8.484 2.503 -6.758 1.00 6.22 H new ATOM 2216 N SER A 150 7.283 5.415 -6.680 1.00 6.89 N ATOM 2217 CA SER A 150 6.586 5.731 -7.913 1.00 7.82 C ATOM 2218 C SER A 150 5.219 6.307 -7.571 1.00 8.09 C ATOM 2219 O SER A 150 4.380 5.637 -6.972 1.00 8.72 O ATOM 2220 CB SER A 150 6.431 4.473 -8.779 1.00 8.62 C ATOM 2221 OG SER A 150 5.801 4.770 -10.015 1.00 9.06 O ATOM 0 H SER A 150 6.713 5.540 -5.844 1.00 6.89 H new ATOM 0 HA SER A 150 7.162 6.463 -8.480 1.00 7.82 H new ATOM 0 HB2 SER A 150 7.411 4.034 -8.965 1.00 8.62 H new ATOM 0 HB3 SER A 150 5.845 3.728 -8.240 1.00 8.62 H new ATOM 0 HG SER A 150 5.718 3.950 -10.545 1.00 9.06 H new ATOM 2227 N GLY A 151 5.015 7.573 -7.918 1.00 7.84 N ATOM 2228 CA GLY A 151 3.728 8.200 -7.701 1.00 8.31 C ATOM 2229 C GLY A 151 2.635 7.498 -8.474 1.00 8.50 C ATOM 2230 O GLY A 151 1.601 7.134 -7.915 1.00 8.43 O ATOM 0 H GLY A 151 5.719 8.175 -8.346 1.00 7.84 H new ATOM 0 HA2 GLY A 151 3.490 8.186 -6.637 1.00 8.31 H new ATOM 0 HA3 GLY A 151 3.776 9.246 -8.004 1.00 8.31 H new ATOM 2234 N GLN A 152 2.878 7.296 -9.761 1.00 8.97 N ATOM 2235 CA GLN A 152 1.959 6.574 -10.625 1.00 9.41 C ATOM 2236 C GLN A 152 2.679 6.106 -11.885 1.00 9.73 C ATOM 2237 O GLN A 152 3.486 6.842 -12.451 1.00 9.97 O ATOM 2238 CB GLN A 152 0.764 7.458 -11.000 1.00 10.01 C ATOM 2239 CG GLN A 152 1.163 8.789 -11.621 1.00 10.63 C ATOM 2240 CD GLN A 152 -0.024 9.662 -11.979 1.00 11.38 C ATOM 2241 OE1 GLN A 152 -1.076 9.598 -11.342 1.00 11.71 O ATOM 2242 NE2 GLN A 152 0.140 10.497 -12.991 1.00 11.84 N ATOM 0 H GLN A 152 3.718 7.628 -10.234 1.00 8.97 H new ATOM 0 HA GLN A 152 1.590 5.703 -10.084 1.00 9.41 H new ATOM 0 HB2 GLN A 152 0.127 6.916 -11.699 1.00 10.01 H new ATOM 0 HB3 GLN A 152 0.168 7.647 -10.107 1.00 10.01 H new ATOM 0 HG2 GLN A 152 1.806 9.329 -10.926 1.00 10.63 H new ATOM 0 HG3 GLN A 152 1.752 8.601 -12.519 1.00 10.63 H new ATOM 0 HE21 GLN A 152 1.027 10.520 -13.494 1.00 11.84 H new ATOM 0 HE22 GLN A 152 -0.620 11.118 -13.268 1.00 11.84 H new ATOM 2251 N PHE A 153 2.417 4.878 -12.308 1.00 9.95 N ATOM 2252 CA PHE A 153 2.943 4.397 -13.578 1.00 10.47 C ATOM 2253 C PHE A 153 1.963 4.755 -14.687 1.00 10.93 C ATOM 2254 O PHE A 153 2.346 5.025 -15.827 1.00 11.34 O ATOM 2255 CB PHE A 153 3.175 2.882 -13.527 1.00 10.62 C ATOM 2256 CG PHE A 153 3.832 2.330 -14.760 1.00 11.04 C ATOM 2257 CD1 PHE A 153 5.124 2.705 -15.096 1.00 11.27 C ATOM 2258 CD2 PHE A 153 3.160 1.444 -15.585 1.00 11.41 C ATOM 2259 CE1 PHE A 153 5.732 2.204 -16.229 1.00 11.87 C ATOM 2260 CE2 PHE A 153 3.763 0.939 -16.720 1.00 12.02 C ATOM 2261 CZ PHE A 153 5.051 1.321 -17.044 1.00 12.24 C ATOM 0 H PHE A 153 1.849 4.202 -11.797 1.00 9.95 H new ATOM 0 HA PHE A 153 3.903 4.872 -13.777 1.00 10.47 H new ATOM 0 HB2 PHE A 153 3.793 2.647 -12.660 1.00 10.62 H new ATOM 0 HB3 PHE A 153 2.218 2.381 -13.381 1.00 10.62 H new ATOM 0 HD1 PHE A 153 5.661 3.397 -14.464 1.00 11.27 H new ATOM 0 HD2 PHE A 153 2.152 1.144 -15.338 1.00 11.41 H new ATOM 0 HE1 PHE A 153 6.740 2.502 -16.478 1.00 11.87 H new ATOM 0 HE2 PHE A 153 3.229 0.246 -17.354 1.00 12.02 H new ATOM 0 HZ PHE A 153 5.524 0.930 -17.933 1.00 12.24 H new ATOM 2271 N LEU A 154 0.692 4.782 -14.319 1.00 11.05 N ATOM 2272 CA LEU A 154 -0.377 5.155 -15.229 1.00 11.63 C ATOM 2273 C LEU A 154 -0.720 6.624 -15.007 1.00 11.39 C ATOM 2274 O LEU A 154 0.079 7.365 -14.436 1.00 11.57 O ATOM 2275 CB LEU A 154 -1.629 4.292 -14.989 1.00 12.16 C ATOM 2276 CG LEU A 154 -1.428 2.767 -14.984 1.00 12.68 C ATOM 2277 CD1 LEU A 154 -0.520 2.326 -16.121 1.00 13.16 C ATOM 2278 CD2 LEU A 154 -0.889 2.290 -13.640 1.00 13.04 C ATOM 0 H LEU A 154 0.373 4.545 -13.379 1.00 11.05 H new ATOM 0 HA LEU A 154 -0.043 4.994 -16.254 1.00 11.63 H new ATOM 0 HB2 LEU A 154 -2.063 4.581 -14.032 1.00 12.16 H new ATOM 0 HB3 LEU A 154 -2.362 4.536 -15.758 1.00 12.16 H new ATOM 0 HG LEU A 154 -2.403 2.305 -15.139 1.00 12.68 H new ATOM 0 HD11 LEU A 154 -0.398 1.243 -16.090 1.00 13.16 H new ATOM 0 HD12 LEU A 154 -0.964 2.614 -17.074 1.00 13.16 H new ATOM 0 HD13 LEU A 154 0.454 2.804 -16.015 1.00 13.16 H new ATOM 0 HD21 LEU A 154 -0.756 1.208 -13.664 1.00 13.04 H new ATOM 0 HD22 LEU A 154 0.070 2.769 -13.442 1.00 13.04 H new ATOM 0 HD23 LEU A 154 -1.595 2.551 -12.851 1.00 13.04 H new ATOM 2290 N ILE A 155 -1.894 7.043 -15.453 1.00 11.17 N ATOM 2291 CA ILE A 155 -2.365 8.396 -15.188 1.00 11.08 C ATOM 2292 C ILE A 155 -3.275 8.367 -13.954 1.00 10.31 C ATOM 2293 O ILE A 155 -2.895 7.814 -12.923 1.00 9.93 O ATOM 2294 CB ILE A 155 -3.116 8.988 -16.410 1.00 11.39 C ATOM 2295 CG1 ILE A 155 -2.398 8.622 -17.713 1.00 11.61 C ATOM 2296 CG2 ILE A 155 -3.228 10.503 -16.292 1.00 11.66 C ATOM 2297 CD1 ILE A 155 -0.995 9.182 -17.818 1.00 11.95 C ATOM 0 H ILE A 155 -2.537 6.469 -15.998 1.00 11.17 H new ATOM 0 HA ILE A 155 -1.506 9.041 -15.000 1.00 11.08 H new ATOM 0 HB ILE A 155 -4.119 8.561 -16.427 1.00 11.39 H new ATOM 0 HG12 ILE A 155 -2.353 7.536 -17.799 1.00 11.61 H new ATOM 0 HG13 ILE A 155 -2.987 8.984 -18.555 1.00 11.61 H new ATOM 0 HG21 ILE A 155 -3.758 10.897 -17.159 1.00 11.66 H new ATOM 0 HG22 ILE A 155 -3.776 10.758 -15.385 1.00 11.66 H new ATOM 0 HG23 ILE A 155 -2.230 10.939 -16.247 1.00 11.66 H new ATOM 0 HD11 ILE A 155 -0.553 8.880 -18.767 1.00 11.95 H new ATOM 0 HD12 ILE A 155 -1.033 10.270 -17.765 1.00 11.95 H new ATOM 0 HD13 ILE A 155 -0.388 8.800 -16.997 1.00 11.95 H new ATOM 2309 N ASP A 156 -4.476 8.921 -14.056 1.00 10.31 N ATOM 2310 CA ASP A 156 -5.449 8.843 -12.967 1.00 9.81 C ATOM 2311 C ASP A 156 -6.193 7.515 -13.027 1.00 9.63 C ATOM 2312 O ASP A 156 -7.351 7.411 -12.618 1.00 9.09 O ATOM 2313 CB ASP A 156 -6.447 10.002 -13.031 1.00 10.26 C ATOM 2314 CG ASP A 156 -5.839 11.330 -12.631 1.00 10.68 C ATOM 2315 OD1 ASP A 156 -5.310 12.038 -13.514 1.00 11.22 O ATOM 2316 OD2 ASP A 156 -5.894 11.684 -11.434 1.00 10.64 O1- ATOM 0 H ASP A 156 -4.802 9.429 -14.878 1.00 10.31 H new ATOM 0 HA ASP A 156 -4.907 8.913 -12.024 1.00 9.81 H new ATOM 0 HB2 ASP A 156 -6.841 10.080 -14.044 1.00 10.26 H new ATOM 0 HB3 ASP A 156 -7.291 9.784 -12.377 1.00 10.26 H new ATOM 2321 N SER A 157 -5.511 6.497 -13.532 1.00 10.26 N ATOM 2322 CA SER A 157 -6.131 5.215 -13.792 1.00 10.38 C ATOM 2323 C SER A 157 -6.428 4.457 -12.502 1.00 9.63 C ATOM 2324 O SER A 157 -7.255 3.552 -12.516 1.00 9.37 O ATOM 2325 CB SER A 157 -5.245 4.378 -14.710 1.00 11.42 C ATOM 2326 OG SER A 157 -4.769 5.158 -15.794 1.00 11.90 O ATOM 0 H SER A 157 -4.520 6.540 -13.770 1.00 10.26 H new ATOM 0 HA SER A 157 -7.084 5.402 -14.288 1.00 10.38 H new ATOM 0 HB2 SER A 157 -4.403 3.978 -14.145 1.00 11.42 H new ATOM 0 HB3 SER A 157 -5.808 3.525 -15.089 1.00 11.42 H new ATOM 0 HG SER A 157 -4.482 4.567 -16.521 1.00 11.90 H new ATOM 2332 N GLU A 158 -5.796 4.800 -11.391 1.00 9.47 N ATOM 2333 CA GLU A 158 -6.077 4.080 -10.158 1.00 9.00 C ATOM 2334 C GLU A 158 -7.502 4.385 -9.708 1.00 8.03 C ATOM 2335 O GLU A 158 -8.274 3.479 -9.369 1.00 7.69 O ATOM 2336 CB GLU A 158 -5.051 4.387 -9.055 1.00 9.38 C ATOM 2337 CG GLU A 158 -4.243 5.657 -9.265 1.00 10.19 C ATOM 2338 CD GLU A 158 -5.070 6.914 -9.132 1.00 10.79 C ATOM 2339 OE1 GLU A 158 -5.425 7.269 -7.998 1.00 11.17 O1- ATOM 2340 OE2 GLU A 158 -5.372 7.545 -10.161 1.00 11.06 O ATOM 0 H GLU A 158 -5.106 5.548 -11.315 1.00 9.47 H new ATOM 0 HA GLU A 158 -5.989 3.012 -10.355 1.00 9.00 H new ATOM 0 HB2 GLU A 158 -5.575 4.461 -8.102 1.00 9.38 H new ATOM 0 HB3 GLU A 158 -4.363 3.545 -8.975 1.00 9.38 H new ATOM 0 HG2 GLU A 158 -3.429 5.687 -8.541 1.00 10.19 H new ATOM 0 HG3 GLU A 158 -3.788 5.632 -10.255 1.00 10.19 H new ATOM 2347 N ALA A 159 -7.860 5.663 -9.782 1.00 7.82 N ATOM 2348 CA ALA A 159 -9.196 6.110 -9.434 1.00 7.20 C ATOM 2349 C ALA A 159 -10.215 5.622 -10.458 1.00 7.12 C ATOM 2350 O ALA A 159 -11.387 5.424 -10.132 1.00 6.81 O ATOM 2351 CB ALA A 159 -9.236 7.627 -9.326 1.00 7.44 C ATOM 0 H ALA A 159 -7.234 6.410 -10.083 1.00 7.82 H new ATOM 0 HA ALA A 159 -9.457 5.684 -8.465 1.00 7.20 H new ATOM 0 HB1 ALA A 159 -10.245 7.947 -9.064 1.00 7.44 H new ATOM 0 HB2 ALA A 159 -8.540 7.955 -8.554 1.00 7.44 H new ATOM 0 HB3 ALA A 159 -8.952 8.067 -10.282 1.00 7.44 H new ATOM 2357 N SER A 160 -9.766 5.433 -11.696 1.00 7.72 N ATOM 2358 CA SER A 160 -10.620 4.891 -12.743 1.00 8.04 C ATOM 2359 C SER A 160 -10.906 3.417 -12.461 1.00 7.99 C ATOM 2360 O SER A 160 -12.048 3.005 -12.254 1.00 8.08 O ATOM 2361 CB SER A 160 -9.927 5.055 -14.095 1.00 8.99 C ATOM 2362 OG SER A 160 -9.519 6.398 -14.287 1.00 9.64 O ATOM 0 H SER A 160 -8.815 5.648 -11.996 1.00 7.72 H new ATOM 0 HA SER A 160 -11.567 5.430 -12.764 1.00 8.04 H new ATOM 0 HB2 SER A 160 -9.061 4.395 -14.148 1.00 8.99 H new ATOM 0 HB3 SER A 160 -10.604 4.757 -14.895 1.00 8.99 H new ATOM 0 HG SER A 160 -8.769 6.601 -13.690 1.00 9.64 H new ATOM 2368 N LEU A 161 -9.809 2.646 -12.454 1.00 8.10 N ATOM 2369 CA LEU A 161 -9.837 1.182 -12.489 1.00 8.40 C ATOM 2370 C LEU A 161 -10.568 0.597 -11.309 1.00 7.89 C ATOM 2371 O LEU A 161 -11.157 -0.478 -11.408 1.00 8.18 O ATOM 2372 CB LEU A 161 -8.406 0.636 -12.512 1.00 9.04 C ATOM 2373 CG LEU A 161 -7.670 0.758 -13.848 1.00 9.80 C ATOM 2374 CD1 LEU A 161 -6.203 0.393 -13.679 1.00 10.57 C ATOM 2375 CD2 LEU A 161 -8.315 -0.135 -14.901 1.00 10.37 C ATOM 0 H LEU A 161 -8.865 3.031 -12.423 1.00 8.10 H new ATOM 0 HA LEU A 161 -10.371 0.891 -13.393 1.00 8.40 H new ATOM 0 HB2 LEU A 161 -7.826 1.157 -11.750 1.00 9.04 H new ATOM 0 HB3 LEU A 161 -8.434 -0.416 -12.228 1.00 9.04 H new ATOM 0 HG LEU A 161 -7.739 1.793 -14.183 1.00 9.80 H new ATOM 0 HD11 LEU A 161 -5.693 0.484 -14.638 1.00 10.57 H new ATOM 0 HD12 LEU A 161 -5.741 1.066 -12.956 1.00 10.57 H new ATOM 0 HD13 LEU A 161 -6.122 -0.634 -13.322 1.00 10.57 H new ATOM 0 HD21 LEU A 161 -7.777 -0.033 -15.843 1.00 10.37 H new ATOM 0 HD22 LEU A 161 -8.276 -1.173 -14.571 1.00 10.37 H new ATOM 0 HD23 LEU A 161 -9.354 0.162 -15.043 1.00 10.37 H new ATOM 2387 N ARG A 162 -10.477 1.310 -10.193 1.00 7.38 N ATOM 2388 CA ARG A 162 -11.062 0.893 -8.932 1.00 7.17 C ATOM 2389 C ARG A 162 -12.529 1.262 -8.894 1.00 6.87 C ATOM 2390 O ARG A 162 -13.359 0.503 -8.402 1.00 6.95 O ATOM 2391 CB ARG A 162 -10.292 1.578 -7.801 1.00 7.15 C ATOM 2392 CG ARG A 162 -10.992 2.762 -7.157 1.00 7.34 C ATOM 2393 CD ARG A 162 -10.057 3.506 -6.213 1.00 7.40 C ATOM 2394 NE ARG A 162 -9.614 2.660 -5.107 1.00 7.84 N ATOM 2395 CZ ARG A 162 -8.402 2.718 -4.555 1.00 8.24 C ATOM 2396 NH1 ARG A 162 -7.500 3.585 -4.998 1.00 8.25 N1+ ATOM 2397 NH2 ARG A 162 -8.088 1.904 -3.559 1.00 8.90 N ATOM 0 H ARG A 162 -9.988 2.204 -10.141 1.00 7.38 H new ATOM 0 HA ARG A 162 -10.992 -0.189 -8.816 1.00 7.17 H new ATOM 0 HB2 ARG A 162 -10.081 0.838 -7.028 1.00 7.15 H new ATOM 0 HB3 ARG A 162 -9.331 1.914 -8.191 1.00 7.15 H new ATOM 0 HG2 ARG A 162 -11.349 3.442 -7.931 1.00 7.34 H new ATOM 0 HG3 ARG A 162 -11.868 2.416 -6.608 1.00 7.34 H new ATOM 0 HD2 ARG A 162 -9.189 3.862 -6.768 1.00 7.40 H new ATOM 0 HD3 ARG A 162 -10.565 4.385 -5.817 1.00 7.40 H new ATOM 0 HE ARG A 162 -10.276 1.980 -4.733 1.00 7.84 H new ATOM 0 HH11 ARG A 162 -7.732 4.214 -5.767 1.00 8.25 H new ATOM 0 HH12 ARG A 162 -6.575 3.622 -4.570 1.00 8.25 H new ATOM 0 HH21 ARG A 162 -8.774 1.232 -3.214 1.00 8.90 H new ATOM 0 HH22 ARG A 162 -7.161 1.949 -3.137 1.00 8.90 H new ATOM 2411 N GLY A 163 -12.826 2.435 -9.425 1.00 6.89 N ATOM 2412 CA GLY A 163 -14.183 2.906 -9.495 1.00 7.01 C ATOM 2413 C GLY A 163 -14.896 2.859 -8.159 1.00 6.68 C ATOM 2414 O GLY A 163 -15.922 2.191 -8.024 1.00 7.15 O ATOM 0 H GLY A 163 -12.135 3.077 -9.814 1.00 6.89 H new ATOM 0 HA2 GLY A 163 -14.187 3.931 -9.867 1.00 7.01 H new ATOM 0 HA3 GLY A 163 -14.734 2.303 -10.216 1.00 7.01 H new ATOM 2418 N THR A 164 -14.351 3.591 -7.190 1.00 6.17 N ATOM 2419 CA THR A 164 -14.796 3.565 -5.797 1.00 6.16 C ATOM 2420 C THR A 164 -14.893 2.144 -5.242 1.00 6.65 C ATOM 2421 O THR A 164 -13.910 1.607 -4.730 1.00 7.09 O ATOM 2422 CB THR A 164 -16.130 4.323 -5.558 1.00 6.38 C ATOM 2423 OG1 THR A 164 -17.157 3.894 -6.464 1.00 6.86 O ATOM 2424 CG2 THR A 164 -15.929 5.822 -5.691 1.00 6.23 C ATOM 0 H THR A 164 -13.574 4.231 -7.353 1.00 6.17 H new ATOM 0 HA THR A 164 -14.019 4.098 -5.249 1.00 6.16 H new ATOM 0 HB THR A 164 -16.451 4.090 -4.543 1.00 6.38 H new ATOM 0 HG1 THR A 164 -17.925 3.560 -5.954 1.00 6.86 H new ATOM 0 HG21 THR A 164 -16.877 6.333 -5.520 1.00 6.23 H new ATOM 0 HG22 THR A 164 -15.198 6.158 -4.956 1.00 6.23 H new ATOM 0 HG23 THR A 164 -15.568 6.053 -6.693 1.00 6.23 H new ATOM 2432 N VAL A 165 -16.065 1.535 -5.366 1.00 6.89 N ATOM 2433 CA VAL A 165 -16.342 0.249 -4.739 1.00 7.69 C ATOM 2434 C VAL A 165 -15.606 -0.903 -5.436 1.00 7.93 C ATOM 2435 O VAL A 165 -16.060 -1.450 -6.446 1.00 8.39 O ATOM 2436 CB VAL A 165 -17.869 -0.021 -4.673 1.00 8.39 C ATOM 2437 CG1 VAL A 165 -18.521 0.101 -6.046 1.00 9.20 C ATOM 2438 CG2 VAL A 165 -18.152 -1.382 -4.058 1.00 8.56 C ATOM 0 H VAL A 165 -16.846 1.915 -5.900 1.00 6.89 H new ATOM 0 HA VAL A 165 -15.961 0.300 -3.719 1.00 7.69 H new ATOM 0 HB VAL A 165 -18.310 0.743 -4.032 1.00 8.39 H new ATOM 0 HG11 VAL A 165 -19.590 -0.095 -5.960 1.00 9.20 H new ATOM 0 HG12 VAL A 165 -18.367 1.108 -6.434 1.00 9.20 H new ATOM 0 HG13 VAL A 165 -18.073 -0.623 -6.727 1.00 9.20 H new ATOM 0 HG21 VAL A 165 -19.229 -1.548 -4.022 1.00 8.56 H new ATOM 0 HG22 VAL A 165 -17.684 -2.159 -4.663 1.00 8.56 H new ATOM 0 HG23 VAL A 165 -17.746 -1.416 -3.047 1.00 8.56 H new ATOM 2448 N ALA A 166 -14.449 -1.250 -4.892 1.00 7.88 N ATOM 2449 CA ALA A 166 -13.657 -2.357 -5.399 1.00 8.33 C ATOM 2450 C ALA A 166 -12.800 -2.945 -4.287 1.00 8.94 C ATOM 2451 O ALA A 166 -11.778 -2.369 -3.909 1.00 9.11 O ATOM 2452 CB ALA A 166 -12.784 -1.902 -6.560 1.00 8.31 C ATOM 0 H ALA A 166 -14.036 -0.774 -4.090 1.00 7.88 H new ATOM 0 HA ALA A 166 -14.334 -3.130 -5.762 1.00 8.33 H new ATOM 0 HB1 ALA A 166 -12.198 -2.745 -6.927 1.00 8.31 H new ATOM 0 HB2 ALA A 166 -13.416 -1.522 -7.363 1.00 8.31 H new ATOM 0 HB3 ALA A 166 -12.112 -1.113 -6.223 1.00 8.31 H new ATOM 2458 N ARG A 167 -13.226 -4.078 -3.751 1.00 9.50 N ATOM 2459 CA ARG A 167 -12.491 -4.735 -2.683 1.00 10.31 C ATOM 2460 C ARG A 167 -11.564 -5.789 -3.266 1.00 10.80 C ATOM 2461 O ARG A 167 -11.966 -6.929 -3.486 1.00 11.13 O ATOM 2462 CB ARG A 167 -13.456 -5.359 -1.671 1.00 10.89 C ATOM 2463 CG ARG A 167 -12.770 -5.818 -0.390 1.00 11.67 C ATOM 2464 CD ARG A 167 -12.067 -7.148 -0.569 1.00 12.28 C ATOM 2465 NE ARG A 167 -11.350 -7.562 0.636 1.00 13.07 N ATOM 2466 CZ ARG A 167 -10.664 -8.702 0.746 1.00 13.78 C ATOM 2467 NH1 ARG A 167 -10.590 -9.542 -0.280 1.00 13.81 N1+ ATOM 2468 NH2 ARG A 167 -10.055 -9.000 1.887 1.00 14.58 N ATOM 0 H ARG A 167 -14.077 -4.561 -4.038 1.00 9.50 H new ATOM 0 HA ARG A 167 -11.889 -3.992 -2.159 1.00 10.31 H new ATOM 0 HB2 ARG A 167 -14.229 -4.633 -1.421 1.00 10.89 H new ATOM 0 HB3 ARG A 167 -13.956 -6.211 -2.133 1.00 10.89 H new ATOM 0 HG2 ARG A 167 -12.047 -5.065 -0.076 1.00 11.67 H new ATOM 0 HG3 ARG A 167 -13.509 -5.903 0.407 1.00 11.67 H new ATOM 0 HD2 ARG A 167 -12.799 -7.911 -0.834 1.00 12.28 H new ATOM 0 HD3 ARG A 167 -11.366 -7.077 -1.400 1.00 12.28 H new ATOM 0 HE ARG A 167 -11.376 -6.940 1.444 1.00 13.07 H new ATOM 0 HH11 ARG A 167 -11.059 -9.318 -1.158 1.00 13.81 H new ATOM 0 HH12 ARG A 167 -10.064 -10.412 -0.190 1.00 13.81 H new ATOM 0 HH21 ARG A 167 -10.112 -8.358 2.678 1.00 14.58 H new ATOM 0 HH22 ARG A 167 -9.530 -9.871 1.973 1.00 14.58 H new ATOM 2482 N MET A 168 -10.328 -5.382 -3.506 1.00 11.01 N ATOM 2483 CA MET A 168 -9.288 -6.232 -4.083 1.00 11.55 C ATOM 2484 C MET A 168 -7.943 -5.537 -3.989 1.00 11.86 C ATOM 2485 O MET A 168 -7.854 -4.318 -4.152 1.00 11.94 O ATOM 2486 CB MET A 168 -9.585 -6.543 -5.550 1.00 11.57 C ATOM 2487 CG MET A 168 -10.521 -7.716 -5.745 1.00 11.64 C ATOM 2488 SD MET A 168 -11.449 -7.616 -7.286 1.00 11.27 S ATOM 2489 CE MET A 168 -12.365 -6.098 -7.009 1.00 10.38 C ATOM 0 H MET A 168 -10.009 -4.435 -3.303 1.00 11.01 H new ATOM 0 HA MET A 168 -9.267 -7.166 -3.521 1.00 11.55 H new ATOM 0 HB2 MET A 168 -10.020 -5.660 -6.019 1.00 11.57 H new ATOM 0 HB3 MET A 168 -8.647 -6.748 -6.066 1.00 11.57 H new ATOM 0 HG2 MET A 168 -9.945 -8.641 -5.732 1.00 11.64 H new ATOM 0 HG3 MET A 168 -11.218 -7.762 -4.908 1.00 11.64 H new ATOM 0 HE1 MET A 168 -13.324 -6.153 -7.524 1.00 10.38 H new ATOM 0 HE2 MET A 168 -12.534 -5.965 -5.940 1.00 10.38 H new ATOM 0 HE3 MET A 168 -11.794 -5.253 -7.394 1.00 10.38 H new ATOM 2499 N GLN A 169 -6.901 -6.307 -3.723 1.00 12.22 N ATOM 2500 CA GLN A 169 -5.555 -5.764 -3.694 1.00 12.70 C ATOM 2501 C GLN A 169 -4.898 -5.934 -5.060 1.00 12.99 C ATOM 2502 O GLN A 169 -5.571 -6.131 -6.074 1.00 13.33 O ATOM 2503 CB GLN A 169 -4.717 -6.422 -2.591 1.00 13.10 C ATOM 2504 CG GLN A 169 -4.719 -7.939 -2.639 1.00 13.81 C ATOM 2505 CD GLN A 169 -3.711 -8.553 -1.690 1.00 14.46 C ATOM 2506 OE1 GLN A 169 -3.391 -7.983 -0.647 1.00 14.64 O ATOM 2507 NE2 GLN A 169 -3.202 -9.719 -2.042 1.00 14.99 N ATOM 0 H GLN A 169 -6.961 -7.306 -3.525 1.00 12.22 H new ATOM 0 HA GLN A 169 -5.613 -4.700 -3.466 1.00 12.70 H new ATOM 0 HB2 GLN A 169 -3.689 -6.067 -2.669 1.00 13.10 H new ATOM 0 HB3 GLN A 169 -5.093 -6.099 -1.621 1.00 13.10 H new ATOM 0 HG2 GLN A 169 -5.715 -8.305 -2.392 1.00 13.81 H new ATOM 0 HG3 GLN A 169 -4.502 -8.267 -3.656 1.00 13.81 H new ATOM 0 HE21 GLN A 169 -3.493 -10.160 -2.915 1.00 14.99 H new ATOM 0 HE22 GLN A 169 -2.518 -10.179 -1.441 1.00 14.99 H new ATOM 2516 N GLU A 170 -3.564 -5.851 -5.050 1.00 13.03 N ATOM 2517 CA GLU A 170 -2.723 -6.152 -6.204 1.00 13.47 C ATOM 2518 C GLU A 170 -3.010 -5.242 -7.385 1.00 13.57 C ATOM 2519 O GLU A 170 -2.835 -5.653 -8.532 1.00 13.95 O ATOM 2520 CB GLU A 170 -2.860 -7.618 -6.628 1.00 14.04 C ATOM 2521 CG GLU A 170 -2.299 -8.604 -5.619 1.00 14.40 C ATOM 2522 CD GLU A 170 -0.826 -8.386 -5.365 1.00 14.65 C ATOM 2523 OE1 GLU A 170 -0.016 -8.613 -6.287 1.00 15.01 O1- ATOM 2524 OE2 GLU A 170 -0.466 -7.982 -4.239 1.00 14.64 O ATOM 0 H GLU A 170 -3.034 -5.568 -4.226 1.00 13.03 H new ATOM 0 HA GLU A 170 -1.696 -5.970 -5.887 1.00 13.47 H new ATOM 0 HB2 GLU A 170 -3.914 -7.842 -6.793 1.00 14.04 H new ATOM 0 HB3 GLU A 170 -2.351 -7.760 -7.582 1.00 14.04 H new ATOM 0 HG2 GLU A 170 -2.845 -8.511 -4.680 1.00 14.40 H new ATOM 0 HG3 GLU A 170 -2.457 -9.620 -5.980 1.00 14.40 H new ATOM 2531 N THR A 171 -3.409 -4.008 -7.112 1.00 13.39 N ATOM 2532 CA THR A 171 -3.642 -3.036 -8.167 1.00 13.67 C ATOM 2533 C THR A 171 -2.318 -2.491 -8.709 1.00 13.64 C ATOM 2534 O THR A 171 -2.015 -1.306 -8.583 1.00 13.80 O ATOM 2535 CB THR A 171 -4.528 -1.879 -7.674 1.00 13.90 C ATOM 2536 OG1 THR A 171 -4.025 -1.357 -6.436 1.00 13.68 O ATOM 2537 CG2 THR A 171 -5.965 -2.342 -7.489 1.00 14.25 C ATOM 0 H THR A 171 -3.578 -3.658 -6.169 1.00 13.39 H new ATOM 0 HA THR A 171 -4.166 -3.548 -8.974 1.00 13.67 H new ATOM 0 HB THR A 171 -4.507 -1.092 -8.428 1.00 13.90 H new ATOM 0 HG1 THR A 171 -3.096 -1.068 -6.556 1.00 13.68 H new ATOM 0 HG21 THR A 171 -6.574 -1.508 -7.140 1.00 14.25 H new ATOM 0 HG22 THR A 171 -6.356 -2.704 -8.440 1.00 14.25 H new ATOM 0 HG23 THR A 171 -5.996 -3.147 -6.754 1.00 14.25 H new ATOM 2545 N THR A 172 -1.527 -3.377 -9.295 1.00 13.61 N ATOM 2546 CA THR A 172 -0.238 -3.014 -9.844 1.00 13.78 C ATOM 2547 C THR A 172 -0.401 -2.242 -11.149 1.00 14.39 C ATOM 2548 O THR A 172 0.013 -1.082 -11.247 1.00 14.89 O ATOM 2549 CB THR A 172 0.600 -4.276 -10.109 1.00 13.53 C ATOM 2550 OG1 THR A 172 0.577 -5.132 -8.959 1.00 13.57 O ATOM 2551 CG2 THR A 172 2.034 -3.913 -10.453 1.00 13.88 C ATOM 0 H THR A 172 -1.763 -4.364 -9.401 1.00 13.61 H new ATOM 0 HA THR A 172 0.269 -2.380 -9.117 1.00 13.78 H new ATOM 0 HB THR A 172 0.164 -4.802 -10.959 1.00 13.53 H new ATOM 0 HG1 THR A 172 1.112 -5.934 -9.137 1.00 13.57 H new ATOM 0 HG21 THR A 172 2.606 -4.823 -10.636 1.00 13.88 H new ATOM 0 HG22 THR A 172 2.047 -3.290 -11.347 1.00 13.88 H new ATOM 0 HG23 THR A 172 2.480 -3.365 -9.623 1.00 13.88 H new ATOM 2559 N SER A 173 -1.022 -2.885 -12.134 1.00 14.50 N ATOM 2560 CA SER A 173 -1.202 -2.301 -13.458 1.00 15.21 C ATOM 2561 C SER A 173 0.141 -1.832 -14.019 1.00 15.64 C ATOM 2562 O SER A 173 0.298 -0.682 -14.433 1.00 15.85 O ATOM 2563 CB SER A 173 -2.215 -1.148 -13.402 1.00 15.46 C ATOM 2564 OG SER A 173 -2.401 -0.557 -14.679 1.00 15.55 O ATOM 0 H SER A 173 -1.413 -3.822 -12.037 1.00 14.50 H new ATOM 0 HA SER A 173 -1.599 -3.063 -14.128 1.00 15.21 H new ATOM 0 HB2 SER A 173 -3.170 -1.519 -13.029 1.00 15.46 H new ATOM 0 HB3 SER A 173 -1.869 -0.392 -12.697 1.00 15.46 H new ATOM 0 HG SER A 173 -1.537 -0.256 -15.029 1.00 15.55 H new ATOM 2570 N GLY A 174 1.108 -2.738 -14.033 1.00 15.94 N ATOM 2571 CA GLY A 174 2.430 -2.405 -14.521 1.00 16.51 C ATOM 2572 C GLY A 174 2.678 -2.954 -15.908 1.00 16.95 C ATOM 2573 O GLY A 174 3.826 -3.124 -16.319 1.00 17.54 O ATOM 0 H GLY A 174 1.000 -3.701 -13.714 1.00 15.94 H new ATOM 0 HA2 GLY A 174 2.549 -1.322 -14.533 1.00 16.51 H new ATOM 0 HA3 GLY A 174 3.180 -2.800 -13.835 1.00 16.51 H new ATOM 2577 N LEU A 175 1.600 -3.236 -16.630 1.00 16.81 N ATOM 2578 CA LEU A 175 1.706 -3.783 -17.978 1.00 17.34 C ATOM 2579 C LEU A 175 2.280 -2.745 -18.935 1.00 17.70 C ATOM 2580 O LEU A 175 2.113 -1.541 -18.729 1.00 17.85 O ATOM 2581 CB LEU A 175 0.345 -4.274 -18.498 1.00 17.29 C ATOM 2582 CG LEU A 175 -0.674 -3.182 -18.865 1.00 17.29 C ATOM 2583 CD1 LEU A 175 -1.811 -3.776 -19.680 1.00 17.42 C ATOM 2584 CD2 LEU A 175 -1.233 -2.504 -17.619 1.00 17.14 C ATOM 0 H LEU A 175 0.643 -3.095 -16.305 1.00 16.81 H new ATOM 0 HA LEU A 175 2.380 -4.638 -17.929 1.00 17.34 H new ATOM 0 HB2 LEU A 175 0.517 -4.892 -19.379 1.00 17.29 H new ATOM 0 HB3 LEU A 175 -0.100 -4.917 -17.739 1.00 17.29 H new ATOM 0 HG LEU A 175 -0.156 -2.430 -19.460 1.00 17.29 H new ATOM 0 HD11 LEU A 175 -2.525 -2.992 -19.933 1.00 17.42 H new ATOM 0 HD12 LEU A 175 -1.413 -4.213 -20.595 1.00 17.42 H new ATOM 0 HD13 LEU A 175 -2.312 -4.549 -19.097 1.00 17.42 H new ATOM 0 HD21 LEU A 175 -1.950 -1.737 -17.913 1.00 17.14 H new ATOM 0 HD22 LEU A 175 -1.730 -3.245 -16.993 1.00 17.14 H new ATOM 0 HD23 LEU A 175 -0.419 -2.044 -17.059 1.00 17.14 H new ATOM 2596 N GLU A 176 2.947 -3.221 -19.976 1.00 17.97 N ATOM 2597 CA GLU A 176 3.514 -2.348 -20.989 1.00 18.46 C ATOM 2598 C GLU A 176 3.975 -3.173 -22.186 1.00 18.48 C ATOM 2599 O GLU A 176 5.057 -3.759 -22.169 1.00 18.35 O ATOM 2600 CB GLU A 176 4.675 -1.531 -20.409 1.00 18.91 C ATOM 2601 CG GLU A 176 5.242 -0.493 -21.362 1.00 19.00 C ATOM 2602 CD GLU A 176 6.232 0.429 -20.682 1.00 19.35 C ATOM 2603 OE1 GLU A 176 7.357 -0.020 -20.380 1.00 19.40 O1- ATOM 2604 OE2 GLU A 176 5.884 1.601 -20.438 1.00 19.67 O ATOM 0 H GLU A 176 3.109 -4.215 -20.140 1.00 17.97 H new ATOM 0 HA GLU A 176 2.747 -1.649 -21.322 1.00 18.46 H new ATOM 0 HB2 GLU A 176 4.335 -1.029 -19.503 1.00 18.91 H new ATOM 0 HB3 GLU A 176 5.473 -2.213 -20.115 1.00 18.91 H new ATOM 0 HG2 GLU A 176 5.731 -0.997 -22.196 1.00 19.00 H new ATOM 0 HG3 GLU A 176 4.427 0.097 -21.780 1.00 19.00 H new ATOM 2611 N VAL A 177 3.150 -3.231 -23.216 1.00 18.75 N ATOM 2612 CA VAL A 177 3.492 -3.977 -24.418 1.00 18.92 C ATOM 2613 C VAL A 177 3.878 -3.020 -25.548 1.00 19.38 C ATOM 2614 O VAL A 177 4.422 -3.431 -26.574 1.00 19.52 O ATOM 2615 CB VAL A 177 2.326 -4.896 -24.863 1.00 18.88 C ATOM 2616 CG1 VAL A 177 1.089 -4.083 -25.221 1.00 19.38 C ATOM 2617 CG2 VAL A 177 2.741 -5.790 -26.022 1.00 18.51 C ATOM 0 H VAL A 177 2.240 -2.772 -23.246 1.00 18.75 H new ATOM 0 HA VAL A 177 4.347 -4.611 -24.186 1.00 18.92 H new ATOM 0 HB VAL A 177 2.073 -5.537 -24.019 1.00 18.88 H new ATOM 0 HG11 VAL A 177 0.288 -4.755 -25.529 1.00 19.38 H new ATOM 0 HG12 VAL A 177 0.767 -3.509 -24.352 1.00 19.38 H new ATOM 0 HG13 VAL A 177 1.325 -3.402 -26.038 1.00 19.38 H new ATOM 0 HG21 VAL A 177 1.902 -6.423 -26.312 1.00 18.51 H new ATOM 0 HG22 VAL A 177 3.039 -5.172 -26.869 1.00 18.51 H new ATOM 0 HG23 VAL A 177 3.579 -6.416 -25.717 1.00 18.51 H new ATOM 2627 N LEU A 178 3.608 -1.733 -25.327 1.00 19.73 N ATOM 2628 CA LEU A 178 3.898 -0.676 -26.298 1.00 20.29 C ATOM 2629 C LEU A 178 2.948 -0.757 -27.491 1.00 20.67 C ATOM 2630 O LEU A 178 1.953 -1.484 -27.447 1.00 20.64 O ATOM 2631 CB LEU A 178 5.361 -0.725 -26.766 1.00 20.68 C ATOM 2632 CG LEU A 178 6.411 -0.552 -25.664 1.00 20.91 C ATOM 2633 CD1 LEU A 178 7.809 -0.662 -26.244 1.00 20.95 C ATOM 2634 CD2 LEU A 178 6.232 0.784 -24.959 1.00 21.15 C ATOM 0 H LEU A 178 3.180 -1.392 -24.466 1.00 19.73 H new ATOM 0 HA LEU A 178 3.742 0.280 -25.797 1.00 20.29 H new ATOM 0 HB2 LEU A 178 5.534 -1.680 -27.262 1.00 20.68 H new ATOM 0 HB3 LEU A 178 5.512 0.054 -27.513 1.00 20.68 H new ATOM 0 HG LEU A 178 6.275 -1.348 -24.931 1.00 20.91 H new ATOM 0 HD11 LEU A 178 8.544 -0.537 -25.449 1.00 20.95 H new ATOM 0 HD12 LEU A 178 7.936 -1.642 -26.704 1.00 20.95 H new ATOM 0 HD13 LEU A 178 7.953 0.114 -26.996 1.00 20.95 H new ATOM 0 HD21 LEU A 178 6.987 0.888 -24.180 1.00 21.15 H new ATOM 0 HD22 LEU A 178 6.341 1.594 -25.681 1.00 21.15 H new ATOM 0 HD23 LEU A 178 5.239 0.829 -24.511 1.00 21.15 H new ATOM 2646 N PHE A 179 3.242 -0.020 -28.551 1.00 21.16 N ATOM 2647 CA PHE A 179 2.335 0.061 -29.688 1.00 21.69 C ATOM 2648 C PHE A 179 2.433 -1.177 -30.581 1.00 22.01 C ATOM 2649 O PHE A 179 1.424 -1.647 -31.111 1.00 22.11 O ATOM 2650 CB PHE A 179 2.615 1.324 -30.504 1.00 22.17 C ATOM 2651 CG PHE A 179 1.581 1.595 -31.560 1.00 22.45 C ATOM 2652 CD1 PHE A 179 0.362 2.167 -31.230 1.00 22.38 C ATOM 2653 CD2 PHE A 179 1.833 1.278 -32.885 1.00 22.88 C ATOM 2654 CE1 PHE A 179 -0.584 2.417 -32.204 1.00 22.75 C ATOM 2655 CE2 PHE A 179 0.890 1.525 -33.861 1.00 23.25 C ATOM 2656 CZ PHE A 179 -0.338 2.099 -33.502 1.00 23.19 C ATOM 0 H PHE A 179 4.097 0.528 -28.649 1.00 21.16 H new ATOM 0 HA PHE A 179 1.319 0.107 -29.295 1.00 21.69 H new ATOM 0 HB2 PHE A 179 2.667 2.179 -29.830 1.00 22.17 H new ATOM 0 HB3 PHE A 179 3.592 1.232 -30.978 1.00 22.17 H new ATOM 0 HD1 PHE A 179 0.150 2.419 -30.201 1.00 22.38 H new ATOM 0 HD2 PHE A 179 2.779 0.832 -33.157 1.00 22.88 H new ATOM 0 HE1 PHE A 179 -1.527 2.869 -31.932 1.00 22.75 H new ATOM 0 HE2 PHE A 179 1.096 1.279 -34.892 1.00 23.25 H new ATOM 0 HZ PHE A 179 -1.087 2.288 -34.256 1.00 23.19 H new ATOM 2666 N GLN A 180 3.639 -1.704 -30.743 1.00 22.29 N ATOM 2667 CA GLN A 180 3.857 -2.848 -31.621 1.00 22.74 C ATOM 2668 C GLN A 180 3.268 -4.112 -31.012 1.00 22.89 C ATOM 2669 O GLN A 180 3.743 -4.528 -29.937 1.00 22.88 O ATOM 2670 CB GLN A 180 5.345 -3.057 -31.893 1.00 23.08 C ATOM 2671 CG GLN A 180 5.620 -4.122 -32.942 1.00 23.17 C ATOM 2672 CD GLN A 180 7.096 -4.338 -33.181 1.00 23.36 C ATOM 2673 OE1 GLN A 180 7.722 -5.195 -32.557 1.00 23.45 O ATOM 2674 NE2 GLN A 180 7.669 -3.555 -34.079 1.00 23.52 N ATOM 2675 OXT GLN A 180 2.320 -4.673 -31.598 1.00 23.12 O ATOM 0 H GLN A 180 4.480 -1.360 -30.280 1.00 22.29 H new ATOM 0 HA GLN A 180 3.355 -2.638 -32.566 1.00 22.74 H new ATOM 0 HB2 GLN A 180 5.784 -2.114 -32.219 1.00 23.08 H new ATOM 0 HB3 GLN A 180 5.842 -3.335 -30.964 1.00 23.08 H new ATOM 0 HG2 GLN A 180 5.166 -5.062 -32.628 1.00 23.17 H new ATOM 0 HG3 GLN A 180 5.143 -3.835 -33.879 1.00 23.17 H new ATOM 0 HE21 GLN A 180 7.115 -2.857 -34.575 1.00 23.52 H new ATOM 0 HE22 GLN A 180 8.665 -3.649 -34.276 1.00 23.52 H new TER 2684 GLN A 180 HETATM 2685 AG AG A 200 -8.718 0.452 27.745 1.00 9.75 AG