USER MOD reduce.3.24.130724 H: found=0, std=0, add=731, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 731 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 14 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl -142:sc= -0.285 (180deg=-1.09) USER MOD Single : A 1 MET N :NH3+ 129:sc= 0.0579 (180deg=-0.000478) USER MOD Single : A 3 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 4 HIS : no HD1:sc= 0 X(o=0,f=-0.0073) USER MOD Single : A 5 HIS : no HD1:sc= 0 X(o=0,f=-0.0035) USER MOD Single : A 6 HIS : no HD1:sc= 0 X(o=0,f=-0.009) USER MOD Single : A 7 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 8 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 9 SER OG : rot 180:sc= 0.0142 USER MOD Single : A 10 HIS : no HD1:sc= -0.176 X(o=-0.18,f=-0.068) USER MOD Single : A 16 HIS : +bothHN:sc= 1.14 K(o=1.1,f=-4.3!) USER MOD Single : A 18 HIS : no HD1:sc= -0.0289 X(o=-0.029,f=-0.017) USER MOD Single : A 20 THR OG1 : rot -130:sc= -0.0358 USER MOD Single : A 21 HIS : no HD1:sc= -0.862 K(o=-0.86,f=-6.7!) USER MOD Single : A 23 ASN : amide:sc= -0.598 K(o=-0.6,f=-2.1) USER MOD Single : A 25 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.03) USER MOD Single : A 26 SER OG : rot -46:sc= 0.0653 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 36 GLN : amide:sc= 0 X(o=0,f=-0.47) USER MOD Single : A 37 MET CE :methyl -152:sc= -0.788 (180deg=-1.86!) USER MOD Single : A 38 SER OG : rot 180:sc= 0.0052 USER MOD Single : A 43 LYS NZ :NH3+ 171:sc=-0.00141 (180deg=-0.114) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ 135:sc= -1.21 (180deg=-3.66!) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 CYS SG : rot 180:sc= 0 USER MOD Single : A 52 THR OG1 : rot 128:sc= 1.25 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 55 ASN : amide:sc= -0.111 X(o=-0.11,f=-0.11) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 57 MET CE :methyl -114:sc= -1.22 (180deg=-5.4!) USER MOD Single : A 62 TYR OH : rot 58:sc= 1.21 USER MOD Single : A 65 SER OG : rot -120:sc= 1.18 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ -175:sc=-0.000646 (180deg=-0.0337) USER MOD Single : A 73 SER OG : rot -40:sc= 0.296 USER MOD Single : A 76 SER OG : rot -11:sc= 0.587 USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 91 HIS : no HE2:sc= 0.988 K(o=0.99,f=-4.9!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 9.935 9.728 -18.497 1.00 73.35 N ATOM 2 CA MET A 1 8.514 10.126 -18.397 1.00 1.22 C ATOM 3 C MET A 1 7.607 8.922 -18.604 1.00 22.31 C ATOM 4 O MET A 1 7.978 7.973 -19.293 1.00 31.12 O ATOM 5 CB MET A 1 8.181 11.196 -19.441 1.00 11.22 C ATOM 6 CG MET A 1 8.299 10.702 -20.875 1.00 15.21 C ATOM 7 SD MET A 1 7.694 11.893 -22.087 1.00 14.42 S ATOM 8 CE MET A 1 5.981 12.040 -21.582 1.00 21.11 C ATOM 0 H1 MET A 1 10.426 10.357 -19.164 1.00 73.35 H new ATOM 0 H2 MET A 1 10.382 9.800 -17.561 1.00 73.35 H new ATOM 0 H3 MET A 1 9.998 8.747 -18.836 1.00 73.35 H new ATOM 0 HA MET A 1 8.348 10.534 -17.400 1.00 1.22 H new ATOM 0 HB2 MET A 1 7.166 11.555 -19.271 1.00 11.22 H new ATOM 0 HB3 MET A 1 8.847 12.047 -19.302 1.00 11.22 H new ATOM 0 HG2 MET A 1 9.343 10.473 -21.089 1.00 15.21 H new ATOM 0 HG3 MET A 1 7.741 9.771 -20.979 1.00 15.21 H new ATOM 0 HE1 MET A 1 5.348 12.127 -22.465 1.00 21.11 H new ATOM 0 HE2 MET A 1 5.692 11.156 -21.014 1.00 21.11 H new ATOM 0 HE3 MET A 1 5.860 12.927 -20.960 1.00 21.11 H new ATOM 20 N GLY A 2 6.426 8.965 -17.999 1.00 42.12 N ATOM 21 CA GLY A 2 5.425 7.939 -18.223 1.00 31.30 C ATOM 22 C GLY A 2 5.717 6.633 -17.508 1.00 54.43 C ATOM 23 O GLY A 2 4.991 6.254 -16.590 1.00 62.53 O ATOM 0 H GLY A 2 6.142 9.700 -17.351 1.00 42.12 H new ATOM 0 HA2 GLY A 2 4.455 8.313 -17.895 1.00 31.30 H new ATOM 0 HA3 GLY A 2 5.348 7.747 -19.293 1.00 31.30 H new ATOM 27 N HIS A 3 6.790 5.963 -17.928 1.00 43.54 N ATOM 28 CA HIS A 3 7.107 4.605 -17.484 1.00 40.55 C ATOM 29 C HIS A 3 6.073 3.628 -18.030 1.00 74.15 C ATOM 30 O HIS A 3 5.046 3.376 -17.400 1.00 42.33 O ATOM 31 CB HIS A 3 7.198 4.486 -15.953 1.00 3.22 C ATOM 32 CG HIS A 3 8.413 5.129 -15.352 1.00 54.21 C ATOM 33 ND1 HIS A 3 9.646 4.514 -15.314 1.00 64.25 N ATOM 34 CD2 HIS A 3 8.577 6.328 -14.745 1.00 73.21 C ATOM 35 CE1 HIS A 3 10.514 5.300 -14.707 1.00 41.40 C ATOM 36 NE2 HIS A 3 9.892 6.408 -14.348 1.00 62.33 N ATOM 0 H HIS A 3 7.466 6.348 -18.588 1.00 43.54 H new ATOM 0 HA HIS A 3 8.093 4.358 -17.877 1.00 40.55 H new ATOM 0 HB2 HIS A 3 6.308 4.936 -15.512 1.00 3.22 H new ATOM 0 HB3 HIS A 3 7.189 3.430 -15.682 1.00 3.22 H new ATOM 0 HD2 HIS A 3 7.817 7.081 -14.599 1.00 73.21 H new ATOM 0 HE1 HIS A 3 11.556 5.076 -14.533 1.00 41.40 H new ATOM 0 HE2 HIS A 3 10.317 7.195 -13.857 1.00 62.33 H new ATOM 45 N HIS A 4 6.347 3.109 -19.223 1.00 64.13 N ATOM 46 CA HIS A 4 5.441 2.189 -19.904 1.00 1.31 C ATOM 47 C HIS A 4 5.175 0.953 -19.047 1.00 23.25 C ATOM 48 O HIS A 4 6.016 0.059 -18.941 1.00 72.41 O ATOM 49 CB HIS A 4 6.036 1.796 -21.268 1.00 3.13 C ATOM 50 CG HIS A 4 5.240 0.787 -22.036 1.00 54.41 C ATOM 51 ND1 HIS A 4 5.813 -0.323 -22.615 1.00 22.44 N ATOM 52 CD2 HIS A 4 3.922 0.727 -22.338 1.00 51.14 C ATOM 53 CE1 HIS A 4 4.887 -1.023 -23.233 1.00 43.31 C ATOM 54 NE2 HIS A 4 3.727 -0.411 -23.082 1.00 44.21 N ATOM 0 H HIS A 4 7.200 3.313 -19.744 1.00 64.13 H new ATOM 0 HA HIS A 4 4.485 2.687 -20.066 1.00 1.31 H new ATOM 0 HB2 HIS A 4 6.139 2.695 -21.876 1.00 3.13 H new ATOM 0 HB3 HIS A 4 7.040 1.401 -21.110 1.00 3.13 H new ATOM 0 HD2 HIS A 4 3.165 1.441 -22.048 1.00 51.14 H new ATOM 0 HE1 HIS A 4 5.048 -1.944 -23.773 1.00 43.31 H new ATOM 0 HE2 HIS A 4 2.833 -0.731 -23.456 1.00 44.21 H new ATOM 63 N HIS A 5 4.002 0.918 -18.432 1.00 32.05 N ATOM 64 CA HIS A 5 3.627 -0.175 -17.554 1.00 1.31 C ATOM 65 C HIS A 5 2.707 -1.137 -18.290 1.00 73.12 C ATOM 66 O HIS A 5 1.499 -0.922 -18.371 1.00 23.24 O ATOM 67 CB HIS A 5 2.939 0.364 -16.293 1.00 21.34 C ATOM 68 CG HIS A 5 2.571 -0.696 -15.295 1.00 33.33 C ATOM 69 ND1 HIS A 5 1.283 -1.153 -15.120 1.00 52.13 N ATOM 70 CD2 HIS A 5 3.331 -1.380 -14.409 1.00 1.44 C ATOM 71 CE1 HIS A 5 1.267 -2.068 -14.171 1.00 52.13 C ATOM 72 NE2 HIS A 5 2.498 -2.227 -13.723 1.00 22.53 N ATOM 0 H HIS A 5 3.290 1.642 -18.528 1.00 32.05 H new ATOM 0 HA HIS A 5 4.527 -0.710 -17.252 1.00 1.31 H new ATOM 0 HB2 HIS A 5 3.599 1.087 -15.813 1.00 21.34 H new ATOM 0 HB3 HIS A 5 2.037 0.901 -16.586 1.00 21.34 H new ATOM 0 HD2 HIS A 5 4.397 -1.278 -14.268 1.00 1.44 H new ATOM 0 HE1 HIS A 5 0.394 -2.598 -13.820 1.00 52.13 H new ATOM 0 HE2 HIS A 5 2.783 -2.874 -12.987 1.00 22.53 H new ATOM 81 N HIS A 6 3.287 -2.182 -18.849 1.00 24.43 N ATOM 82 CA HIS A 6 2.524 -3.181 -19.578 1.00 12.32 C ATOM 83 C HIS A 6 3.125 -4.558 -19.341 1.00 43.20 C ATOM 84 O HIS A 6 4.066 -4.965 -20.021 1.00 31.32 O ATOM 85 CB HIS A 6 2.503 -2.843 -21.073 1.00 53.12 C ATOM 86 CG HIS A 6 1.707 -3.794 -21.913 1.00 54.01 C ATOM 87 ND1 HIS A 6 2.280 -4.605 -22.862 1.00 51.45 N ATOM 88 CD2 HIS A 6 0.376 -4.041 -21.962 1.00 2.05 C ATOM 89 CE1 HIS A 6 1.342 -5.311 -23.461 1.00 71.04 C ATOM 90 NE2 HIS A 6 0.176 -4.990 -22.934 1.00 34.31 N ATOM 0 H HIS A 6 4.290 -2.363 -18.812 1.00 24.43 H new ATOM 0 HA HIS A 6 1.495 -3.184 -19.217 1.00 12.32 H new ATOM 0 HB2 HIS A 6 2.098 -1.839 -21.200 1.00 53.12 H new ATOM 0 HB3 HIS A 6 3.528 -2.822 -21.442 1.00 53.12 H new ATOM 0 HD2 HIS A 6 -0.385 -3.578 -21.351 1.00 2.05 H new ATOM 0 HE1 HIS A 6 1.501 -6.031 -24.250 1.00 71.04 H new ATOM 0 HE2 HIS A 6 -0.726 -5.382 -23.204 1.00 34.31 H new ATOM 99 N HIS A 7 2.592 -5.258 -18.356 1.00 33.32 N ATOM 100 CA HIS A 7 3.114 -6.558 -17.967 1.00 21.43 C ATOM 101 C HIS A 7 1.965 -7.522 -17.705 1.00 61.44 C ATOM 102 O HIS A 7 0.959 -7.148 -17.103 1.00 41.21 O ATOM 103 CB HIS A 7 3.995 -6.413 -16.719 1.00 14.30 C ATOM 104 CG HIS A 7 4.771 -7.649 -16.360 1.00 42.24 C ATOM 105 ND1 HIS A 7 5.920 -8.032 -17.016 1.00 24.41 N ATOM 106 CD2 HIS A 7 4.569 -8.575 -15.393 1.00 71.11 C ATOM 107 CE1 HIS A 7 6.393 -9.136 -16.468 1.00 4.53 C ATOM 108 NE2 HIS A 7 5.592 -9.488 -15.480 1.00 64.30 N ATOM 0 H HIS A 7 1.792 -4.946 -17.806 1.00 33.32 H new ATOM 0 HA HIS A 7 3.723 -6.959 -18.777 1.00 21.43 H new ATOM 0 HB2 HIS A 7 4.695 -5.592 -16.877 1.00 14.30 H new ATOM 0 HB3 HIS A 7 3.364 -6.136 -15.874 1.00 14.30 H new ATOM 0 HD2 HIS A 7 3.754 -8.593 -14.684 1.00 71.11 H new ATOM 0 HE1 HIS A 7 7.285 -9.662 -16.776 1.00 4.53 H new ATOM 0 HE2 HIS A 7 5.713 -10.304 -14.880 1.00 64.30 H new ATOM 117 N HIS A 8 2.114 -8.750 -18.175 1.00 73.14 N ATOM 118 CA HIS A 8 1.088 -9.767 -18.002 1.00 62.51 C ATOM 119 C HIS A 8 1.349 -10.571 -16.741 1.00 0.24 C ATOM 120 O HIS A 8 2.501 -10.830 -16.392 1.00 41.23 O ATOM 121 CB HIS A 8 1.044 -10.711 -19.209 1.00 51.03 C ATOM 122 CG HIS A 8 0.600 -10.055 -20.479 1.00 4.52 C ATOM 123 ND1 HIS A 8 -0.699 -10.099 -20.930 1.00 43.11 N ATOM 124 CD2 HIS A 8 1.291 -9.346 -21.401 1.00 61.14 C ATOM 125 CE1 HIS A 8 -0.788 -9.446 -22.074 1.00 53.44 C ATOM 126 NE2 HIS A 8 0.406 -8.979 -22.383 1.00 20.30 N ATOM 0 H HIS A 8 2.940 -9.068 -18.682 1.00 73.14 H new ATOM 0 HA HIS A 8 0.126 -9.261 -17.916 1.00 62.51 H new ATOM 0 HB2 HIS A 8 2.036 -11.138 -19.360 1.00 51.03 H new ATOM 0 HB3 HIS A 8 0.371 -11.539 -18.985 1.00 51.03 H new ATOM 0 HD2 HIS A 8 2.345 -9.112 -21.370 1.00 61.14 H new ATOM 0 HE1 HIS A 8 -1.687 -9.316 -22.658 1.00 53.44 H new ATOM 0 HE2 HIS A 8 0.634 -8.435 -23.215 1.00 20.30 H new ATOM 135 N SER A 9 0.284 -10.952 -16.054 1.00 53.44 N ATOM 136 CA SER A 9 0.408 -11.756 -14.850 1.00 43.32 C ATOM 137 C SER A 9 -0.886 -12.500 -14.551 1.00 62.11 C ATOM 138 O SER A 9 -1.840 -11.926 -14.026 1.00 51.32 O ATOM 139 CB SER A 9 0.793 -10.879 -13.652 1.00 75.42 C ATOM 140 OG SER A 9 0.936 -11.656 -12.474 1.00 44.43 O ATOM 0 H SER A 9 -0.675 -10.717 -16.310 1.00 53.44 H new ATOM 0 HA SER A 9 1.196 -12.489 -15.021 1.00 43.32 H new ATOM 0 HB2 SER A 9 1.727 -10.359 -13.864 1.00 75.42 H new ATOM 0 HB3 SER A 9 0.031 -10.115 -13.497 1.00 75.42 H new ATOM 0 HG SER A 9 1.183 -11.073 -11.726 1.00 44.43 H new ATOM 146 N HIS A 10 -0.923 -13.776 -14.904 1.00 15.54 N ATOM 147 CA HIS A 10 -2.042 -14.629 -14.531 1.00 31.24 C ATOM 148 C HIS A 10 -1.716 -15.333 -13.213 1.00 41.45 C ATOM 149 O HIS A 10 -2.509 -16.110 -12.688 1.00 14.33 O ATOM 150 CB HIS A 10 -2.343 -15.647 -15.641 1.00 62.54 C ATOM 151 CG HIS A 10 -3.615 -16.423 -15.441 1.00 52.53 C ATOM 152 ND1 HIS A 10 -3.851 -17.644 -16.032 1.00 3.02 N ATOM 153 CD2 HIS A 10 -4.726 -16.147 -14.711 1.00 54.22 C ATOM 154 CE1 HIS A 10 -5.041 -18.082 -15.676 1.00 2.22 C ATOM 155 NE2 HIS A 10 -5.594 -17.197 -14.873 1.00 52.22 N ATOM 0 H HIS A 10 -0.195 -14.242 -15.446 1.00 15.54 H new ATOM 0 HA HIS A 10 -2.935 -14.019 -14.398 1.00 31.24 H new ATOM 0 HB2 HIS A 10 -2.398 -15.122 -16.594 1.00 62.54 H new ATOM 0 HB3 HIS A 10 -1.511 -16.348 -15.711 1.00 62.54 H new ATOM 0 HD2 HIS A 10 -4.895 -15.264 -14.113 1.00 54.22 H new ATOM 0 HE1 HIS A 10 -5.489 -19.013 -15.991 1.00 2.22 H new ATOM 0 HE2 HIS A 10 -6.515 -17.279 -14.443 1.00 52.22 H new ATOM 164 N GLY A 11 -0.532 -15.050 -12.688 1.00 22.13 N ATOM 165 CA GLY A 11 -0.146 -15.585 -11.399 1.00 45.34 C ATOM 166 C GLY A 11 -0.769 -14.797 -10.265 1.00 11.34 C ATOM 167 O GLY A 11 -1.146 -15.363 -9.239 1.00 74.12 O ATOM 0 H GLY A 11 0.169 -14.458 -13.133 1.00 22.13 H new ATOM 0 HA2 GLY A 11 -0.452 -16.629 -11.330 1.00 45.34 H new ATOM 0 HA3 GLY A 11 0.940 -15.564 -11.305 1.00 45.34 H new ATOM 171 N ASP A 12 -0.891 -13.485 -10.474 1.00 65.33 N ATOM 172 CA ASP A 12 -1.501 -12.585 -9.491 1.00 64.44 C ATOM 173 C ASP A 12 -0.698 -12.605 -8.191 1.00 12.32 C ATOM 174 O ASP A 12 -1.248 -12.619 -7.091 1.00 1.13 O ATOM 175 CB ASP A 12 -2.968 -12.978 -9.250 1.00 1.21 C ATOM 176 CG ASP A 12 -3.742 -11.966 -8.425 1.00 62.14 C ATOM 177 OD1 ASP A 12 -3.556 -10.745 -8.627 1.00 12.52 O ATOM 178 OD2 ASP A 12 -4.584 -12.386 -7.602 1.00 12.41 O ATOM 0 H ASP A 12 -0.573 -13.018 -11.323 1.00 65.33 H new ATOM 0 HA ASP A 12 -1.487 -11.567 -9.880 1.00 64.44 H new ATOM 0 HB2 ASP A 12 -3.464 -13.105 -10.212 1.00 1.21 H new ATOM 0 HB3 ASP A 12 -2.998 -13.944 -8.746 1.00 1.21 H new ATOM 183 N ASP A 13 0.625 -12.610 -8.342 1.00 32.31 N ATOM 184 CA ASP A 13 1.544 -12.583 -7.201 1.00 14.24 C ATOM 185 C ASP A 13 1.377 -11.296 -6.414 1.00 41.12 C ATOM 186 O ASP A 13 1.632 -11.252 -5.212 1.00 14.42 O ATOM 187 CB ASP A 13 3.000 -12.672 -7.671 1.00 72.31 C ATOM 188 CG ASP A 13 3.275 -13.858 -8.564 1.00 13.22 C ATOM 189 OD1 ASP A 13 2.962 -13.777 -9.775 1.00 2.31 O ATOM 190 OD2 ASP A 13 3.840 -14.857 -8.081 1.00 11.12 O ATOM 0 H ASP A 13 1.089 -12.633 -9.250 1.00 32.31 H new ATOM 0 HA ASP A 13 1.307 -13.440 -6.571 1.00 14.24 H new ATOM 0 HB2 ASP A 13 3.257 -11.758 -8.206 1.00 72.31 H new ATOM 0 HB3 ASP A 13 3.652 -12.725 -6.799 1.00 72.31 H new ATOM 195 N SER A 14 0.965 -10.248 -7.113 1.00 52.51 N ATOM 196 CA SER A 14 0.818 -8.932 -6.521 1.00 14.31 C ATOM 197 C SER A 14 -0.182 -8.953 -5.371 1.00 42.42 C ATOM 198 O SER A 14 -1.323 -9.395 -5.527 1.00 44.32 O ATOM 199 CB SER A 14 0.373 -7.932 -7.589 1.00 43.03 C ATOM 200 OG SER A 14 1.283 -7.915 -8.681 1.00 3.33 O ATOM 0 H SER A 14 0.725 -10.289 -8.103 1.00 52.51 H new ATOM 0 HA SER A 14 1.784 -8.627 -6.119 1.00 14.31 H new ATOM 0 HB2 SER A 14 -0.623 -8.194 -7.945 1.00 43.03 H new ATOM 0 HB3 SER A 14 0.304 -6.935 -7.153 1.00 43.03 H new ATOM 0 HG SER A 14 0.977 -7.270 -9.352 1.00 3.33 H new ATOM 206 N VAL A 15 0.261 -8.492 -4.213 1.00 13.50 N ATOM 207 CA VAL A 15 -0.614 -8.375 -3.065 1.00 51.44 C ATOM 208 C VAL A 15 -1.609 -7.248 -3.295 1.00 62.13 C ATOM 209 O VAL A 15 -1.254 -6.189 -3.813 1.00 3.11 O ATOM 210 CB VAL A 15 0.170 -8.137 -1.759 1.00 53.03 C ATOM 211 CG1 VAL A 15 1.002 -9.360 -1.408 1.00 4.44 C ATOM 212 CG2 VAL A 15 1.057 -6.905 -1.866 1.00 43.44 C ATOM 0 H VAL A 15 1.222 -8.193 -4.046 1.00 13.50 H new ATOM 0 HA VAL A 15 -1.146 -9.320 -2.953 1.00 51.44 H new ATOM 0 HB VAL A 15 -0.552 -7.964 -0.961 1.00 53.03 H new ATOM 0 HG11 VAL A 15 1.549 -9.175 -0.484 1.00 4.44 H new ATOM 0 HG12 VAL A 15 0.346 -10.220 -1.275 1.00 4.44 H new ATOM 0 HG13 VAL A 15 1.708 -9.563 -2.213 1.00 4.44 H new ATOM 0 HG21 VAL A 15 1.597 -6.763 -0.930 1.00 43.44 H new ATOM 0 HG22 VAL A 15 1.770 -7.039 -2.679 1.00 43.44 H new ATOM 0 HG23 VAL A 15 0.440 -6.029 -2.065 1.00 43.44 H new ATOM 222 N HIS A 16 -2.855 -7.481 -2.937 1.00 13.42 N ATOM 223 CA HIS A 16 -3.906 -6.518 -3.213 1.00 33.23 C ATOM 224 C HIS A 16 -4.100 -5.599 -2.020 1.00 1.11 C ATOM 225 O HIS A 16 -4.954 -5.837 -1.165 1.00 34.00 O ATOM 226 CB HIS A 16 -5.216 -7.229 -3.566 1.00 45.11 C ATOM 227 CG HIS A 16 -5.053 -8.323 -4.581 1.00 42.14 C ATOM 228 ND1 HIS A 16 -5.188 -9.656 -4.267 1.00 1.34 N ATOM 229 CD2 HIS A 16 -4.751 -8.278 -5.902 1.00 11.34 C ATOM 230 CE1 HIS A 16 -4.975 -10.384 -5.348 1.00 42.01 C ATOM 231 NE2 HIS A 16 -4.707 -9.575 -6.355 1.00 14.11 N ATOM 0 H HIS A 16 -3.166 -8.325 -2.456 1.00 13.42 H new ATOM 0 HA HIS A 16 -3.607 -5.916 -4.072 1.00 33.23 H new ATOM 0 HB2 HIS A 16 -5.647 -7.649 -2.658 1.00 45.11 H new ATOM 0 HB3 HIS A 16 -5.927 -6.495 -3.946 1.00 45.11 H new ATOM 0 HD1 HIS A 16 -5.417 -10.024 -3.344 1.00 1.34 H new ATOM 0 HD2 HIS A 16 -4.577 -7.388 -6.489 1.00 11.34 H new ATOM 0 HE1 HIS A 16 -5.014 -11.462 -5.399 1.00 42.01 H new ATOM 0 HE2 HIS A 16 -4.501 -9.864 -7.311 1.00 14.11 H new ATOM 240 N LEU A 17 -3.276 -4.569 -1.947 1.00 24.34 N ATOM 241 CA LEU A 17 -3.361 -3.603 -0.868 1.00 4.32 C ATOM 242 C LEU A 17 -4.171 -2.394 -1.314 1.00 13.54 C ATOM 243 O LEU A 17 -3.702 -1.578 -2.108 1.00 75.21 O ATOM 244 CB LEU A 17 -1.961 -3.177 -0.421 1.00 5.42 C ATOM 245 CG LEU A 17 -1.082 -4.300 0.134 1.00 63.44 C ATOM 246 CD1 LEU A 17 0.289 -3.761 0.513 1.00 24.43 C ATOM 247 CD2 LEU A 17 -1.752 -4.957 1.335 1.00 53.23 C ATOM 0 H LEU A 17 -2.538 -4.380 -2.625 1.00 24.34 H new ATOM 0 HA LEU A 17 -3.864 -4.067 -0.019 1.00 4.32 H new ATOM 0 HB2 LEU A 17 -1.449 -2.723 -1.269 1.00 5.42 H new ATOM 0 HB3 LEU A 17 -2.060 -2.405 0.342 1.00 5.42 H new ATOM 0 HG LEU A 17 -0.952 -5.055 -0.641 1.00 63.44 H new ATOM 0 HD11 LEU A 17 0.903 -4.572 0.906 1.00 24.43 H new ATOM 0 HD12 LEU A 17 0.770 -3.337 -0.369 1.00 24.43 H new ATOM 0 HD13 LEU A 17 0.179 -2.988 1.273 1.00 24.43 H new ATOM 0 HD21 LEU A 17 -1.113 -5.753 1.717 1.00 53.23 H new ATOM 0 HD22 LEU A 17 -1.910 -4.213 2.115 1.00 53.23 H new ATOM 0 HD23 LEU A 17 -2.712 -5.375 1.032 1.00 53.23 H new ATOM 259 N HIS A 18 -5.393 -2.294 -0.816 1.00 65.31 N ATOM 260 CA HIS A 18 -6.289 -1.220 -1.215 1.00 33.43 C ATOM 261 C HIS A 18 -5.957 0.067 -0.477 1.00 24.00 C ATOM 262 O HIS A 18 -5.900 0.097 0.753 1.00 44.43 O ATOM 263 CB HIS A 18 -7.749 -1.607 -0.972 1.00 2.40 C ATOM 264 CG HIS A 18 -8.272 -2.611 -1.951 1.00 71.21 C ATOM 265 ND1 HIS A 18 -9.502 -2.493 -2.558 1.00 12.05 N ATOM 266 CD2 HIS A 18 -7.730 -3.758 -2.425 1.00 43.33 C ATOM 267 CE1 HIS A 18 -9.696 -3.524 -3.359 1.00 2.11 C ATOM 268 NE2 HIS A 18 -8.635 -4.303 -3.295 1.00 34.34 N ATOM 0 H HIS A 18 -5.787 -2.943 -0.135 1.00 65.31 H new ATOM 0 HA HIS A 18 -6.150 -1.052 -2.283 1.00 33.43 H new ATOM 0 HB2 HIS A 18 -7.847 -2.010 0.036 1.00 2.40 H new ATOM 0 HB3 HIS A 18 -8.367 -0.710 -1.018 1.00 2.40 H new ATOM 0 HD2 HIS A 18 -6.764 -4.166 -2.165 1.00 43.33 H new ATOM 0 HE1 HIS A 18 -10.574 -3.699 -3.963 1.00 2.11 H new ATOM 0 HE2 HIS A 18 -8.508 -5.173 -3.812 1.00 34.34 H new ATOM 277 N ILE A 19 -5.746 1.123 -1.241 1.00 51.41 N ATOM 278 CA ILE A 19 -5.381 2.410 -0.684 1.00 43.45 C ATOM 279 C ILE A 19 -6.624 3.182 -0.266 1.00 74.12 C ATOM 280 O ILE A 19 -7.508 3.454 -1.081 1.00 40.04 O ATOM 281 CB ILE A 19 -4.570 3.247 -1.695 1.00 42.21 C ATOM 282 CG1 ILE A 19 -3.286 2.503 -2.083 1.00 24.14 C ATOM 283 CG2 ILE A 19 -4.243 4.621 -1.113 1.00 4.24 C ATOM 284 CD1 ILE A 19 -2.470 3.203 -3.149 1.00 12.35 C ATOM 0 H ILE A 19 -5.822 1.112 -2.258 1.00 51.41 H new ATOM 0 HA ILE A 19 -4.759 2.225 0.192 1.00 43.45 H new ATOM 0 HB ILE A 19 -5.172 3.394 -2.592 1.00 42.21 H new ATOM 0 HG12 ILE A 19 -2.669 2.374 -1.193 1.00 24.14 H new ATOM 0 HG13 ILE A 19 -3.548 1.506 -2.436 1.00 24.14 H new ATOM 0 HG21 ILE A 19 -3.671 5.197 -1.840 1.00 4.24 H new ATOM 0 HG22 ILE A 19 -5.169 5.147 -0.880 1.00 4.24 H new ATOM 0 HG23 ILE A 19 -3.656 4.500 -0.203 1.00 4.24 H new ATOM 0 HD11 ILE A 19 -1.578 2.616 -3.369 1.00 12.35 H new ATOM 0 HD12 ILE A 19 -3.068 3.308 -4.054 1.00 12.35 H new ATOM 0 HD13 ILE A 19 -2.175 4.190 -2.792 1.00 12.35 H new ATOM 296 N THR A 20 -6.692 3.516 1.009 1.00 64.12 N ATOM 297 CA THR A 20 -7.796 4.293 1.537 1.00 50.31 C ATOM 298 C THR A 20 -7.397 5.762 1.597 1.00 72.52 C ATOM 299 O THR A 20 -6.780 6.214 2.563 1.00 61.01 O ATOM 300 CB THR A 20 -8.196 3.804 2.939 1.00 42.32 C ATOM 301 OG1 THR A 20 -8.214 2.373 2.956 1.00 35.31 O ATOM 302 CG2 THR A 20 -9.570 4.334 3.329 1.00 22.20 C ATOM 0 H THR A 20 -5.990 3.259 1.702 1.00 64.12 H new ATOM 0 HA THR A 20 -8.655 4.169 0.877 1.00 50.31 H new ATOM 0 HB THR A 20 -7.466 4.177 3.657 1.00 42.32 H new ATOM 0 HG1 THR A 20 -9.060 2.061 3.341 1.00 35.31 H new ATOM 0 HG21 THR A 20 -9.830 3.974 4.324 1.00 22.20 H new ATOM 0 HG22 THR A 20 -9.553 5.424 3.330 1.00 22.20 H new ATOM 0 HG23 THR A 20 -10.312 3.984 2.612 1.00 22.20 H new ATOM 310 N HIS A 21 -7.714 6.486 0.537 1.00 11.32 N ATOM 311 CA HIS A 21 -7.325 7.882 0.412 1.00 60.22 C ATOM 312 C HIS A 21 -8.295 8.772 1.187 1.00 63.12 C ATOM 313 O HIS A 21 -9.508 8.665 1.022 1.00 24.14 O ATOM 314 CB HIS A 21 -7.291 8.264 -1.070 1.00 42.43 C ATOM 315 CG HIS A 21 -6.595 9.556 -1.360 1.00 31.13 C ATOM 316 ND1 HIS A 21 -7.017 10.433 -2.332 1.00 13.04 N ATOM 317 CD2 HIS A 21 -5.486 10.102 -0.817 1.00 64.13 C ATOM 318 CE1 HIS A 21 -6.195 11.466 -2.372 1.00 50.44 C ATOM 319 NE2 HIS A 21 -5.258 11.294 -1.459 1.00 73.43 N ATOM 0 H HIS A 21 -8.245 6.127 -0.257 1.00 11.32 H new ATOM 0 HA HIS A 21 -6.331 8.026 0.835 1.00 60.22 H new ATOM 0 HB2 HIS A 21 -6.798 7.467 -1.627 1.00 42.43 H new ATOM 0 HB3 HIS A 21 -8.314 8.326 -1.440 1.00 42.43 H new ATOM 0 HD2 HIS A 21 -4.888 9.679 -0.023 1.00 64.13 H new ATOM 0 HE1 HIS A 21 -6.276 12.310 -3.040 1.00 50.44 H new ATOM 0 HE2 HIS A 21 -4.492 11.939 -1.263 1.00 73.43 H new ATOM 328 N ALA A 22 -7.751 9.646 2.032 1.00 65.11 N ATOM 329 CA ALA A 22 -8.571 10.464 2.919 1.00 21.34 C ATOM 330 C ALA A 22 -9.303 11.571 2.164 1.00 25.13 C ATOM 331 O ALA A 22 -10.527 11.667 2.231 1.00 3.31 O ATOM 332 CB ALA A 22 -7.715 11.055 4.029 1.00 20.13 C ATOM 0 H ALA A 22 -6.747 9.805 2.120 1.00 65.11 H new ATOM 0 HA ALA A 22 -9.329 9.815 3.357 1.00 21.34 H new ATOM 0 HB1 ALA A 22 -8.338 11.663 4.684 1.00 20.13 H new ATOM 0 HB2 ALA A 22 -7.260 10.250 4.606 1.00 20.13 H new ATOM 0 HB3 ALA A 22 -6.932 11.676 3.593 1.00 20.13 H new ATOM 338 N ASN A 23 -8.548 12.407 1.460 1.00 72.15 N ATOM 339 CA ASN A 23 -9.126 13.534 0.725 1.00 4.45 C ATOM 340 C ASN A 23 -10.098 13.062 -0.350 1.00 3.22 C ATOM 341 O ASN A 23 -11.286 13.387 -0.314 1.00 50.31 O ATOM 342 CB ASN A 23 -8.019 14.392 0.104 1.00 35.22 C ATOM 343 CG ASN A 23 -7.414 15.364 1.100 1.00 74.23 C ATOM 344 OD1 ASN A 23 -7.483 15.156 2.312 1.00 63.05 O ATOM 345 ND2 ASN A 23 -6.806 16.425 0.601 1.00 3.20 N ATOM 0 H ASN A 23 -7.534 12.328 1.381 1.00 72.15 H new ATOM 0 HA ASN A 23 -9.686 14.141 1.436 1.00 4.45 H new ATOM 0 HB2 ASN A 23 -7.236 13.743 -0.287 1.00 35.22 H new ATOM 0 HB3 ASN A 23 -8.425 14.948 -0.741 1.00 35.22 H new ATOM 0 HD21 ASN A 23 -6.373 17.106 1.225 1.00 3.20 H new ATOM 0 HD22 ASN A 23 -6.769 16.564 -0.409 1.00 3.20 H new ATOM 352 N LEU A 24 -9.595 12.301 -1.306 1.00 13.04 N ATOM 353 CA LEU A 24 -10.448 11.723 -2.335 1.00 23.42 C ATOM 354 C LEU A 24 -10.805 10.295 -1.954 1.00 21.30 C ATOM 355 O LEU A 24 -10.101 9.354 -2.319 1.00 34.23 O ATOM 356 CB LEU A 24 -9.777 11.747 -3.717 1.00 43.22 C ATOM 357 CG LEU A 24 -9.700 13.119 -4.400 1.00 41.14 C ATOM 358 CD1 LEU A 24 -8.699 14.030 -3.709 1.00 72.41 C ATOM 359 CD2 LEU A 24 -9.345 12.957 -5.870 1.00 0.21 C ATOM 0 H LEU A 24 -8.606 12.068 -1.393 1.00 13.04 H new ATOM 0 HA LEU A 24 -11.352 12.328 -2.401 1.00 23.42 H new ATOM 0 HB2 LEU A 24 -8.765 11.356 -3.615 1.00 43.22 H new ATOM 0 HB3 LEU A 24 -10.317 11.065 -4.374 1.00 43.22 H new ATOM 0 HG LEU A 24 -10.682 13.587 -4.322 1.00 41.14 H new ATOM 0 HD11 LEU A 24 -8.671 14.993 -4.219 1.00 72.41 H new ATOM 0 HD12 LEU A 24 -8.998 14.178 -2.671 1.00 72.41 H new ATOM 0 HD13 LEU A 24 -7.710 13.574 -3.740 1.00 72.41 H new ATOM 0 HD21 LEU A 24 -9.294 13.938 -6.342 1.00 0.21 H new ATOM 0 HD22 LEU A 24 -8.379 12.461 -5.958 1.00 0.21 H new ATOM 0 HD23 LEU A 24 -10.108 12.356 -6.364 1.00 0.21 H new ATOM 371 N LYS A 25 -11.883 10.149 -1.197 1.00 50.40 N ATOM 372 CA LYS A 25 -12.289 8.852 -0.668 1.00 13.03 C ATOM 373 C LYS A 25 -13.141 8.075 -1.668 1.00 62.52 C ATOM 374 O LYS A 25 -13.479 6.913 -1.437 1.00 25.14 O ATOM 375 CB LYS A 25 -13.048 9.037 0.648 1.00 72.13 C ATOM 376 CG LYS A 25 -14.227 9.993 0.551 1.00 25.11 C ATOM 377 CD LYS A 25 -14.862 10.219 1.912 1.00 42.25 C ATOM 378 CE LYS A 25 -16.002 11.224 1.846 1.00 34.31 C ATOM 379 NZ LYS A 25 -17.155 10.724 1.050 1.00 63.42 N ATOM 0 H LYS A 25 -12.498 10.919 -0.933 1.00 50.40 H new ATOM 0 HA LYS A 25 -11.387 8.269 -0.484 1.00 13.03 H new ATOM 0 HB2 LYS A 25 -13.407 8.066 0.988 1.00 72.13 H new ATOM 0 HB3 LYS A 25 -12.356 9.404 1.406 1.00 72.13 H new ATOM 0 HG2 LYS A 25 -13.894 10.946 0.139 1.00 25.11 H new ATOM 0 HG3 LYS A 25 -14.970 9.590 -0.138 1.00 25.11 H new ATOM 0 HD2 LYS A 25 -15.235 9.271 2.300 1.00 42.25 H new ATOM 0 HD3 LYS A 25 -14.105 10.574 2.611 1.00 42.25 H new ATOM 0 HE2 LYS A 25 -16.336 11.457 2.857 1.00 34.31 H new ATOM 0 HE3 LYS A 25 -15.638 12.154 1.408 1.00 34.31 H new ATOM 0 HZ1 LYS A 25 -17.943 11.399 1.119 1.00 63.42 H new ATOM 0 HZ2 LYS A 25 -16.872 10.623 0.054 1.00 63.42 H new ATOM 0 HZ3 LYS A 25 -17.457 9.800 1.419 1.00 63.42 H new ATOM 393 N SER A 26 -13.488 8.716 -2.777 1.00 61.42 N ATOM 394 CA SER A 26 -14.246 8.052 -3.828 1.00 31.22 C ATOM 395 C SER A 26 -13.290 7.578 -4.918 1.00 55.11 C ATOM 396 O SER A 26 -13.703 7.011 -5.932 1.00 42.12 O ATOM 397 CB SER A 26 -15.301 9.002 -4.411 1.00 11.32 C ATOM 398 OG SER A 26 -16.296 8.292 -5.128 1.00 23.14 O ATOM 0 H SER A 26 -13.258 9.691 -2.971 1.00 61.42 H new ATOM 0 HA SER A 26 -14.765 7.190 -3.408 1.00 31.22 H new ATOM 0 HB2 SER A 26 -15.766 9.570 -3.605 1.00 11.32 H new ATOM 0 HB3 SER A 26 -14.819 9.723 -5.072 1.00 11.32 H new ATOM 0 HG SER A 26 -15.869 7.630 -5.711 1.00 23.14 H new ATOM 404 N PHE A 27 -12.005 7.818 -4.695 1.00 40.34 N ATOM 405 CA PHE A 27 -10.972 7.399 -5.626 1.00 15.32 C ATOM 406 C PHE A 27 -10.402 6.056 -5.186 1.00 61.05 C ATOM 407 O PHE A 27 -9.562 5.989 -4.285 1.00 25.14 O ATOM 408 CB PHE A 27 -9.867 8.460 -5.701 1.00 62.24 C ATOM 409 CG PHE A 27 -8.782 8.150 -6.693 1.00 10.01 C ATOM 410 CD1 PHE A 27 -9.027 8.223 -8.053 1.00 40.50 C ATOM 411 CD2 PHE A 27 -7.513 7.793 -6.261 1.00 41.14 C ATOM 412 CE1 PHE A 27 -8.028 7.945 -8.966 1.00 53.53 C ATOM 413 CE2 PHE A 27 -6.512 7.512 -7.168 1.00 41.33 C ATOM 414 CZ PHE A 27 -6.769 7.589 -8.522 1.00 11.22 C ATOM 0 H PHE A 27 -11.654 8.305 -3.870 1.00 40.34 H new ATOM 0 HA PHE A 27 -11.405 7.287 -6.620 1.00 15.32 H new ATOM 0 HB2 PHE A 27 -10.316 9.419 -5.959 1.00 62.24 H new ATOM 0 HB3 PHE A 27 -9.420 8.573 -4.714 1.00 62.24 H new ATOM 0 HD1 PHE A 27 -10.010 8.500 -8.405 1.00 40.50 H new ATOM 0 HD2 PHE A 27 -7.306 7.734 -5.203 1.00 41.14 H new ATOM 0 HE1 PHE A 27 -8.231 8.006 -10.025 1.00 53.53 H new ATOM 0 HE2 PHE A 27 -5.529 7.232 -6.819 1.00 41.33 H new ATOM 0 HZ PHE A 27 -5.987 7.371 -9.234 1.00 11.22 H new ATOM 424 N SER A 28 -10.882 4.990 -5.806 1.00 14.23 N ATOM 425 CA SER A 28 -10.470 3.651 -5.443 1.00 3.01 C ATOM 426 C SER A 28 -9.201 3.256 -6.185 1.00 12.14 C ATOM 427 O SER A 28 -9.233 2.938 -7.376 1.00 73.25 O ATOM 428 CB SER A 28 -11.590 2.656 -5.747 1.00 44.40 C ATOM 429 OG SER A 28 -12.788 3.017 -5.081 1.00 72.41 O ATOM 0 H SER A 28 -11.561 5.031 -6.566 1.00 14.23 H new ATOM 0 HA SER A 28 -10.260 3.634 -4.373 1.00 3.01 H new ATOM 0 HB2 SER A 28 -11.765 2.618 -6.822 1.00 44.40 H new ATOM 0 HB3 SER A 28 -11.286 1.656 -5.438 1.00 44.40 H new ATOM 0 HG SER A 28 -13.489 2.366 -5.293 1.00 72.41 H new ATOM 435 N ALA A 29 -8.084 3.304 -5.482 1.00 23.00 N ATOM 436 CA ALA A 29 -6.818 2.868 -6.034 1.00 41.13 C ATOM 437 C ALA A 29 -6.221 1.785 -5.152 1.00 35.32 C ATOM 438 O ALA A 29 -6.337 1.841 -3.929 1.00 53.51 O ATOM 439 CB ALA A 29 -5.857 4.039 -6.168 1.00 4.03 C ATOM 0 H ALA A 29 -8.030 3.643 -4.522 1.00 23.00 H new ATOM 0 HA ALA A 29 -6.990 2.460 -7.030 1.00 41.13 H new ATOM 0 HB1 ALA A 29 -4.913 3.689 -6.585 1.00 4.03 H new ATOM 0 HB2 ALA A 29 -6.289 4.790 -6.829 1.00 4.03 H new ATOM 0 HB3 ALA A 29 -5.680 4.478 -5.186 1.00 4.03 H new ATOM 445 N ASP A 30 -5.606 0.791 -5.765 1.00 62.31 N ATOM 446 CA ASP A 30 -4.955 -0.268 -5.010 1.00 65.32 C ATOM 447 C ASP A 30 -3.513 -0.411 -5.455 1.00 12.52 C ATOM 448 O ASP A 30 -3.187 -0.191 -6.623 1.00 30.41 O ATOM 449 CB ASP A 30 -5.696 -1.606 -5.160 1.00 62.44 C ATOM 450 CG ASP A 30 -5.666 -2.165 -6.570 1.00 12.32 C ATOM 451 OD1 ASP A 30 -6.585 -1.856 -7.359 1.00 31.32 O ATOM 452 OD2 ASP A 30 -4.748 -2.944 -6.891 1.00 21.30 O ATOM 0 H ASP A 30 -5.542 0.693 -6.778 1.00 62.31 H new ATOM 0 HA ASP A 30 -4.980 0.006 -3.955 1.00 65.32 H new ATOM 0 HB2 ASP A 30 -5.254 -2.334 -4.480 1.00 62.44 H new ATOM 0 HB3 ASP A 30 -6.733 -1.473 -4.853 1.00 62.44 H new ATOM 457 N ALA A 31 -2.649 -0.745 -4.515 1.00 11.11 N ATOM 458 CA ALA A 31 -1.247 -0.949 -4.812 1.00 44.13 C ATOM 459 C ALA A 31 -0.998 -2.414 -5.114 1.00 52.41 C ATOM 460 O ALA A 31 -0.820 -3.224 -4.203 1.00 73.44 O ATOM 461 CB ALA A 31 -0.376 -0.486 -3.655 1.00 13.22 C ATOM 0 H ALA A 31 -2.897 -0.881 -3.535 1.00 11.11 H new ATOM 0 HA ALA A 31 -0.983 -0.355 -5.687 1.00 44.13 H new ATOM 0 HB1 ALA A 31 0.673 -0.649 -3.901 1.00 13.22 H new ATOM 0 HB2 ALA A 31 -0.545 0.575 -3.474 1.00 13.22 H new ATOM 0 HB3 ALA A 31 -0.631 -1.052 -2.759 1.00 13.22 H new ATOM 467 N ARG A 32 -1.021 -2.759 -6.390 1.00 22.51 N ATOM 468 CA ARG A 32 -0.836 -4.137 -6.803 1.00 23.43 C ATOM 469 C ARG A 32 0.584 -4.355 -7.309 1.00 22.20 C ATOM 470 O ARG A 32 0.895 -4.145 -8.481 1.00 2.40 O ATOM 471 CB ARG A 32 -1.875 -4.530 -7.862 1.00 12.14 C ATOM 472 CG ARG A 32 -1.875 -3.647 -9.101 1.00 72.45 C ATOM 473 CD ARG A 32 -3.011 -4.008 -10.038 1.00 73.14 C ATOM 474 NE ARG A 32 -4.316 -3.702 -9.453 1.00 53.20 N ATOM 475 CZ ARG A 32 -5.479 -3.982 -10.036 1.00 15.20 C ATOM 476 NH1 ARG A 32 -5.510 -4.699 -11.154 1.00 2.02 N ATOM 477 NH2 ARG A 32 -6.615 -3.577 -9.482 1.00 11.54 N ATOM 0 H ARG A 32 -1.166 -2.103 -7.157 1.00 22.51 H new ATOM 0 HA ARG A 32 -0.986 -4.783 -5.938 1.00 23.43 H new ATOM 0 HB2 ARG A 32 -1.694 -5.561 -8.166 1.00 12.14 H new ATOM 0 HB3 ARG A 32 -2.866 -4.500 -7.410 1.00 12.14 H new ATOM 0 HG2 ARG A 32 -1.964 -2.602 -8.805 1.00 72.45 H new ATOM 0 HG3 ARG A 32 -0.924 -3.750 -9.623 1.00 72.45 H new ATOM 0 HD2 ARG A 32 -2.896 -3.463 -10.975 1.00 73.14 H new ATOM 0 HD3 ARG A 32 -2.960 -5.070 -10.278 1.00 73.14 H new ATOM 0 HE ARG A 32 -4.336 -3.245 -8.541 1.00 53.20 H new ATOM 0 HH11 ARG A 32 -4.641 -5.036 -11.568 1.00 2.02 H new ATOM 0 HH12 ARG A 32 -6.403 -4.912 -11.599 1.00 2.02 H new ATOM 0 HH21 ARG A 32 -6.597 -3.051 -8.609 1.00 11.54 H new ATOM 0 HH22 ARG A 32 -7.506 -3.792 -9.930 1.00 11.54 H new ATOM 491 N PHE A 33 1.458 -4.743 -6.400 1.00 53.43 N ATOM 492 CA PHE A 33 2.845 -4.994 -6.738 1.00 64.10 C ATOM 493 C PHE A 33 3.278 -6.337 -6.180 1.00 20.04 C ATOM 494 O PHE A 33 2.746 -6.799 -5.170 1.00 71.21 O ATOM 495 CB PHE A 33 3.746 -3.881 -6.195 1.00 23.23 C ATOM 496 CG PHE A 33 3.526 -2.549 -6.857 1.00 11.21 C ATOM 497 CD1 PHE A 33 4.158 -2.244 -8.051 1.00 31.15 C ATOM 498 CD2 PHE A 33 2.689 -1.603 -6.283 1.00 4.03 C ATOM 499 CE1 PHE A 33 3.961 -1.020 -8.662 1.00 4.32 C ATOM 500 CE2 PHE A 33 2.488 -0.379 -6.891 1.00 0.45 C ATOM 501 CZ PHE A 33 3.124 -0.087 -8.082 1.00 4.44 C ATOM 0 H PHE A 33 1.230 -4.892 -5.417 1.00 53.43 H new ATOM 0 HA PHE A 33 2.940 -5.011 -7.824 1.00 64.10 H new ATOM 0 HB2 PHE A 33 3.575 -3.777 -5.124 1.00 23.23 H new ATOM 0 HB3 PHE A 33 4.788 -4.173 -6.324 1.00 23.23 H new ATOM 0 HD1 PHE A 33 4.812 -2.971 -8.510 1.00 31.15 H new ATOM 0 HD2 PHE A 33 2.190 -1.826 -5.352 1.00 4.03 H new ATOM 0 HE1 PHE A 33 4.461 -0.793 -9.592 1.00 4.32 H new ATOM 0 HE2 PHE A 33 1.834 0.349 -6.435 1.00 0.45 H new ATOM 0 HZ PHE A 33 2.967 0.869 -8.559 1.00 4.44 H new ATOM 511 N SER A 34 4.223 -6.970 -6.855 1.00 34.25 N ATOM 512 CA SER A 34 4.767 -8.230 -6.394 1.00 11.34 C ATOM 513 C SER A 34 5.506 -8.025 -5.074 1.00 3.22 C ATOM 514 O SER A 34 6.275 -7.072 -4.930 1.00 74.05 O ATOM 515 CB SER A 34 5.700 -8.811 -7.455 1.00 25.33 C ATOM 516 OG SER A 34 5.024 -8.951 -8.696 1.00 32.41 O ATOM 0 H SER A 34 4.628 -6.628 -7.726 1.00 34.25 H new ATOM 0 HA SER A 34 3.954 -8.936 -6.226 1.00 11.34 H new ATOM 0 HB2 SER A 34 6.567 -8.162 -7.579 1.00 25.33 H new ATOM 0 HB3 SER A 34 6.073 -9.781 -7.127 1.00 25.33 H new ATOM 0 HG SER A 34 5.638 -9.323 -9.363 1.00 32.41 H new ATOM 522 N PRO A 35 5.288 -8.919 -4.101 1.00 61.13 N ATOM 523 CA PRO A 35 5.833 -8.777 -2.740 1.00 65.31 C ATOM 524 C PRO A 35 7.347 -9.003 -2.664 1.00 53.43 C ATOM 525 O PRO A 35 7.897 -9.279 -1.599 1.00 51.41 O ATOM 526 CB PRO A 35 5.083 -9.857 -1.958 1.00 43.22 C ATOM 527 CG PRO A 35 4.751 -10.896 -2.970 1.00 2.30 C ATOM 528 CD PRO A 35 4.486 -10.152 -4.247 1.00 53.04 C ATOM 0 HA PRO A 35 5.697 -7.767 -2.354 1.00 65.31 H new ATOM 0 HB2 PRO A 35 5.700 -10.267 -1.158 1.00 43.22 H new ATOM 0 HB3 PRO A 35 4.183 -9.456 -1.493 1.00 43.22 H new ATOM 0 HG2 PRO A 35 5.574 -11.601 -3.091 1.00 2.30 H new ATOM 0 HG3 PRO A 35 3.878 -11.474 -2.666 1.00 2.30 H new ATOM 0 HD2 PRO A 35 4.793 -10.729 -5.119 1.00 53.04 H new ATOM 0 HD3 PRO A 35 3.426 -9.929 -4.369 1.00 53.04 H new ATOM 536 N GLN A 36 8.016 -8.864 -3.796 1.00 33.43 N ATOM 537 CA GLN A 36 9.461 -9.012 -3.860 1.00 73.50 C ATOM 538 C GLN A 36 10.126 -7.671 -3.576 1.00 34.41 C ATOM 539 O GLN A 36 11.335 -7.588 -3.360 1.00 43.25 O ATOM 540 CB GLN A 36 9.871 -9.528 -5.240 1.00 0.33 C ATOM 541 CG GLN A 36 9.150 -10.802 -5.647 1.00 43.33 C ATOM 542 CD GLN A 36 9.509 -11.255 -7.048 1.00 30.43 C ATOM 543 OE1 GLN A 36 10.616 -11.016 -7.525 1.00 2.03 O ATOM 544 NE2 GLN A 36 8.578 -11.919 -7.711 1.00 5.21 N ATOM 0 H GLN A 36 7.577 -8.647 -4.691 1.00 33.43 H new ATOM 0 HA GLN A 36 9.784 -9.733 -3.109 1.00 73.50 H new ATOM 0 HB2 GLN A 36 9.673 -8.755 -5.982 1.00 0.33 H new ATOM 0 HB3 GLN A 36 10.946 -9.710 -5.247 1.00 0.33 H new ATOM 0 HG2 GLN A 36 9.394 -11.595 -4.940 1.00 43.33 H new ATOM 0 HG3 GLN A 36 8.074 -10.641 -5.586 1.00 43.33 H new ATOM 0 HE21 GLN A 36 7.672 -12.096 -7.278 1.00 5.21 H new ATOM 0 HE22 GLN A 36 8.766 -12.254 -8.656 1.00 5.21 H new ATOM 553 N MET A 37 9.312 -6.626 -3.573 1.00 60.53 N ATOM 554 CA MET A 37 9.781 -5.273 -3.318 1.00 72.13 C ATOM 555 C MET A 37 9.582 -4.915 -1.849 1.00 73.52 C ATOM 556 O MET A 37 8.637 -5.380 -1.211 1.00 62.33 O ATOM 557 CB MET A 37 9.030 -4.285 -4.216 1.00 54.05 C ATOM 558 CG MET A 37 9.360 -2.826 -3.944 1.00 11.53 C ATOM 559 SD MET A 37 8.477 -1.698 -5.038 1.00 40.45 S ATOM 560 CE MET A 37 8.908 -0.121 -4.310 1.00 53.22 C ATOM 0 H MET A 37 8.309 -6.692 -3.747 1.00 60.53 H new ATOM 0 HA MET A 37 10.845 -5.216 -3.546 1.00 72.13 H new ATOM 0 HB2 MET A 37 9.259 -4.510 -5.258 1.00 54.05 H new ATOM 0 HB3 MET A 37 7.958 -4.434 -4.086 1.00 54.05 H new ATOM 0 HG2 MET A 37 9.114 -2.589 -2.909 1.00 11.53 H new ATOM 0 HG3 MET A 37 10.433 -2.673 -4.060 1.00 11.53 H new ATOM 0 HE1 MET A 37 8.114 0.600 -4.507 1.00 53.22 H new ATOM 0 HE2 MET A 37 9.033 -0.239 -3.234 1.00 53.22 H new ATOM 0 HE3 MET A 37 9.840 0.238 -4.746 1.00 53.22 H new ATOM 570 N SER A 38 10.486 -4.107 -1.317 1.00 71.35 N ATOM 571 CA SER A 38 10.397 -3.658 0.060 1.00 22.12 C ATOM 572 C SER A 38 9.774 -2.264 0.130 1.00 4.32 C ATOM 573 O SER A 38 9.938 -1.456 -0.790 1.00 21.13 O ATOM 574 CB SER A 38 11.794 -3.650 0.691 1.00 34.20 C ATOM 575 OG SER A 38 12.717 -2.938 -0.124 1.00 53.11 O ATOM 0 H SER A 38 11.295 -3.748 -1.824 1.00 71.35 H new ATOM 0 HA SER A 38 9.758 -4.345 0.615 1.00 22.12 H new ATOM 0 HB2 SER A 38 11.748 -3.193 1.679 1.00 34.20 H new ATOM 0 HB3 SER A 38 12.140 -4.674 0.829 1.00 34.20 H new ATOM 0 HG SER A 38 13.601 -2.945 0.300 1.00 53.11 H new ATOM 581 N VAL A 39 9.069 -1.983 1.222 1.00 73.40 N ATOM 582 CA VAL A 39 8.457 -0.671 1.427 1.00 33.12 C ATOM 583 C VAL A 39 9.541 0.407 1.545 1.00 5.21 C ATOM 584 O VAL A 39 9.298 1.591 1.300 1.00 25.13 O ATOM 585 CB VAL A 39 7.546 -0.661 2.681 1.00 71.22 C ATOM 586 CG1 VAL A 39 8.355 -0.832 3.956 1.00 54.15 C ATOM 587 CG2 VAL A 39 6.712 0.609 2.737 1.00 43.14 C ATOM 0 H VAL A 39 8.906 -2.646 1.980 1.00 73.40 H new ATOM 0 HA VAL A 39 7.832 -0.453 0.561 1.00 33.12 H new ATOM 0 HB VAL A 39 6.868 -1.511 2.602 1.00 71.22 H new ATOM 0 HG11 VAL A 39 7.685 -0.820 4.816 1.00 54.15 H new ATOM 0 HG12 VAL A 39 8.888 -1.782 3.924 1.00 54.15 H new ATOM 0 HG13 VAL A 39 9.073 -0.016 4.044 1.00 54.15 H new ATOM 0 HG21 VAL A 39 6.082 0.591 3.626 1.00 43.14 H new ATOM 0 HG22 VAL A 39 7.372 1.476 2.777 1.00 43.14 H new ATOM 0 HG23 VAL A 39 6.084 0.671 1.848 1.00 43.14 H new ATOM 597 N GLU A 40 10.741 -0.025 1.900 1.00 15.34 N ATOM 598 CA GLU A 40 11.902 0.846 1.986 1.00 11.35 C ATOM 599 C GLU A 40 12.171 1.545 0.650 1.00 21.25 C ATOM 600 O GLU A 40 12.550 2.717 0.613 1.00 0.40 O ATOM 601 CB GLU A 40 13.111 0.012 2.439 1.00 13.42 C ATOM 602 CG GLU A 40 14.473 0.656 2.215 1.00 3.44 C ATOM 603 CD GLU A 40 15.078 0.275 0.878 1.00 54.10 C ATOM 604 OE1 GLU A 40 15.261 -0.940 0.628 1.00 4.21 O ATOM 605 OE2 GLU A 40 15.367 1.181 0.068 1.00 24.34 O ATOM 0 H GLU A 40 10.938 -0.997 2.138 1.00 15.34 H new ATOM 0 HA GLU A 40 11.714 1.633 2.717 1.00 11.35 H new ATOM 0 HB2 GLU A 40 13.002 -0.206 3.501 1.00 13.42 H new ATOM 0 HB3 GLU A 40 13.089 -0.943 1.913 1.00 13.42 H new ATOM 0 HG2 GLU A 40 14.373 1.740 2.270 1.00 3.44 H new ATOM 0 HG3 GLU A 40 15.150 0.357 3.016 1.00 3.44 H new ATOM 612 N ALA A 41 11.927 0.838 -0.445 1.00 22.03 N ATOM 613 CA ALA A 41 12.280 1.337 -1.766 1.00 75.23 C ATOM 614 C ALA A 41 11.238 2.309 -2.319 1.00 20.03 C ATOM 615 O ALA A 41 11.518 3.056 -3.259 1.00 72.22 O ATOM 616 CB ALA A 41 12.474 0.178 -2.725 1.00 2.10 C ATOM 0 H ALA A 41 11.486 -0.082 -0.444 1.00 22.03 H new ATOM 0 HA ALA A 41 13.214 1.890 -1.665 1.00 75.23 H new ATOM 0 HB1 ALA A 41 12.738 0.562 -3.711 1.00 2.10 H new ATOM 0 HB2 ALA A 41 13.274 -0.466 -2.360 1.00 2.10 H new ATOM 0 HB3 ALA A 41 11.550 -0.395 -2.794 1.00 2.10 H new ATOM 622 N VAL A 42 10.040 2.304 -1.747 1.00 31.33 N ATOM 623 CA VAL A 42 8.962 3.140 -2.266 1.00 24.24 C ATOM 624 C VAL A 42 8.913 4.495 -1.556 1.00 20.53 C ATOM 625 O VAL A 42 8.520 5.499 -2.151 1.00 75.34 O ATOM 626 CB VAL A 42 7.581 2.436 -2.177 1.00 54.33 C ATOM 627 CG1 VAL A 42 7.127 2.265 -0.736 1.00 15.44 C ATOM 628 CG2 VAL A 42 6.533 3.192 -2.983 1.00 73.32 C ATOM 0 H VAL A 42 9.791 1.739 -0.935 1.00 31.33 H new ATOM 0 HA VAL A 42 9.182 3.309 -3.320 1.00 24.24 H new ATOM 0 HB VAL A 42 7.697 1.441 -2.606 1.00 54.33 H new ATOM 0 HG11 VAL A 42 6.157 1.769 -0.717 1.00 15.44 H new ATOM 0 HG12 VAL A 42 7.855 1.661 -0.195 1.00 15.44 H new ATOM 0 HG13 VAL A 42 7.044 3.243 -0.262 1.00 15.44 H new ATOM 0 HG21 VAL A 42 5.574 2.679 -2.905 1.00 73.32 H new ATOM 0 HG22 VAL A 42 6.435 4.205 -2.593 1.00 73.32 H new ATOM 0 HG23 VAL A 42 6.838 3.233 -4.029 1.00 73.32 H new ATOM 638 N LYS A 43 9.343 4.529 -0.294 1.00 34.20 N ATOM 639 CA LYS A 43 9.311 5.766 0.488 1.00 21.22 C ATOM 640 C LYS A 43 10.193 6.837 -0.142 1.00 65.44 C ATOM 641 O LYS A 43 9.744 7.954 -0.395 1.00 41.11 O ATOM 642 CB LYS A 43 9.751 5.502 1.928 1.00 24.42 C ATOM 643 CG LYS A 43 8.801 4.606 2.706 1.00 23.33 C ATOM 644 CD LYS A 43 7.424 5.237 2.869 1.00 65.55 C ATOM 645 CE LYS A 43 6.477 4.322 3.630 1.00 13.33 C ATOM 646 NZ LYS A 43 6.921 4.089 5.030 1.00 52.05 N ATOM 0 H LYS A 43 9.715 3.721 0.206 1.00 34.20 H new ATOM 0 HA LYS A 43 8.284 6.130 0.495 1.00 21.22 H new ATOM 0 HB2 LYS A 43 10.740 5.044 1.918 1.00 24.42 H new ATOM 0 HB3 LYS A 43 9.846 6.455 2.449 1.00 24.42 H new ATOM 0 HG2 LYS A 43 8.703 3.650 2.192 1.00 23.33 H new ATOM 0 HG3 LYS A 43 9.223 4.398 3.689 1.00 23.33 H new ATOM 0 HD2 LYS A 43 7.518 6.186 3.398 1.00 65.55 H new ATOM 0 HD3 LYS A 43 7.006 5.459 1.887 1.00 65.55 H new ATOM 0 HE2 LYS A 43 5.479 4.760 3.636 1.00 13.33 H new ATOM 0 HE3 LYS A 43 6.403 3.366 3.111 1.00 13.33 H new ATOM 0 HZ1 LYS A 43 6.174 3.589 5.553 1.00 52.05 H new ATOM 0 HZ2 LYS A 43 7.787 3.513 5.028 1.00 52.05 H new ATOM 0 HZ3 LYS A 43 7.114 5.002 5.490 1.00 52.05 H new ATOM 660 N GLU A 44 11.446 6.487 -0.407 1.00 54.02 N ATOM 661 CA GLU A 44 12.382 7.403 -1.044 1.00 70.32 C ATOM 662 C GLU A 44 11.861 7.851 -2.411 1.00 34.23 C ATOM 663 O GLU A 44 12.022 9.007 -2.807 1.00 23.00 O ATOM 664 CB GLU A 44 13.742 6.727 -1.208 1.00 61.13 C ATOM 665 CG GLU A 44 14.771 7.596 -1.913 1.00 53.21 C ATOM 666 CD GLU A 44 16.030 6.839 -2.263 1.00 21.24 C ATOM 667 OE1 GLU A 44 16.023 6.101 -3.269 1.00 21.15 O ATOM 668 OE2 GLU A 44 17.037 6.983 -1.540 1.00 70.34 O ATOM 0 H GLU A 44 11.838 5.571 -0.189 1.00 54.02 H new ATOM 0 HA GLU A 44 12.487 8.282 -0.408 1.00 70.32 H new ATOM 0 HB2 GLU A 44 14.123 6.452 -0.224 1.00 61.13 H new ATOM 0 HB3 GLU A 44 13.613 5.802 -1.770 1.00 61.13 H new ATOM 0 HG2 GLU A 44 14.333 8.005 -2.823 1.00 53.21 H new ATOM 0 HG3 GLU A 44 15.026 8.441 -1.274 1.00 53.21 H new ATOM 675 N LYS A 45 11.217 6.929 -3.115 1.00 1.22 N ATOM 676 CA LYS A 45 10.727 7.188 -4.461 1.00 74.11 C ATOM 677 C LYS A 45 9.604 8.226 -4.448 1.00 15.45 C ATOM 678 O LYS A 45 9.476 9.025 -5.375 1.00 21.10 O ATOM 679 CB LYS A 45 10.259 5.879 -5.103 1.00 3.33 C ATOM 680 CG LYS A 45 9.795 6.020 -6.546 1.00 11.33 C ATOM 681 CD LYS A 45 9.835 4.682 -7.271 1.00 4.45 C ATOM 682 CE LYS A 45 11.268 4.212 -7.465 1.00 72.42 C ATOM 683 NZ LYS A 45 11.346 2.859 -8.073 1.00 24.41 N ATOM 0 H LYS A 45 11.021 5.989 -2.772 1.00 1.22 H new ATOM 0 HA LYS A 45 11.542 7.598 -5.057 1.00 74.11 H new ATOM 0 HB2 LYS A 45 11.075 5.157 -5.065 1.00 3.33 H new ATOM 0 HB3 LYS A 45 9.442 5.468 -4.509 1.00 3.33 H new ATOM 0 HG2 LYS A 45 8.780 6.418 -6.567 1.00 11.33 H new ATOM 0 HG3 LYS A 45 10.430 6.737 -7.066 1.00 11.33 H new ATOM 0 HD2 LYS A 45 9.278 3.938 -6.701 1.00 4.45 H new ATOM 0 HD3 LYS A 45 9.344 4.774 -8.240 1.00 4.45 H new ATOM 0 HE2 LYS A 45 11.797 4.923 -8.100 1.00 72.42 H new ATOM 0 HE3 LYS A 45 11.778 4.204 -6.502 1.00 72.42 H new ATOM 0 HZ1 LYS A 45 12.343 2.585 -8.184 1.00 24.41 H new ATOM 0 HZ2 LYS A 45 10.865 2.173 -7.457 1.00 24.41 H new ATOM 0 HZ3 LYS A 45 10.884 2.870 -9.005 1.00 24.41 H new ATOM 697 N LEU A 46 8.804 8.221 -3.388 1.00 32.51 N ATOM 698 CA LEU A 46 7.744 9.211 -3.233 1.00 53.40 C ATOM 699 C LEU A 46 8.332 10.557 -2.830 1.00 44.31 C ATOM 700 O LEU A 46 7.934 11.604 -3.351 1.00 20.40 O ATOM 701 CB LEU A 46 6.722 8.748 -2.193 1.00 64.23 C ATOM 702 CG LEU A 46 5.985 7.454 -2.538 1.00 12.10 C ATOM 703 CD1 LEU A 46 5.041 7.066 -1.414 1.00 64.42 C ATOM 704 CD2 LEU A 46 5.220 7.603 -3.846 1.00 32.34 C ATOM 0 H LEU A 46 8.868 7.546 -2.626 1.00 32.51 H new ATOM 0 HA LEU A 46 7.236 9.323 -4.191 1.00 53.40 H new ATOM 0 HB2 LEU A 46 7.233 8.614 -1.240 1.00 64.23 H new ATOM 0 HB3 LEU A 46 5.987 9.540 -2.052 1.00 64.23 H new ATOM 0 HG LEU A 46 6.723 6.662 -2.661 1.00 12.10 H new ATOM 0 HD11 LEU A 46 4.524 6.143 -1.675 1.00 64.42 H new ATOM 0 HD12 LEU A 46 5.610 6.916 -0.496 1.00 64.42 H new ATOM 0 HD13 LEU A 46 4.310 7.860 -1.262 1.00 64.42 H new ATOM 0 HD21 LEU A 46 4.703 6.671 -4.073 1.00 32.34 H new ATOM 0 HD22 LEU A 46 4.492 8.409 -3.752 1.00 32.34 H new ATOM 0 HD23 LEU A 46 5.917 7.836 -4.651 1.00 32.34 H new ATOM 716 N TRP A 47 9.296 10.519 -1.916 1.00 52.15 N ATOM 717 CA TRP A 47 9.956 11.727 -1.437 1.00 22.51 C ATOM 718 C TRP A 47 10.606 12.491 -2.588 1.00 34.22 C ATOM 719 O TRP A 47 10.508 13.717 -2.669 1.00 34.40 O ATOM 720 CB TRP A 47 11.009 11.370 -0.377 1.00 54.41 C ATOM 721 CG TRP A 47 11.806 12.549 0.104 1.00 40.31 C ATOM 722 CD1 TRP A 47 11.437 13.459 1.054 1.00 61.33 C ATOM 723 CD2 TRP A 47 13.110 12.943 -0.342 1.00 51.14 C ATOM 724 NE1 TRP A 47 12.425 14.400 1.214 1.00 35.21 N ATOM 725 CE2 TRP A 47 13.462 14.104 0.373 1.00 34.30 C ATOM 726 CE3 TRP A 47 14.013 12.429 -1.281 1.00 62.35 C ATOM 727 CZ2 TRP A 47 14.678 14.758 0.179 1.00 5.51 C ATOM 728 CZ3 TRP A 47 15.219 13.079 -1.471 1.00 51.34 C ATOM 729 CH2 TRP A 47 15.541 14.232 -0.745 1.00 11.32 C ATOM 0 H TRP A 47 9.639 9.658 -1.490 1.00 52.15 H new ATOM 0 HA TRP A 47 9.200 12.371 -0.987 1.00 22.51 H new ATOM 0 HB2 TRP A 47 10.511 10.907 0.475 1.00 54.41 H new ATOM 0 HB3 TRP A 47 11.690 10.627 -0.791 1.00 54.41 H new ATOM 0 HD1 TRP A 47 10.505 13.441 1.599 1.00 61.33 H new ATOM 0 HE1 TRP A 47 12.391 15.192 1.856 1.00 35.21 H new ATOM 0 HE3 TRP A 47 13.772 11.541 -1.847 1.00 62.35 H new ATOM 0 HZ2 TRP A 47 14.930 15.647 0.737 1.00 5.51 H new ATOM 0 HZ3 TRP A 47 15.924 12.691 -2.191 1.00 51.34 H new ATOM 0 HH2 TRP A 47 16.490 14.717 -0.917 1.00 11.32 H new ATOM 740 N LYS A 48 11.253 11.764 -3.489 1.00 10.02 N ATOM 741 CA LYS A 48 11.970 12.392 -4.592 1.00 24.54 C ATOM 742 C LYS A 48 11.025 12.769 -5.734 1.00 62.11 C ATOM 743 O LYS A 48 11.428 13.454 -6.674 1.00 31.25 O ATOM 744 CB LYS A 48 13.090 11.479 -5.110 1.00 71.41 C ATOM 745 CG LYS A 48 12.604 10.220 -5.812 1.00 75.33 C ATOM 746 CD LYS A 48 13.757 9.304 -6.221 1.00 41.15 C ATOM 747 CE LYS A 48 14.586 9.865 -7.378 1.00 45.11 C ATOM 748 NZ LYS A 48 15.487 10.975 -6.960 1.00 54.24 N ATOM 0 H LYS A 48 11.297 10.745 -3.479 1.00 10.02 H new ATOM 0 HA LYS A 48 12.417 13.308 -4.207 1.00 24.54 H new ATOM 0 HB2 LYS A 48 13.714 12.047 -5.800 1.00 71.41 H new ATOM 0 HB3 LYS A 48 13.723 11.190 -4.271 1.00 71.41 H new ATOM 0 HG2 LYS A 48 11.927 9.677 -5.152 1.00 75.33 H new ATOM 0 HG3 LYS A 48 12.032 10.498 -6.697 1.00 75.33 H new ATOM 0 HD2 LYS A 48 14.407 9.142 -5.361 1.00 41.15 H new ATOM 0 HD3 LYS A 48 13.357 8.331 -6.506 1.00 41.15 H new ATOM 0 HE2 LYS A 48 15.183 9.063 -7.813 1.00 45.11 H new ATOM 0 HE3 LYS A 48 13.915 10.223 -8.159 1.00 45.11 H new ATOM 0 HZ1 LYS A 48 16.429 10.833 -7.377 1.00 54.24 H new ATOM 0 HZ2 LYS A 48 15.096 11.881 -7.288 1.00 54.24 H new ATOM 0 HZ3 LYS A 48 15.565 10.987 -5.923 1.00 54.24 H new ATOM 762 N LYS A 49 9.774 12.332 -5.654 1.00 32.15 N ATOM 763 CA LYS A 49 8.801 12.645 -6.693 1.00 34.50 C ATOM 764 C LYS A 49 7.913 13.816 -6.286 1.00 42.32 C ATOM 765 O LYS A 49 7.809 14.806 -7.011 1.00 64.24 O ATOM 766 CB LYS A 49 7.928 11.426 -7.007 1.00 50.13 C ATOM 767 CG LYS A 49 6.907 11.693 -8.104 1.00 75.55 C ATOM 768 CD LYS A 49 6.004 10.497 -8.354 1.00 42.03 C ATOM 769 CE LYS A 49 4.958 10.815 -9.416 1.00 24.42 C ATOM 770 NZ LYS A 49 4.057 9.663 -9.683 1.00 10.35 N ATOM 0 H LYS A 49 9.412 11.765 -4.888 1.00 32.15 H new ATOM 0 HA LYS A 49 9.360 12.925 -7.586 1.00 34.50 H new ATOM 0 HB2 LYS A 49 8.567 10.596 -7.307 1.00 50.13 H new ATOM 0 HB3 LYS A 49 7.407 11.116 -6.101 1.00 50.13 H new ATOM 0 HG2 LYS A 49 6.298 12.554 -7.829 1.00 75.55 H new ATOM 0 HG3 LYS A 49 7.427 11.952 -9.026 1.00 75.55 H new ATOM 0 HD2 LYS A 49 6.604 9.644 -8.673 1.00 42.03 H new ATOM 0 HD3 LYS A 49 5.510 10.210 -7.426 1.00 42.03 H new ATOM 0 HE2 LYS A 49 4.365 11.671 -9.094 1.00 24.42 H new ATOM 0 HE3 LYS A 49 5.458 11.104 -10.340 1.00 24.42 H new ATOM 0 HZ1 LYS A 49 3.363 9.927 -10.411 1.00 10.35 H new ATOM 0 HZ2 LYS A 49 4.618 8.853 -10.016 1.00 10.35 H new ATOM 0 HZ3 LYS A 49 3.559 9.402 -8.808 1.00 10.35 H new ATOM 784 N CYS A 50 7.271 13.697 -5.130 1.00 0.53 N ATOM 785 CA CYS A 50 6.324 14.706 -4.678 1.00 73.23 C ATOM 786 C CYS A 50 7.035 15.864 -3.981 1.00 42.00 C ATOM 787 O CYS A 50 6.634 17.022 -4.119 1.00 32.54 O ATOM 788 CB CYS A 50 5.297 14.071 -3.742 1.00 41.42 C ATOM 789 SG CYS A 50 4.421 12.671 -4.476 1.00 42.33 S ATOM 0 H CYS A 50 7.390 12.912 -4.490 1.00 0.53 H new ATOM 0 HA CYS A 50 5.813 15.110 -5.552 1.00 73.23 H new ATOM 0 HB2 CYS A 50 5.801 13.739 -2.834 1.00 41.42 H new ATOM 0 HB3 CYS A 50 4.571 14.828 -3.445 1.00 41.42 H new ATOM 0 HG CYS A 50 3.572 12.191 -3.616 1.00 42.33 H new ATOM 795 N GLY A 51 8.091 15.552 -3.239 1.00 40.43 N ATOM 796 CA GLY A 51 8.837 16.587 -2.543 1.00 3.22 C ATOM 797 C GLY A 51 8.456 16.698 -1.080 1.00 10.42 C ATOM 798 O GLY A 51 9.069 17.457 -0.324 1.00 33.21 O ATOM 0 H GLY A 51 8.444 14.604 -3.106 1.00 40.43 H new ATOM 0 HA2 GLY A 51 9.903 16.376 -2.622 1.00 3.22 H new ATOM 0 HA3 GLY A 51 8.665 17.545 -3.033 1.00 3.22 H new ATOM 802 N THR A 52 7.444 15.942 -0.678 1.00 54.12 N ATOM 803 CA THR A 52 6.994 15.947 0.704 1.00 13.55 C ATOM 804 C THR A 52 7.789 14.923 1.510 1.00 14.02 C ATOM 805 O THR A 52 8.431 14.041 0.940 1.00 12.33 O ATOM 806 CB THR A 52 5.478 15.653 0.803 1.00 65.02 C ATOM 807 OG1 THR A 52 4.992 15.973 2.114 1.00 22.35 O ATOM 808 CG2 THR A 52 5.175 14.193 0.484 1.00 5.44 C ATOM 0 H THR A 52 6.920 15.318 -1.291 1.00 54.12 H new ATOM 0 HA THR A 52 7.166 16.941 1.117 1.00 13.55 H new ATOM 0 HB THR A 52 4.971 16.278 0.068 1.00 65.02 H new ATOM 0 HG1 THR A 52 4.217 16.568 2.039 1.00 22.35 H new ATOM 0 HG21 THR A 52 4.102 14.019 0.562 1.00 5.44 H new ATOM 0 HG22 THR A 52 5.507 13.966 -0.529 1.00 5.44 H new ATOM 0 HG23 THR A 52 5.700 13.550 1.191 1.00 5.44 H new ATOM 816 N SER A 53 7.756 15.046 2.826 1.00 32.04 N ATOM 817 CA SER A 53 8.562 14.193 3.686 1.00 1.24 C ATOM 818 C SER A 53 7.788 12.946 4.111 1.00 4.44 C ATOM 819 O SER A 53 6.721 13.044 4.718 1.00 74.24 O ATOM 820 CB SER A 53 9.020 14.980 4.913 1.00 42.43 C ATOM 821 OG SER A 53 9.694 16.166 4.524 1.00 23.24 O ATOM 0 H SER A 53 7.181 15.727 3.323 1.00 32.04 H new ATOM 0 HA SER A 53 9.436 13.865 3.123 1.00 1.24 H new ATOM 0 HB2 SER A 53 8.159 15.231 5.532 1.00 42.43 H new ATOM 0 HB3 SER A 53 9.681 14.363 5.521 1.00 42.43 H new ATOM 0 HG SER A 53 9.978 16.658 5.323 1.00 23.24 H new ATOM 827 N VAL A 54 8.342 11.776 3.807 1.00 73.03 N ATOM 828 CA VAL A 54 7.698 10.506 4.139 1.00 54.11 C ATOM 829 C VAL A 54 7.798 10.208 5.633 1.00 61.55 C ATOM 830 O VAL A 54 7.079 9.355 6.155 1.00 11.30 O ATOM 831 CB VAL A 54 8.297 9.331 3.338 1.00 61.51 C ATOM 832 CG1 VAL A 54 7.988 9.493 1.860 1.00 22.02 C ATOM 833 CG2 VAL A 54 9.798 9.236 3.562 1.00 44.43 C ATOM 0 H VAL A 54 9.238 11.679 3.330 1.00 73.03 H new ATOM 0 HA VAL A 54 6.648 10.609 3.866 1.00 54.11 H new ATOM 0 HB VAL A 54 7.843 8.405 3.691 1.00 61.51 H new ATOM 0 HG11 VAL A 54 8.416 8.658 1.305 1.00 22.02 H new ATOM 0 HG12 VAL A 54 6.908 9.510 1.714 1.00 22.02 H new ATOM 0 HG13 VAL A 54 8.418 10.427 1.499 1.00 22.02 H new ATOM 0 HG21 VAL A 54 10.199 8.401 2.988 1.00 44.43 H new ATOM 0 HG22 VAL A 54 10.274 10.161 3.237 1.00 44.43 H new ATOM 0 HG23 VAL A 54 9.998 9.077 4.622 1.00 44.43 H new ATOM 843 N ASN A 55 8.689 10.919 6.316 1.00 22.44 N ATOM 844 CA ASN A 55 8.797 10.834 7.773 1.00 42.25 C ATOM 845 C ASN A 55 7.587 11.504 8.433 1.00 62.41 C ATOM 846 O ASN A 55 7.298 11.284 9.610 1.00 1.24 O ATOM 847 CB ASN A 55 10.115 11.473 8.242 1.00 10.12 C ATOM 848 CG ASN A 55 10.208 11.633 9.750 1.00 61.34 C ATOM 849 OD1 ASN A 55 10.537 10.692 10.472 1.00 33.21 O ATOM 850 ND2 ASN A 55 9.960 12.842 10.230 1.00 63.42 N ATOM 0 H ASN A 55 9.351 11.564 5.884 1.00 22.44 H new ATOM 0 HA ASN A 55 8.804 9.786 8.072 1.00 42.25 H new ATOM 0 HB2 ASN A 55 10.949 10.861 7.897 1.00 10.12 H new ATOM 0 HB3 ASN A 55 10.222 12.451 7.773 1.00 10.12 H new ATOM 0 HD21 ASN A 55 10.039 13.019 11.231 1.00 63.42 H new ATOM 0 HD22 ASN A 55 9.690 13.596 9.598 1.00 63.42 H new ATOM 857 N SER A 56 6.876 12.314 7.656 1.00 13.34 N ATOM 858 CA SER A 56 5.655 12.956 8.125 1.00 34.45 C ATOM 859 C SER A 56 4.433 12.305 7.478 1.00 52.42 C ATOM 860 O SER A 56 3.298 12.739 7.682 1.00 24.43 O ATOM 861 CB SER A 56 5.688 14.448 7.794 1.00 34.21 C ATOM 862 OG SER A 56 6.867 15.054 8.298 1.00 3.44 O ATOM 0 H SER A 56 7.127 12.542 6.694 1.00 13.34 H new ATOM 0 HA SER A 56 5.588 12.833 9.206 1.00 34.45 H new ATOM 0 HB2 SER A 56 5.637 14.586 6.714 1.00 34.21 H new ATOM 0 HB3 SER A 56 4.812 14.938 8.220 1.00 34.21 H new ATOM 0 HG SER A 56 6.867 16.008 8.073 1.00 3.44 H new ATOM 868 N MET A 57 4.677 11.256 6.707 1.00 11.04 N ATOM 869 CA MET A 57 3.616 10.568 5.986 1.00 31.14 C ATOM 870 C MET A 57 2.956 9.522 6.878 1.00 50.34 C ATOM 871 O MET A 57 3.493 8.432 7.078 1.00 51.24 O ATOM 872 CB MET A 57 4.175 9.914 4.719 1.00 0.13 C ATOM 873 CG MET A 57 3.123 9.248 3.845 1.00 71.12 C ATOM 874 SD MET A 57 3.834 8.478 2.378 1.00 41.43 S ATOM 875 CE MET A 57 2.356 7.931 1.522 1.00 21.14 C ATOM 0 H MET A 57 5.606 10.861 6.564 1.00 11.04 H new ATOM 0 HA MET A 57 2.861 11.299 5.697 1.00 31.14 H new ATOM 0 HB2 MET A 57 4.693 10.671 4.131 1.00 0.13 H new ATOM 0 HB3 MET A 57 4.918 9.169 5.005 1.00 0.13 H new ATOM 0 HG2 MET A 57 2.595 8.493 4.428 1.00 71.12 H new ATOM 0 HG3 MET A 57 2.385 9.990 3.541 1.00 71.12 H new ATOM 0 HE1 MET A 57 2.334 6.842 1.493 1.00 21.14 H new ATOM 0 HE2 MET A 57 1.474 8.298 2.048 1.00 21.14 H new ATOM 0 HE3 MET A 57 2.360 8.321 0.504 1.00 21.14 H new ATOM 885 N ALA A 58 1.796 9.869 7.418 1.00 42.34 N ATOM 886 CA ALA A 58 1.069 8.978 8.307 1.00 52.22 C ATOM 887 C ALA A 58 0.304 7.923 7.517 1.00 42.03 C ATOM 888 O ALA A 58 -0.665 8.234 6.815 1.00 74.25 O ATOM 889 CB ALA A 58 0.122 9.774 9.190 1.00 34.32 C ATOM 0 H ALA A 58 1.338 10.765 7.254 1.00 42.34 H new ATOM 0 HA ALA A 58 1.791 8.464 8.942 1.00 52.22 H new ATOM 0 HB1 ALA A 58 -0.416 9.095 9.851 1.00 34.32 H new ATOM 0 HB2 ALA A 58 0.693 10.485 9.787 1.00 34.32 H new ATOM 0 HB3 ALA A 58 -0.590 10.314 8.566 1.00 34.32 H new ATOM 895 N LEU A 59 0.758 6.680 7.621 1.00 34.35 N ATOM 896 CA LEU A 59 0.101 5.560 6.965 1.00 15.21 C ATOM 897 C LEU A 59 -0.567 4.666 7.997 1.00 41.45 C ATOM 898 O LEU A 59 0.105 3.997 8.783 1.00 65.22 O ATOM 899 CB LEU A 59 1.108 4.748 6.144 1.00 42.50 C ATOM 900 CG LEU A 59 1.729 5.488 4.962 1.00 64.34 C ATOM 901 CD1 LEU A 59 2.751 4.608 4.260 1.00 11.12 C ATOM 902 CD2 LEU A 59 0.649 5.925 3.985 1.00 4.30 C ATOM 0 H LEU A 59 1.586 6.423 8.159 1.00 34.35 H new ATOM 0 HA LEU A 59 -0.659 5.955 6.291 1.00 15.21 H new ATOM 0 HB2 LEU A 59 1.908 4.416 6.805 1.00 42.50 H new ATOM 0 HB3 LEU A 59 0.611 3.853 5.771 1.00 42.50 H new ATOM 0 HG LEU A 59 2.238 6.375 5.339 1.00 64.34 H new ATOM 0 HD11 LEU A 59 3.183 5.152 3.420 1.00 11.12 H new ATOM 0 HD12 LEU A 59 3.540 4.336 4.961 1.00 11.12 H new ATOM 0 HD13 LEU A 59 2.263 3.704 3.895 1.00 11.12 H new ATOM 0 HD21 LEU A 59 1.107 6.451 3.148 1.00 4.30 H new ATOM 0 HD22 LEU A 59 0.117 5.049 3.615 1.00 4.30 H new ATOM 0 HD23 LEU A 59 -0.052 6.589 4.491 1.00 4.30 H new ATOM 914 N GLU A 60 -1.888 4.666 8.010 1.00 2.14 N ATOM 915 CA GLU A 60 -2.628 3.840 8.942 1.00 21.14 C ATOM 916 C GLU A 60 -2.971 2.505 8.306 1.00 34.10 C ATOM 917 O GLU A 60 -3.852 2.422 7.452 1.00 44.53 O ATOM 918 CB GLU A 60 -3.903 4.543 9.395 1.00 32.31 C ATOM 919 CG GLU A 60 -3.654 5.864 10.098 1.00 25.15 C ATOM 920 CD GLU A 60 -4.928 6.458 10.646 1.00 73.01 C ATOM 921 OE1 GLU A 60 -5.633 7.158 9.892 1.00 74.23 O ATOM 922 OE2 GLU A 60 -5.243 6.204 11.826 1.00 53.30 O ATOM 0 H GLU A 60 -2.468 5.228 7.387 1.00 2.14 H new ATOM 0 HA GLU A 60 -1.999 3.667 9.815 1.00 21.14 H new ATOM 0 HB2 GLU A 60 -4.539 4.718 8.527 1.00 32.31 H new ATOM 0 HB3 GLU A 60 -4.453 3.883 10.066 1.00 32.31 H new ATOM 0 HG2 GLU A 60 -2.944 5.714 10.911 1.00 25.15 H new ATOM 0 HG3 GLU A 60 -3.197 6.566 9.401 1.00 25.15 H new ATOM 929 N LEU A 61 -2.252 1.470 8.708 1.00 71.32 N ATOM 930 CA LEU A 61 -2.502 0.131 8.208 1.00 72.24 C ATOM 931 C LEU A 61 -3.600 -0.529 9.031 1.00 51.34 C ATOM 932 O LEU A 61 -3.342 -1.098 10.097 1.00 0.54 O ATOM 933 CB LEU A 61 -1.218 -0.704 8.256 1.00 51.53 C ATOM 934 CG LEU A 61 -1.329 -2.112 7.668 1.00 44.33 C ATOM 935 CD1 LEU A 61 -1.696 -2.049 6.195 1.00 40.02 C ATOM 936 CD2 LEU A 61 -0.026 -2.873 7.865 1.00 74.41 C ATOM 0 H LEU A 61 -1.488 1.533 9.381 1.00 71.32 H new ATOM 0 HA LEU A 61 -2.829 0.194 7.170 1.00 72.24 H new ATOM 0 HB2 LEU A 61 -0.435 -0.166 7.722 1.00 51.53 H new ATOM 0 HB3 LEU A 61 -0.897 -0.786 9.294 1.00 51.53 H new ATOM 0 HG LEU A 61 -2.122 -2.645 8.194 1.00 44.33 H new ATOM 0 HD11 LEU A 61 -1.770 -3.060 5.795 1.00 40.02 H new ATOM 0 HD12 LEU A 61 -2.654 -1.542 6.080 1.00 40.02 H new ATOM 0 HD13 LEU A 61 -0.927 -1.499 5.652 1.00 40.02 H new ATOM 0 HD21 LEU A 61 -0.121 -3.873 7.441 1.00 74.41 H new ATOM 0 HD22 LEU A 61 0.784 -2.343 7.365 1.00 74.41 H new ATOM 0 HD23 LEU A 61 0.193 -2.950 8.930 1.00 74.41 H new ATOM 948 N TYR A 62 -4.831 -0.420 8.552 1.00 23.12 N ATOM 949 CA TYR A 62 -5.972 -0.979 9.260 1.00 30.24 C ATOM 950 C TYR A 62 -6.226 -2.417 8.844 1.00 4.45 C ATOM 951 O TYR A 62 -5.967 -2.803 7.703 1.00 1.45 O ATOM 952 CB TYR A 62 -7.242 -0.165 9.002 1.00 64.25 C ATOM 953 CG TYR A 62 -7.290 1.175 9.692 1.00 34.11 C ATOM 954 CD1 TYR A 62 -6.943 1.307 11.032 1.00 31.13 C ATOM 955 CD2 TYR A 62 -7.705 2.308 9.006 1.00 60.44 C ATOM 956 CE1 TYR A 62 -7.006 2.535 11.665 1.00 60.32 C ATOM 957 CE2 TYR A 62 -7.775 3.534 9.633 1.00 61.33 C ATOM 958 CZ TYR A 62 -7.426 3.643 10.961 1.00 51.43 C ATOM 959 OH TYR A 62 -7.503 4.866 11.587 1.00 32.43 O ATOM 0 H TYR A 62 -5.064 0.050 7.677 1.00 23.12 H new ATOM 0 HA TYR A 62 -5.729 -0.944 10.322 1.00 30.24 H new ATOM 0 HB2 TYR A 62 -7.343 -0.008 7.928 1.00 64.25 H new ATOM 0 HB3 TYR A 62 -8.103 -0.752 9.321 1.00 64.25 H new ATOM 0 HD1 TYR A 62 -6.620 0.438 11.586 1.00 31.13 H new ATOM 0 HD2 TYR A 62 -7.978 2.228 7.964 1.00 60.44 H new ATOM 0 HE1 TYR A 62 -6.728 2.625 12.705 1.00 60.32 H new ATOM 0 HE2 TYR A 62 -8.102 4.405 9.085 1.00 61.33 H new ATOM 0 HH TYR A 62 -6.624 5.104 11.949 1.00 32.43 H new ATOM 969 N ASP A 63 -6.753 -3.194 9.780 1.00 42.24 N ATOM 970 CA ASP A 63 -7.189 -4.555 9.499 1.00 3.22 C ATOM 971 C ASP A 63 -8.616 -4.528 8.952 1.00 64.31 C ATOM 972 O ASP A 63 -9.204 -5.571 8.662 1.00 41.51 O ATOM 973 CB ASP A 63 -7.137 -5.399 10.774 1.00 53.50 C ATOM 974 CG ASP A 63 -8.315 -5.130 11.692 1.00 32.43 C ATOM 975 OD1 ASP A 63 -8.634 -3.945 11.945 1.00 1.02 O ATOM 976 OD2 ASP A 63 -8.950 -6.104 12.143 1.00 0.21 O ATOM 0 H ASP A 63 -6.890 -2.902 10.748 1.00 42.24 H new ATOM 0 HA ASP A 63 -6.524 -4.999 8.758 1.00 3.22 H new ATOM 0 HB2 ASP A 63 -7.121 -6.456 10.507 1.00 53.50 H new ATOM 0 HB3 ASP A 63 -6.209 -5.191 11.307 1.00 53.50 H new ATOM 981 N ASP A 64 -9.143 -3.299 8.842 1.00 22.25 N ATOM 982 CA ASP A 64 -10.481 -3.000 8.307 1.00 13.52 C ATOM 983 C ASP A 64 -11.553 -3.021 9.397 1.00 1.51 C ATOM 984 O ASP A 64 -12.581 -2.357 9.265 1.00 4.53 O ATOM 985 CB ASP A 64 -10.873 -3.932 7.151 1.00 71.03 C ATOM 986 CG ASP A 64 -12.210 -3.559 6.540 1.00 24.15 C ATOM 987 OD1 ASP A 64 -12.248 -2.632 5.709 1.00 31.01 O ATOM 988 OD2 ASP A 64 -13.230 -4.200 6.880 1.00 60.30 O ATOM 0 H ASP A 64 -8.636 -2.462 9.131 1.00 22.25 H new ATOM 0 HA ASP A 64 -10.423 -1.987 7.909 1.00 13.52 H new ATOM 0 HB2 ASP A 64 -10.102 -3.897 6.381 1.00 71.03 H new ATOM 0 HB3 ASP A 64 -10.915 -4.959 7.513 1.00 71.03 H new ATOM 993 N SER A 65 -11.318 -3.749 10.484 1.00 3.52 N ATOM 994 CA SER A 65 -12.305 -3.810 11.556 1.00 62.34 C ATOM 995 C SER A 65 -12.221 -2.551 12.408 1.00 41.32 C ATOM 996 O SER A 65 -13.213 -2.114 12.998 1.00 61.24 O ATOM 997 CB SER A 65 -12.104 -5.053 12.429 1.00 0.24 C ATOM 998 OG SER A 65 -10.971 -4.920 13.271 1.00 60.13 O ATOM 0 H SER A 65 -10.471 -4.294 10.645 1.00 3.52 H new ATOM 0 HA SER A 65 -13.295 -3.876 11.104 1.00 62.34 H new ATOM 0 HB2 SER A 65 -12.993 -5.219 13.037 1.00 0.24 H new ATOM 0 HB3 SER A 65 -11.985 -5.930 11.793 1.00 0.24 H new ATOM 0 HG SER A 65 -10.330 -5.634 13.072 1.00 60.13 H new ATOM 1004 N GLY A 66 -11.030 -1.969 12.462 1.00 71.03 N ATOM 1005 CA GLY A 66 -10.839 -0.737 13.198 1.00 44.53 C ATOM 1006 C GLY A 66 -9.528 -0.712 13.951 1.00 72.41 C ATOM 1007 O GLY A 66 -9.173 0.294 14.564 1.00 75.11 O ATOM 0 H GLY A 66 -10.191 -2.330 12.007 1.00 71.03 H new ATOM 0 HA2 GLY A 66 -10.874 0.105 12.507 1.00 44.53 H new ATOM 0 HA3 GLY A 66 -11.661 -0.606 13.901 1.00 44.53 H new ATOM 1011 N SER A 67 -8.800 -1.816 13.901 1.00 55.14 N ATOM 1012 CA SER A 67 -7.536 -1.923 14.605 1.00 20.10 C ATOM 1013 C SER A 67 -6.369 -1.726 13.643 1.00 3.12 C ATOM 1014 O SER A 67 -6.430 -2.141 12.484 1.00 40.13 O ATOM 1015 CB SER A 67 -7.444 -3.289 15.284 1.00 34.24 C ATOM 1016 OG SER A 67 -8.594 -3.529 16.081 1.00 20.13 O ATOM 0 H SER A 67 -9.065 -2.651 13.379 1.00 55.14 H new ATOM 0 HA SER A 67 -7.484 -1.142 15.364 1.00 20.10 H new ATOM 0 HB2 SER A 67 -7.348 -4.070 14.530 1.00 34.24 H new ATOM 0 HB3 SER A 67 -6.549 -3.333 15.905 1.00 34.24 H new ATOM 0 HG SER A 67 -8.519 -4.408 16.507 1.00 20.13 H new ATOM 1022 N LYS A 68 -5.322 -1.064 14.109 1.00 51.31 N ATOM 1023 CA LYS A 68 -4.124 -0.905 13.305 1.00 64.44 C ATOM 1024 C LYS A 68 -3.207 -2.107 13.505 1.00 1.34 C ATOM 1025 O LYS A 68 -2.889 -2.482 14.635 1.00 74.32 O ATOM 1026 CB LYS A 68 -3.393 0.404 13.637 1.00 33.15 C ATOM 1027 CG LYS A 68 -2.835 0.480 15.053 1.00 53.24 C ATOM 1028 CD LYS A 68 -2.105 1.792 15.288 1.00 74.50 C ATOM 1029 CE LYS A 68 -1.402 1.821 16.638 1.00 54.04 C ATOM 1030 NZ LYS A 68 -2.350 1.669 17.775 1.00 13.55 N ATOM 0 H LYS A 68 -5.278 -0.632 15.032 1.00 51.31 H new ATOM 0 HA LYS A 68 -4.417 -0.852 12.256 1.00 64.44 H new ATOM 0 HB2 LYS A 68 -2.573 0.536 12.931 1.00 33.15 H new ATOM 0 HB3 LYS A 68 -4.080 1.236 13.487 1.00 33.15 H new ATOM 0 HG2 LYS A 68 -3.648 0.379 15.772 1.00 53.24 H new ATOM 0 HG3 LYS A 68 -2.154 -0.354 15.223 1.00 53.24 H new ATOM 0 HD2 LYS A 68 -1.373 1.947 14.495 1.00 74.50 H new ATOM 0 HD3 LYS A 68 -2.815 2.617 15.232 1.00 74.50 H new ATOM 0 HE2 LYS A 68 -0.662 1.022 16.676 1.00 54.04 H new ATOM 0 HE3 LYS A 68 -0.861 2.762 16.743 1.00 54.04 H new ATOM 0 HZ1 LYS A 68 -1.836 1.780 18.672 1.00 13.55 H new ATOM 0 HZ2 LYS A 68 -3.091 2.395 17.708 1.00 13.55 H new ATOM 0 HZ3 LYS A 68 -2.786 0.725 17.740 1.00 13.55 H new ATOM 1044 N VAL A 69 -2.813 -2.722 12.407 1.00 3.22 N ATOM 1045 CA VAL A 69 -1.948 -3.892 12.450 1.00 24.10 C ATOM 1046 C VAL A 69 -0.521 -3.500 12.086 1.00 52.20 C ATOM 1047 O VAL A 69 0.311 -4.338 11.727 1.00 42.12 O ATOM 1048 CB VAL A 69 -2.462 -5.000 11.502 1.00 71.05 C ATOM 1049 CG1 VAL A 69 -3.806 -5.524 11.979 1.00 13.53 C ATOM 1050 CG2 VAL A 69 -2.566 -4.492 10.072 1.00 31.01 C ATOM 0 H VAL A 69 -3.079 -2.431 11.466 1.00 3.22 H new ATOM 0 HA VAL A 69 -1.959 -4.289 13.465 1.00 24.10 H new ATOM 0 HB VAL A 69 -1.742 -5.818 11.517 1.00 71.05 H new ATOM 0 HG11 VAL A 69 -4.154 -6.303 11.301 1.00 13.53 H new ATOM 0 HG12 VAL A 69 -3.700 -5.937 12.982 1.00 13.53 H new ATOM 0 HG13 VAL A 69 -4.529 -4.709 11.996 1.00 13.53 H new ATOM 0 HG21 VAL A 69 -2.930 -5.292 9.427 1.00 31.01 H new ATOM 0 HG22 VAL A 69 -3.259 -3.652 10.034 1.00 31.01 H new ATOM 0 HG23 VAL A 69 -1.584 -4.168 9.729 1.00 31.01 H new ATOM 1060 N ALA A 70 -0.241 -2.213 12.212 1.00 62.23 N ATOM 1061 CA ALA A 70 1.052 -1.666 11.853 1.00 54.13 C ATOM 1062 C ALA A 70 2.056 -1.804 12.992 1.00 75.22 C ATOM 1063 O ALA A 70 1.968 -1.102 14.001 1.00 53.13 O ATOM 1064 CB ALA A 70 0.904 -0.207 11.452 1.00 23.23 C ATOM 0 H ALA A 70 -0.903 -1.522 12.565 1.00 62.23 H new ATOM 0 HA ALA A 70 1.435 -2.235 11.006 1.00 54.13 H new ATOM 0 HB1 ALA A 70 1.880 0.197 11.184 1.00 23.23 H new ATOM 0 HB2 ALA A 70 0.232 -0.131 10.597 1.00 23.23 H new ATOM 0 HB3 ALA A 70 0.494 0.360 12.288 1.00 23.23 H new ATOM 1070 N VAL A 71 2.981 -2.739 12.838 1.00 60.32 N ATOM 1071 CA VAL A 71 4.111 -2.863 13.752 1.00 31.21 C ATOM 1072 C VAL A 71 5.405 -2.475 13.032 1.00 74.41 C ATOM 1073 O VAL A 71 6.331 -1.929 13.634 1.00 42.11 O ATOM 1074 CB VAL A 71 4.217 -4.296 14.340 1.00 62.50 C ATOM 1075 CG1 VAL A 71 4.348 -5.338 13.238 1.00 21.23 C ATOM 1076 CG2 VAL A 71 5.378 -4.398 15.318 1.00 33.43 C ATOM 0 H VAL A 71 2.973 -3.427 12.085 1.00 60.32 H new ATOM 0 HA VAL A 71 3.949 -2.183 14.588 1.00 31.21 H new ATOM 0 HB VAL A 71 3.294 -4.499 14.883 1.00 62.50 H new ATOM 0 HG11 VAL A 71 4.420 -6.331 13.683 1.00 21.23 H new ATOM 0 HG12 VAL A 71 3.473 -5.294 12.589 1.00 21.23 H new ATOM 0 HG13 VAL A 71 5.245 -5.137 12.652 1.00 21.23 H new ATOM 0 HG21 VAL A 71 5.431 -5.411 15.716 1.00 33.43 H new ATOM 0 HG22 VAL A 71 6.309 -4.161 14.803 1.00 33.43 H new ATOM 0 HG23 VAL A 71 5.227 -3.694 16.137 1.00 33.43 H new ATOM 1086 N LEU A 72 5.433 -2.751 11.727 1.00 54.21 N ATOM 1087 CA LEU A 72 6.527 -2.350 10.840 1.00 42.03 C ATOM 1088 C LEU A 72 7.894 -2.838 11.315 1.00 43.34 C ATOM 1089 O LEU A 72 8.647 -2.103 11.952 1.00 55.30 O ATOM 1090 CB LEU A 72 6.551 -0.829 10.635 1.00 5.04 C ATOM 1091 CG LEU A 72 5.603 -0.284 9.557 1.00 1.12 C ATOM 1092 CD1 LEU A 72 5.892 -0.931 8.212 1.00 21.45 C ATOM 1093 CD2 LEU A 72 4.147 -0.496 9.949 1.00 31.55 C ATOM 0 H LEU A 72 4.690 -3.264 11.252 1.00 54.21 H new ATOM 0 HA LEU A 72 6.327 -2.835 9.884 1.00 42.03 H new ATOM 0 HB2 LEU A 72 6.306 -0.350 11.583 1.00 5.04 H new ATOM 0 HB3 LEU A 72 7.568 -0.532 10.381 1.00 5.04 H new ATOM 0 HG LEU A 72 5.776 0.789 9.470 1.00 1.12 H new ATOM 0 HD11 LEU A 72 5.210 -0.531 7.462 1.00 21.45 H new ATOM 0 HD12 LEU A 72 6.920 -0.717 7.919 1.00 21.45 H new ATOM 0 HD13 LEU A 72 5.754 -2.009 8.290 1.00 21.45 H new ATOM 0 HD21 LEU A 72 3.498 -0.100 9.167 1.00 31.55 H new ATOM 0 HD22 LEU A 72 3.955 -1.562 10.075 1.00 31.55 H new ATOM 0 HD23 LEU A 72 3.943 0.022 10.886 1.00 31.55 H new ATOM 1105 N SER A 73 8.194 -4.089 11.017 1.00 20.40 N ATOM 1106 CA SER A 73 9.526 -4.628 11.219 1.00 4.11 C ATOM 1107 C SER A 73 10.006 -5.273 9.920 1.00 21.14 C ATOM 1108 O SER A 73 11.064 -5.899 9.865 1.00 52.41 O ATOM 1109 CB SER A 73 9.526 -5.644 12.368 1.00 40.21 C ATOM 1110 OG SER A 73 10.849 -6.002 12.737 1.00 23.25 O ATOM 0 H SER A 73 7.526 -4.756 10.631 1.00 20.40 H new ATOM 0 HA SER A 73 10.208 -3.822 11.491 1.00 4.11 H new ATOM 0 HB2 SER A 73 9.007 -5.223 13.229 1.00 40.21 H new ATOM 0 HB3 SER A 73 8.975 -6.536 12.068 1.00 40.21 H new ATOM 0 HG SER A 73 11.398 -6.099 11.931 1.00 23.25 H new ATOM 1116 N ASP A 74 9.216 -5.089 8.867 1.00 35.14 N ATOM 1117 CA ASP A 74 9.516 -5.670 7.564 1.00 21.22 C ATOM 1118 C ASP A 74 9.811 -4.578 6.547 1.00 13.51 C ATOM 1119 O ASP A 74 9.633 -4.773 5.347 1.00 61.35 O ATOM 1120 CB ASP A 74 8.343 -6.522 7.071 1.00 55.11 C ATOM 1121 CG ASP A 74 8.093 -7.728 7.946 1.00 52.03 C ATOM 1122 OD1 ASP A 74 8.728 -8.773 7.721 1.00 20.42 O ATOM 1123 OD2 ASP A 74 7.264 -7.631 8.873 1.00 31.11 O ATOM 0 H ASP A 74 8.358 -4.538 8.892 1.00 35.14 H new ATOM 0 HA ASP A 74 10.396 -6.304 7.673 1.00 21.22 H new ATOM 0 HB2 ASP A 74 7.442 -5.909 7.038 1.00 55.11 H new ATOM 0 HB3 ASP A 74 8.542 -6.852 6.051 1.00 55.11 H new ATOM 1128 N ASP A 75 10.278 -3.436 7.037 1.00 1.20 N ATOM 1129 CA ASP A 75 10.600 -2.289 6.184 1.00 20.54 C ATOM 1130 C ASP A 75 11.574 -2.682 5.079 1.00 52.40 C ATOM 1131 O ASP A 75 11.331 -2.434 3.896 1.00 54.22 O ATOM 1132 CB ASP A 75 11.206 -1.165 7.034 1.00 21.44 C ATOM 1133 CG ASP A 75 11.810 -0.045 6.203 1.00 31.11 C ATOM 1134 OD1 ASP A 75 12.972 -0.185 5.762 1.00 14.23 O ATOM 1135 OD2 ASP A 75 11.139 0.993 6.012 1.00 71.44 O ATOM 0 H ASP A 75 10.445 -3.275 8.030 1.00 1.20 H new ATOM 0 HA ASP A 75 9.678 -1.940 5.718 1.00 20.54 H new ATOM 0 HB2 ASP A 75 10.433 -0.752 7.682 1.00 21.44 H new ATOM 0 HB3 ASP A 75 11.976 -1.583 7.682 1.00 21.44 H new ATOM 1140 N SER A 76 12.667 -3.307 5.474 1.00 14.42 N ATOM 1141 CA SER A 76 13.722 -3.650 4.539 1.00 40.12 C ATOM 1142 C SER A 76 13.631 -5.114 4.104 1.00 1.42 C ATOM 1143 O SER A 76 14.493 -5.609 3.376 1.00 13.20 O ATOM 1144 CB SER A 76 15.074 -3.366 5.185 1.00 4.51 C ATOM 1145 OG SER A 76 15.082 -2.079 5.788 1.00 54.35 O ATOM 0 H SER A 76 12.848 -3.588 6.438 1.00 14.42 H new ATOM 0 HA SER A 76 13.608 -3.039 3.643 1.00 40.12 H new ATOM 0 HB2 SER A 76 15.291 -4.126 5.936 1.00 4.51 H new ATOM 0 HB3 SER A 76 15.861 -3.426 4.434 1.00 4.51 H new ATOM 0 HG SER A 76 14.287 -1.580 5.505 1.00 54.35 H new ATOM 1151 N ARG A 77 12.576 -5.796 4.531 1.00 33.45 N ATOM 1152 CA ARG A 77 12.399 -7.201 4.191 1.00 1.35 C ATOM 1153 C ARG A 77 11.414 -7.352 3.039 1.00 60.32 C ATOM 1154 O ARG A 77 10.525 -6.519 2.864 1.00 13.22 O ATOM 1155 CB ARG A 77 11.902 -8.007 5.396 1.00 3.11 C ATOM 1156 CG ARG A 77 12.791 -7.905 6.623 1.00 52.42 C ATOM 1157 CD ARG A 77 12.738 -9.178 7.456 1.00 62.41 C ATOM 1158 NE ARG A 77 11.369 -9.598 7.760 1.00 42.43 N ATOM 1159 CZ ARG A 77 11.046 -10.802 8.234 1.00 44.34 C ATOM 1160 NH1 ARG A 77 11.984 -11.715 8.447 1.00 35.30 N ATOM 1161 NH2 ARG A 77 9.780 -11.088 8.487 1.00 14.45 N ATOM 0 H ARG A 77 11.834 -5.402 5.110 1.00 33.45 H new ATOM 0 HA ARG A 77 13.372 -7.590 3.889 1.00 1.35 H new ATOM 0 HB2 ARG A 77 10.900 -7.667 5.658 1.00 3.11 H new ATOM 0 HB3 ARG A 77 11.818 -9.055 5.108 1.00 3.11 H new ATOM 0 HG2 ARG A 77 13.819 -7.713 6.314 1.00 52.42 H new ATOM 0 HG3 ARG A 77 12.477 -7.057 7.232 1.00 52.42 H new ATOM 0 HD2 ARG A 77 13.249 -9.979 6.921 1.00 62.41 H new ATOM 0 HD3 ARG A 77 13.281 -9.020 8.388 1.00 62.41 H new ATOM 0 HE ARG A 77 10.616 -8.929 7.599 1.00 42.43 H new ATOM 0 HH11 ARG A 77 12.961 -11.499 8.248 1.00 35.30 H new ATOM 0 HH12 ARG A 77 11.729 -12.633 8.810 1.00 35.30 H new ATOM 0 HH21 ARG A 77 9.056 -10.389 8.320 1.00 14.45 H new ATOM 0 HH22 ARG A 77 9.527 -12.007 8.850 1.00 14.45 H new ATOM 1175 N PRO A 78 11.572 -8.405 2.223 1.00 23.15 N ATOM 1176 CA PRO A 78 10.625 -8.719 1.154 1.00 0.11 C ATOM 1177 C PRO A 78 9.277 -9.154 1.718 1.00 52.10 C ATOM 1178 O PRO A 78 9.204 -10.089 2.522 1.00 24.44 O ATOM 1179 CB PRO A 78 11.286 -9.882 0.401 1.00 4.32 C ATOM 1180 CG PRO A 78 12.707 -9.890 0.858 1.00 54.22 C ATOM 1181 CD PRO A 78 12.686 -9.363 2.262 1.00 70.12 C ATOM 0 HA PRO A 78 10.423 -7.857 0.518 1.00 0.11 H new ATOM 0 HB2 PRO A 78 10.794 -10.828 0.628 1.00 4.32 H new ATOM 0 HB3 PRO A 78 11.221 -9.740 -0.678 1.00 4.32 H new ATOM 0 HG2 PRO A 78 13.123 -10.897 0.824 1.00 54.22 H new ATOM 0 HG3 PRO A 78 13.328 -9.266 0.215 1.00 54.22 H new ATOM 0 HD2 PRO A 78 12.515 -10.155 2.991 1.00 70.12 H new ATOM 0 HD3 PRO A 78 13.627 -8.882 2.529 1.00 70.12 H new ATOM 1189 N LEU A 79 8.215 -8.484 1.288 1.00 1.20 N ATOM 1190 CA LEU A 79 6.871 -8.750 1.798 1.00 24.51 C ATOM 1191 C LEU A 79 6.432 -10.187 1.502 1.00 21.34 C ATOM 1192 O LEU A 79 5.582 -10.744 2.198 1.00 62.43 O ATOM 1193 CB LEU A 79 5.876 -7.757 1.187 1.00 23.44 C ATOM 1194 CG LEU A 79 4.448 -7.833 1.736 1.00 51.02 C ATOM 1195 CD1 LEU A 79 4.429 -7.516 3.226 1.00 64.15 C ATOM 1196 CD2 LEU A 79 3.537 -6.878 0.978 1.00 24.11 C ATOM 0 H LEU A 79 8.257 -7.748 0.583 1.00 1.20 H new ATOM 0 HA LEU A 79 6.890 -8.625 2.881 1.00 24.51 H new ATOM 0 HB2 LEU A 79 6.254 -6.747 1.345 1.00 23.44 H new ATOM 0 HB3 LEU A 79 5.842 -7.920 0.110 1.00 23.44 H new ATOM 0 HG LEU A 79 4.079 -8.849 1.596 1.00 51.02 H new ATOM 0 HD11 LEU A 79 3.406 -7.575 3.598 1.00 64.15 H new ATOM 0 HD12 LEU A 79 5.051 -8.235 3.759 1.00 64.15 H new ATOM 0 HD13 LEU A 79 4.817 -6.510 3.389 1.00 64.15 H new ATOM 0 HD21 LEU A 79 2.526 -6.944 1.380 1.00 24.11 H new ATOM 0 HD22 LEU A 79 3.906 -5.858 1.089 1.00 24.11 H new ATOM 0 HD23 LEU A 79 3.526 -7.147 -0.078 1.00 24.11 H new ATOM 1208 N GLY A 80 7.012 -10.782 0.466 1.00 64.40 N ATOM 1209 CA GLY A 80 6.702 -12.156 0.116 1.00 34.52 C ATOM 1210 C GLY A 80 7.135 -13.137 1.185 1.00 1.40 C ATOM 1211 O GLY A 80 6.506 -14.178 1.373 1.00 32.41 O ATOM 0 H GLY A 80 7.697 -10.333 -0.142 1.00 64.40 H new ATOM 0 HA2 GLY A 80 5.629 -12.253 -0.048 1.00 34.52 H new ATOM 0 HA3 GLY A 80 7.193 -12.408 -0.824 1.00 34.52 H new ATOM 1215 N PHE A 81 8.207 -12.803 1.892 1.00 14.45 N ATOM 1216 CA PHE A 81 8.706 -13.653 2.962 1.00 10.10 C ATOM 1217 C PHE A 81 7.788 -13.547 4.175 1.00 32.23 C ATOM 1218 O PHE A 81 7.496 -14.542 4.839 1.00 5.42 O ATOM 1219 CB PHE A 81 10.136 -13.257 3.334 1.00 3.51 C ATOM 1220 CG PHE A 81 10.744 -14.130 4.391 1.00 11.21 C ATOM 1221 CD1 PHE A 81 11.214 -15.394 4.077 1.00 24.03 C ATOM 1222 CD2 PHE A 81 10.844 -13.689 5.701 1.00 33.15 C ATOM 1223 CE1 PHE A 81 11.772 -16.202 5.047 1.00 51.45 C ATOM 1224 CE2 PHE A 81 11.401 -14.493 6.676 1.00 30.51 C ATOM 1225 CZ PHE A 81 11.865 -15.750 6.349 1.00 74.22 C ATOM 0 H PHE A 81 8.746 -11.950 1.743 1.00 14.45 H new ATOM 0 HA PHE A 81 8.718 -14.687 2.618 1.00 10.10 H new ATOM 0 HB2 PHE A 81 10.759 -13.295 2.440 1.00 3.51 H new ATOM 0 HB3 PHE A 81 10.140 -12.224 3.681 1.00 3.51 H new ATOM 0 HD1 PHE A 81 11.143 -15.752 3.061 1.00 24.03 H new ATOM 0 HD2 PHE A 81 10.482 -12.706 5.962 1.00 33.15 H new ATOM 0 HE1 PHE A 81 12.135 -17.186 4.789 1.00 51.45 H new ATOM 0 HE2 PHE A 81 11.473 -14.138 7.693 1.00 30.51 H new ATOM 0 HZ PHE A 81 12.301 -16.380 7.110 1.00 74.22 H new ATOM 1235 N PHE A 82 7.337 -12.327 4.449 1.00 15.44 N ATOM 1236 CA PHE A 82 6.393 -12.073 5.528 1.00 35.34 C ATOM 1237 C PHE A 82 5.063 -12.751 5.228 1.00 42.13 C ATOM 1238 O PHE A 82 4.456 -13.366 6.107 1.00 54.14 O ATOM 1239 CB PHE A 82 6.196 -10.561 5.708 1.00 0.24 C ATOM 1240 CG PHE A 82 5.171 -10.193 6.744 1.00 24.33 C ATOM 1241 CD1 PHE A 82 5.454 -10.315 8.094 1.00 64.34 C ATOM 1242 CD2 PHE A 82 3.928 -9.714 6.363 1.00 64.11 C ATOM 1243 CE1 PHE A 82 4.513 -9.969 9.046 1.00 11.10 C ATOM 1244 CE2 PHE A 82 2.982 -9.369 7.309 1.00 64.03 C ATOM 1245 CZ PHE A 82 3.276 -9.495 8.653 1.00 2.34 C ATOM 0 H PHE A 82 7.614 -11.492 3.932 1.00 15.44 H new ATOM 0 HA PHE A 82 6.792 -12.485 6.455 1.00 35.34 H new ATOM 0 HB2 PHE A 82 7.151 -10.111 5.982 1.00 0.24 H new ATOM 0 HB3 PHE A 82 5.902 -10.128 4.752 1.00 0.24 H new ATOM 0 HD1 PHE A 82 6.420 -10.684 8.406 1.00 64.34 H new ATOM 0 HD2 PHE A 82 3.696 -9.609 5.314 1.00 64.11 H new ATOM 0 HE1 PHE A 82 4.745 -10.069 10.096 1.00 11.10 H new ATOM 0 HE2 PHE A 82 2.015 -9.002 6.999 1.00 64.03 H new ATOM 0 HZ PHE A 82 2.540 -9.223 9.395 1.00 2.34 H new ATOM 1255 N SER A 83 4.634 -12.637 3.972 1.00 41.14 N ATOM 1256 CA SER A 83 3.397 -13.243 3.497 1.00 34.04 C ATOM 1257 C SER A 83 2.192 -12.644 4.224 1.00 12.21 C ATOM 1258 O SER A 83 1.781 -13.125 5.282 1.00 1.24 O ATOM 1259 CB SER A 83 3.445 -14.765 3.668 1.00 64.31 C ATOM 1260 OG SER A 83 2.357 -15.395 3.008 1.00 13.43 O ATOM 0 H SER A 83 5.139 -12.118 3.254 1.00 41.14 H new ATOM 0 HA SER A 83 3.289 -13.027 2.434 1.00 34.04 H new ATOM 0 HB2 SER A 83 4.385 -15.148 3.270 1.00 64.31 H new ATOM 0 HB3 SER A 83 3.423 -15.014 4.729 1.00 64.31 H new ATOM 0 HG SER A 83 2.416 -16.365 3.134 1.00 13.43 H new ATOM 1266 N PRO A 84 1.629 -11.561 3.673 1.00 52.32 N ATOM 1267 CA PRO A 84 0.504 -10.865 4.284 1.00 63.21 C ATOM 1268 C PRO A 84 -0.835 -11.541 4.002 1.00 50.11 C ATOM 1269 O PRO A 84 -0.971 -12.316 3.052 1.00 11.43 O ATOM 1270 CB PRO A 84 0.561 -9.487 3.628 1.00 74.45 C ATOM 1271 CG PRO A 84 1.131 -9.740 2.273 1.00 32.32 C ATOM 1272 CD PRO A 84 2.052 -10.929 2.407 1.00 50.31 C ATOM 0 HA PRO A 84 0.575 -10.846 5.371 1.00 63.21 H new ATOM 0 HB2 PRO A 84 -0.430 -9.037 3.564 1.00 74.45 H new ATOM 0 HB3 PRO A 84 1.186 -8.801 4.200 1.00 74.45 H new ATOM 0 HG2 PRO A 84 0.340 -9.943 1.551 1.00 32.32 H new ATOM 0 HG3 PRO A 84 1.675 -8.867 1.913 1.00 32.32 H new ATOM 0 HD2 PRO A 84 1.948 -11.613 1.564 1.00 50.31 H new ATOM 0 HD3 PRO A 84 3.098 -10.623 2.442 1.00 50.31 H new ATOM 1280 N PHE A 85 -1.817 -11.234 4.839 1.00 61.10 N ATOM 1281 CA PHE A 85 -3.170 -11.762 4.701 1.00 61.44 C ATOM 1282 C PHE A 85 -3.781 -11.412 3.340 1.00 52.44 C ATOM 1283 O PHE A 85 -4.653 -12.129 2.851 1.00 12.32 O ATOM 1284 CB PHE A 85 -4.048 -11.211 5.831 1.00 3.24 C ATOM 1285 CG PHE A 85 -5.492 -11.616 5.749 1.00 74.31 C ATOM 1286 CD1 PHE A 85 -5.889 -12.892 6.104 1.00 72.42 C ATOM 1287 CD2 PHE A 85 -6.455 -10.714 5.314 1.00 23.41 C ATOM 1288 CE1 PHE A 85 -7.218 -13.266 6.031 1.00 64.24 C ATOM 1289 CE2 PHE A 85 -7.783 -11.081 5.238 1.00 20.25 C ATOM 1290 CZ PHE A 85 -8.166 -12.360 5.596 1.00 40.43 C ATOM 0 H PHE A 85 -1.698 -10.609 5.636 1.00 61.10 H new ATOM 0 HA PHE A 85 -3.120 -12.849 4.766 1.00 61.44 H new ATOM 0 HB2 PHE A 85 -3.643 -11.546 6.786 1.00 3.24 H new ATOM 0 HB3 PHE A 85 -3.988 -10.123 5.824 1.00 3.24 H new ATOM 0 HD1 PHE A 85 -5.152 -13.605 6.442 1.00 72.42 H new ATOM 0 HD2 PHE A 85 -6.161 -9.714 5.032 1.00 23.41 H new ATOM 0 HE1 PHE A 85 -7.515 -14.265 6.314 1.00 64.24 H new ATOM 0 HE2 PHE A 85 -8.522 -10.370 4.899 1.00 20.25 H new ATOM 0 HZ PHE A 85 -9.204 -12.651 5.536 1.00 40.43 H new ATOM 1300 N ASP A 86 -3.301 -10.320 2.738 1.00 64.34 N ATOM 1301 CA ASP A 86 -3.832 -9.817 1.463 1.00 1.35 C ATOM 1302 C ASP A 86 -5.249 -9.283 1.656 1.00 33.33 C ATOM 1303 O ASP A 86 -6.230 -10.011 1.520 1.00 12.32 O ATOM 1304 CB ASP A 86 -3.804 -10.902 0.368 1.00 32.02 C ATOM 1305 CG ASP A 86 -4.276 -10.399 -0.986 1.00 61.03 C ATOM 1306 OD1 ASP A 86 -3.473 -9.768 -1.701 1.00 33.44 O ATOM 1307 OD2 ASP A 86 -5.443 -10.662 -1.357 1.00 72.54 O ATOM 0 H ASP A 86 -2.537 -9.760 3.117 1.00 64.34 H new ATOM 0 HA ASP A 86 -3.189 -9.002 1.131 1.00 1.35 H new ATOM 0 HB2 ASP A 86 -2.788 -11.286 0.272 1.00 32.02 H new ATOM 0 HB3 ASP A 86 -4.432 -11.737 0.677 1.00 32.02 H new ATOM 1312 N GLY A 87 -5.340 -8.010 2.011 1.00 0.44 N ATOM 1313 CA GLY A 87 -6.624 -7.402 2.300 1.00 43.25 C ATOM 1314 C GLY A 87 -6.528 -6.431 3.457 1.00 73.23 C ATOM 1315 O GLY A 87 -7.170 -6.612 4.493 1.00 50.43 O ATOM 0 H GLY A 87 -4.541 -7.382 2.105 1.00 0.44 H new ATOM 0 HA2 GLY A 87 -6.989 -6.881 1.415 1.00 43.25 H new ATOM 0 HA3 GLY A 87 -7.352 -8.179 2.535 1.00 43.25 H new ATOM 1319 N PHE A 88 -5.707 -5.405 3.283 1.00 55.33 N ATOM 1320 CA PHE A 88 -5.491 -4.405 4.319 1.00 14.54 C ATOM 1321 C PHE A 88 -5.842 -3.022 3.797 1.00 73.41 C ATOM 1322 O PHE A 88 -5.768 -2.769 2.593 1.00 50.44 O ATOM 1323 CB PHE A 88 -4.036 -4.420 4.794 1.00 35.01 C ATOM 1324 CG PHE A 88 -3.634 -5.686 5.492 1.00 31.53 C ATOM 1325 CD1 PHE A 88 -4.008 -5.918 6.806 1.00 31.20 C ATOM 1326 CD2 PHE A 88 -2.874 -6.642 4.838 1.00 2.35 C ATOM 1327 CE1 PHE A 88 -3.634 -7.078 7.455 1.00 51.15 C ATOM 1328 CE2 PHE A 88 -2.496 -7.805 5.482 1.00 43.11 C ATOM 1329 CZ PHE A 88 -2.876 -8.024 6.791 1.00 62.00 C ATOM 0 H PHE A 88 -5.176 -5.243 2.427 1.00 55.33 H new ATOM 0 HA PHE A 88 -6.138 -4.647 5.162 1.00 14.54 H new ATOM 0 HB2 PHE A 88 -3.383 -4.268 3.935 1.00 35.01 H new ATOM 0 HB3 PHE A 88 -3.876 -3.579 5.469 1.00 35.01 H new ATOM 0 HD1 PHE A 88 -4.600 -5.182 7.329 1.00 31.20 H new ATOM 0 HD2 PHE A 88 -2.574 -6.477 3.814 1.00 2.35 H new ATOM 0 HE1 PHE A 88 -3.933 -7.246 8.479 1.00 51.15 H new ATOM 0 HE2 PHE A 88 -1.903 -8.542 4.961 1.00 43.11 H new ATOM 0 HZ PHE A 88 -2.582 -8.933 7.295 1.00 62.00 H new ATOM 1339 N ARG A 89 -6.216 -2.132 4.701 1.00 32.53 N ATOM 1340 CA ARG A 89 -6.579 -0.776 4.325 1.00 63.04 C ATOM 1341 C ARG A 89 -5.396 0.160 4.515 1.00 1.35 C ATOM 1342 O ARG A 89 -5.000 0.448 5.645 1.00 33.43 O ATOM 1343 CB ARG A 89 -7.757 -0.277 5.164 1.00 34.54 C ATOM 1344 CG ARG A 89 -9.001 -1.145 5.076 1.00 21.54 C ATOM 1345 CD ARG A 89 -9.553 -1.205 3.662 1.00 1.44 C ATOM 1346 NE ARG A 89 -10.813 -1.945 3.614 1.00 20.44 N ATOM 1347 CZ ARG A 89 -11.442 -2.294 2.497 1.00 52.30 C ATOM 1348 NH1 ARG A 89 -10.932 -1.988 1.308 1.00 33.14 N ATOM 1349 NH2 ARG A 89 -12.583 -2.967 2.571 1.00 12.45 N ATOM 0 H ARG A 89 -6.276 -2.324 5.701 1.00 32.53 H new ATOM 0 HA ARG A 89 -6.870 -0.786 3.275 1.00 63.04 H new ATOM 0 HB2 ARG A 89 -7.445 -0.215 6.206 1.00 34.54 H new ATOM 0 HB3 ARG A 89 -8.011 0.734 4.847 1.00 34.54 H new ATOM 0 HG2 ARG A 89 -8.765 -2.153 5.416 1.00 21.54 H new ATOM 0 HG3 ARG A 89 -9.765 -0.753 5.747 1.00 21.54 H new ATOM 0 HD2 ARG A 89 -9.708 -0.193 3.287 1.00 1.44 H new ATOM 0 HD3 ARG A 89 -8.825 -1.680 3.005 1.00 1.44 H new ATOM 0 HE ARG A 89 -11.239 -2.212 4.501 1.00 20.44 H new ATOM 0 HH11 ARG A 89 -10.049 -1.480 1.247 1.00 33.14 H new ATOM 0 HH12 ARG A 89 -11.423 -2.261 0.457 1.00 33.14 H new ATOM 0 HH21 ARG A 89 -12.972 -3.213 3.481 1.00 12.45 H new ATOM 0 HH22 ARG A 89 -13.071 -3.238 1.718 1.00 12.45 H new ATOM 1363 N LEU A 90 -4.822 0.615 3.413 1.00 34.54 N ATOM 1364 CA LEU A 90 -3.743 1.588 3.473 1.00 3.02 C ATOM 1365 C LEU A 90 -4.322 2.989 3.603 1.00 34.43 C ATOM 1366 O LEU A 90 -4.537 3.673 2.602 1.00 22.34 O ATOM 1367 CB LEU A 90 -2.860 1.512 2.224 1.00 21.14 C ATOM 1368 CG LEU A 90 -2.129 0.185 2.010 1.00 72.32 C ATOM 1369 CD1 LEU A 90 -1.357 0.216 0.699 1.00 62.32 C ATOM 1370 CD2 LEU A 90 -1.186 -0.104 3.170 1.00 44.33 C ATOM 0 H LEU A 90 -5.084 0.328 2.470 1.00 34.54 H new ATOM 0 HA LEU A 90 -3.127 1.360 4.343 1.00 3.02 H new ATOM 0 HB2 LEU A 90 -3.481 1.709 1.350 1.00 21.14 H new ATOM 0 HB3 LEU A 90 -2.119 2.310 2.276 1.00 21.14 H new ATOM 0 HG LEU A 90 -2.871 -0.613 1.964 1.00 72.32 H new ATOM 0 HD11 LEU A 90 -0.841 -0.734 0.558 1.00 62.32 H new ATOM 0 HD12 LEU A 90 -2.049 0.379 -0.127 1.00 62.32 H new ATOM 0 HD13 LEU A 90 -0.627 1.025 0.726 1.00 62.32 H new ATOM 0 HD21 LEU A 90 -0.677 -1.052 2.997 1.00 44.33 H new ATOM 0 HD22 LEU A 90 -0.449 0.695 3.247 1.00 44.33 H new ATOM 0 HD23 LEU A 90 -1.757 -0.162 4.097 1.00 44.33 H new ATOM 1382 N HIS A 91 -4.608 3.405 4.828 1.00 43.45 N ATOM 1383 CA HIS A 91 -5.212 4.708 5.048 1.00 12.43 C ATOM 1384 C HIS A 91 -4.145 5.794 5.027 1.00 12.24 C ATOM 1385 O HIS A 91 -3.428 5.998 6.007 1.00 55.51 O ATOM 1386 CB HIS A 91 -5.988 4.741 6.371 1.00 1.44 C ATOM 1387 CG HIS A 91 -6.879 5.939 6.510 1.00 11.12 C ATOM 1388 ND1 HIS A 91 -6.823 6.812 7.572 1.00 53.24 N ATOM 1389 CD2 HIS A 91 -7.874 6.395 5.710 1.00 22.33 C ATOM 1390 CE1 HIS A 91 -7.740 7.748 7.421 1.00 22.25 C ATOM 1391 NE2 HIS A 91 -8.393 7.520 6.298 1.00 42.25 N ATOM 0 H HIS A 91 -4.433 2.865 5.676 1.00 43.45 H new ATOM 0 HA HIS A 91 -5.919 4.896 4.240 1.00 12.43 H new ATOM 0 HB2 HIS A 91 -6.592 3.837 6.452 1.00 1.44 H new ATOM 0 HB3 HIS A 91 -5.280 4.726 7.199 1.00 1.44 H new ATOM 0 HD1 HIS A 91 -6.173 6.746 8.355 1.00 53.24 H new ATOM 0 HD2 HIS A 91 -8.199 5.953 4.780 1.00 22.33 H new ATOM 0 HE1 HIS A 91 -7.925 8.565 8.103 1.00 22.25 H new ATOM 1400 N ILE A 92 -4.030 6.464 3.894 1.00 35.20 N ATOM 1401 CA ILE A 92 -3.064 7.537 3.741 1.00 23.42 C ATOM 1402 C ILE A 92 -3.662 8.846 4.235 1.00 2.34 C ATOM 1403 O ILE A 92 -4.696 9.292 3.733 1.00 23.42 O ATOM 1404 CB ILE A 92 -2.616 7.705 2.271 1.00 33.01 C ATOM 1405 CG1 ILE A 92 -2.025 6.395 1.741 1.00 42.31 C ATOM 1406 CG2 ILE A 92 -1.605 8.839 2.150 1.00 14.11 C ATOM 1407 CD1 ILE A 92 -1.557 6.478 0.303 1.00 11.21 C ATOM 0 H ILE A 92 -4.595 6.283 3.064 1.00 35.20 H new ATOM 0 HA ILE A 92 -2.188 7.275 4.335 1.00 23.42 H new ATOM 0 HB ILE A 92 -3.488 7.957 1.668 1.00 33.01 H new ATOM 0 HG12 ILE A 92 -1.185 6.104 2.371 1.00 42.31 H new ATOM 0 HG13 ILE A 92 -2.774 5.608 1.825 1.00 42.31 H new ATOM 0 HG21 ILE A 92 -1.299 8.944 1.109 1.00 14.11 H new ATOM 0 HG22 ILE A 92 -2.059 9.769 2.491 1.00 14.11 H new ATOM 0 HG23 ILE A 92 -0.732 8.615 2.763 1.00 14.11 H new ATOM 0 HD11 ILE A 92 -1.151 5.514 -0.004 1.00 11.21 H new ATOM 0 HD12 ILE A 92 -2.399 6.738 -0.339 1.00 11.21 H new ATOM 0 HD13 ILE A 92 -0.784 7.242 0.215 1.00 11.21 H new ATOM 1419 N ILE A 93 -3.028 9.437 5.232 1.00 51.44 N ATOM 1420 CA ILE A 93 -3.461 10.724 5.746 1.00 41.43 C ATOM 1421 C ILE A 93 -2.919 11.850 4.872 1.00 13.55 C ATOM 1422 O ILE A 93 -1.707 12.073 4.815 1.00 42.14 O ATOM 1423 CB ILE A 93 -2.996 10.939 7.206 1.00 53.11 C ATOM 1424 CG1 ILE A 93 -3.607 9.876 8.123 1.00 64.54 C ATOM 1425 CG2 ILE A 93 -3.360 12.339 7.694 1.00 0.54 C ATOM 1426 CD1 ILE A 93 -5.118 9.926 8.189 1.00 23.32 C ATOM 0 H ILE A 93 -2.211 9.046 5.702 1.00 51.44 H new ATOM 0 HA ILE A 93 -4.551 10.734 5.727 1.00 41.43 H new ATOM 0 HB ILE A 93 -1.911 10.842 7.235 1.00 53.11 H new ATOM 0 HG12 ILE A 93 -3.300 8.889 7.776 1.00 64.54 H new ATOM 0 HG13 ILE A 93 -3.204 10.000 9.128 1.00 64.54 H new ATOM 0 HG21 ILE A 93 -3.022 12.465 8.723 1.00 0.54 H new ATOM 0 HG22 ILE A 93 -2.877 13.082 7.060 1.00 0.54 H new ATOM 0 HG23 ILE A 93 -4.441 12.471 7.648 1.00 0.54 H new ATOM 0 HD11 ILE A 93 -5.479 9.144 8.857 1.00 23.32 H new ATOM 0 HD12 ILE A 93 -5.434 10.899 8.565 1.00 23.32 H new ATOM 0 HD13 ILE A 93 -5.531 9.771 7.192 1.00 23.32 H new ATOM 1438 N ASP A 94 -3.812 12.539 4.178 1.00 3.21 N ATOM 1439 CA ASP A 94 -3.424 13.680 3.361 1.00 52.14 C ATOM 1440 C ASP A 94 -3.236 14.904 4.246 1.00 24.15 C ATOM 1441 O ASP A 94 -4.063 15.819 4.255 1.00 24.11 O ATOM 1442 CB ASP A 94 -4.471 13.984 2.282 1.00 41.23 C ATOM 1443 CG ASP A 94 -4.676 12.852 1.296 1.00 41.50 C ATOM 1444 OD1 ASP A 94 -3.838 12.704 0.377 1.00 53.32 O ATOM 1445 OD2 ASP A 94 -5.688 12.122 1.419 1.00 4.11 O ATOM 0 H ASP A 94 -4.810 12.329 4.164 1.00 3.21 H new ATOM 0 HA ASP A 94 -2.487 13.432 2.863 1.00 52.14 H new ATOM 0 HB2 ASP A 94 -5.422 14.210 2.764 1.00 41.23 H new ATOM 0 HB3 ASP A 94 -4.169 14.878 1.737 1.00 41.23 H new ATOM 1450 N LEU A 95 -2.161 14.901 5.018 1.00 11.04 N ATOM 1451 CA LEU A 95 -1.874 15.998 5.936 1.00 54.55 C ATOM 1452 C LEU A 95 -0.888 16.972 5.310 1.00 32.13 C ATOM 1453 O LEU A 95 -0.385 17.876 5.973 1.00 34.50 O ATOM 1454 CB LEU A 95 -1.325 15.472 7.274 1.00 44.34 C ATOM 1455 CG LEU A 95 0.152 15.043 7.291 1.00 15.31 C ATOM 1456 CD1 LEU A 95 0.597 14.756 8.716 1.00 64.03 C ATOM 1457 CD2 LEU A 95 0.394 13.820 6.417 1.00 54.23 C ATOM 0 H LEU A 95 -1.470 14.151 5.029 1.00 11.04 H new ATOM 0 HA LEU A 95 -2.809 16.522 6.134 1.00 54.55 H new ATOM 0 HB2 LEU A 95 -1.463 16.247 8.027 1.00 44.34 H new ATOM 0 HB3 LEU A 95 -1.931 14.619 7.579 1.00 44.34 H new ATOM 0 HG LEU A 95 0.739 15.866 6.884 1.00 15.31 H new ATOM 0 HD11 LEU A 95 1.644 14.453 8.716 1.00 64.03 H new ATOM 0 HD12 LEU A 95 0.479 15.654 9.322 1.00 64.03 H new ATOM 0 HD13 LEU A 95 -0.013 13.954 9.133 1.00 64.03 H new ATOM 0 HD21 LEU A 95 1.449 13.548 6.455 1.00 54.23 H new ATOM 0 HD22 LEU A 95 -0.209 12.988 6.781 1.00 54.23 H new ATOM 0 HD23 LEU A 95 0.115 14.047 5.388 1.00 54.23 H new ATOM 1469 N ASP A 96 -0.621 16.774 4.027 1.00 31.24 N ATOM 1470 CA ASP A 96 0.294 17.630 3.283 1.00 13.54 C ATOM 1471 C ASP A 96 -0.427 18.893 2.817 1.00 53.41 C ATOM 1472 O ASP A 96 -1.278 18.836 1.927 1.00 23.15 O ATOM 1473 CB ASP A 96 0.859 16.863 2.084 1.00 5.23 C ATOM 1474 CG ASP A 96 1.797 17.697 1.233 1.00 25.44 C ATOM 1475 OD1 ASP A 96 3.010 17.738 1.535 1.00 10.05 O ATOM 1476 OD2 ASP A 96 1.336 18.296 0.238 1.00 72.50 O ATOM 0 H ASP A 96 -1.029 16.020 3.474 1.00 31.24 H new ATOM 0 HA ASP A 96 1.118 17.924 3.934 1.00 13.54 H new ATOM 0 HB2 ASP A 96 1.390 15.981 2.442 1.00 5.23 H new ATOM 0 HB3 ASP A 96 0.034 16.509 1.465 1.00 5.23 H new ATOM 1481 N PRO A 97 -0.120 20.042 3.437 1.00 1.33 N ATOM 1482 CA PRO A 97 -0.762 21.309 3.133 1.00 72.55 C ATOM 1483 C PRO A 97 -0.049 22.059 2.015 1.00 2.53 C ATOM 1484 O PRO A 97 0.986 22.702 2.291 1.00 36.04 O ATOM 1485 CB PRO A 97 -0.664 22.084 4.456 1.00 64.55 C ATOM 1486 CG PRO A 97 0.271 21.302 5.338 1.00 71.04 C ATOM 1487 CD PRO A 97 0.878 20.214 4.490 1.00 72.30 C ATOM 1488 OXT PRO A 97 -0.530 22.014 0.865 1.00 36.04 O ATOM 0 HA PRO A 97 -1.785 21.178 2.780 1.00 72.55 H new ATOM 0 HB2 PRO A 97 -0.287 23.093 4.288 1.00 64.55 H new ATOM 0 HB3 PRO A 97 -1.645 22.184 4.921 1.00 64.55 H new ATOM 0 HG2 PRO A 97 1.047 21.950 5.746 1.00 71.04 H new ATOM 0 HG3 PRO A 97 -0.266 20.875 6.185 1.00 71.04 H new ATOM 0 HD2 PRO A 97 1.847 20.507 4.087 1.00 72.30 H new ATOM 0 HD3 PRO A 97 1.033 19.296 5.057 1.00 72.30 H new TER 1496 PRO A 97