USER MOD reduce.3.24.130724 H: found=0, std=0, add=1216, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 1242 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 ASN : amide:sc= -6.08! C(o=-13!,f=-6.9!) USER MOD Set 1.2: A 98 HIS : no HD1:sc= -7.23! C(o=-13!,f=-6.9!) USER MOD Set 2.1: A 35 LYS NZ :NH3+ -158:sc= 0.993 (180deg=0.674) USER MOD Set 2.2: A 39 SER OG : rot 146:sc= -0.885 USER MOD Single : A 0 HIS : no HD1:sc= -0.234 X(o=-0.23,f=-0.047) USER MOD Single : A 0 HIS N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET CE :methyl -163:sc= -0.979 (180deg=-1.48) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 4 THR OG1 : rot 107:sc= -0.561! USER MOD Single : A 6 LYS NZ :NH3+ 161:sc= -0.0103 (180deg=-0.154) USER MOD Single : A 7 SER OG : rot -39:sc= 0.425 USER MOD Single : A 9 TYR OH : rot 89:sc= -5.96! USER MOD Single : A 13 LYS NZ :NH3+ 152:sc= 0.308 (180deg=0.0856) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 SER OG : rot 179:sc= 0.952 USER MOD Single : A 27 ASN : amide:sc= 0 X(o=0,f=-0.22) USER MOD Single : A 33 CYS SG : rot -59:sc= -4.31! USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ -138:sc= 0.623 (180deg=0.0773) USER MOD Single : A 48 LYS NZ :NH3+ 159:sc= -5.1! (180deg=-6.64!) USER MOD Single : A 49 TYR OH : rot 165:sc= -4.89! USER MOD Single : A 56 THR OG1 : rot 180:sc= -1.22 USER MOD Single : A 59 GLN : amide:sc= -3.05! C(o=-3.1!,f=-9.4!) USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 THR OG1 : rot 180:sc= -0.0683 USER MOD Single : A 91 MET CE :methyl -162:sc= -2.18 (180deg=-3.08!) USER MOD Single : A 92 SER OG : rot -136:sc= 0.558 USER MOD Single : A 95 TYR OH : rot 30:sc= 0 USER MOD Single : A 96 GLN : amide:sc= -2.57! C(o=-2.6!,f=-5!) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 TYR OH : rot -140:sc= -1.97! USER MOD Single : A 108 THR OG1 : rot 180:sc= -1.14! USER MOD Single : A 109 TYR OH : rot 180:sc= -0.779 USER MOD Single : A 110 SER OG : rot -52:sc= -0.14 USER MOD Single : A 113 ASN : amide:sc= -1.98 K(o=-2,f=-3.4!) USER MOD Single : A 114 THR OG1 : rot 180:sc= -1.54! USER MOD Single : B 599 HIS : no HD1:sc= 0 X(o=0,f=-0.0056) USER MOD Single : B 600 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 602 SER OG : rot 180:sc= 0 USER MOD Single : B 605 SER OG : rot 180:sc= 0 USER MOD Single : B 608 LYS NZ :NH3+ -156:sc= -0.0612 (180deg=-0.421) USER MOD Single : B 609 GLN : amide:sc= -1.5 X(o=-1.5,f=-1.4) USER MOD Single : B 616 ASN : amide:sc= -2.33! C(o=-2.3!,f=-1.4!) USER MOD Single : B 626 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N HIS A 0 -21.761 -7.709 6.114 1.00 1.12 N ATOM 2 CA HIS A 0 -21.199 -8.420 4.978 1.00 61.45 C ATOM 3 C HIS A 0 -20.121 -7.558 4.317 1.00 35.31 C ATOM 4 O HIS A 0 -20.399 -6.450 3.863 1.00 72.51 O ATOM 5 CB HIS A 0 -22.298 -8.845 4.004 1.00 53.13 C ATOM 6 CG HIS A 0 -21.988 -10.111 3.242 1.00 32.11 C ATOM 7 ND1 HIS A 0 -22.355 -10.302 1.921 1.00 32.05 N ATOM 8 CD2 HIS A 0 -21.340 -11.248 3.630 1.00 50.51 C ATOM 9 CE1 HIS A 0 -21.944 -11.502 1.541 1.00 52.22 C ATOM 10 NE2 HIS A 0 -21.315 -12.088 2.601 1.00 53.24 N ATOM 0 H1 HIS A 0 -22.493 -8.295 6.563 1.00 1.12 H new ATOM 0 H2 HIS A 0 -21.009 -7.507 6.803 1.00 1.12 H new ATOM 0 H3 HIS A 0 -22.183 -6.815 5.790 1.00 1.12 H new ATOM 0 HA HIS A 0 -20.723 -9.339 5.319 1.00 61.45 H new ATOM 0 HB2 HIS A 0 -23.226 -8.985 4.558 1.00 53.13 H new ATOM 0 HB3 HIS A 0 -22.470 -8.038 3.292 1.00 53.13 H new ATOM 0 HD2 HIS A 0 -20.919 -11.433 4.607 1.00 50.51 H new ATOM 0 HE1 HIS A 0 -22.082 -11.940 0.564 1.00 52.22 H new ATOM 0 HE2 HIS A 0 -20.895 -13.018 2.603 1.00 53.24 H new ATOM 19 N MET A 1 -18.911 -8.100 4.285 1.00 60.44 N ATOM 20 CA MET A 1 -17.791 -7.395 3.687 1.00 22.32 C ATOM 21 C MET A 1 -16.625 -8.348 3.416 1.00 4.00 C ATOM 22 O MET A 1 -16.739 -9.552 3.638 1.00 44.45 O ATOM 23 CB MET A 1 -17.330 -6.279 4.627 1.00 71.22 C ATOM 24 CG MET A 1 -17.378 -6.736 6.086 1.00 15.14 C ATOM 25 SD MET A 1 -15.909 -6.198 6.943 1.00 51.34 S ATOM 26 CE MET A 1 -14.763 -7.463 6.419 1.00 14.51 C ATOM 0 H MET A 1 -18.683 -9.019 4.664 1.00 60.44 H new ATOM 0 HA MET A 1 -18.118 -6.971 2.737 1.00 22.32 H new ATOM 0 HB2 MET A 1 -16.314 -5.978 4.370 1.00 71.22 H new ATOM 0 HB3 MET A 1 -17.965 -5.403 4.496 1.00 71.22 H new ATOM 0 HG2 MET A 1 -18.263 -6.329 6.574 1.00 15.14 H new ATOM 0 HG3 MET A 1 -17.459 -7.822 6.133 1.00 15.14 H new ATOM 0 HE1 MET A 1 -13.896 -7.465 7.080 1.00 14.51 H new ATOM 0 HE2 MET A 1 -15.252 -8.436 6.459 1.00 14.51 H new ATOM 0 HE3 MET A 1 -14.440 -7.261 5.398 1.00 14.51 H new ATOM 36 N LYS A 2 -15.530 -7.774 2.940 1.00 62.51 N ATOM 37 CA LYS A 2 -14.345 -8.556 2.637 1.00 10.34 C ATOM 38 C LYS A 2 -13.101 -7.778 3.068 1.00 43.14 C ATOM 39 O LYS A 2 -12.263 -8.298 3.802 1.00 64.10 O ATOM 40 CB LYS A 2 -14.335 -8.963 1.161 1.00 5.43 C ATOM 41 CG LYS A 2 -15.749 -9.280 0.670 1.00 43.31 C ATOM 42 CD LYS A 2 -15.745 -9.646 -0.815 1.00 21.51 C ATOM 43 CE LYS A 2 -17.009 -10.422 -1.193 1.00 53.32 C ATOM 44 NZ LYS A 2 -16.774 -11.234 -2.409 1.00 45.41 N ATOM 0 H LYS A 2 -15.439 -6.775 2.757 1.00 62.51 H new ATOM 0 HA LYS A 2 -14.349 -9.488 3.202 1.00 10.34 H new ATOM 0 HB2 LYS A 2 -13.910 -8.158 0.561 1.00 5.43 H new ATOM 0 HB3 LYS A 2 -13.695 -9.835 1.025 1.00 5.43 H new ATOM 0 HG2 LYS A 2 -16.163 -10.105 1.250 1.00 43.31 H new ATOM 0 HG3 LYS A 2 -16.396 -8.419 0.834 1.00 43.31 H new ATOM 0 HD2 LYS A 2 -15.677 -8.739 -1.416 1.00 21.51 H new ATOM 0 HD3 LYS A 2 -14.864 -10.246 -1.043 1.00 21.51 H new ATOM 0 HE2 LYS A 2 -17.306 -11.069 -0.368 1.00 53.32 H new ATOM 0 HE3 LYS A 2 -17.831 -9.728 -1.365 1.00 53.32 H new ATOM 0 HZ1 LYS A 2 -17.641 -11.754 -2.652 1.00 45.41 H new ATOM 0 HZ2 LYS A 2 -16.512 -10.609 -3.198 1.00 45.41 H new ATOM 0 HZ3 LYS A 2 -16.003 -11.909 -2.232 1.00 45.41 H new ATOM 58 N SER A 3 -13.019 -6.544 2.594 1.00 55.01 N ATOM 59 CA SER A 3 -11.892 -5.688 2.921 1.00 1.34 C ATOM 60 C SER A 3 -12.018 -5.185 4.360 1.00 53.21 C ATOM 61 O SER A 3 -13.020 -5.441 5.026 1.00 52.14 O ATOM 62 CB SER A 3 -11.795 -4.508 1.951 1.00 61.21 C ATOM 63 OG SER A 3 -11.112 -4.858 0.751 1.00 4.25 O ATOM 0 H SER A 3 -13.716 -6.116 1.985 1.00 55.01 H new ATOM 0 HA SER A 3 -10.978 -6.275 2.827 1.00 1.34 H new ATOM 0 HB2 SER A 3 -12.797 -4.155 1.708 1.00 61.21 H new ATOM 0 HB3 SER A 3 -11.275 -3.682 2.436 1.00 61.21 H new ATOM 0 HG SER A 3 -11.073 -4.079 0.158 1.00 4.25 H new ATOM 69 N THR A 4 -10.986 -4.478 4.798 1.00 53.15 N ATOM 70 CA THR A 4 -10.969 -3.936 6.147 1.00 1.20 C ATOM 71 C THR A 4 -10.208 -2.609 6.179 1.00 34.02 C ATOM 72 O THR A 4 -10.816 -1.543 6.268 1.00 52.13 O ATOM 73 CB THR A 4 -10.377 -4.999 7.075 1.00 73.15 C ATOM 74 OG1 THR A 4 -9.059 -5.205 6.572 1.00 53.12 O ATOM 75 CG2 THR A 4 -11.055 -6.359 6.914 1.00 74.44 C ATOM 0 H THR A 4 -10.156 -4.268 4.243 1.00 53.15 H new ATOM 0 HA THR A 4 -11.976 -3.705 6.494 1.00 1.20 H new ATOM 0 HB THR A 4 -10.468 -4.669 8.110 1.00 73.15 H new ATOM 0 HG1 THR A 4 -8.409 -4.799 7.183 1.00 53.12 H new ATOM 0 HG21 THR A 4 -10.597 -7.077 7.595 1.00 74.44 H new ATOM 0 HG22 THR A 4 -12.116 -6.266 7.144 1.00 74.44 H new ATOM 0 HG23 THR A 4 -10.936 -6.706 5.888 1.00 74.44 H new ATOM 83 N PHE A 5 -8.889 -2.718 6.102 1.00 11.00 N ATOM 84 CA PHE A 5 -8.039 -1.539 6.121 1.00 22.31 C ATOM 85 C PHE A 5 -8.397 -0.587 4.977 1.00 41.51 C ATOM 86 O PHE A 5 -8.239 0.626 5.104 1.00 44.32 O ATOM 87 CB PHE A 5 -6.600 -2.023 5.935 1.00 64.21 C ATOM 88 CG PHE A 5 -5.575 -0.895 5.817 1.00 65.11 C ATOM 89 CD1 PHE A 5 -5.138 -0.253 6.934 1.00 75.11 C ATOM 90 CD2 PHE A 5 -5.099 -0.532 4.595 1.00 10.12 C ATOM 91 CE1 PHE A 5 -4.185 0.795 6.824 1.00 33.11 C ATOM 92 CE2 PHE A 5 -4.147 0.515 4.486 1.00 0.14 C ATOM 93 CZ PHE A 5 -3.709 1.157 5.603 1.00 2.25 C ATOM 0 H PHE A 5 -8.389 -3.604 6.026 1.00 11.00 H new ATOM 0 HA PHE A 5 -8.169 -1.001 7.060 1.00 22.31 H new ATOM 0 HB2 PHE A 5 -6.330 -2.659 6.778 1.00 64.21 H new ATOM 0 HB3 PHE A 5 -6.549 -2.642 5.039 1.00 64.21 H new ATOM 0 HD1 PHE A 5 -5.515 -0.540 7.904 1.00 75.11 H new ATOM 0 HD2 PHE A 5 -5.446 -1.041 3.708 1.00 10.12 H new ATOM 0 HE1 PHE A 5 -3.838 1.304 7.711 1.00 33.11 H new ATOM 0 HE2 PHE A 5 -3.770 0.802 3.516 1.00 0.14 H new ATOM 0 HZ PHE A 5 -2.984 1.953 5.520 1.00 2.25 H new ATOM 103 N LYS A 6 -8.871 -1.173 3.888 1.00 54.43 N ATOM 104 CA LYS A 6 -9.251 -0.393 2.723 1.00 61.10 C ATOM 105 C LYS A 6 -10.737 -0.035 2.817 1.00 23.11 C ATOM 106 O LYS A 6 -11.167 0.987 2.286 1.00 53.24 O ATOM 107 CB LYS A 6 -8.876 -1.131 1.437 1.00 72.11 C ATOM 108 CG LYS A 6 -9.010 -0.214 0.220 1.00 41.42 C ATOM 109 CD LYS A 6 -8.923 -1.015 -1.082 1.00 55.05 C ATOM 110 CE LYS A 6 -10.309 -1.490 -1.524 1.00 11.24 C ATOM 111 NZ LYS A 6 -11.095 -0.362 -2.069 1.00 41.43 N ATOM 0 H LYS A 6 -9.001 -2.180 3.788 1.00 54.43 H new ATOM 0 HA LYS A 6 -8.697 0.546 2.696 1.00 61.10 H new ATOM 0 HB2 LYS A 6 -7.852 -1.498 1.509 1.00 72.11 H new ATOM 0 HB3 LYS A 6 -9.519 -2.002 1.313 1.00 72.11 H new ATOM 0 HG2 LYS A 6 -9.962 0.316 0.262 1.00 41.42 H new ATOM 0 HG3 LYS A 6 -8.224 0.541 0.240 1.00 41.42 H new ATOM 0 HD2 LYS A 6 -8.479 -0.399 -1.864 1.00 55.05 H new ATOM 0 HD3 LYS A 6 -8.267 -1.874 -0.942 1.00 55.05 H new ATOM 0 HE2 LYS A 6 -10.209 -2.269 -2.279 1.00 11.24 H new ATOM 0 HE3 LYS A 6 -10.835 -1.932 -0.678 1.00 11.24 H new ATOM 0 HZ1 LYS A 6 -11.877 -0.731 -2.646 1.00 41.43 H new ATOM 0 HZ2 LYS A 6 -11.480 0.204 -1.286 1.00 41.43 H new ATOM 0 HZ3 LYS A 6 -10.481 0.236 -2.659 1.00 41.43 H new ATOM 125 N SER A 7 -11.477 -0.898 3.498 1.00 32.24 N ATOM 126 CA SER A 7 -12.905 -0.686 3.667 1.00 10.10 C ATOM 127 C SER A 7 -13.154 0.318 4.794 1.00 13.42 C ATOM 128 O SER A 7 -14.301 0.599 5.137 1.00 63.35 O ATOM 129 CB SER A 7 -13.625 -2.003 3.962 1.00 44.33 C ATOM 130 OG SER A 7 -15.043 -1.854 3.935 1.00 52.21 O ATOM 0 H SER A 7 -11.115 -1.744 3.938 1.00 32.24 H new ATOM 0 HA SER A 7 -13.305 -0.285 2.736 1.00 10.10 H new ATOM 0 HB2 SER A 7 -13.325 -2.752 3.229 1.00 44.33 H new ATOM 0 HB3 SER A 7 -13.318 -2.373 4.940 1.00 44.33 H new ATOM 0 HG SER A 7 -15.290 -0.996 4.340 1.00 52.21 H new ATOM 136 N GLU A 8 -12.061 0.832 5.338 1.00 33.03 N ATOM 137 CA GLU A 8 -12.146 1.800 6.419 1.00 53.01 C ATOM 138 C GLU A 8 -12.312 3.211 5.856 1.00 75.05 C ATOM 139 O GLU A 8 -12.972 4.053 6.465 1.00 11.10 O ATOM 140 CB GLU A 8 -10.920 1.714 7.331 1.00 50.33 C ATOM 141 CG GLU A 8 -10.984 2.768 8.437 1.00 33.05 C ATOM 142 CD GLU A 8 -11.663 2.210 9.689 1.00 44.11 C ATOM 143 OE1 GLU A 8 -11.825 2.935 10.682 1.00 71.32 O ATOM 144 OE2 GLU A 8 -12.028 0.975 9.606 1.00 31.12 O ATOM 0 H GLU A 8 -11.111 0.596 5.050 1.00 33.03 H new ATOM 0 HA GLU A 8 -13.023 1.565 7.022 1.00 53.01 H new ATOM 0 HB2 GLU A 8 -10.861 0.720 7.774 1.00 50.33 H new ATOM 0 HB3 GLU A 8 -10.014 1.855 6.742 1.00 50.33 H new ATOM 0 HG2 GLU A 8 -9.976 3.102 8.684 1.00 33.05 H new ATOM 0 HG3 GLU A 8 -11.531 3.641 8.081 1.00 33.05 H new ATOM 152 N TYR A 9 -11.703 3.428 4.700 1.00 11.51 N ATOM 153 CA TYR A 9 -11.777 4.724 4.048 1.00 34.03 C ATOM 154 C TYR A 9 -11.736 4.576 2.525 1.00 13.04 C ATOM 155 O TYR A 9 -11.406 3.509 2.011 1.00 20.14 O ATOM 156 CB TYR A 9 -10.537 5.497 4.505 1.00 23.45 C ATOM 157 CG TYR A 9 -9.280 4.635 4.637 1.00 45.31 C ATOM 158 CD1 TYR A 9 -9.097 3.848 5.756 1.00 32.35 C ATOM 159 CD2 TYR A 9 -8.330 4.642 3.637 1.00 31.32 C ATOM 160 CE1 TYR A 9 -7.915 3.036 5.882 1.00 14.04 C ATOM 161 CE2 TYR A 9 -7.147 3.830 3.762 1.00 14.01 C ATOM 162 CZ TYR A 9 -6.997 3.068 4.877 1.00 24.23 C ATOM 163 OH TYR A 9 -5.881 2.301 4.996 1.00 62.13 O ATOM 0 H TYR A 9 -11.156 2.728 4.198 1.00 11.51 H new ATOM 0 HA TYR A 9 -12.707 5.231 4.307 1.00 34.03 H new ATOM 0 HB2 TYR A 9 -10.341 6.301 3.796 1.00 23.45 H new ATOM 0 HB3 TYR A 9 -10.747 5.965 5.467 1.00 23.45 H new ATOM 0 HD1 TYR A 9 -9.842 3.841 6.538 1.00 32.35 H new ATOM 0 HD2 TYR A 9 -8.473 5.256 2.760 1.00 31.32 H new ATOM 0 HE1 TYR A 9 -7.760 2.416 6.753 1.00 14.04 H new ATOM 0 HE2 TYR A 9 -6.395 3.827 2.986 1.00 14.01 H new ATOM 0 HH TYR A 9 -6.054 1.411 4.624 1.00 62.13 H new ATOM 173 N PRO A 10 -12.088 5.690 1.829 1.00 21.33 N ATOM 174 CA PRO A 10 -12.095 5.694 0.376 1.00 5.43 C ATOM 175 C PRO A 10 -10.671 5.753 -0.180 1.00 23.30 C ATOM 176 O PRO A 10 -9.721 6.003 0.562 1.00 24.20 O ATOM 177 CB PRO A 10 -12.935 6.900 -0.011 1.00 2.54 C ATOM 178 CG PRO A 10 -12.978 7.789 1.222 1.00 23.32 C ATOM 179 CD PRO A 10 -12.486 6.972 2.405 1.00 44.44 C ATOM 0 HA PRO A 10 -12.517 4.781 -0.044 1.00 5.43 H new ATOM 0 HB2 PRO A 10 -12.495 7.427 -0.858 1.00 2.54 H new ATOM 0 HB3 PRO A 10 -13.939 6.598 -0.310 1.00 2.54 H new ATOM 0 HG2 PRO A 10 -12.351 8.669 1.079 1.00 23.32 H new ATOM 0 HG3 PRO A 10 -13.993 8.145 1.400 1.00 23.32 H new ATOM 0 HD2 PRO A 10 -11.648 7.460 2.902 1.00 44.44 H new ATOM 0 HD3 PRO A 10 -13.270 6.845 3.152 1.00 44.44 H new ATOM 187 N PHE A 11 -10.568 5.519 -1.479 1.00 12.11 N ATOM 188 CA PHE A 11 -9.276 5.544 -2.144 1.00 25.15 C ATOM 189 C PHE A 11 -8.634 6.931 -2.044 1.00 3.34 C ATOM 190 O PHE A 11 -7.410 7.052 -2.046 1.00 13.02 O ATOM 191 CB PHE A 11 -9.523 5.214 -3.616 1.00 73.12 C ATOM 192 CG PHE A 11 -8.401 5.668 -4.553 1.00 53.51 C ATOM 193 CD1 PHE A 11 -8.296 6.977 -4.903 1.00 3.24 C ATOM 194 CD2 PHE A 11 -7.509 4.761 -5.035 1.00 64.31 C ATOM 195 CE1 PHE A 11 -7.254 7.398 -5.772 1.00 60.21 C ATOM 196 CE2 PHE A 11 -6.468 5.182 -5.904 1.00 0.24 C ATOM 197 CZ PHE A 11 -6.363 6.491 -6.254 1.00 72.02 C ATOM 0 H PHE A 11 -11.358 5.311 -2.090 1.00 12.11 H new ATOM 0 HA PHE A 11 -8.603 4.827 -1.675 1.00 25.15 H new ATOM 0 HB2 PHE A 11 -9.655 4.137 -3.719 1.00 73.12 H new ATOM 0 HB3 PHE A 11 -10.456 5.681 -3.931 1.00 73.12 H new ATOM 0 HD1 PHE A 11 -9.004 7.697 -4.521 1.00 3.24 H new ATOM 0 HD2 PHE A 11 -7.593 3.721 -4.757 1.00 64.31 H new ATOM 0 HE1 PHE A 11 -7.170 8.438 -6.050 1.00 60.21 H new ATOM 0 HE2 PHE A 11 -5.760 4.462 -6.287 1.00 0.24 H new ATOM 0 HZ PHE A 11 -5.571 6.811 -6.915 1.00 72.02 H new ATOM 207 N GLU A 12 -9.490 7.938 -1.960 1.00 32.21 N ATOM 208 CA GLU A 12 -9.021 9.310 -1.861 1.00 43.50 C ATOM 209 C GLU A 12 -8.306 9.531 -0.527 1.00 41.32 C ATOM 210 O GLU A 12 -7.697 10.578 -0.312 1.00 72.13 O ATOM 211 CB GLU A 12 -10.178 10.298 -2.033 1.00 61.12 C ATOM 212 CG GLU A 12 -10.321 10.725 -3.495 1.00 72.25 C ATOM 213 CD GLU A 12 -11.471 11.719 -3.667 1.00 53.25 C ATOM 214 OE1 GLU A 12 -12.542 11.348 -4.169 1.00 30.14 O ATOM 215 OE2 GLU A 12 -11.223 12.917 -3.253 1.00 20.32 O ATOM 0 H GLU A 12 -10.504 7.832 -1.958 1.00 32.21 H new ATOM 0 HA GLU A 12 -8.309 9.490 -2.667 1.00 43.50 H new ATOM 0 HB2 GLU A 12 -11.106 9.840 -1.692 1.00 61.12 H new ATOM 0 HB3 GLU A 12 -10.008 11.175 -1.409 1.00 61.12 H new ATOM 0 HG2 GLU A 12 -9.390 11.177 -3.838 1.00 72.25 H new ATOM 0 HG3 GLU A 12 -10.498 9.848 -4.118 1.00 72.25 H new ATOM 223 N LYS A 13 -8.405 8.529 0.335 1.00 5.43 N ATOM 224 CA LYS A 13 -7.774 8.602 1.642 1.00 64.41 C ATOM 225 C LYS A 13 -6.461 7.818 1.614 1.00 40.34 C ATOM 226 O LYS A 13 -5.426 8.319 2.048 1.00 3.22 O ATOM 227 CB LYS A 13 -8.745 8.138 2.731 1.00 65.01 C ATOM 228 CG LYS A 13 -8.031 7.998 4.076 1.00 14.12 C ATOM 229 CD LYS A 13 -7.859 9.361 4.751 1.00 72.31 C ATOM 230 CE LYS A 13 -9.031 9.660 5.688 1.00 2.41 C ATOM 231 NZ LYS A 13 -8.820 9.015 7.005 1.00 34.20 N ATOM 0 H LYS A 13 -8.912 7.663 0.154 1.00 5.43 H new ATOM 0 HA LYS A 13 -7.524 9.634 1.888 1.00 64.41 H new ATOM 0 HB2 LYS A 13 -9.564 8.852 2.822 1.00 65.01 H new ATOM 0 HB3 LYS A 13 -9.186 7.182 2.448 1.00 65.01 H new ATOM 0 HG2 LYS A 13 -8.601 7.335 4.727 1.00 14.12 H new ATOM 0 HG3 LYS A 13 -7.055 7.536 3.927 1.00 14.12 H new ATOM 0 HD2 LYS A 13 -6.926 9.377 5.314 1.00 72.31 H new ATOM 0 HD3 LYS A 13 -7.787 10.140 3.992 1.00 72.31 H new ATOM 0 HE2 LYS A 13 -9.136 10.737 5.817 1.00 2.41 H new ATOM 0 HE3 LYS A 13 -9.960 9.300 5.245 1.00 2.41 H new ATOM 0 HZ1 LYS A 13 -9.308 9.563 7.742 1.00 34.20 H new ATOM 0 HZ2 LYS A 13 -9.201 8.048 6.983 1.00 34.20 H new ATOM 0 HZ3 LYS A 13 -7.802 8.981 7.216 1.00 34.20 H new ATOM 245 N ARG A 14 -6.547 6.601 1.098 1.00 61.35 N ATOM 246 CA ARG A 14 -5.378 5.742 1.007 1.00 70.54 C ATOM 247 C ARG A 14 -4.345 6.351 0.056 1.00 72.40 C ATOM 248 O ARG A 14 -3.150 6.349 0.349 1.00 21.25 O ATOM 249 CB ARG A 14 -5.757 4.345 0.511 1.00 65.45 C ATOM 250 CG ARG A 14 -5.971 4.340 -1.004 1.00 13.40 C ATOM 251 CD ARG A 14 -6.447 2.970 -1.486 1.00 22.22 C ATOM 252 NE ARG A 14 -5.401 1.953 -1.235 1.00 41.21 N ATOM 253 CZ ARG A 14 -5.298 1.240 -0.094 1.00 43.14 C ATOM 254 NH1 ARG A 14 -6.179 1.425 0.912 1.00 33.03 N ATOM 255 NH2 ARG A 14 -4.324 0.358 0.024 1.00 2.22 N ATOM 0 H ARG A 14 -7.408 6.189 0.738 1.00 61.35 H new ATOM 0 HA ARG A 14 -4.951 5.656 2.006 1.00 70.54 H new ATOM 0 HB2 ARG A 14 -4.971 3.637 0.773 1.00 65.45 H new ATOM 0 HB3 ARG A 14 -6.666 4.012 1.011 1.00 65.45 H new ATOM 0 HG2 ARG A 14 -6.705 5.099 -1.274 1.00 13.40 H new ATOM 0 HG3 ARG A 14 -5.041 4.603 -1.507 1.00 13.40 H new ATOM 0 HD2 ARG A 14 -7.366 2.693 -0.970 1.00 22.22 H new ATOM 0 HD3 ARG A 14 -6.679 3.010 -2.550 1.00 22.22 H new ATOM 0 HE ARG A 14 -4.715 1.780 -1.970 1.00 41.21 H new ATOM 0 HH11 ARG A 14 -6.930 2.108 0.813 1.00 33.03 H new ATOM 0 HH12 ARG A 14 -6.094 0.882 1.771 1.00 33.03 H new ATOM 0 HH21 ARG A 14 -3.663 0.223 -0.741 1.00 2.22 H new ATOM 0 HH22 ARG A 14 -4.232 -0.189 0.880 1.00 2.22 H new ATOM 269 N LYS A 15 -4.843 6.857 -1.062 1.00 2.20 N ATOM 270 CA LYS A 15 -3.978 7.467 -2.057 1.00 31.35 C ATOM 271 C LYS A 15 -3.170 8.591 -1.405 1.00 5.31 C ATOM 272 O LYS A 15 -1.985 8.754 -1.692 1.00 31.23 O ATOM 273 CB LYS A 15 -4.794 7.922 -3.269 1.00 63.02 C ATOM 274 CG LYS A 15 -5.215 9.386 -3.129 1.00 33.43 C ATOM 275 CD LYS A 15 -6.140 9.803 -4.275 1.00 1.00 C ATOM 276 CE LYS A 15 -6.425 11.305 -4.230 1.00 21.04 C ATOM 277 NZ LYS A 15 -6.343 11.889 -5.588 1.00 61.42 N ATOM 0 H LYS A 15 -5.835 6.857 -1.301 1.00 2.20 H new ATOM 0 HA LYS A 15 -3.262 6.738 -2.437 1.00 31.35 H new ATOM 0 HB2 LYS A 15 -4.205 7.795 -4.177 1.00 63.02 H new ATOM 0 HB3 LYS A 15 -5.679 7.294 -3.373 1.00 63.02 H new ATOM 0 HG2 LYS A 15 -5.723 9.533 -2.176 1.00 33.43 H new ATOM 0 HG3 LYS A 15 -4.331 10.023 -3.121 1.00 33.43 H new ATOM 0 HD2 LYS A 15 -5.682 9.545 -5.230 1.00 1.00 H new ATOM 0 HD3 LYS A 15 -7.077 9.249 -4.211 1.00 1.00 H new ATOM 0 HE2 LYS A 15 -7.416 11.481 -3.811 1.00 21.04 H new ATOM 0 HE3 LYS A 15 -5.709 11.797 -3.572 1.00 21.04 H new ATOM 0 HZ1 LYS A 15 -6.539 12.909 -5.540 1.00 61.42 H new ATOM 0 HZ2 LYS A 15 -5.389 11.738 -5.974 1.00 61.42 H new ATOM 0 HZ3 LYS A 15 -7.043 11.431 -6.206 1.00 61.42 H new ATOM 291 N ALA A 16 -3.842 9.334 -0.538 1.00 43.45 N ATOM 292 CA ALA A 16 -3.201 10.437 0.159 1.00 33.41 C ATOM 293 C ALA A 16 -2.341 9.884 1.297 1.00 52.13 C ATOM 294 O ALA A 16 -1.440 10.565 1.786 1.00 11.03 O ATOM 295 CB ALA A 16 -4.266 11.415 0.655 1.00 50.03 C ATOM 0 H ALA A 16 -4.824 9.194 -0.302 1.00 43.45 H new ATOM 0 HA ALA A 16 -2.543 10.986 -0.514 1.00 33.41 H new ATOM 0 HB1 ALA A 16 -3.785 12.242 1.178 1.00 50.03 H new ATOM 0 HB2 ALA A 16 -4.829 11.801 -0.195 1.00 50.03 H new ATOM 0 HB3 ALA A 16 -4.944 10.900 1.336 1.00 50.03 H new ATOM 301 N GLU A 17 -2.647 8.654 1.685 1.00 45.42 N ATOM 302 CA GLU A 17 -1.914 8.004 2.756 1.00 11.22 C ATOM 303 C GLU A 17 -0.535 7.560 2.262 1.00 13.51 C ATOM 304 O GLU A 17 0.486 7.966 2.813 1.00 44.12 O ATOM 305 CB GLU A 17 -2.703 6.819 3.319 1.00 32.21 C ATOM 306 CG GLU A 17 -1.894 6.082 4.390 1.00 41.44 C ATOM 307 CD GLU A 17 -1.213 7.069 5.340 1.00 1.55 C ATOM 308 OE1 GLU A 17 -1.869 7.985 5.856 1.00 64.25 O ATOM 309 OE2 GLU A 17 0.045 6.858 5.534 1.00 63.21 O ATOM 0 H GLU A 17 -3.393 8.091 1.276 1.00 45.42 H new ATOM 0 HA GLU A 17 -1.775 8.723 3.564 1.00 11.22 H new ATOM 0 HB2 GLU A 17 -3.642 7.172 3.746 1.00 32.21 H new ATOM 0 HB3 GLU A 17 -2.958 6.131 2.513 1.00 32.21 H new ATOM 0 HG2 GLU A 17 -2.551 5.421 4.956 1.00 41.44 H new ATOM 0 HG3 GLU A 17 -1.142 5.453 3.914 1.00 41.44 H new ATOM 317 N SER A 18 -0.551 6.730 1.228 1.00 32.43 N ATOM 318 CA SER A 18 0.685 6.226 0.654 1.00 63.41 C ATOM 319 C SER A 18 1.568 7.393 0.209 1.00 73.40 C ATOM 320 O SER A 18 2.766 7.221 -0.012 1.00 73.04 O ATOM 321 CB SER A 18 0.403 5.292 -0.524 1.00 72.20 C ATOM 322 OG SER A 18 -0.872 5.540 -1.109 1.00 23.24 O ATOM 0 H SER A 18 -1.400 6.394 0.774 1.00 32.43 H new ATOM 0 HA SER A 18 1.210 5.653 1.418 1.00 63.41 H new ATOM 0 HB2 SER A 18 1.179 5.417 -1.279 1.00 72.20 H new ATOM 0 HB3 SER A 18 0.451 4.257 -0.186 1.00 72.20 H new ATOM 0 HG SER A 18 -1.010 4.930 -1.864 1.00 23.24 H new ATOM 328 N GLU A 19 0.942 8.554 0.088 1.00 72.31 N ATOM 329 CA GLU A 19 1.656 9.750 -0.328 1.00 1.34 C ATOM 330 C GLU A 19 2.635 10.191 0.763 1.00 3.30 C ATOM 331 O GLU A 19 3.784 10.518 0.475 1.00 22.02 O ATOM 332 CB GLU A 19 0.682 10.876 -0.678 1.00 51.31 C ATOM 333 CG GLU A 19 0.111 10.689 -2.085 1.00 25.43 C ATOM 334 CD GLU A 19 0.985 11.386 -3.130 1.00 10.12 C ATOM 335 OE1 GLU A 19 1.058 12.625 -3.150 1.00 65.44 O ATOM 336 OE2 GLU A 19 1.603 10.596 -3.938 1.00 13.54 O ATOM 0 H GLU A 19 -0.052 8.693 0.271 1.00 72.31 H new ATOM 0 HA GLU A 19 2.226 9.515 -1.227 1.00 1.34 H new ATOM 0 HB2 GLU A 19 -0.131 10.898 0.048 1.00 51.31 H new ATOM 0 HB3 GLU A 19 1.193 11.837 -0.614 1.00 51.31 H new ATOM 0 HG2 GLU A 19 0.042 9.626 -2.315 1.00 25.43 H new ATOM 0 HG3 GLU A 19 -0.901 11.091 -2.127 1.00 25.43 H new ATOM 344 N ARG A 20 2.142 10.183 1.994 1.00 64.42 N ATOM 345 CA ARG A 20 2.958 10.579 3.128 1.00 61.32 C ATOM 346 C ARG A 20 3.948 9.467 3.483 1.00 72.54 C ATOM 347 O ARG A 20 4.994 9.728 4.073 1.00 12.42 O ATOM 348 CB ARG A 20 2.091 10.888 4.350 1.00 21.21 C ATOM 349 CG ARG A 20 1.270 9.664 4.763 1.00 4.23 C ATOM 350 CD ARG A 20 1.095 9.610 6.283 1.00 54.55 C ATOM 351 NE ARG A 20 -0.168 10.278 6.672 1.00 51.32 N ATOM 352 CZ ARG A 20 -0.785 10.097 7.858 1.00 55.13 C ATOM 353 NH1 ARG A 20 -0.261 9.266 8.783 1.00 61.44 N ATOM 354 NH2 ARG A 20 -1.910 10.744 8.099 1.00 74.03 N ATOM 0 H ARG A 20 1.188 9.909 2.230 1.00 64.42 H new ATOM 0 HA ARG A 20 3.503 11.480 2.846 1.00 61.32 H new ATOM 0 HB2 ARG A 20 2.724 11.203 5.180 1.00 21.21 H new ATOM 0 HB3 ARG A 20 1.423 11.720 4.126 1.00 21.21 H new ATOM 0 HG2 ARG A 20 0.293 9.698 4.282 1.00 4.23 H new ATOM 0 HG3 ARG A 20 1.765 8.756 4.418 1.00 4.23 H new ATOM 0 HD2 ARG A 20 1.086 8.573 6.620 1.00 54.55 H new ATOM 0 HD3 ARG A 20 1.939 10.097 6.772 1.00 54.55 H new ATOM 0 HE ARG A 20 -0.598 10.915 6.001 1.00 51.32 H new ATOM 0 HH11 ARG A 20 0.608 8.769 8.588 1.00 61.44 H new ATOM 0 HH12 ARG A 20 -0.734 9.135 9.677 1.00 61.44 H new ATOM 0 HH21 ARG A 20 -2.300 11.369 7.394 1.00 74.03 H new ATOM 0 HH22 ARG A 20 -2.389 10.619 8.991 1.00 74.03 H new ATOM 368 N ILE A 21 3.580 8.251 3.109 1.00 62.20 N ATOM 369 CA ILE A 21 4.423 7.097 3.380 1.00 14.54 C ATOM 370 C ILE A 21 5.710 7.208 2.561 1.00 33.24 C ATOM 371 O ILE A 21 6.729 6.616 2.916 1.00 12.23 O ATOM 372 CB ILE A 21 3.650 5.799 3.137 1.00 70.13 C ATOM 373 CG1 ILE A 21 2.886 5.374 4.393 1.00 52.51 C ATOM 374 CG2 ILE A 21 4.578 4.696 2.628 1.00 40.52 C ATOM 375 CD1 ILE A 21 1.796 4.355 4.052 1.00 64.42 C ATOM 0 H ILE A 21 2.710 8.039 2.621 1.00 62.20 H new ATOM 0 HA ILE A 21 4.713 7.076 4.430 1.00 14.54 H new ATOM 0 HB ILE A 21 2.911 5.981 2.357 1.00 70.13 H new ATOM 0 HG12 ILE A 21 3.579 4.943 5.116 1.00 52.51 H new ATOM 0 HG13 ILE A 21 2.437 6.249 4.864 1.00 52.51 H new ATOM 0 HG21 ILE A 21 4.004 3.784 2.463 1.00 40.52 H new ATOM 0 HG22 ILE A 21 5.037 5.010 1.690 1.00 40.52 H new ATOM 0 HG23 ILE A 21 5.357 4.506 3.367 1.00 40.52 H new ATOM 0 HD11 ILE A 21 1.268 4.069 4.962 1.00 64.42 H new ATOM 0 HD12 ILE A 21 1.092 4.797 3.347 1.00 64.42 H new ATOM 0 HD13 ILE A 21 2.251 3.472 3.604 1.00 64.42 H new ATOM 387 N ALA A 22 5.624 7.972 1.482 1.00 53.32 N ATOM 388 CA ALA A 22 6.769 8.168 0.610 1.00 24.25 C ATOM 389 C ALA A 22 7.829 8.991 1.345 1.00 24.12 C ATOM 390 O ALA A 22 8.991 9.017 0.942 1.00 11.34 O ATOM 391 CB ALA A 22 6.313 8.834 -0.690 1.00 5.11 C ATOM 0 H ALA A 22 4.778 8.463 1.192 1.00 53.32 H new ATOM 0 HA ALA A 22 7.218 7.211 0.346 1.00 24.25 H new ATOM 0 HB1 ALA A 22 7.172 8.981 -1.344 1.00 5.11 H new ATOM 0 HB2 ALA A 22 5.582 8.197 -1.188 1.00 5.11 H new ATOM 0 HB3 ALA A 22 5.859 9.799 -0.465 1.00 5.11 H new ATOM 397 N ASP A 23 7.391 9.643 2.412 1.00 25.10 N ATOM 398 CA ASP A 23 8.288 10.465 3.207 1.00 52.05 C ATOM 399 C ASP A 23 8.677 9.706 4.477 1.00 73.32 C ATOM 400 O ASP A 23 9.833 9.738 4.893 1.00 52.31 O ATOM 401 CB ASP A 23 7.610 11.771 3.626 1.00 42.33 C ATOM 402 CG ASP A 23 8.514 12.760 4.366 1.00 74.04 C ATOM 403 OD1 ASP A 23 9.341 13.451 3.753 1.00 25.13 O ATOM 404 OD2 ASP A 23 8.343 12.805 5.644 1.00 10.42 O ATOM 0 H ASP A 23 6.427 9.619 2.745 1.00 25.10 H new ATOM 0 HA ASP A 23 9.165 10.691 2.601 1.00 52.05 H new ATOM 0 HB2 ASP A 23 7.214 12.260 2.736 1.00 42.33 H new ATOM 0 HB3 ASP A 23 6.759 11.533 4.264 1.00 42.33 H new ATOM 410 N ARG A 24 7.689 9.041 5.056 1.00 2.03 N ATOM 411 CA ARG A 24 7.913 8.275 6.270 1.00 72.20 C ATOM 412 C ARG A 24 8.838 7.090 5.987 1.00 42.41 C ATOM 413 O ARG A 24 9.623 6.690 6.846 1.00 42.21 O ATOM 414 CB ARG A 24 6.593 7.756 6.846 1.00 3.23 C ATOM 415 CG ARG A 24 6.032 8.725 7.889 1.00 41.44 C ATOM 416 CD ARG A 24 6.601 8.429 9.276 1.00 53.35 C ATOM 417 NE ARG A 24 6.029 7.169 9.801 1.00 3.11 N ATOM 418 CZ ARG A 24 4.879 7.095 10.504 1.00 64.41 C ATOM 419 NH1 ARG A 24 4.168 8.210 10.773 1.00 24.30 N ATOM 420 NH2 ARG A 24 4.460 5.916 10.924 1.00 54.54 N ATOM 0 H ARG A 24 6.731 9.017 4.707 1.00 2.03 H new ATOM 0 HA ARG A 24 8.379 8.938 6.999 1.00 72.20 H new ATOM 0 HB2 ARG A 24 5.869 7.622 6.042 1.00 3.23 H new ATOM 0 HB3 ARG A 24 6.750 6.778 7.300 1.00 3.23 H new ATOM 0 HG2 ARG A 24 6.272 9.749 7.605 1.00 41.44 H new ATOM 0 HG3 ARG A 24 4.945 8.648 7.914 1.00 41.44 H new ATOM 0 HD2 ARG A 24 7.687 8.350 9.223 1.00 53.35 H new ATOM 0 HD3 ARG A 24 6.373 9.251 9.954 1.00 53.35 H new ATOM 0 HE ARG A 24 6.535 6.302 9.620 1.00 3.11 H new ATOM 0 HH11 ARG A 24 4.499 9.117 10.444 1.00 24.30 H new ATOM 0 HH12 ARG A 24 3.300 8.145 11.305 1.00 24.30 H new ATOM 0 HH21 ARG A 24 5.003 5.078 10.716 1.00 54.54 H new ATOM 0 HH22 ARG A 24 3.593 5.843 11.456 1.00 54.54 H new ATOM 434 N PHE A 25 8.716 6.561 4.778 1.00 64.32 N ATOM 435 CA PHE A 25 9.533 5.430 4.371 1.00 21.45 C ATOM 436 C PHE A 25 9.590 5.316 2.846 1.00 22.31 C ATOM 437 O PHE A 25 8.796 4.596 2.243 1.00 4.20 O ATOM 438 CB PHE A 25 8.871 4.173 4.939 1.00 21.33 C ATOM 439 CG PHE A 25 8.496 4.283 6.418 1.00 40.00 C ATOM 440 CD1 PHE A 25 9.461 4.203 7.373 1.00 62.14 C ATOM 441 CD2 PHE A 25 7.196 4.459 6.779 1.00 31.32 C ATOM 442 CE1 PHE A 25 9.113 4.304 8.745 1.00 33.12 C ATOM 443 CE2 PHE A 25 6.848 4.560 8.152 1.00 64.13 C ATOM 444 CZ PHE A 25 7.813 4.481 9.106 1.00 35.34 C ATOM 0 H PHE A 25 8.064 6.894 4.068 1.00 64.32 H new ATOM 0 HA PHE A 25 10.552 5.555 4.738 1.00 21.45 H new ATOM 0 HB2 PHE A 25 7.972 3.955 4.362 1.00 21.33 H new ATOM 0 HB3 PHE A 25 9.547 3.328 4.808 1.00 21.33 H new ATOM 0 HD1 PHE A 25 10.493 4.063 7.087 1.00 62.14 H new ATOM 0 HD2 PHE A 25 6.429 4.522 6.021 1.00 31.32 H new ATOM 0 HE1 PHE A 25 9.880 4.240 9.503 1.00 33.12 H new ATOM 0 HE2 PHE A 25 5.816 4.700 8.438 1.00 64.13 H new ATOM 0 HZ PHE A 25 7.548 4.559 10.150 1.00 35.34 H new ATOM 454 N PRO A 26 10.562 6.057 2.251 1.00 41.11 N ATOM 455 CA PRO A 26 10.734 6.048 0.808 1.00 13.25 C ATOM 456 C PRO A 26 11.393 4.747 0.344 1.00 62.02 C ATOM 457 O PRO A 26 11.386 4.434 -0.846 1.00 74.20 O ATOM 458 CB PRO A 26 11.570 7.280 0.503 1.00 14.12 C ATOM 459 CG PRO A 26 12.225 7.676 1.816 1.00 11.53 C ATOM 460 CD PRO A 26 11.520 6.922 2.934 1.00 22.31 C ATOM 0 HA PRO A 26 9.786 6.085 0.271 1.00 13.25 H new ATOM 0 HB2 PRO A 26 12.320 7.064 -0.258 1.00 14.12 H new ATOM 0 HB3 PRO A 26 10.948 8.088 0.118 1.00 14.12 H new ATOM 0 HG2 PRO A 26 13.287 7.432 1.802 1.00 11.53 H new ATOM 0 HG3 PRO A 26 12.147 8.752 1.973 1.00 11.53 H new ATOM 0 HD2 PRO A 26 12.226 6.340 3.526 1.00 22.31 H new ATOM 0 HD3 PRO A 26 11.018 7.606 3.618 1.00 22.31 H new ATOM 468 N ASN A 27 11.947 4.025 1.307 1.00 3.54 N ATOM 469 CA ASN A 27 12.609 2.766 1.011 1.00 53.31 C ATOM 470 C ASN A 27 11.746 1.609 1.518 1.00 42.04 C ATOM 471 O ASN A 27 12.241 0.709 2.193 1.00 41.30 O ATOM 472 CB ASN A 27 13.968 2.682 1.709 1.00 71.12 C ATOM 473 CG ASN A 27 14.767 3.971 1.511 1.00 53.14 C ATOM 474 OD1 ASN A 27 14.718 4.609 0.473 1.00 72.44 O ATOM 475 ND2 ASN A 27 15.504 4.319 2.563 1.00 54.31 N ATOM 0 H ASN A 27 11.951 4.288 2.293 1.00 3.54 H new ATOM 0 HA ASN A 27 12.752 2.706 -0.068 1.00 53.31 H new ATOM 0 HB2 ASN A 27 13.823 2.500 2.774 1.00 71.12 H new ATOM 0 HB3 ASN A 27 14.532 1.836 1.315 1.00 71.12 H new ATOM 0 HD21 ASN A 27 16.073 5.165 2.530 1.00 54.31 H new ATOM 0 HD22 ASN A 27 15.500 3.740 3.403 1.00 54.31 H new ATOM 482 N ARG A 28 10.468 1.672 1.173 1.00 14.04 N ATOM 483 CA ARG A 28 9.529 0.641 1.584 1.00 70.34 C ATOM 484 C ARG A 28 8.653 0.220 0.403 1.00 20.11 C ATOM 485 O ARG A 28 8.802 0.739 -0.701 1.00 11.54 O ATOM 486 CB ARG A 28 8.637 1.133 2.725 1.00 32.42 C ATOM 487 CG ARG A 28 9.339 0.976 4.077 1.00 75.13 C ATOM 488 CD ARG A 28 9.486 -0.500 4.449 1.00 41.41 C ATOM 489 NE ARG A 28 9.670 -0.636 5.913 1.00 33.42 N ATOM 490 CZ ARG A 28 8.732 -0.306 6.825 1.00 25.54 C ATOM 491 NH1 ARG A 28 7.535 0.183 6.435 1.00 25.31 N ATOM 492 NH2 ARG A 28 9.003 -0.469 8.108 1.00 71.52 N ATOM 0 H ARG A 28 10.061 2.421 0.613 1.00 14.04 H new ATOM 0 HA ARG A 28 10.107 -0.215 1.934 1.00 70.34 H new ATOM 0 HB2 ARG A 28 8.379 2.180 2.564 1.00 32.42 H new ATOM 0 HB3 ARG A 28 7.703 0.572 2.729 1.00 32.42 H new ATOM 0 HG2 ARG A 28 10.322 1.444 4.037 1.00 75.13 H new ATOM 0 HG3 ARG A 28 8.770 1.495 4.849 1.00 75.13 H new ATOM 0 HD2 ARG A 28 8.602 -1.054 4.132 1.00 41.41 H new ATOM 0 HD3 ARG A 28 10.338 -0.933 3.925 1.00 41.41 H new ATOM 0 HE ARG A 28 10.560 -1.001 6.252 1.00 33.42 H new ATOM 0 HH11 ARG A 28 7.333 0.306 5.443 1.00 25.31 H new ATOM 0 HH12 ARG A 28 6.833 0.429 7.133 1.00 25.31 H new ATOM 0 HH21 ARG A 28 9.909 -0.839 8.395 1.00 71.52 H new ATOM 0 HH22 ARG A 28 8.306 -0.225 8.812 1.00 71.52 H new ATOM 506 N ILE A 29 7.755 -0.715 0.678 1.00 73.21 N ATOM 507 CA ILE A 29 6.852 -1.211 -0.347 1.00 73.02 C ATOM 508 C ILE A 29 5.482 -1.486 0.274 1.00 4.10 C ATOM 509 O ILE A 29 5.265 -2.542 0.865 1.00 71.12 O ATOM 510 CB ILE A 29 7.461 -2.424 -1.055 1.00 63.20 C ATOM 511 CG1 ILE A 29 8.810 -2.072 -1.686 1.00 33.13 C ATOM 512 CG2 ILE A 29 6.486 -3.009 -2.078 1.00 31.31 C ATOM 513 CD1 ILE A 29 8.637 -1.063 -2.822 1.00 4.23 C ATOM 0 H ILE A 29 7.633 -1.142 1.596 1.00 73.21 H new ATOM 0 HA ILE A 29 6.705 -0.458 -1.121 1.00 73.02 H new ATOM 0 HB ILE A 29 7.647 -3.196 -0.308 1.00 63.20 H new ATOM 0 HG12 ILE A 29 9.474 -1.660 -0.927 1.00 33.13 H new ATOM 0 HG13 ILE A 29 9.284 -2.976 -2.067 1.00 33.13 H new ATOM 0 HG21 ILE A 29 6.944 -3.869 -2.566 1.00 31.31 H new ATOM 0 HG22 ILE A 29 5.573 -3.322 -1.572 1.00 31.31 H new ATOM 0 HG23 ILE A 29 6.246 -2.253 -2.825 1.00 31.31 H new ATOM 0 HD11 ILE A 29 9.611 -0.830 -3.253 1.00 4.23 H new ATOM 0 HD12 ILE A 29 7.992 -1.488 -3.591 1.00 4.23 H new ATOM 0 HD13 ILE A 29 8.185 -0.151 -2.433 1.00 4.23 H new ATOM 525 N PRO A 30 4.570 -0.490 0.116 1.00 11.44 N ATOM 526 CA PRO A 30 3.226 -0.614 0.655 1.00 41.20 C ATOM 527 C PRO A 30 2.382 -1.569 -0.190 1.00 64.02 C ATOM 528 O PRO A 30 2.235 -1.371 -1.395 1.00 31.24 O ATOM 529 CB PRO A 30 2.678 0.803 0.676 1.00 23.13 C ATOM 530 CG PRO A 30 3.552 1.602 -0.277 1.00 14.13 C ATOM 531 CD PRO A 30 4.792 0.776 -0.577 1.00 23.23 C ATOM 0 HA PRO A 30 3.213 -1.047 1.655 1.00 41.20 H new ATOM 0 HB2 PRO A 30 1.635 0.823 0.359 1.00 23.13 H new ATOM 0 HB3 PRO A 30 2.714 1.221 1.682 1.00 23.13 H new ATOM 0 HG2 PRO A 30 3.010 1.824 -1.196 1.00 14.13 H new ATOM 0 HG3 PRO A 30 3.829 2.557 0.169 1.00 14.13 H new ATOM 0 HD2 PRO A 30 4.917 0.624 -1.649 1.00 23.23 H new ATOM 0 HD3 PRO A 30 5.694 1.271 -0.218 1.00 23.23 H new ATOM 539 N VAL A 31 1.849 -2.583 0.474 1.00 35.55 N ATOM 540 CA VAL A 31 1.023 -3.570 -0.201 1.00 53.01 C ATOM 541 C VAL A 31 -0.237 -3.828 0.628 1.00 30.13 C ATOM 542 O VAL A 31 -0.364 -3.325 1.744 1.00 73.51 O ATOM 543 CB VAL A 31 1.834 -4.840 -0.465 1.00 32.41 C ATOM 544 CG1 VAL A 31 3.315 -4.512 -0.666 1.00 75.34 C ATOM 545 CG2 VAL A 31 1.646 -5.855 0.664 1.00 45.11 C ATOM 0 H VAL A 31 1.973 -2.743 1.474 1.00 35.55 H new ATOM 0 HA VAL A 31 0.702 -3.197 -1.174 1.00 53.01 H new ATOM 0 HB VAL A 31 1.462 -5.290 -1.385 1.00 32.41 H new ATOM 0 HG11 VAL A 31 3.869 -5.432 -0.852 1.00 75.34 H new ATOM 0 HG12 VAL A 31 3.427 -3.842 -1.519 1.00 75.34 H new ATOM 0 HG13 VAL A 31 3.705 -4.028 0.229 1.00 75.34 H new ATOM 0 HG21 VAL A 31 2.233 -6.748 0.452 1.00 45.11 H new ATOM 0 HG22 VAL A 31 1.978 -5.418 1.605 1.00 45.11 H new ATOM 0 HG23 VAL A 31 0.592 -6.123 0.741 1.00 45.11 H new ATOM 555 N ILE A 32 -1.137 -4.609 0.050 1.00 65.24 N ATOM 556 CA ILE A 32 -2.383 -4.939 0.722 1.00 51.12 C ATOM 557 C ILE A 32 -2.658 -6.436 0.570 1.00 43.11 C ATOM 558 O ILE A 32 -3.165 -6.876 -0.462 1.00 14.33 O ATOM 559 CB ILE A 32 -3.519 -4.050 0.211 1.00 11.34 C ATOM 560 CG1 ILE A 32 -3.223 -2.573 0.478 1.00 25.11 C ATOM 561 CG2 ILE A 32 -4.862 -4.482 0.803 1.00 63.41 C ATOM 562 CD1 ILE A 32 -3.574 -2.195 1.919 1.00 50.14 C ATOM 0 H ILE A 32 -1.029 -5.023 -0.876 1.00 65.24 H new ATOM 0 HA ILE A 32 -2.306 -4.735 1.790 1.00 51.12 H new ATOM 0 HB ILE A 32 -3.589 -4.173 -0.870 1.00 11.34 H new ATOM 0 HG12 ILE A 32 -2.168 -2.370 0.292 1.00 25.11 H new ATOM 0 HG13 ILE A 32 -3.794 -1.953 -0.214 1.00 25.11 H new ATOM 0 HG21 ILE A 32 -5.652 -3.834 0.424 1.00 63.41 H new ATOM 0 HG22 ILE A 32 -5.070 -5.513 0.518 1.00 63.41 H new ATOM 0 HG23 ILE A 32 -4.822 -4.407 1.890 1.00 63.41 H new ATOM 0 HD11 ILE A 32 -3.354 -1.140 2.082 1.00 50.14 H new ATOM 0 HD12 ILE A 32 -4.634 -2.376 2.095 1.00 50.14 H new ATOM 0 HD13 ILE A 32 -2.984 -2.799 2.608 1.00 50.14 H new ATOM 574 N CYS A 33 -2.310 -7.177 1.611 1.00 2.21 N ATOM 575 CA CYS A 33 -2.514 -8.617 1.606 1.00 35.42 C ATOM 576 C CYS A 33 -4.020 -8.889 1.642 1.00 3.32 C ATOM 577 O CYS A 33 -4.692 -8.550 2.614 1.00 43.20 O ATOM 578 CB CYS A 33 -1.783 -9.295 2.767 1.00 33.30 C ATOM 579 SG CYS A 33 -1.729 -11.103 2.501 1.00 13.01 S ATOM 0 H CYS A 33 -1.888 -6.809 2.464 1.00 2.21 H new ATOM 0 HA CYS A 33 -2.091 -9.044 0.697 1.00 35.42 H new ATOM 0 HB2 CYS A 33 -0.770 -8.901 2.850 1.00 33.30 H new ATOM 0 HB3 CYS A 33 -2.289 -9.072 3.706 1.00 33.30 H new ATOM 0 HG CYS A 33 -2.941 -11.563 2.401 1.00 13.01 H new ATOM 585 N GLU A 34 -4.503 -9.499 0.571 1.00 15.11 N ATOM 586 CA GLU A 34 -5.915 -9.821 0.465 1.00 60.01 C ATOM 587 C GLU A 34 -6.115 -11.339 0.455 1.00 42.00 C ATOM 588 O GLU A 34 -5.195 -12.087 0.129 1.00 21.50 O ATOM 589 CB GLU A 34 -6.536 -9.177 -0.776 1.00 74.13 C ATOM 590 CG GLU A 34 -8.022 -9.523 -0.891 1.00 21.12 C ATOM 591 CD GLU A 34 -8.793 -9.037 0.338 1.00 33.02 C ATOM 592 OE1 GLU A 34 -9.340 -9.856 1.091 1.00 61.31 O ATOM 593 OE2 GLU A 34 -8.812 -7.757 0.499 1.00 64.42 O ATOM 0 H GLU A 34 -3.941 -9.779 -0.232 1.00 15.11 H new ATOM 0 HA GLU A 34 -6.425 -9.413 1.337 1.00 60.01 H new ATOM 0 HB2 GLU A 34 -6.414 -8.095 -0.728 1.00 74.13 H new ATOM 0 HB3 GLU A 34 -6.010 -9.517 -1.668 1.00 74.13 H new ATOM 0 HG2 GLU A 34 -8.437 -9.067 -1.790 1.00 21.12 H new ATOM 0 HG3 GLU A 34 -8.141 -10.601 -0.997 1.00 21.12 H new ATOM 601 N LYS A 35 -7.323 -11.747 0.814 1.00 12.15 N ATOM 602 CA LYS A 35 -7.655 -13.161 0.849 1.00 74.11 C ATOM 603 C LYS A 35 -8.791 -13.440 -0.136 1.00 65.13 C ATOM 604 O LYS A 35 -9.897 -12.925 0.026 1.00 52.34 O ATOM 605 CB LYS A 35 -7.960 -13.604 2.282 1.00 54.43 C ATOM 606 CG LYS A 35 -7.503 -15.044 2.520 1.00 11.23 C ATOM 607 CD LYS A 35 -8.438 -16.039 1.829 1.00 11.40 C ATOM 608 CE LYS A 35 -9.655 -16.348 2.704 1.00 71.14 C ATOM 609 NZ LYS A 35 -10.798 -16.778 1.869 1.00 23.43 N ATOM 0 H LYS A 35 -8.084 -11.123 1.083 1.00 12.15 H new ATOM 0 HA LYS A 35 -6.802 -13.760 0.529 1.00 74.11 H new ATOM 0 HB2 LYS A 35 -7.460 -12.939 2.986 1.00 54.43 H new ATOM 0 HB3 LYS A 35 -9.030 -13.522 2.472 1.00 54.43 H new ATOM 0 HG2 LYS A 35 -6.488 -15.173 2.145 1.00 11.23 H new ATOM 0 HG3 LYS A 35 -7.476 -15.248 3.590 1.00 11.23 H new ATOM 0 HD2 LYS A 35 -8.767 -15.631 0.873 1.00 11.40 H new ATOM 0 HD3 LYS A 35 -7.898 -16.961 1.613 1.00 11.40 H new ATOM 0 HE2 LYS A 35 -9.406 -17.131 3.421 1.00 71.14 H new ATOM 0 HE3 LYS A 35 -9.930 -15.464 3.280 1.00 71.14 H new ATOM 0 HZ1 LYS A 35 -11.685 -16.627 2.390 1.00 23.43 H new ATOM 0 HZ2 LYS A 35 -10.814 -16.223 0.990 1.00 23.43 H new ATOM 0 HZ3 LYS A 35 -10.700 -17.787 1.639 1.00 23.43 H new ATOM 623 N ALA A 36 -8.480 -14.251 -1.135 1.00 44.15 N ATOM 624 CA ALA A 36 -9.462 -14.602 -2.147 1.00 42.21 C ATOM 625 C ALA A 36 -10.695 -15.202 -1.468 1.00 35.03 C ATOM 626 O ALA A 36 -10.688 -15.444 -0.262 1.00 61.54 O ATOM 627 CB ALA A 36 -8.830 -15.559 -3.160 1.00 55.13 C ATOM 0 H ALA A 36 -7.562 -14.676 -1.266 1.00 44.15 H new ATOM 0 HA ALA A 36 -9.785 -13.716 -2.693 1.00 42.21 H new ATOM 0 HB1 ALA A 36 -9.566 -15.823 -3.920 1.00 55.13 H new ATOM 0 HB2 ALA A 36 -7.976 -15.075 -3.634 1.00 55.13 H new ATOM 0 HB3 ALA A 36 -8.497 -16.462 -2.649 1.00 55.13 H new ATOM 633 N GLU A 37 -11.724 -15.424 -2.271 1.00 33.15 N ATOM 634 CA GLU A 37 -12.962 -15.991 -1.764 1.00 72.10 C ATOM 635 C GLU A 37 -12.984 -17.504 -1.987 1.00 21.01 C ATOM 636 O GLU A 37 -13.274 -18.267 -1.066 1.00 64.00 O ATOM 637 CB GLU A 37 -14.177 -15.324 -2.411 1.00 2.12 C ATOM 638 CG GLU A 37 -14.266 -15.673 -3.898 1.00 54.13 C ATOM 639 CD GLU A 37 -15.295 -14.789 -4.608 1.00 3.31 C ATOM 640 OE1 GLU A 37 -16.442 -15.213 -4.809 1.00 60.30 O ATOM 641 OE2 GLU A 37 -14.866 -13.623 -4.953 1.00 23.54 O ATOM 0 H GLU A 37 -11.726 -15.221 -3.271 1.00 33.15 H new ATOM 0 HA GLU A 37 -13.013 -15.801 -0.692 1.00 72.10 H new ATOM 0 HB2 GLU A 37 -15.086 -15.645 -1.903 1.00 2.12 H new ATOM 0 HB3 GLU A 37 -14.110 -14.243 -2.291 1.00 2.12 H new ATOM 0 HG2 GLU A 37 -13.289 -15.546 -4.364 1.00 54.13 H new ATOM 0 HG3 GLU A 37 -14.541 -16.722 -4.013 1.00 54.13 H new ATOM 649 N LYS A 38 -12.675 -17.894 -3.214 1.00 32.50 N ATOM 650 CA LYS A 38 -12.655 -19.304 -3.570 1.00 70.13 C ATOM 651 C LYS A 38 -11.801 -20.069 -2.558 1.00 34.33 C ATOM 652 O LYS A 38 -12.063 -21.237 -2.277 1.00 61.34 O ATOM 653 CB LYS A 38 -12.198 -19.483 -5.020 1.00 31.21 C ATOM 654 CG LYS A 38 -13.142 -18.763 -5.986 1.00 30.31 C ATOM 655 CD LYS A 38 -12.838 -19.143 -7.435 1.00 62.11 C ATOM 656 CE LYS A 38 -13.208 -18.006 -8.389 1.00 24.23 C ATOM 657 NZ LYS A 38 -14.676 -17.933 -8.562 1.00 2.33 N ATOM 0 H LYS A 38 -12.436 -17.259 -3.975 1.00 32.50 H new ATOM 0 HA LYS A 38 -13.660 -19.724 -3.522 1.00 70.13 H new ATOM 0 HB2 LYS A 38 -11.187 -19.094 -5.137 1.00 31.21 H new ATOM 0 HB3 LYS A 38 -12.162 -20.544 -5.265 1.00 31.21 H new ATOM 0 HG2 LYS A 38 -14.175 -19.018 -5.749 1.00 30.31 H new ATOM 0 HG3 LYS A 38 -13.043 -17.685 -5.861 1.00 30.31 H new ATOM 0 HD2 LYS A 38 -11.779 -19.379 -7.538 1.00 62.11 H new ATOM 0 HD3 LYS A 38 -13.393 -20.042 -7.703 1.00 62.11 H new ATOM 0 HE2 LYS A 38 -12.834 -17.059 -7.999 1.00 24.23 H new ATOM 0 HE3 LYS A 38 -12.729 -18.164 -9.355 1.00 24.23 H new ATOM 0 HZ1 LYS A 38 -14.911 -17.156 -9.212 1.00 2.33 H new ATOM 0 HZ2 LYS A 38 -15.024 -18.831 -8.955 1.00 2.33 H new ATOM 0 HZ3 LYS A 38 -15.126 -17.761 -7.640 1.00 2.33 H new ATOM 671 N SER A 39 -10.797 -19.379 -2.037 1.00 31.52 N ATOM 672 CA SER A 39 -9.903 -19.979 -1.061 1.00 23.13 C ATOM 673 C SER A 39 -10.706 -20.499 0.134 1.00 61.22 C ATOM 674 O SER A 39 -11.785 -19.990 0.431 1.00 52.33 O ATOM 675 CB SER A 39 -8.846 -18.977 -0.592 1.00 23.31 C ATOM 676 OG SER A 39 -8.595 -19.080 0.806 1.00 4.43 O ATOM 0 H SER A 39 -10.583 -18.410 -2.272 1.00 31.52 H new ATOM 0 HA SER A 39 -9.388 -20.813 -1.537 1.00 23.13 H new ATOM 0 HB2 SER A 39 -7.919 -19.145 -1.140 1.00 23.31 H new ATOM 0 HB3 SER A 39 -9.176 -17.965 -0.827 1.00 23.31 H new ATOM 0 HG SER A 39 -7.650 -18.889 0.984 1.00 4.43 H new ATOM 682 N ASP A 40 -10.148 -21.509 0.787 1.00 65.12 N ATOM 683 CA ASP A 40 -10.799 -22.105 1.940 1.00 2.54 C ATOM 684 C ASP A 40 -9.936 -21.873 3.183 1.00 55.42 C ATOM 685 O ASP A 40 -10.151 -22.501 4.218 1.00 54.00 O ATOM 686 CB ASP A 40 -10.969 -23.614 1.759 1.00 11.34 C ATOM 687 CG ASP A 40 -12.181 -24.219 2.472 1.00 55.40 C ATOM 688 OD1 ASP A 40 -12.639 -25.320 2.133 1.00 20.22 O ATOM 689 OD2 ASP A 40 -12.666 -23.500 3.427 1.00 14.32 O ATOM 0 H ASP A 40 -9.252 -21.929 0.539 1.00 65.12 H new ATOM 0 HA ASP A 40 -11.780 -21.643 2.049 1.00 2.54 H new ATOM 0 HB2 ASP A 40 -11.048 -23.830 0.694 1.00 11.34 H new ATOM 0 HB3 ASP A 40 -10.069 -24.112 2.119 1.00 11.34 H new ATOM 695 N ILE A 41 -8.976 -20.970 3.037 1.00 65.22 N ATOM 696 CA ILE A 41 -8.080 -20.649 4.134 1.00 75.43 C ATOM 697 C ILE A 41 -8.727 -19.581 5.019 1.00 34.44 C ATOM 698 O ILE A 41 -9.702 -18.947 4.620 1.00 24.44 O ATOM 699 CB ILE A 41 -6.701 -20.253 3.601 1.00 1.44 C ATOM 700 CG1 ILE A 41 -6.580 -18.734 3.468 1.00 4.10 C ATOM 701 CG2 ILE A 41 -6.397 -20.972 2.284 1.00 21.52 C ATOM 702 CD1 ILE A 41 -5.486 -18.358 2.467 1.00 2.30 C ATOM 0 H ILE A 41 -8.800 -20.452 2.176 1.00 65.22 H new ATOM 0 HA ILE A 41 -7.915 -21.526 4.760 1.00 75.43 H new ATOM 0 HB ILE A 41 -5.949 -20.572 4.323 1.00 1.44 H new ATOM 0 HG12 ILE A 41 -7.533 -18.316 3.144 1.00 4.10 H new ATOM 0 HG13 ILE A 41 -6.354 -18.297 4.441 1.00 4.10 H new ATOM 0 HG21 ILE A 41 -5.412 -20.674 1.926 1.00 21.52 H new ATOM 0 HG22 ILE A 41 -6.414 -22.050 2.446 1.00 21.52 H new ATOM 0 HG23 ILE A 41 -7.149 -20.705 1.542 1.00 21.52 H new ATOM 0 HD11 ILE A 41 -5.420 -17.273 2.391 1.00 2.30 H new ATOM 0 HD12 ILE A 41 -4.530 -18.757 2.806 1.00 2.30 H new ATOM 0 HD13 ILE A 41 -5.727 -18.776 1.490 1.00 2.30 H new ATOM 714 N PRO A 42 -8.141 -19.408 6.234 1.00 50.44 N ATOM 715 CA PRO A 42 -8.650 -18.428 7.178 1.00 24.42 C ATOM 716 C PRO A 42 -8.266 -17.009 6.755 1.00 24.50 C ATOM 717 O PRO A 42 -7.085 -16.701 6.598 1.00 43.12 O ATOM 718 CB PRO A 42 -8.056 -18.829 8.519 1.00 64.40 C ATOM 719 CG PRO A 42 -6.874 -19.731 8.199 1.00 30.21 C ATOM 720 CD PRO A 42 -6.982 -20.141 6.739 1.00 32.44 C ATOM 0 HA PRO A 42 -9.739 -18.416 7.227 1.00 24.42 H new ATOM 0 HB2 PRO A 42 -7.737 -17.952 9.083 1.00 64.40 H new ATOM 0 HB3 PRO A 42 -8.791 -19.351 9.131 1.00 64.40 H new ATOM 0 HG2 PRO A 42 -5.935 -19.208 8.380 1.00 30.21 H new ATOM 0 HG3 PRO A 42 -6.879 -20.610 8.844 1.00 30.21 H new ATOM 0 HD2 PRO A 42 -6.078 -19.882 6.187 1.00 32.44 H new ATOM 0 HD3 PRO A 42 -7.120 -21.218 6.639 1.00 32.44 H new ATOM 728 N GLU A 43 -9.286 -16.181 6.581 1.00 42.44 N ATOM 729 CA GLU A 43 -9.070 -14.802 6.179 1.00 50.22 C ATOM 730 C GLU A 43 -8.267 -14.058 7.246 1.00 11.31 C ATOM 731 O GLU A 43 -8.454 -14.285 8.441 1.00 21.42 O ATOM 732 CB GLU A 43 -10.401 -14.098 5.903 1.00 1.13 C ATOM 733 CG GLU A 43 -10.175 -12.643 5.490 1.00 32.10 C ATOM 734 CD GLU A 43 -11.430 -12.055 4.842 1.00 74.43 C ATOM 735 OE1 GLU A 43 -12.272 -11.469 5.539 1.00 70.25 O ATOM 736 OE2 GLU A 43 -11.516 -12.223 3.566 1.00 12.44 O ATOM 0 H GLU A 43 -10.264 -16.439 6.711 1.00 42.44 H new ATOM 0 HA GLU A 43 -8.495 -14.799 5.253 1.00 50.22 H new ATOM 0 HB2 GLU A 43 -10.938 -14.625 5.114 1.00 1.13 H new ATOM 0 HB3 GLU A 43 -11.027 -14.134 6.794 1.00 1.13 H new ATOM 0 HG2 GLU A 43 -9.902 -12.052 6.364 1.00 32.10 H new ATOM 0 HG3 GLU A 43 -9.340 -12.585 4.792 1.00 32.10 H new ATOM 744 N ILE A 44 -7.389 -13.183 6.777 1.00 60.22 N ATOM 745 CA ILE A 44 -6.556 -12.402 7.677 1.00 23.32 C ATOM 746 C ILE A 44 -7.431 -11.404 8.437 1.00 4.52 C ATOM 747 O ILE A 44 -8.604 -11.230 8.116 1.00 3.42 O ATOM 748 CB ILE A 44 -5.403 -11.751 6.909 1.00 42.45 C ATOM 749 CG1 ILE A 44 -4.416 -11.081 7.868 1.00 43.41 C ATOM 750 CG2 ILE A 44 -5.930 -10.775 5.855 1.00 73.53 C ATOM 751 CD1 ILE A 44 -3.070 -10.834 7.183 1.00 33.21 C ATOM 0 H ILE A 44 -7.236 -12.998 5.786 1.00 60.22 H new ATOM 0 HA ILE A 44 -6.089 -13.047 8.421 1.00 23.32 H new ATOM 0 HB ILE A 44 -4.858 -12.533 6.380 1.00 42.45 H new ATOM 0 HG12 ILE A 44 -4.829 -10.135 8.219 1.00 43.41 H new ATOM 0 HG13 ILE A 44 -4.272 -11.711 8.746 1.00 43.41 H new ATOM 0 HG21 ILE A 44 -5.091 -10.326 5.323 1.00 73.53 H new ATOM 0 HG22 ILE A 44 -6.563 -11.310 5.148 1.00 73.53 H new ATOM 0 HG23 ILE A 44 -6.512 -9.992 6.342 1.00 73.53 H new ATOM 0 HD11 ILE A 44 -2.386 -10.357 7.885 1.00 33.21 H new ATOM 0 HD12 ILE A 44 -2.649 -11.784 6.855 1.00 33.21 H new ATOM 0 HD13 ILE A 44 -3.215 -10.184 6.320 1.00 33.21 H new ATOM 763 N ASP A 45 -6.823 -10.775 9.434 1.00 33.03 N ATOM 764 CA ASP A 45 -7.533 -9.798 10.243 1.00 71.14 C ATOM 765 C ASP A 45 -7.789 -8.540 9.412 1.00 0.43 C ATOM 766 O ASP A 45 -8.897 -8.008 9.408 1.00 74.13 O ATOM 767 CB ASP A 45 -6.709 -9.396 11.468 1.00 41.02 C ATOM 768 CG ASP A 45 -6.906 -10.282 12.700 1.00 61.43 C ATOM 769 OD1 ASP A 45 -7.652 -9.931 13.625 1.00 63.25 O ATOM 770 OD2 ASP A 45 -6.245 -11.390 12.686 1.00 2.34 O ATOM 0 H ASP A 45 -5.849 -10.923 9.699 1.00 33.03 H new ATOM 0 HA ASP A 45 -8.470 -10.249 10.569 1.00 71.14 H new ATOM 0 HB2 ASP A 45 -5.653 -9.407 11.196 1.00 41.02 H new ATOM 0 HB3 ASP A 45 -6.959 -8.369 11.734 1.00 41.02 H new ATOM 776 N LYS A 46 -6.743 -8.102 8.725 1.00 54.04 N ATOM 777 CA LYS A 46 -6.841 -6.916 7.890 1.00 51.14 C ATOM 778 C LYS A 46 -5.849 -7.032 6.731 1.00 4.32 C ATOM 779 O LYS A 46 -4.893 -7.802 6.802 1.00 25.51 O ATOM 780 CB LYS A 46 -6.658 -5.652 8.732 1.00 35.22 C ATOM 781 CG LYS A 46 -5.719 -5.910 9.912 1.00 72.31 C ATOM 782 CD LYS A 46 -4.273 -6.069 9.437 1.00 10.44 C ATOM 783 CE LYS A 46 -3.382 -6.606 10.560 1.00 5.34 C ATOM 784 NZ LYS A 46 -3.042 -5.524 11.511 1.00 3.44 N ATOM 0 H LYS A 46 -5.825 -8.546 8.730 1.00 54.04 H new ATOM 0 HA LYS A 46 -7.836 -6.838 7.452 1.00 51.14 H new ATOM 0 HB2 LYS A 46 -6.256 -4.852 8.111 1.00 35.22 H new ATOM 0 HB3 LYS A 46 -7.626 -5.313 9.101 1.00 35.22 H new ATOM 0 HG2 LYS A 46 -5.784 -5.084 10.621 1.00 72.31 H new ATOM 0 HG3 LYS A 46 -6.033 -6.810 10.441 1.00 72.31 H new ATOM 0 HD2 LYS A 46 -4.239 -6.748 8.585 1.00 10.44 H new ATOM 0 HD3 LYS A 46 -3.892 -5.107 9.094 1.00 10.44 H new ATOM 0 HE2 LYS A 46 -3.894 -7.413 11.085 1.00 5.34 H new ATOM 0 HE3 LYS A 46 -2.470 -7.028 10.139 1.00 5.34 H new ATOM 0 HZ1 LYS A 46 -2.039 -5.597 11.776 1.00 3.44 H new ATOM 0 HZ2 LYS A 46 -3.216 -4.601 11.064 1.00 3.44 H new ATOM 0 HZ3 LYS A 46 -3.632 -5.612 12.363 1.00 3.44 H new ATOM 798 N ARG A 47 -6.110 -6.253 5.691 1.00 22.33 N ATOM 799 CA ARG A 47 -5.252 -6.258 4.519 1.00 73.31 C ATOM 800 C ARG A 47 -4.361 -5.014 4.507 1.00 10.15 C ATOM 801 O ARG A 47 -4.765 -3.961 4.016 1.00 4.24 O ATOM 802 CB ARG A 47 -6.078 -6.296 3.232 1.00 1.04 C ATOM 803 CG ARG A 47 -7.034 -5.102 3.158 1.00 52.44 C ATOM 804 CD ARG A 47 -8.473 -5.565 2.933 1.00 32.42 C ATOM 805 NE ARG A 47 -8.953 -6.321 4.112 1.00 24.35 N ATOM 806 CZ ARG A 47 -8.975 -7.668 4.188 1.00 51.53 C ATOM 807 NH1 ARG A 47 -8.545 -8.421 3.152 1.00 63.21 N ATOM 808 NH2 ARG A 47 -9.422 -8.240 5.290 1.00 1.01 N ATOM 0 H ARG A 47 -6.903 -5.614 5.636 1.00 22.33 H new ATOM 0 HA ARG A 47 -4.632 -7.153 4.567 1.00 73.31 H new ATOM 0 HB2 ARG A 47 -5.413 -6.288 2.368 1.00 1.04 H new ATOM 0 HB3 ARG A 47 -6.647 -7.225 3.188 1.00 1.04 H new ATOM 0 HG2 ARG A 47 -6.974 -4.526 4.081 1.00 52.44 H new ATOM 0 HG3 ARG A 47 -6.731 -4.439 2.348 1.00 52.44 H new ATOM 0 HD2 ARG A 47 -9.117 -4.704 2.756 1.00 32.42 H new ATOM 0 HD3 ARG A 47 -8.527 -6.191 2.043 1.00 32.42 H new ATOM 0 HE ARG A 47 -9.288 -5.791 4.917 1.00 24.35 H new ATOM 0 HH11 ARG A 47 -8.200 -7.972 2.304 1.00 63.21 H new ATOM 0 HH12 ARG A 47 -8.565 -9.439 3.218 1.00 63.21 H new ATOM 0 HH21 ARG A 47 -9.744 -7.665 6.068 1.00 1.01 H new ATOM 0 HH22 ARG A 47 -9.445 -9.257 5.363 1.00 1.01 H new ATOM 822 N LYS A 48 -3.165 -5.178 5.055 1.00 32.22 N ATOM 823 CA LYS A 48 -2.214 -4.081 5.113 1.00 13.13 C ATOM 824 C LYS A 48 -0.835 -4.629 5.490 1.00 65.41 C ATOM 825 O LYS A 48 -0.633 -5.093 6.612 1.00 32.21 O ATOM 826 CB LYS A 48 -2.718 -2.985 6.054 1.00 2.52 C ATOM 827 CG LYS A 48 -2.315 -1.599 5.545 1.00 31.03 C ATOM 828 CD LYS A 48 -0.803 -1.513 5.329 1.00 5.15 C ATOM 829 CE LYS A 48 -0.055 -1.543 6.663 1.00 62.34 C ATOM 830 NZ LYS A 48 0.655 -2.831 6.830 1.00 61.43 N ATOM 0 H LYS A 48 -2.834 -6.053 5.462 1.00 32.22 H new ATOM 0 HA LYS A 48 -2.115 -3.609 4.135 1.00 13.13 H new ATOM 0 HB2 LYS A 48 -3.803 -3.044 6.139 1.00 2.52 H new ATOM 0 HB3 LYS A 48 -2.311 -3.142 7.053 1.00 2.52 H new ATOM 0 HG2 LYS A 48 -2.832 -1.387 4.609 1.00 31.03 H new ATOM 0 HG3 LYS A 48 -2.627 -0.839 6.262 1.00 31.03 H new ATOM 0 HD2 LYS A 48 -0.474 -2.344 4.705 1.00 5.15 H new ATOM 0 HD3 LYS A 48 -0.560 -0.596 4.793 1.00 5.15 H new ATOM 0 HE2 LYS A 48 0.658 -0.720 6.705 1.00 62.34 H new ATOM 0 HE3 LYS A 48 -0.757 -1.399 7.484 1.00 62.34 H new ATOM 0 HZ1 LYS A 48 1.419 -2.718 7.527 1.00 61.43 H new ATOM 0 HZ2 LYS A 48 -0.013 -3.555 7.163 1.00 61.43 H new ATOM 0 HZ3 LYS A 48 1.059 -3.126 5.918 1.00 61.43 H new ATOM 844 N TYR A 49 0.077 -4.556 4.533 1.00 55.14 N ATOM 845 CA TYR A 49 1.431 -5.038 4.750 1.00 61.12 C ATOM 846 C TYR A 49 2.459 -4.061 4.177 1.00 45.23 C ATOM 847 O TYR A 49 2.462 -3.792 2.976 1.00 72.34 O ATOM 848 CB TYR A 49 1.531 -6.367 3.997 1.00 0.44 C ATOM 849 CG TYR A 49 0.985 -7.565 4.774 1.00 32.21 C ATOM 850 CD1 TYR A 49 -0.378 -7.766 4.866 1.00 44.50 C ATOM 851 CD2 TYR A 49 1.855 -8.446 5.384 1.00 4.35 C ATOM 852 CE1 TYR A 49 -0.892 -8.895 5.598 1.00 10.22 C ATOM 853 CE2 TYR A 49 1.341 -9.574 6.117 1.00 40.03 C ATOM 854 CZ TYR A 49 -0.007 -9.743 6.187 1.00 11.31 C ATOM 855 OH TYR A 49 -0.492 -10.809 6.879 1.00 30.03 O ATOM 0 H TYR A 49 -0.094 -4.170 3.604 1.00 55.14 H new ATOM 0 HA TYR A 49 1.635 -5.145 5.815 1.00 61.12 H new ATOM 0 HB2 TYR A 49 0.989 -6.281 3.055 1.00 0.44 H new ATOM 0 HB3 TYR A 49 2.576 -6.554 3.748 1.00 0.44 H new ATOM 0 HD1 TYR A 49 -1.059 -7.077 4.389 1.00 44.50 H new ATOM 0 HD2 TYR A 49 2.921 -8.289 5.312 1.00 4.35 H new ATOM 0 HE1 TYR A 49 -1.956 -9.064 5.677 1.00 10.22 H new ATOM 0 HE2 TYR A 49 2.011 -10.270 6.600 1.00 40.03 H new ATOM 0 HH TYR A 49 0.231 -11.451 7.039 1.00 30.03 H new ATOM 865 N LEU A 50 3.307 -3.558 5.061 1.00 74.33 N ATOM 866 CA LEU A 50 4.338 -2.617 4.658 1.00 43.30 C ATOM 867 C LEU A 50 5.663 -3.363 4.482 1.00 30.44 C ATOM 868 O LEU A 50 6.541 -3.286 5.340 1.00 14.21 O ATOM 869 CB LEU A 50 4.416 -1.451 5.645 1.00 73.54 C ATOM 870 CG LEU A 50 4.689 -0.075 5.037 1.00 22.24 C ATOM 871 CD1 LEU A 50 5.372 -0.203 3.674 1.00 24.21 C ATOM 872 CD2 LEU A 50 3.406 0.756 4.960 1.00 4.24 C ATOM 0 H LEU A 50 3.301 -3.784 6.056 1.00 74.33 H new ATOM 0 HA LEU A 50 4.091 -2.172 3.694 1.00 43.30 H new ATOM 0 HB2 LEU A 50 3.476 -1.403 6.195 1.00 73.54 H new ATOM 0 HB3 LEU A 50 5.200 -1.667 6.371 1.00 73.54 H new ATOM 0 HG LEU A 50 5.378 0.457 5.693 1.00 22.24 H new ATOM 0 HD11 LEU A 50 5.555 0.790 3.264 1.00 24.21 H new ATOM 0 HD12 LEU A 50 6.320 -0.728 3.790 1.00 24.21 H new ATOM 0 HD13 LEU A 50 4.728 -0.763 2.996 1.00 24.21 H new ATOM 0 HD21 LEU A 50 3.629 1.730 4.524 1.00 4.24 H new ATOM 0 HD22 LEU A 50 2.674 0.239 4.339 1.00 4.24 H new ATOM 0 HD23 LEU A 50 3.000 0.892 5.962 1.00 4.24 H new ATOM 884 N VAL A 51 5.765 -4.069 3.365 1.00 34.04 N ATOM 885 CA VAL A 51 6.966 -4.828 3.067 1.00 63.40 C ATOM 886 C VAL A 51 8.033 -3.884 2.504 1.00 40.31 C ATOM 887 O VAL A 51 7.710 -2.910 1.826 1.00 53.13 O ATOM 888 CB VAL A 51 6.634 -5.984 2.123 1.00 5.34 C ATOM 889 CG1 VAL A 51 5.835 -7.070 2.847 1.00 22.24 C ATOM 890 CG2 VAL A 51 5.884 -5.485 0.886 1.00 42.33 C ATOM 0 H VAL A 51 5.035 -4.131 2.656 1.00 34.04 H new ATOM 0 HA VAL A 51 7.371 -5.274 3.975 1.00 63.40 H new ATOM 0 HB VAL A 51 7.574 -6.424 1.790 1.00 5.34 H new ATOM 0 HG11 VAL A 51 5.612 -7.881 2.153 1.00 22.24 H new ATOM 0 HG12 VAL A 51 6.420 -7.457 3.681 1.00 22.24 H new ATOM 0 HG13 VAL A 51 4.903 -6.647 3.223 1.00 22.24 H new ATOM 0 HG21 VAL A 51 5.660 -6.328 0.232 1.00 42.33 H new ATOM 0 HG22 VAL A 51 4.954 -5.007 1.193 1.00 42.33 H new ATOM 0 HG23 VAL A 51 6.503 -4.765 0.351 1.00 42.33 H new ATOM 900 N PRO A 52 9.315 -4.218 2.812 1.00 31.35 N ATOM 901 CA PRO A 52 10.430 -3.412 2.345 1.00 52.22 C ATOM 902 C PRO A 52 10.691 -3.649 0.856 1.00 45.42 C ATOM 903 O PRO A 52 9.979 -4.416 0.210 1.00 24.12 O ATOM 904 CB PRO A 52 11.602 -3.816 3.224 1.00 72.44 C ATOM 905 CG PRO A 52 11.224 -5.155 3.836 1.00 72.05 C ATOM 906 CD PRO A 52 9.735 -5.365 3.611 1.00 62.34 C ATOM 0 HA PRO A 52 10.239 -2.342 2.425 1.00 52.22 H new ATOM 0 HB2 PRO A 52 12.518 -3.899 2.639 1.00 72.44 H new ATOM 0 HB3 PRO A 52 11.784 -3.071 3.998 1.00 72.44 H new ATOM 0 HG2 PRO A 52 11.797 -5.960 3.377 1.00 72.05 H new ATOM 0 HG3 PRO A 52 11.455 -5.167 4.901 1.00 72.05 H new ATOM 0 HD2 PRO A 52 9.542 -6.303 3.090 1.00 62.34 H new ATOM 0 HD3 PRO A 52 9.194 -5.408 4.556 1.00 62.34 H new ATOM 914 N ALA A 53 11.714 -2.973 0.354 1.00 53.20 N ATOM 915 CA ALA A 53 12.078 -3.100 -1.048 1.00 13.10 C ATOM 916 C ALA A 53 13.147 -4.185 -1.196 1.00 64.41 C ATOM 917 O ALA A 53 13.843 -4.242 -2.210 1.00 65.24 O ATOM 918 CB ALA A 53 12.546 -1.744 -1.578 1.00 72.45 C ATOM 0 H ALA A 53 12.302 -2.336 0.892 1.00 53.20 H new ATOM 0 HA ALA A 53 11.216 -3.403 -1.643 1.00 13.10 H new ATOM 0 HB1 ALA A 53 12.819 -1.839 -2.629 1.00 72.45 H new ATOM 0 HB2 ALA A 53 11.741 -1.016 -1.476 1.00 72.45 H new ATOM 0 HB3 ALA A 53 13.412 -1.409 -1.007 1.00 72.45 H new ATOM 924 N ASP A 54 13.244 -5.021 -0.172 1.00 11.31 N ATOM 925 CA ASP A 54 14.216 -6.101 -0.177 1.00 24.43 C ATOM 926 C ASP A 54 13.484 -7.440 -0.076 1.00 24.43 C ATOM 927 O ASP A 54 13.877 -8.416 -0.712 1.00 72.41 O ATOM 928 CB ASP A 54 15.167 -5.990 1.017 1.00 32.13 C ATOM 929 CG ASP A 54 15.829 -4.622 1.191 1.00 4.14 C ATOM 930 OD1 ASP A 54 15.985 -4.127 2.318 1.00 20.21 O ATOM 931 OD2 ASP A 54 16.197 -4.051 0.095 1.00 61.44 O ATOM 0 H ASP A 54 12.665 -4.972 0.667 1.00 11.31 H new ATOM 0 HA ASP A 54 14.789 -6.036 -1.102 1.00 24.43 H new ATOM 0 HB2 ASP A 54 14.614 -6.228 1.926 1.00 32.13 H new ATOM 0 HB3 ASP A 54 15.947 -6.744 0.912 1.00 32.13 H new ATOM 937 N LEU A 55 12.432 -7.444 0.730 1.00 53.33 N ATOM 938 CA LEU A 55 11.641 -8.647 0.923 1.00 33.10 C ATOM 939 C LEU A 55 11.139 -9.146 -0.434 1.00 55.22 C ATOM 940 O LEU A 55 10.602 -8.372 -1.225 1.00 73.35 O ATOM 941 CB LEU A 55 10.523 -8.397 1.937 1.00 22.25 C ATOM 942 CG LEU A 55 9.991 -9.631 2.667 1.00 42.04 C ATOM 943 CD1 LEU A 55 10.429 -9.631 4.134 1.00 33.21 C ATOM 944 CD2 LEU A 55 8.472 -9.742 2.523 1.00 41.11 C ATOM 0 H LEU A 55 12.109 -6.633 1.257 1.00 53.33 H new ATOM 0 HA LEU A 55 12.255 -9.441 1.349 1.00 33.10 H new ATOM 0 HB2 LEU A 55 10.886 -7.688 2.681 1.00 22.25 H new ATOM 0 HB3 LEU A 55 9.691 -7.919 1.420 1.00 22.25 H new ATOM 0 HG LEU A 55 10.424 -10.516 2.201 1.00 42.04 H new ATOM 0 HD11 LEU A 55 10.038 -10.519 4.631 1.00 33.21 H new ATOM 0 HD12 LEU A 55 11.518 -9.635 4.189 1.00 33.21 H new ATOM 0 HD13 LEU A 55 10.044 -8.739 4.629 1.00 33.21 H new ATOM 0 HD21 LEU A 55 8.120 -10.628 3.051 1.00 41.11 H new ATOM 0 HD22 LEU A 55 8.001 -8.855 2.947 1.00 41.11 H new ATOM 0 HD23 LEU A 55 8.211 -9.822 1.468 1.00 41.11 H new ATOM 956 N THR A 56 11.335 -10.437 -0.663 1.00 33.54 N ATOM 957 CA THR A 56 10.910 -11.049 -1.910 1.00 20.24 C ATOM 958 C THR A 56 9.499 -11.623 -1.770 1.00 22.22 C ATOM 959 O THR A 56 8.924 -11.605 -0.683 1.00 33.44 O ATOM 960 CB THR A 56 11.955 -12.095 -2.304 1.00 3.12 C ATOM 961 OG1 THR A 56 11.631 -13.227 -1.503 1.00 4.55 O ATOM 962 CG2 THR A 56 13.367 -11.712 -1.854 1.00 24.15 C ATOM 0 H THR A 56 11.783 -11.076 -0.005 1.00 33.54 H new ATOM 0 HA THR A 56 10.849 -10.312 -2.711 1.00 20.24 H new ATOM 0 HB THR A 56 11.943 -12.230 -3.386 1.00 3.12 H new ATOM 0 HG1 THR A 56 12.259 -13.955 -1.696 1.00 4.55 H new ATOM 0 HG21 THR A 56 14.069 -12.488 -2.159 1.00 24.15 H new ATOM 0 HG22 THR A 56 13.651 -10.765 -2.313 1.00 24.15 H new ATOM 0 HG23 THR A 56 13.388 -11.610 -0.769 1.00 24.15 H new ATOM 970 N VAL A 57 8.982 -12.116 -2.885 1.00 60.44 N ATOM 971 CA VAL A 57 7.649 -12.695 -2.899 1.00 24.01 C ATOM 972 C VAL A 57 7.639 -13.965 -2.047 1.00 24.23 C ATOM 973 O VAL A 57 6.650 -14.259 -1.378 1.00 23.23 O ATOM 974 CB VAL A 57 7.202 -12.939 -4.343 1.00 35.30 C ATOM 975 CG1 VAL A 57 6.139 -14.039 -4.407 1.00 34.23 C ATOM 976 CG2 VAL A 57 6.692 -11.647 -4.986 1.00 3.30 C ATOM 0 H VAL A 57 9.461 -12.127 -3.785 1.00 60.44 H new ATOM 0 HA VAL A 57 6.928 -12.006 -2.460 1.00 24.01 H new ATOM 0 HB VAL A 57 8.070 -13.275 -4.911 1.00 35.30 H new ATOM 0 HG11 VAL A 57 5.838 -14.194 -5.443 1.00 34.23 H new ATOM 0 HG12 VAL A 57 6.550 -14.966 -4.006 1.00 34.23 H new ATOM 0 HG13 VAL A 57 5.272 -13.742 -3.817 1.00 34.23 H new ATOM 0 HG21 VAL A 57 6.381 -11.849 -6.011 1.00 3.30 H new ATOM 0 HG22 VAL A 57 5.843 -11.268 -4.417 1.00 3.30 H new ATOM 0 HG23 VAL A 57 7.488 -10.903 -4.988 1.00 3.30 H new ATOM 986 N GLY A 58 8.751 -14.682 -2.099 1.00 11.12 N ATOM 987 CA GLY A 58 8.884 -15.914 -1.339 1.00 42.23 C ATOM 988 C GLY A 58 9.169 -15.620 0.136 1.00 73.23 C ATOM 989 O GLY A 58 9.198 -16.534 0.960 1.00 60.02 O ATOM 0 H GLY A 58 9.569 -14.434 -2.656 1.00 11.12 H new ATOM 0 HA2 GLY A 58 7.969 -16.500 -1.427 1.00 42.23 H new ATOM 0 HA3 GLY A 58 9.690 -16.517 -1.756 1.00 42.23 H new ATOM 993 N GLN A 59 9.373 -14.344 0.423 1.00 64.11 N ATOM 994 CA GLN A 59 9.655 -13.919 1.783 1.00 61.51 C ATOM 995 C GLN A 59 8.389 -13.367 2.441 1.00 64.21 C ATOM 996 O GLN A 59 8.286 -13.331 3.666 1.00 44.31 O ATOM 997 CB GLN A 59 10.784 -12.885 1.811 1.00 30.41 C ATOM 998 CG GLN A 59 12.140 -13.547 1.562 1.00 65.32 C ATOM 999 CD GLN A 59 13.286 -12.591 1.899 1.00 74.31 C ATOM 1000 OE1 GLN A 59 13.604 -11.675 1.158 1.00 74.53 O ATOM 1001 NE2 GLN A 59 13.889 -12.855 3.056 1.00 1.14 N ATOM 0 H GLN A 59 9.349 -13.590 -0.263 1.00 64.11 H new ATOM 0 HA GLN A 59 9.987 -14.787 2.353 1.00 61.51 H new ATOM 0 HB2 GLN A 59 10.603 -12.123 1.053 1.00 30.41 H new ATOM 0 HB3 GLN A 59 10.794 -12.379 2.776 1.00 30.41 H new ATOM 0 HG2 GLN A 59 12.225 -14.450 2.167 1.00 65.32 H new ATOM 0 HG3 GLN A 59 12.213 -13.854 0.519 1.00 65.32 H new ATOM 0 HE21 GLN A 59 13.573 -13.638 3.629 1.00 1.14 H new ATOM 0 HE22 GLN A 59 14.667 -12.275 3.370 1.00 1.14 H new ATOM 1010 N PHE A 60 7.457 -12.948 1.597 1.00 0.21 N ATOM 1011 CA PHE A 60 6.202 -12.400 2.081 1.00 52.15 C ATOM 1012 C PHE A 60 5.251 -13.514 2.526 1.00 43.15 C ATOM 1013 O PHE A 60 4.765 -13.507 3.656 1.00 50.40 O ATOM 1014 CB PHE A 60 5.567 -11.640 0.916 1.00 50.40 C ATOM 1015 CG PHE A 60 4.311 -10.853 1.295 1.00 73.03 C ATOM 1016 CD1 PHE A 60 4.380 -9.879 2.243 1.00 51.21 C ATOM 1017 CD2 PHE A 60 3.127 -11.129 0.687 1.00 61.34 C ATOM 1018 CE1 PHE A 60 3.213 -9.150 2.595 1.00 1.22 C ATOM 1019 CE2 PHE A 60 1.960 -10.399 1.041 1.00 62.21 C ATOM 1020 CZ PHE A 60 2.028 -9.424 1.986 1.00 23.01 C ATOM 0 H PHE A 60 7.546 -12.977 0.581 1.00 0.21 H new ATOM 0 HA PHE A 60 6.386 -11.752 2.938 1.00 52.15 H new ATOM 0 HB2 PHE A 60 6.303 -10.951 0.501 1.00 50.40 H new ATOM 0 HB3 PHE A 60 5.314 -12.349 0.128 1.00 50.40 H new ATOM 0 HD1 PHE A 60 5.321 -9.661 2.727 1.00 51.21 H new ATOM 0 HD2 PHE A 60 3.073 -11.903 -0.065 1.00 61.34 H new ATOM 0 HE1 PHE A 60 3.267 -8.377 3.347 1.00 1.22 H new ATOM 0 HE2 PHE A 60 1.019 -10.619 0.559 1.00 62.21 H new ATOM 0 HZ PHE A 60 1.142 -8.867 2.253 1.00 23.01 H new ATOM 1030 N VAL A 61 5.016 -14.445 1.614 1.00 32.35 N ATOM 1031 CA VAL A 61 4.132 -15.564 1.898 1.00 5.44 C ATOM 1032 C VAL A 61 4.377 -16.051 3.327 1.00 71.34 C ATOM 1033 O VAL A 61 3.448 -16.484 4.008 1.00 5.54 O ATOM 1034 CB VAL A 61 4.324 -16.661 0.850 1.00 43.14 C ATOM 1035 CG1 VAL A 61 3.406 -17.853 1.128 1.00 42.22 C ATOM 1036 CG2 VAL A 61 4.102 -16.116 -0.562 1.00 73.01 C ATOM 0 H VAL A 61 5.422 -14.448 0.678 1.00 32.35 H new ATOM 0 HA VAL A 61 3.089 -15.253 1.835 1.00 5.44 H new ATOM 0 HB VAL A 61 5.355 -17.010 0.916 1.00 43.14 H new ATOM 0 HG11 VAL A 61 3.563 -18.618 0.368 1.00 42.22 H new ATOM 0 HG12 VAL A 61 3.633 -18.266 2.111 1.00 42.22 H new ATOM 0 HG13 VAL A 61 2.367 -17.525 1.104 1.00 42.22 H new ATOM 0 HG21 VAL A 61 4.245 -16.917 -1.288 1.00 73.01 H new ATOM 0 HG22 VAL A 61 3.087 -15.726 -0.646 1.00 73.01 H new ATOM 0 HG23 VAL A 61 4.815 -15.316 -0.760 1.00 73.01 H new ATOM 1046 N TYR A 62 5.634 -15.967 3.740 1.00 14.20 N ATOM 1047 CA TYR A 62 6.012 -16.394 5.075 1.00 74.54 C ATOM 1048 C TYR A 62 5.226 -15.627 6.141 1.00 34.14 C ATOM 1049 O TYR A 62 4.539 -16.231 6.965 1.00 35.32 O ATOM 1050 CB TYR A 62 7.498 -16.061 5.219 1.00 44.14 C ATOM 1051 CG TYR A 62 7.917 -15.682 6.641 1.00 45.10 C ATOM 1052 CD1 TYR A 62 7.638 -16.531 7.691 1.00 62.34 C ATOM 1053 CD2 TYR A 62 8.573 -14.491 6.873 1.00 22.21 C ATOM 1054 CE1 TYR A 62 8.032 -16.176 9.030 1.00 24.35 C ATOM 1055 CE2 TYR A 62 8.968 -14.134 8.211 1.00 24.10 C ATOM 1056 CZ TYR A 62 8.678 -14.994 9.224 1.00 2.21 C ATOM 1057 OH TYR A 62 9.049 -14.657 10.489 1.00 63.13 O ATOM 0 H TYR A 62 6.403 -15.609 3.173 1.00 14.20 H new ATOM 0 HA TYR A 62 5.805 -17.456 5.210 1.00 74.54 H new ATOM 0 HB2 TYR A 62 8.085 -16.920 4.895 1.00 44.14 H new ATOM 0 HB3 TYR A 62 7.742 -15.237 4.548 1.00 44.14 H new ATOM 0 HD1 TYR A 62 7.124 -17.463 7.509 1.00 62.34 H new ATOM 0 HD2 TYR A 62 8.791 -13.826 6.051 1.00 22.21 H new ATOM 0 HE1 TYR A 62 7.820 -16.833 9.861 1.00 24.35 H new ATOM 0 HE2 TYR A 62 9.483 -13.205 8.406 1.00 24.10 H new ATOM 0 HH TYR A 62 9.501 -13.788 10.477 1.00 63.13 H new ATOM 1067 N VAL A 63 5.349 -14.309 6.089 1.00 52.24 N ATOM 1068 CA VAL A 63 4.658 -13.455 7.039 1.00 35.03 C ATOM 1069 C VAL A 63 3.156 -13.739 6.976 1.00 4.02 C ATOM 1070 O VAL A 63 2.487 -13.791 8.007 1.00 23.34 O ATOM 1071 CB VAL A 63 5.000 -11.988 6.769 1.00 11.21 C ATOM 1072 CG1 VAL A 63 4.139 -11.057 7.624 1.00 65.32 C ATOM 1073 CG2 VAL A 63 6.489 -11.722 6.998 1.00 44.31 C ATOM 0 H VAL A 63 5.917 -13.812 5.403 1.00 52.24 H new ATOM 0 HA VAL A 63 4.987 -13.671 8.055 1.00 35.03 H new ATOM 0 HB VAL A 63 4.779 -11.780 5.722 1.00 11.21 H new ATOM 0 HG11 VAL A 63 4.403 -10.021 7.412 1.00 65.32 H new ATOM 0 HG12 VAL A 63 3.087 -11.218 7.391 1.00 65.32 H new ATOM 0 HG13 VAL A 63 4.313 -11.267 8.679 1.00 65.32 H new ATOM 0 HG21 VAL A 63 6.706 -10.672 6.799 1.00 44.31 H new ATOM 0 HG22 VAL A 63 6.746 -11.956 8.031 1.00 44.31 H new ATOM 0 HG23 VAL A 63 7.078 -12.347 6.327 1.00 44.31 H new ATOM 1083 N ILE A 64 2.671 -13.917 5.755 1.00 25.51 N ATOM 1084 CA ILE A 64 1.260 -14.195 5.544 1.00 30.30 C ATOM 1085 C ILE A 64 0.873 -15.459 6.313 1.00 3.31 C ATOM 1086 O ILE A 64 -0.100 -15.459 7.066 1.00 53.34 O ATOM 1087 CB ILE A 64 0.945 -14.264 4.049 1.00 74.05 C ATOM 1088 CG1 ILE A 64 1.471 -13.025 3.320 1.00 52.44 C ATOM 1089 CG2 ILE A 64 -0.551 -14.475 3.813 1.00 22.42 C ATOM 1090 CD1 ILE A 64 0.985 -11.743 3.997 1.00 35.01 C ATOM 0 H ILE A 64 3.230 -13.874 4.903 1.00 25.51 H new ATOM 0 HA ILE A 64 0.649 -13.383 5.937 1.00 30.30 H new ATOM 0 HB ILE A 64 1.462 -15.128 3.631 1.00 74.05 H new ATOM 0 HG12 ILE A 64 2.561 -13.042 3.306 1.00 52.44 H new ATOM 0 HG13 ILE A 64 1.138 -13.041 2.282 1.00 52.44 H new ATOM 0 HG21 ILE A 64 -0.748 -14.520 2.742 1.00 22.42 H new ATOM 0 HG22 ILE A 64 -0.865 -15.409 4.279 1.00 22.42 H new ATOM 0 HG23 ILE A 64 -1.109 -13.646 4.249 1.00 22.42 H new ATOM 0 HD11 ILE A 64 1.373 -10.878 3.459 1.00 35.01 H new ATOM 0 HD12 ILE A 64 -0.105 -11.717 3.988 1.00 35.01 H new ATOM 0 HD13 ILE A 64 1.340 -11.719 5.027 1.00 35.01 H new ATOM 1102 N ARG A 65 1.657 -16.507 6.099 1.00 63.25 N ATOM 1103 CA ARG A 65 1.409 -17.776 6.762 1.00 61.31 C ATOM 1104 C ARG A 65 1.459 -17.598 8.281 1.00 12.01 C ATOM 1105 O ARG A 65 0.763 -18.300 9.014 1.00 41.52 O ATOM 1106 CB ARG A 65 2.439 -18.826 6.344 1.00 31.34 C ATOM 1107 CG ARG A 65 1.944 -20.237 6.669 1.00 61.42 C ATOM 1108 CD ARG A 65 1.200 -20.845 5.479 1.00 12.15 C ATOM 1109 NE ARG A 65 1.998 -20.682 4.245 1.00 42.22 N ATOM 1110 CZ ARG A 65 2.910 -21.576 3.810 1.00 13.14 C ATOM 1111 NH1 ARG A 65 3.150 -22.706 4.507 1.00 33.44 N ATOM 1112 NH2 ARG A 65 3.568 -21.327 2.691 1.00 34.13 N ATOM 0 H ARG A 65 2.464 -16.502 5.476 1.00 63.25 H new ATOM 0 HA ARG A 65 0.418 -18.118 6.465 1.00 61.31 H new ATOM 0 HB2 ARG A 65 2.636 -18.743 5.275 1.00 31.34 H new ATOM 0 HB3 ARG A 65 3.382 -18.640 6.857 1.00 31.34 H new ATOM 0 HG2 ARG A 65 2.790 -20.871 6.936 1.00 61.42 H new ATOM 0 HG3 ARG A 65 1.285 -20.204 7.536 1.00 61.42 H new ATOM 0 HD2 ARG A 65 1.009 -21.903 5.661 1.00 12.15 H new ATOM 0 HD3 ARG A 65 0.230 -20.362 5.361 1.00 12.15 H new ATOM 0 HE ARG A 65 1.850 -19.841 3.688 1.00 42.22 H new ATOM 0 HH11 ARG A 65 2.640 -22.890 5.371 1.00 33.44 H new ATOM 0 HH12 ARG A 65 3.841 -23.376 4.170 1.00 33.44 H new ATOM 0 HH21 ARG A 65 3.383 -20.470 2.171 1.00 34.13 H new ATOM 0 HH22 ARG A 65 4.261 -21.992 2.348 1.00 34.13 H new ATOM 1126 N LYS A 66 2.287 -16.658 8.708 1.00 55.44 N ATOM 1127 CA LYS A 66 2.437 -16.380 10.127 1.00 1.33 C ATOM 1128 C LYS A 66 1.114 -15.849 10.681 1.00 70.51 C ATOM 1129 O LYS A 66 0.589 -16.380 11.658 1.00 24.42 O ATOM 1130 CB LYS A 66 3.625 -15.445 10.367 1.00 12.24 C ATOM 1131 CG LYS A 66 4.888 -16.238 10.703 1.00 14.13 C ATOM 1132 CD LYS A 66 5.142 -17.332 9.662 1.00 31.51 C ATOM 1133 CE LYS A 66 6.054 -18.424 10.226 1.00 71.45 C ATOM 1134 NZ LYS A 66 5.251 -19.544 10.766 1.00 62.23 N ATOM 0 H LYS A 66 2.862 -16.078 8.097 1.00 55.44 H new ATOM 0 HA LYS A 66 2.666 -17.295 10.673 1.00 1.33 H new ATOM 0 HB2 LYS A 66 3.799 -14.837 9.479 1.00 12.24 H new ATOM 0 HB3 LYS A 66 3.394 -14.760 11.183 1.00 12.24 H new ATOM 0 HG2 LYS A 66 5.744 -15.565 10.745 1.00 14.13 H new ATOM 0 HG3 LYS A 66 4.788 -16.687 11.691 1.00 14.13 H new ATOM 0 HD2 LYS A 66 4.194 -17.770 9.351 1.00 31.51 H new ATOM 0 HD3 LYS A 66 5.598 -16.895 8.774 1.00 31.51 H new ATOM 0 HE2 LYS A 66 6.719 -18.790 9.444 1.00 71.45 H new ATOM 0 HE3 LYS A 66 6.685 -18.009 11.012 1.00 71.45 H new ATOM 0 HZ1 LYS A 66 5.886 -20.276 11.144 1.00 62.23 H new ATOM 0 HZ2 LYS A 66 4.634 -19.194 11.527 1.00 62.23 H new ATOM 0 HZ3 LYS A 66 4.668 -19.951 10.007 1.00 62.23 H new ATOM 1148 N ARG A 67 0.614 -14.808 10.032 1.00 1.25 N ATOM 1149 CA ARG A 67 -0.638 -14.198 10.447 1.00 11.04 C ATOM 1150 C ARG A 67 -1.707 -15.272 10.661 1.00 10.11 C ATOM 1151 O ARG A 67 -2.158 -15.491 11.784 1.00 74.15 O ATOM 1152 CB ARG A 67 -1.135 -13.194 9.405 1.00 53.20 C ATOM 1153 CG ARG A 67 -0.866 -11.756 9.857 1.00 23.03 C ATOM 1154 CD ARG A 67 -1.986 -11.248 10.766 1.00 34.01 C ATOM 1155 NE ARG A 67 -1.606 -11.430 12.186 1.00 70.52 N ATOM 1156 CZ ARG A 67 -0.840 -10.562 12.880 1.00 73.13 C ATOM 1157 NH1 ARG A 67 -0.364 -9.445 12.292 1.00 21.20 N ATOM 1158 NH2 ARG A 67 -0.562 -10.823 14.145 1.00 2.44 N ATOM 0 H ARG A 67 1.053 -14.371 9.222 1.00 1.25 H new ATOM 0 HA ARG A 67 -0.455 -13.671 11.383 1.00 11.04 H new ATOM 0 HB2 ARG A 67 -0.639 -13.378 8.452 1.00 53.20 H new ATOM 0 HB3 ARG A 67 -2.203 -13.334 9.241 1.00 53.20 H new ATOM 0 HG2 ARG A 67 0.086 -11.710 10.386 1.00 23.03 H new ATOM 0 HG3 ARG A 67 -0.778 -11.108 8.985 1.00 23.03 H new ATOM 0 HD2 ARG A 67 -2.180 -10.194 10.565 1.00 34.01 H new ATOM 0 HD3 ARG A 67 -2.909 -11.788 10.556 1.00 34.01 H new ATOM 0 HE ARG A 67 -1.944 -12.262 12.669 1.00 70.52 H new ATOM 0 HH11 ARG A 67 -0.582 -9.250 11.315 1.00 21.20 H new ATOM 0 HH12 ARG A 67 0.214 -8.795 12.825 1.00 21.20 H new ATOM 0 HH21 ARG A 67 -0.925 -11.670 14.583 1.00 2.44 H new ATOM 0 HH22 ARG A 67 0.015 -10.178 14.684 1.00 2.44 H new ATOM 1172 N ILE A 68 -2.080 -15.915 9.563 1.00 74.21 N ATOM 1173 CA ILE A 68 -3.087 -16.961 9.615 1.00 51.02 C ATOM 1174 C ILE A 68 -2.499 -18.194 10.305 1.00 1.12 C ATOM 1175 O ILE A 68 -3.210 -19.166 10.557 1.00 65.40 O ATOM 1176 CB ILE A 68 -3.640 -17.244 8.217 1.00 43.40 C ATOM 1177 CG1 ILE A 68 -2.511 -17.323 7.188 1.00 54.02 C ATOM 1178 CG2 ILE A 68 -4.699 -16.210 7.827 1.00 43.10 C ATOM 1179 CD1 ILE A 68 -2.950 -18.116 5.955 1.00 64.50 C ATOM 0 H ILE A 68 -1.703 -15.731 8.633 1.00 74.21 H new ATOM 0 HA ILE A 68 -3.941 -16.638 10.210 1.00 51.02 H new ATOM 0 HB ILE A 68 -4.131 -18.217 8.233 1.00 43.40 H new ATOM 0 HG12 ILE A 68 -2.213 -16.317 6.891 1.00 54.02 H new ATOM 0 HG13 ILE A 68 -1.637 -17.795 7.637 1.00 54.02 H new ATOM 0 HG21 ILE A 68 -5.076 -16.434 6.829 1.00 43.10 H new ATOM 0 HG22 ILE A 68 -5.521 -16.244 8.542 1.00 43.10 H new ATOM 0 HG23 ILE A 68 -4.255 -15.215 7.832 1.00 43.10 H new ATOM 0 HD11 ILE A 68 -2.130 -18.158 5.238 1.00 64.50 H new ATOM 0 HD12 ILE A 68 -3.224 -19.128 6.252 1.00 64.50 H new ATOM 0 HD13 ILE A 68 -3.809 -17.628 5.495 1.00 64.50 H new ATOM 1191 N MET A 69 -1.208 -18.115 10.590 1.00 12.12 N ATOM 1192 CA MET A 69 -0.517 -19.212 11.245 1.00 64.34 C ATOM 1193 C MET A 69 -0.927 -20.557 10.640 1.00 52.33 C ATOM 1194 O MET A 69 -1.173 -21.518 11.366 1.00 32.01 O ATOM 1195 CB MET A 69 -0.846 -19.203 12.738 1.00 12.53 C ATOM 1196 CG MET A 69 -2.338 -19.438 12.974 1.00 10.21 C ATOM 1197 SD MET A 69 -2.642 -19.761 14.703 1.00 12.40 S ATOM 1198 CE MET A 69 -3.138 -18.131 15.239 1.00 45.12 C ATOM 0 H MET A 69 -0.622 -17.307 10.379 1.00 12.12 H new ATOM 0 HA MET A 69 0.555 -19.081 11.099 1.00 64.34 H new ATOM 0 HB2 MET A 69 -0.268 -19.975 13.246 1.00 12.53 H new ATOM 0 HB3 MET A 69 -0.552 -18.248 13.173 1.00 12.53 H new ATOM 0 HG2 MET A 69 -2.907 -18.565 12.654 1.00 10.21 H new ATOM 0 HG3 MET A 69 -2.681 -20.280 12.373 1.00 10.21 H new ATOM 0 HE1 MET A 69 -3.367 -18.152 16.305 1.00 45.12 H new ATOM 0 HE2 MET A 69 -2.328 -17.425 15.056 1.00 45.12 H new ATOM 0 HE3 MET A 69 -4.023 -17.819 14.684 1.00 45.12 H new ATOM 1208 N LEU A 70 -0.986 -20.581 9.317 1.00 62.43 N ATOM 1209 CA LEU A 70 -1.361 -21.791 8.607 1.00 10.14 C ATOM 1210 C LEU A 70 -0.277 -22.850 8.805 1.00 2.25 C ATOM 1211 O LEU A 70 0.913 -22.535 8.799 1.00 31.43 O ATOM 1212 CB LEU A 70 -1.657 -21.480 7.138 1.00 61.22 C ATOM 1213 CG LEU A 70 -2.834 -22.236 6.516 1.00 11.33 C ATOM 1214 CD1 LEU A 70 -4.054 -22.206 7.439 1.00 30.12 C ATOM 1215 CD2 LEU A 70 -3.156 -21.696 5.122 1.00 2.24 C ATOM 0 H LEU A 70 -0.780 -19.781 8.718 1.00 62.43 H new ATOM 0 HA LEU A 70 -2.285 -22.201 9.014 1.00 10.14 H new ATOM 0 HB2 LEU A 70 -1.848 -20.411 7.045 1.00 61.22 H new ATOM 0 HB3 LEU A 70 -0.762 -21.696 6.554 1.00 61.22 H new ATOM 0 HG LEU A 70 -2.546 -23.281 6.398 1.00 11.33 H new ATOM 0 HD11 LEU A 70 -4.876 -22.750 6.974 1.00 30.12 H new ATOM 0 HD12 LEU A 70 -3.802 -22.674 8.391 1.00 30.12 H new ATOM 0 HD13 LEU A 70 -4.355 -21.173 7.611 1.00 30.12 H new ATOM 0 HD21 LEU A 70 -3.996 -22.250 4.702 1.00 2.24 H new ATOM 0 HD22 LEU A 70 -3.417 -20.640 5.192 1.00 2.24 H new ATOM 0 HD23 LEU A 70 -2.285 -21.813 4.477 1.00 2.24 H new ATOM 1227 N PRO A 71 -0.736 -24.119 8.978 1.00 43.24 N ATOM 1228 CA PRO A 71 0.183 -25.227 9.178 1.00 13.55 C ATOM 1229 C PRO A 71 0.864 -25.618 7.864 1.00 75.31 C ATOM 1230 O PRO A 71 0.450 -25.178 6.792 1.00 21.12 O ATOM 1231 CB PRO A 71 -0.669 -26.344 9.760 1.00 61.24 C ATOM 1232 CG PRO A 71 -2.109 -25.984 9.432 1.00 24.13 C ATOM 1233 CD PRO A 71 -2.136 -24.530 8.991 1.00 33.31 C ATOM 0 HA PRO A 71 1.003 -24.977 9.851 1.00 13.55 H new ATOM 0 HB2 PRO A 71 -0.399 -27.307 9.327 1.00 61.24 H new ATOM 0 HB3 PRO A 71 -0.523 -26.426 10.837 1.00 61.24 H new ATOM 0 HG2 PRO A 71 -2.494 -26.630 8.643 1.00 24.13 H new ATOM 0 HG3 PRO A 71 -2.747 -26.131 10.303 1.00 24.13 H new ATOM 0 HD2 PRO A 71 -2.589 -24.424 8.005 1.00 33.31 H new ATOM 0 HD3 PRO A 71 -2.721 -23.919 9.678 1.00 33.31 H new ATOM 1241 N PRO A 72 1.925 -26.458 7.996 1.00 11.43 N ATOM 1242 CA PRO A 72 2.668 -26.913 6.832 1.00 73.31 C ATOM 1243 C PRO A 72 1.880 -27.971 6.058 1.00 14.34 C ATOM 1244 O PRO A 72 2.349 -28.477 5.039 1.00 14.13 O ATOM 1245 CB PRO A 72 3.982 -27.438 7.386 1.00 1.11 C ATOM 1246 CG PRO A 72 3.741 -27.687 8.865 1.00 12.50 C ATOM 1247 CD PRO A 72 2.442 -26.997 9.250 1.00 2.00 C ATOM 0 HA PRO A 72 2.845 -26.118 6.108 1.00 73.31 H new ATOM 0 HB2 PRO A 72 4.281 -28.356 6.879 1.00 1.11 H new ATOM 0 HB3 PRO A 72 4.785 -26.716 7.237 1.00 1.11 H new ATOM 0 HG2 PRO A 72 3.679 -28.756 9.067 1.00 12.50 H new ATOM 0 HG3 PRO A 72 4.569 -27.298 9.457 1.00 12.50 H new ATOM 0 HD2 PRO A 72 1.739 -27.698 9.700 1.00 2.00 H new ATOM 0 HD3 PRO A 72 2.615 -26.206 9.980 1.00 2.00 H new ATOM 1255 N GLU A 73 0.696 -28.273 6.569 1.00 4.32 N ATOM 1256 CA GLU A 73 -0.162 -29.262 5.939 1.00 33.04 C ATOM 1257 C GLU A 73 -1.068 -28.595 4.901 1.00 15.04 C ATOM 1258 O GLU A 73 -1.925 -29.247 4.309 1.00 75.11 O ATOM 1259 CB GLU A 73 -0.987 -30.019 6.981 1.00 51.24 C ATOM 1260 CG GLU A 73 -2.091 -29.130 7.557 1.00 33.54 C ATOM 1261 CD GLU A 73 -3.111 -29.960 8.339 1.00 53.33 C ATOM 1262 OE1 GLU A 73 -3.253 -29.779 9.558 1.00 25.23 O ATOM 1263 OE2 GLU A 73 -3.770 -30.818 7.636 1.00 11.00 O ATOM 0 H GLU A 73 0.310 -27.850 7.413 1.00 4.32 H new ATOM 0 HA GLU A 73 0.470 -29.989 5.428 1.00 33.04 H new ATOM 0 HB2 GLU A 73 -1.429 -30.905 6.526 1.00 51.24 H new ATOM 0 HB3 GLU A 73 -0.336 -30.364 7.785 1.00 51.24 H new ATOM 0 HG2 GLU A 73 -1.652 -28.376 8.211 1.00 33.54 H new ATOM 0 HG3 GLU A 73 -2.593 -28.598 6.749 1.00 33.54 H new ATOM 1271 N LYS A 74 -0.848 -27.301 4.715 1.00 15.22 N ATOM 1272 CA LYS A 74 -1.634 -26.538 3.761 1.00 74.24 C ATOM 1273 C LYS A 74 -0.695 -25.849 2.769 1.00 4.24 C ATOM 1274 O LYS A 74 0.523 -25.997 2.856 1.00 22.52 O ATOM 1275 CB LYS A 74 -2.574 -25.575 4.490 1.00 43.43 C ATOM 1276 CG LYS A 74 -3.805 -26.310 5.024 1.00 13.23 C ATOM 1277 CD LYS A 74 -5.093 -25.617 4.575 1.00 31.31 C ATOM 1278 CE LYS A 74 -5.807 -26.432 3.495 1.00 43.12 C ATOM 1279 NZ LYS A 74 -7.084 -25.787 3.117 1.00 72.20 N ATOM 0 H LYS A 74 -0.137 -26.762 5.209 1.00 15.22 H new ATOM 0 HA LYS A 74 -2.279 -27.199 3.183 1.00 74.24 H new ATOM 0 HB2 LYS A 74 -2.044 -25.099 5.315 1.00 43.43 H new ATOM 0 HB3 LYS A 74 -2.886 -24.782 3.811 1.00 43.43 H new ATOM 0 HG2 LYS A 74 -3.800 -27.341 4.670 1.00 13.23 H new ATOM 0 HG3 LYS A 74 -3.768 -26.347 6.113 1.00 13.23 H new ATOM 0 HD2 LYS A 74 -5.755 -25.482 5.431 1.00 31.31 H new ATOM 0 HD3 LYS A 74 -4.861 -24.623 4.192 1.00 31.31 H new ATOM 0 HE2 LYS A 74 -5.166 -26.525 2.618 1.00 43.12 H new ATOM 0 HE3 LYS A 74 -5.997 -27.442 3.859 1.00 43.12 H new ATOM 0 HZ1 LYS A 74 -7.555 -26.354 2.383 1.00 72.20 H new ATOM 0 HZ2 LYS A 74 -7.700 -25.721 3.952 1.00 72.20 H new ATOM 0 HZ3 LYS A 74 -6.895 -24.832 2.750 1.00 72.20 H new ATOM 1293 N ALA A 75 -1.297 -25.108 1.851 1.00 2.43 N ATOM 1294 CA ALA A 75 -0.530 -24.395 0.843 1.00 13.52 C ATOM 1295 C ALA A 75 -1.123 -22.997 0.651 1.00 54.01 C ATOM 1296 O ALA A 75 -2.343 -22.838 0.611 1.00 43.42 O ATOM 1297 CB ALA A 75 -0.513 -25.205 -0.454 1.00 3.35 C ATOM 0 H ALA A 75 -2.307 -24.986 1.784 1.00 2.43 H new ATOM 0 HA ALA A 75 0.505 -24.273 1.164 1.00 13.52 H new ATOM 0 HB1 ALA A 75 0.062 -24.670 -1.210 1.00 3.35 H new ATOM 0 HB2 ALA A 75 -0.055 -26.177 -0.270 1.00 3.35 H new ATOM 0 HB3 ALA A 75 -1.534 -25.346 -0.808 1.00 3.35 H new ATOM 1303 N ILE A 76 -0.234 -22.022 0.535 1.00 45.33 N ATOM 1304 CA ILE A 76 -0.655 -20.644 0.348 1.00 65.33 C ATOM 1305 C ILE A 76 0.132 -20.029 -0.810 1.00 4.31 C ATOM 1306 O ILE A 76 1.359 -19.981 -0.775 1.00 22.55 O ATOM 1307 CB ILE A 76 -0.532 -19.863 1.658 1.00 71.13 C ATOM 1308 CG1 ILE A 76 -1.721 -18.920 1.849 1.00 33.21 C ATOM 1309 CG2 ILE A 76 0.804 -19.122 1.731 1.00 65.54 C ATOM 1310 CD1 ILE A 76 -1.462 -17.935 2.990 1.00 43.42 C ATOM 0 H ILE A 76 0.776 -22.159 0.567 1.00 45.33 H new ATOM 0 HA ILE A 76 -1.710 -20.601 0.077 1.00 65.33 H new ATOM 0 HB ILE A 76 -0.551 -20.576 2.483 1.00 71.13 H new ATOM 0 HG12 ILE A 76 -1.907 -18.372 0.926 1.00 33.21 H new ATOM 0 HG13 ILE A 76 -2.619 -19.500 2.061 1.00 33.21 H new ATOM 0 HG21 ILE A 76 0.866 -18.575 2.672 1.00 65.54 H new ATOM 0 HG22 ILE A 76 1.622 -19.840 1.674 1.00 65.54 H new ATOM 0 HG23 ILE A 76 0.878 -18.422 0.899 1.00 65.54 H new ATOM 0 HD11 ILE A 76 -2.323 -17.276 3.104 1.00 43.42 H new ATOM 0 HD12 ILE A 76 -1.301 -18.486 3.917 1.00 43.42 H new ATOM 0 HD13 ILE A 76 -0.577 -17.340 2.763 1.00 43.42 H new ATOM 1322 N PHE A 77 -0.609 -19.572 -1.811 1.00 12.42 N ATOM 1323 CA PHE A 77 0.003 -18.962 -2.978 1.00 62.30 C ATOM 1324 C PHE A 77 -0.478 -17.522 -3.160 1.00 33.33 C ATOM 1325 O PHE A 77 -1.642 -17.215 -2.904 1.00 33.52 O ATOM 1326 CB PHE A 77 -0.426 -19.788 -4.192 1.00 40.44 C ATOM 1327 CG PHE A 77 -0.058 -21.270 -4.098 1.00 70.23 C ATOM 1328 CD1 PHE A 77 -0.875 -22.134 -3.439 1.00 44.34 C ATOM 1329 CD2 PHE A 77 1.088 -21.724 -4.674 1.00 4.54 C ATOM 1330 CE1 PHE A 77 -0.534 -23.509 -3.352 1.00 41.05 C ATOM 1331 CE2 PHE A 77 1.429 -23.100 -4.587 1.00 1.33 C ATOM 1332 CZ PHE A 77 0.611 -23.964 -3.928 1.00 35.23 C ATOM 0 H PHE A 77 -1.628 -19.613 -1.836 1.00 12.42 H new ATOM 0 HA PHE A 77 1.087 -18.942 -2.862 1.00 62.30 H new ATOM 0 HB2 PHE A 77 -1.505 -19.699 -4.316 1.00 40.44 H new ATOM 0 HB3 PHE A 77 0.033 -19.366 -5.086 1.00 40.44 H new ATOM 0 HD1 PHE A 77 -1.784 -21.774 -2.981 1.00 44.34 H new ATOM 0 HD2 PHE A 77 1.738 -21.038 -5.197 1.00 4.54 H new ATOM 0 HE1 PHE A 77 -1.184 -24.194 -2.828 1.00 41.05 H new ATOM 0 HE2 PHE A 77 2.338 -23.461 -5.044 1.00 1.33 H new ATOM 0 HZ PHE A 77 0.870 -25.010 -3.862 1.00 35.23 H new ATOM 1342 N ILE A 78 0.440 -16.676 -3.600 1.00 3.55 N ATOM 1343 CA ILE A 78 0.124 -15.274 -3.821 1.00 70.04 C ATOM 1344 C ILE A 78 -0.486 -15.106 -5.213 1.00 63.43 C ATOM 1345 O ILE A 78 -0.281 -15.944 -6.090 1.00 62.34 O ATOM 1346 CB ILE A 78 1.358 -14.403 -3.580 1.00 15.11 C ATOM 1347 CG1 ILE A 78 2.054 -14.786 -2.273 1.00 31.40 C ATOM 1348 CG2 ILE A 78 0.995 -12.916 -3.621 1.00 23.31 C ATOM 1349 CD1 ILE A 78 1.394 -14.100 -1.076 1.00 44.32 C ATOM 0 H ILE A 78 1.404 -16.934 -3.810 1.00 3.55 H new ATOM 0 HA ILE A 78 -0.623 -14.934 -3.103 1.00 70.04 H new ATOM 0 HB ILE A 78 2.067 -14.585 -4.387 1.00 15.11 H new ATOM 0 HG12 ILE A 78 2.018 -15.867 -2.142 1.00 31.40 H new ATOM 0 HG13 ILE A 78 3.106 -14.506 -2.322 1.00 31.40 H new ATOM 0 HG21 ILE A 78 1.890 -12.318 -3.447 1.00 23.31 H new ATOM 0 HG22 ILE A 78 0.579 -12.670 -4.598 1.00 23.31 H new ATOM 0 HG23 ILE A 78 0.258 -12.700 -2.848 1.00 23.31 H new ATOM 0 HD11 ILE A 78 1.909 -14.391 -0.160 1.00 44.32 H new ATOM 0 HD12 ILE A 78 1.453 -13.019 -1.198 1.00 44.32 H new ATOM 0 HD13 ILE A 78 0.348 -14.401 -1.015 1.00 44.32 H new ATOM 1361 N PHE A 79 -1.223 -14.017 -5.373 1.00 54.23 N ATOM 1362 CA PHE A 79 -1.865 -13.727 -6.644 1.00 2.04 C ATOM 1363 C PHE A 79 -1.964 -12.219 -6.879 1.00 53.42 C ATOM 1364 O PHE A 79 -2.424 -11.480 -6.009 1.00 2.01 O ATOM 1365 CB PHE A 79 -3.277 -14.314 -6.578 1.00 31.10 C ATOM 1366 CG PHE A 79 -3.390 -15.730 -7.144 1.00 60.10 C ATOM 1367 CD1 PHE A 79 -3.370 -15.928 -8.488 1.00 2.43 C ATOM 1368 CD2 PHE A 79 -3.511 -16.793 -6.302 1.00 30.00 C ATOM 1369 CE1 PHE A 79 -3.474 -17.244 -9.015 1.00 63.12 C ATOM 1370 CE2 PHE A 79 -3.617 -18.107 -6.829 1.00 1.54 C ATOM 1371 CZ PHE A 79 -3.595 -18.304 -8.174 1.00 62.01 C ATOM 0 H PHE A 79 -1.390 -13.324 -4.643 1.00 54.23 H new ATOM 0 HA PHE A 79 -1.283 -14.157 -7.459 1.00 2.04 H new ATOM 0 HB2 PHE A 79 -3.608 -14.322 -5.539 1.00 31.10 H new ATOM 0 HB3 PHE A 79 -3.957 -13.660 -7.124 1.00 31.10 H new ATOM 0 HD1 PHE A 79 -3.275 -15.085 -9.156 1.00 2.43 H new ATOM 0 HD2 PHE A 79 -3.526 -16.637 -5.233 1.00 30.00 H new ATOM 0 HE1 PHE A 79 -3.457 -17.401 -10.083 1.00 63.12 H new ATOM 0 HE2 PHE A 79 -3.715 -18.950 -6.161 1.00 1.54 H new ATOM 0 HZ PHE A 79 -3.674 -19.304 -8.574 1.00 62.01 H new ATOM 1381 N VAL A 80 -1.522 -11.804 -8.058 1.00 21.44 N ATOM 1382 CA VAL A 80 -1.553 -10.398 -8.417 1.00 62.12 C ATOM 1383 C VAL A 80 -2.012 -10.257 -9.870 1.00 53.14 C ATOM 1384 O VAL A 80 -1.322 -10.697 -10.787 1.00 72.31 O ATOM 1385 CB VAL A 80 -0.188 -9.760 -8.157 1.00 75.21 C ATOM 1386 CG1 VAL A 80 -0.319 -8.251 -7.945 1.00 74.51 C ATOM 1387 CG2 VAL A 80 0.507 -10.422 -6.966 1.00 72.24 C ATOM 0 H VAL A 80 -1.140 -12.419 -8.777 1.00 21.44 H new ATOM 0 HA VAL A 80 -2.270 -9.862 -7.796 1.00 62.12 H new ATOM 0 HB VAL A 80 0.431 -9.921 -9.040 1.00 75.21 H new ATOM 0 HG11 VAL A 80 0.666 -7.822 -7.762 1.00 74.51 H new ATOM 0 HG12 VAL A 80 -0.754 -7.795 -8.835 1.00 74.51 H new ATOM 0 HG13 VAL A 80 -0.963 -8.059 -7.087 1.00 74.51 H new ATOM 0 HG21 VAL A 80 1.476 -9.950 -6.802 1.00 72.24 H new ATOM 0 HG22 VAL A 80 -0.109 -10.305 -6.074 1.00 72.24 H new ATOM 0 HG23 VAL A 80 0.650 -11.483 -7.172 1.00 72.24 H new ATOM 1397 N ASN A 81 -3.174 -9.641 -10.033 1.00 42.00 N ATOM 1398 CA ASN A 81 -3.733 -9.437 -11.359 1.00 42.34 C ATOM 1399 C ASN A 81 -4.119 -10.790 -11.960 1.00 23.52 C ATOM 1400 O ASN A 81 -4.257 -10.918 -13.175 1.00 11.11 O ATOM 1401 CB ASN A 81 -2.712 -8.780 -12.292 1.00 33.42 C ATOM 1402 CG ASN A 81 -1.815 -7.808 -11.524 1.00 32.13 C ATOM 1403 OD1 ASN A 81 -2.165 -6.667 -11.268 1.00 74.42 O ATOM 1404 ND2 ASN A 81 -0.640 -8.321 -11.170 1.00 23.44 N ATOM 0 H ASN A 81 -3.743 -9.277 -9.269 1.00 42.00 H new ATOM 0 HA ASN A 81 -4.603 -8.788 -11.261 1.00 42.34 H new ATOM 0 HB2 ASN A 81 -2.101 -9.548 -12.766 1.00 33.42 H new ATOM 0 HB3 ASN A 81 -3.232 -8.249 -13.089 1.00 33.42 H new ATOM 0 HD21 ASN A 81 0.030 -7.752 -10.653 1.00 23.44 H new ATOM 0 HD22 ASN A 81 -0.409 -9.284 -11.416 1.00 23.44 H new ATOM 1411 N ASP A 82 -4.281 -11.768 -11.079 1.00 73.32 N ATOM 1412 CA ASP A 82 -4.648 -13.107 -11.507 1.00 23.32 C ATOM 1413 C ASP A 82 -3.392 -13.854 -11.960 1.00 11.03 C ATOM 1414 O ASP A 82 -3.485 -14.882 -12.631 1.00 50.53 O ATOM 1415 CB ASP A 82 -5.622 -13.060 -12.686 1.00 70.50 C ATOM 1416 CG ASP A 82 -6.625 -11.907 -12.649 1.00 21.54 C ATOM 1417 OD1 ASP A 82 -6.752 -11.201 -11.637 1.00 75.13 O ATOM 1418 OD2 ASP A 82 -7.305 -11.741 -13.734 1.00 63.05 O ATOM 0 H ASP A 82 -4.165 -11.659 -10.072 1.00 73.32 H new ATOM 0 HA ASP A 82 -5.124 -13.612 -10.666 1.00 23.32 H new ATOM 0 HB2 ASP A 82 -5.048 -12.993 -13.610 1.00 70.50 H new ATOM 0 HB3 ASP A 82 -6.173 -14.000 -12.721 1.00 70.50 H new ATOM 1424 N THR A 83 -2.247 -13.310 -11.577 1.00 42.44 N ATOM 1425 CA THR A 83 -0.974 -13.912 -11.937 1.00 61.11 C ATOM 1426 C THR A 83 -0.172 -14.255 -10.679 1.00 21.15 C ATOM 1427 O THR A 83 -0.123 -13.466 -9.737 1.00 74.25 O ATOM 1428 CB THR A 83 -0.245 -12.953 -12.879 1.00 23.31 C ATOM 1429 OG1 THR A 83 0.496 -13.810 -13.742 1.00 43.30 O ATOM 1430 CG2 THR A 83 0.826 -12.128 -12.162 1.00 30.14 C ATOM 0 H THR A 83 -2.174 -12.458 -11.021 1.00 42.44 H new ATOM 0 HA THR A 83 -1.118 -14.857 -12.461 1.00 61.11 H new ATOM 0 HB THR A 83 -0.968 -12.283 -13.344 1.00 23.31 H new ATOM 0 HG1 THR A 83 0.998 -13.270 -14.387 1.00 43.30 H new ATOM 0 HG21 THR A 83 1.313 -11.464 -12.876 1.00 30.14 H new ATOM 0 HG22 THR A 83 0.362 -11.535 -11.374 1.00 30.14 H new ATOM 0 HG23 THR A 83 1.568 -12.796 -11.724 1.00 30.14 H new ATOM 1438 N LEU A 84 0.435 -15.432 -10.706 1.00 12.33 N ATOM 1439 CA LEU A 84 1.233 -15.888 -9.579 1.00 64.22 C ATOM 1440 C LEU A 84 2.693 -15.492 -9.801 1.00 22.45 C ATOM 1441 O LEU A 84 3.358 -16.027 -10.688 1.00 1.12 O ATOM 1442 CB LEU A 84 1.028 -17.387 -9.352 1.00 62.51 C ATOM 1443 CG LEU A 84 0.882 -17.831 -7.895 1.00 1.30 C ATOM 1444 CD1 LEU A 84 -0.586 -18.074 -7.540 1.00 31.45 C ATOM 1445 CD2 LEU A 84 1.753 -19.054 -7.604 1.00 5.15 C ATOM 0 H LEU A 84 0.391 -16.084 -11.489 1.00 12.33 H new ATOM 0 HA LEU A 84 0.908 -15.402 -8.659 1.00 64.22 H new ATOM 0 HB2 LEU A 84 0.137 -17.698 -9.897 1.00 62.51 H new ATOM 0 HB3 LEU A 84 1.872 -17.919 -9.791 1.00 62.51 H new ATOM 0 HG LEU A 84 1.238 -17.024 -7.255 1.00 1.30 H new ATOM 0 HD11 LEU A 84 -0.661 -18.389 -6.499 1.00 31.45 H new ATOM 0 HD12 LEU A 84 -1.152 -17.154 -7.683 1.00 31.45 H new ATOM 0 HD13 LEU A 84 -0.992 -18.853 -8.185 1.00 31.45 H new ATOM 0 HD21 LEU A 84 1.630 -19.348 -6.562 1.00 5.15 H new ATOM 0 HD22 LEU A 84 1.452 -19.877 -8.252 1.00 5.15 H new ATOM 0 HD23 LEU A 84 2.798 -18.809 -7.791 1.00 5.15 H new ATOM 1457 N PRO A 85 3.163 -14.534 -8.958 1.00 73.14 N ATOM 1458 CA PRO A 85 4.534 -14.060 -9.053 1.00 54.01 C ATOM 1459 C PRO A 85 5.511 -15.091 -8.482 1.00 31.32 C ATOM 1460 O PRO A 85 5.135 -15.908 -7.644 1.00 23.50 O ATOM 1461 CB PRO A 85 4.548 -12.744 -8.294 1.00 13.52 C ATOM 1462 CG PRO A 85 3.310 -12.757 -7.412 1.00 42.32 C ATOM 1463 CD PRO A 85 2.405 -13.878 -7.896 1.00 13.01 C ATOM 0 HA PRO A 85 4.859 -13.914 -10.083 1.00 54.01 H new ATOM 0 HB2 PRO A 85 5.453 -12.649 -7.695 1.00 13.52 H new ATOM 0 HB3 PRO A 85 4.530 -11.897 -8.980 1.00 13.52 H new ATOM 0 HG2 PRO A 85 3.586 -12.912 -6.369 1.00 42.32 H new ATOM 0 HG3 PRO A 85 2.793 -11.799 -7.466 1.00 42.32 H new ATOM 0 HD2 PRO A 85 2.170 -14.573 -7.090 1.00 13.01 H new ATOM 0 HD3 PRO A 85 1.457 -13.489 -8.268 1.00 13.01 H new ATOM 1471 N PRO A 86 6.777 -15.013 -8.972 1.00 12.01 N ATOM 1472 CA PRO A 86 7.810 -15.929 -8.519 1.00 0.14 C ATOM 1473 C PRO A 86 8.294 -15.561 -7.115 1.00 13.22 C ATOM 1474 O PRO A 86 7.629 -14.810 -6.403 1.00 70.44 O ATOM 1475 CB PRO A 86 8.905 -15.835 -9.568 1.00 21.33 C ATOM 1476 CG PRO A 86 8.656 -14.535 -10.317 1.00 1.45 C ATOM 1477 CD PRO A 86 7.257 -14.057 -9.965 1.00 12.41 C ATOM 0 HA PRO A 86 7.452 -16.954 -8.426 1.00 0.14 H new ATOM 0 HB2 PRO A 86 9.891 -15.835 -9.104 1.00 21.33 H new ATOM 0 HB3 PRO A 86 8.871 -16.688 -10.245 1.00 21.33 H new ATOM 0 HG2 PRO A 86 9.397 -13.786 -10.039 1.00 1.45 H new ATOM 0 HG3 PRO A 86 8.748 -14.690 -11.392 1.00 1.45 H new ATOM 0 HD2 PRO A 86 7.274 -13.044 -9.563 1.00 12.41 H new ATOM 0 HD3 PRO A 86 6.612 -14.041 -10.843 1.00 12.41 H new ATOM 1485 N THR A 87 9.448 -16.105 -6.759 1.00 44.33 N ATOM 1486 CA THR A 87 10.028 -15.843 -5.452 1.00 62.41 C ATOM 1487 C THR A 87 11.073 -14.731 -5.548 1.00 30.31 C ATOM 1488 O THR A 87 11.218 -13.929 -4.625 1.00 14.22 O ATOM 1489 CB THR A 87 10.589 -17.160 -4.912 1.00 10.12 C ATOM 1490 OG1 THR A 87 11.833 -17.312 -5.592 1.00 55.12 O ATOM 1491 CG2 THR A 87 9.771 -18.373 -5.357 1.00 50.43 C ATOM 0 H THR A 87 9.998 -16.726 -7.353 1.00 44.33 H new ATOM 0 HA THR A 87 9.277 -15.481 -4.750 1.00 62.41 H new ATOM 0 HB THR A 87 10.617 -17.122 -3.823 1.00 10.12 H new ATOM 0 HG1 THR A 87 12.266 -18.141 -5.300 1.00 55.12 H new ATOM 0 HG21 THR A 87 10.213 -19.281 -4.946 1.00 50.43 H new ATOM 0 HG22 THR A 87 8.747 -18.273 -4.997 1.00 50.43 H new ATOM 0 HG23 THR A 87 9.769 -18.431 -6.445 1.00 50.43 H new ATOM 1499 N ALA A 88 11.773 -14.713 -6.672 1.00 71.44 N ATOM 1500 CA ALA A 88 12.801 -13.712 -6.900 1.00 13.45 C ATOM 1501 C ALA A 88 12.141 -12.402 -7.334 1.00 44.20 C ATOM 1502 O ALA A 88 12.828 -11.425 -7.630 1.00 63.25 O ATOM 1503 CB ALA A 88 13.802 -14.232 -7.933 1.00 64.41 C ATOM 0 H ALA A 88 11.648 -15.377 -7.436 1.00 71.44 H new ATOM 0 HA ALA A 88 13.355 -13.515 -5.982 1.00 13.45 H new ATOM 0 HB1 ALA A 88 14.573 -13.480 -8.103 1.00 64.41 H new ATOM 0 HB2 ALA A 88 14.264 -15.148 -7.564 1.00 64.41 H new ATOM 0 HB3 ALA A 88 13.284 -14.439 -8.869 1.00 64.41 H new ATOM 1509 N ALA A 89 10.817 -12.422 -7.359 1.00 34.45 N ATOM 1510 CA ALA A 89 10.058 -11.248 -7.753 1.00 73.43 C ATOM 1511 C ALA A 89 10.050 -10.240 -6.602 1.00 42.11 C ATOM 1512 O ALA A 89 8.990 -9.885 -6.090 1.00 30.52 O ATOM 1513 CB ALA A 89 8.647 -11.669 -8.170 1.00 61.45 C ATOM 0 H ALA A 89 10.250 -13.233 -7.113 1.00 34.45 H new ATOM 0 HA ALA A 89 10.521 -10.762 -8.612 1.00 73.43 H new ATOM 0 HB1 ALA A 89 8.077 -10.788 -8.466 1.00 61.45 H new ATOM 0 HB2 ALA A 89 8.707 -12.361 -9.010 1.00 61.45 H new ATOM 0 HB3 ALA A 89 8.151 -12.158 -7.332 1.00 61.45 H new ATOM 1519 N LEU A 90 11.246 -9.808 -6.229 1.00 64.42 N ATOM 1520 CA LEU A 90 11.390 -8.849 -5.149 1.00 63.51 C ATOM 1521 C LEU A 90 10.134 -7.979 -5.072 1.00 52.21 C ATOM 1522 O LEU A 90 9.813 -7.263 -6.020 1.00 54.01 O ATOM 1523 CB LEU A 90 12.684 -8.049 -5.310 1.00 34.25 C ATOM 1524 CG LEU A 90 13.982 -8.809 -5.035 1.00 71.21 C ATOM 1525 CD1 LEU A 90 15.158 -7.844 -4.868 1.00 54.54 C ATOM 1526 CD2 LEU A 90 13.828 -9.738 -3.828 1.00 41.31 C ATOM 0 H LEU A 90 12.123 -10.105 -6.656 1.00 64.42 H new ATOM 0 HA LEU A 90 11.479 -9.365 -4.193 1.00 63.51 H new ATOM 0 HB2 LEU A 90 12.723 -7.660 -6.328 1.00 34.25 H new ATOM 0 HB3 LEU A 90 12.641 -7.189 -4.642 1.00 34.25 H new ATOM 0 HG LEU A 90 14.200 -9.436 -5.899 1.00 71.21 H new ATOM 0 HD11 LEU A 90 16.069 -8.410 -4.673 1.00 54.54 H new ATOM 0 HD12 LEU A 90 15.282 -7.260 -5.780 1.00 54.54 H new ATOM 0 HD13 LEU A 90 14.962 -7.173 -4.031 1.00 54.54 H new ATOM 0 HD21 LEU A 90 14.765 -10.267 -3.654 1.00 41.31 H new ATOM 0 HD22 LEU A 90 13.574 -9.150 -2.946 1.00 41.31 H new ATOM 0 HD23 LEU A 90 13.035 -10.460 -4.023 1.00 41.31 H new ATOM 1538 N MET A 91 9.458 -8.068 -3.936 1.00 32.43 N ATOM 1539 CA MET A 91 8.244 -7.299 -3.725 1.00 22.31 C ATOM 1540 C MET A 91 8.387 -5.883 -4.291 1.00 44.01 C ATOM 1541 O MET A 91 7.398 -5.266 -4.685 1.00 41.02 O ATOM 1542 CB MET A 91 7.942 -7.222 -2.228 1.00 61.30 C ATOM 1543 CG MET A 91 7.812 -8.621 -1.622 1.00 10.20 C ATOM 1544 SD MET A 91 6.358 -9.433 -2.265 1.00 71.21 S ATOM 1545 CE MET A 91 5.171 -8.111 -2.108 1.00 3.14 C ATOM 0 H MET A 91 9.728 -8.661 -3.152 1.00 32.43 H new ATOM 0 HA MET A 91 7.425 -7.797 -4.244 1.00 22.31 H new ATOM 0 HB2 MET A 91 8.736 -6.675 -1.721 1.00 61.30 H new ATOM 0 HB3 MET A 91 7.019 -6.665 -2.068 1.00 61.30 H new ATOM 0 HG2 MET A 91 8.700 -9.210 -1.853 1.00 10.20 H new ATOM 0 HG3 MET A 91 7.749 -8.551 -0.536 1.00 10.20 H new ATOM 0 HE1 MET A 91 4.162 -8.520 -2.156 1.00 3.14 H new ATOM 0 HE2 MET A 91 5.313 -7.606 -1.152 1.00 3.14 H new ATOM 0 HE3 MET A 91 5.312 -7.397 -2.920 1.00 3.14 H new ATOM 1555 N SER A 92 9.625 -5.412 -4.312 1.00 61.22 N ATOM 1556 CA SER A 92 9.910 -4.081 -4.822 1.00 10.22 C ATOM 1557 C SER A 92 9.615 -4.022 -6.323 1.00 3.55 C ATOM 1558 O SER A 92 8.926 -3.116 -6.788 1.00 30.35 O ATOM 1559 CB SER A 92 11.363 -3.687 -4.551 1.00 12.35 C ATOM 1560 OG SER A 92 12.231 -4.817 -4.545 1.00 55.11 O ATOM 0 H SER A 92 10.442 -5.928 -3.984 1.00 61.22 H new ATOM 0 HA SER A 92 9.267 -3.371 -4.303 1.00 10.22 H new ATOM 0 HB2 SER A 92 11.694 -2.980 -5.311 1.00 12.35 H new ATOM 0 HB3 SER A 92 11.427 -3.176 -3.590 1.00 12.35 H new ATOM 0 HG SER A 92 12.849 -4.751 -3.787 1.00 55.11 H new ATOM 1566 N ALA A 93 10.152 -5.000 -7.037 1.00 51.43 N ATOM 1567 CA ALA A 93 9.956 -5.071 -8.476 1.00 44.32 C ATOM 1568 C ALA A 93 8.511 -5.483 -8.769 1.00 70.44 C ATOM 1569 O ALA A 93 8.078 -5.458 -9.919 1.00 35.31 O ATOM 1570 CB ALA A 93 10.972 -6.040 -9.083 1.00 51.33 C ATOM 0 H ALA A 93 10.723 -5.750 -6.647 1.00 51.43 H new ATOM 0 HA ALA A 93 10.121 -4.096 -8.934 1.00 44.32 H new ATOM 0 HB1 ALA A 93 10.825 -6.093 -10.162 1.00 51.33 H new ATOM 0 HB2 ALA A 93 11.982 -5.688 -8.871 1.00 51.33 H new ATOM 0 HB3 ALA A 93 10.835 -7.030 -8.649 1.00 51.33 H new ATOM 1576 N ILE A 94 7.806 -5.848 -7.708 1.00 40.34 N ATOM 1577 CA ILE A 94 6.421 -6.264 -7.838 1.00 0.42 C ATOM 1578 C ILE A 94 5.511 -5.042 -7.692 1.00 61.53 C ATOM 1579 O ILE A 94 4.602 -4.841 -8.496 1.00 44.40 O ATOM 1580 CB ILE A 94 6.104 -7.389 -6.850 1.00 24.11 C ATOM 1581 CG1 ILE A 94 6.928 -8.640 -7.160 1.00 53.44 C ATOM 1582 CG2 ILE A 94 4.603 -7.684 -6.818 1.00 24.34 C ATOM 1583 CD1 ILE A 94 6.404 -9.344 -8.414 1.00 10.40 C ATOM 0 H ILE A 94 8.169 -5.864 -6.755 1.00 40.34 H new ATOM 0 HA ILE A 94 6.239 -6.681 -8.828 1.00 0.42 H new ATOM 0 HB ILE A 94 6.388 -7.056 -5.852 1.00 24.11 H new ATOM 0 HG12 ILE A 94 7.973 -8.365 -7.302 1.00 53.44 H new ATOM 0 HG13 ILE A 94 6.891 -9.324 -6.312 1.00 53.44 H new ATOM 0 HG21 ILE A 94 4.405 -8.487 -6.108 1.00 24.34 H new ATOM 0 HG22 ILE A 94 4.063 -6.788 -6.512 1.00 24.34 H new ATOM 0 HG23 ILE A 94 4.271 -7.987 -7.811 1.00 24.34 H new ATOM 0 HD11 ILE A 94 7.007 -10.230 -8.613 1.00 10.40 H new ATOM 0 HD12 ILE A 94 5.366 -9.639 -8.259 1.00 10.40 H new ATOM 0 HD13 ILE A 94 6.465 -8.665 -9.265 1.00 10.40 H new ATOM 1595 N TYR A 95 5.787 -4.259 -6.659 1.00 51.15 N ATOM 1596 CA TYR A 95 5.005 -3.063 -6.398 1.00 20.24 C ATOM 1597 C TYR A 95 5.287 -1.983 -7.443 1.00 42.21 C ATOM 1598 O TYR A 95 4.634 -0.942 -7.458 1.00 45.41 O ATOM 1599 CB TYR A 95 5.454 -2.558 -5.025 1.00 42.53 C ATOM 1600 CG TYR A 95 4.917 -1.171 -4.666 1.00 20.22 C ATOM 1601 CD1 TYR A 95 5.441 -0.049 -5.277 1.00 32.12 C ATOM 1602 CD2 TYR A 95 3.909 -1.041 -3.734 1.00 42.40 C ATOM 1603 CE1 TYR A 95 4.937 1.256 -4.939 1.00 52.14 C ATOM 1604 CE2 TYR A 95 3.404 0.266 -3.396 1.00 23.54 C ATOM 1605 CZ TYR A 95 3.943 1.349 -4.016 1.00 24.44 C ATOM 1606 OH TYR A 95 3.466 2.583 -3.697 1.00 51.50 O ATOM 0 H TYR A 95 6.541 -4.430 -5.994 1.00 51.15 H new ATOM 0 HA TYR A 95 3.939 -3.286 -6.434 1.00 20.24 H new ATOM 0 HB2 TYR A 95 5.132 -3.269 -4.264 1.00 42.53 H new ATOM 0 HB3 TYR A 95 6.543 -2.533 -4.997 1.00 42.53 H new ATOM 0 HD1 TYR A 95 6.229 -0.151 -6.008 1.00 32.12 H new ATOM 0 HD2 TYR A 95 3.498 -1.919 -3.257 1.00 42.40 H new ATOM 0 HE1 TYR A 95 5.339 2.142 -5.408 1.00 52.14 H new ATOM 0 HE2 TYR A 95 2.616 0.382 -2.667 1.00 23.54 H new ATOM 0 HH TYR A 95 3.550 3.177 -4.472 1.00 51.50 H new ATOM 1616 N GLN A 96 6.264 -2.268 -8.293 1.00 41.34 N ATOM 1617 CA GLN A 96 6.642 -1.334 -9.340 1.00 40.14 C ATOM 1618 C GLN A 96 6.034 -1.763 -10.678 1.00 73.33 C ATOM 1619 O GLN A 96 6.084 -1.015 -11.654 1.00 35.05 O ATOM 1620 CB GLN A 96 8.163 -1.212 -9.443 1.00 62.44 C ATOM 1621 CG GLN A 96 8.583 -0.755 -10.842 1.00 73.05 C ATOM 1622 CD GLN A 96 8.021 0.632 -11.156 1.00 52.22 C ATOM 1623 OE1 GLN A 96 7.462 1.311 -10.310 1.00 22.34 O ATOM 1624 NE2 GLN A 96 8.203 1.017 -12.416 1.00 34.13 N ATOM 0 H GLN A 96 6.805 -3.133 -8.277 1.00 41.34 H new ATOM 0 HA GLN A 96 6.249 -0.351 -9.083 1.00 40.14 H new ATOM 0 HB2 GLN A 96 8.526 -0.501 -8.700 1.00 62.44 H new ATOM 0 HB3 GLN A 96 8.625 -2.173 -9.217 1.00 62.44 H new ATOM 0 HG2 GLN A 96 9.671 -0.735 -10.911 1.00 73.05 H new ATOM 0 HG3 GLN A 96 8.230 -1.471 -11.584 1.00 73.05 H new ATOM 0 HE21 GLN A 96 8.679 0.400 -13.074 1.00 34.13 H new ATOM 0 HE22 GLN A 96 7.866 1.929 -12.724 1.00 34.13 H new ATOM 1633 N GLU A 97 5.475 -2.963 -10.680 1.00 32.44 N ATOM 1634 CA GLU A 97 4.858 -3.499 -11.882 1.00 2.21 C ATOM 1635 C GLU A 97 3.366 -3.745 -11.649 1.00 41.50 C ATOM 1636 O GLU A 97 2.623 -4.012 -12.592 1.00 31.31 O ATOM 1637 CB GLU A 97 5.562 -4.781 -12.334 1.00 65.22 C ATOM 1638 CG GLU A 97 4.921 -6.013 -11.691 1.00 55.53 C ATOM 1639 CD GLU A 97 5.667 -7.289 -12.089 1.00 44.43 C ATOM 1640 OE1 GLU A 97 6.904 -7.331 -12.017 1.00 63.43 O ATOM 1641 OE2 GLU A 97 4.913 -8.259 -12.485 1.00 70.13 O ATOM 0 H GLU A 97 5.436 -3.580 -9.869 1.00 32.44 H new ATOM 0 HA GLU A 97 4.964 -2.764 -12.680 1.00 2.21 H new ATOM 0 HB2 GLU A 97 5.511 -4.865 -13.420 1.00 65.22 H new ATOM 0 HB3 GLU A 97 6.618 -4.734 -12.067 1.00 65.22 H new ATOM 0 HG2 GLU A 97 4.928 -5.907 -10.606 1.00 55.53 H new ATOM 0 HG3 GLU A 97 3.878 -6.087 -11.998 1.00 55.53 H new ATOM 1649 N HIS A 98 2.973 -3.646 -10.388 1.00 3.52 N ATOM 1650 CA HIS A 98 1.583 -3.855 -10.019 1.00 21.22 C ATOM 1651 C HIS A 98 1.071 -2.643 -9.236 1.00 61.24 C ATOM 1652 O HIS A 98 0.044 -2.721 -8.568 1.00 1.42 O ATOM 1653 CB HIS A 98 1.416 -5.168 -9.253 1.00 32.21 C ATOM 1654 CG HIS A 98 1.817 -6.394 -10.040 1.00 32.35 C ATOM 1655 ND1 HIS A 98 1.585 -6.522 -11.397 1.00 41.32 N ATOM 1656 CD2 HIS A 98 2.438 -7.542 -9.645 1.00 62.03 C ATOM 1657 CE1 HIS A 98 2.049 -7.699 -11.792 1.00 52.14 C ATOM 1658 NE2 HIS A 98 2.577 -8.330 -10.704 1.00 24.24 N ATOM 0 H HIS A 98 3.593 -3.424 -9.609 1.00 3.52 H new ATOM 0 HA HIS A 98 0.975 -3.946 -10.919 1.00 21.22 H new ATOM 0 HB2 HIS A 98 2.012 -5.123 -8.341 1.00 32.21 H new ATOM 0 HB3 HIS A 98 0.374 -5.269 -8.948 1.00 32.21 H new ATOM 0 HD2 HIS A 98 2.762 -7.771 -8.641 1.00 62.03 H new ATOM 0 HE1 HIS A 98 2.015 -8.090 -12.798 1.00 52.14 H new ATOM 0 HE2 HIS A 98 3.008 -9.255 -10.704 1.00 24.24 H new ATOM 1667 N LYS A 99 1.815 -1.552 -9.348 1.00 12.51 N ATOM 1668 CA LYS A 99 1.451 -0.326 -8.659 1.00 13.43 C ATOM 1669 C LYS A 99 0.040 0.091 -9.079 1.00 32.40 C ATOM 1670 O LYS A 99 -0.437 -0.303 -10.143 1.00 3.15 O ATOM 1671 CB LYS A 99 2.506 0.757 -8.897 1.00 4.34 C ATOM 1672 CG LYS A 99 2.607 1.105 -10.383 1.00 4.14 C ATOM 1673 CD LYS A 99 2.171 2.550 -10.638 1.00 12.25 C ATOM 1674 CE LYS A 99 2.071 2.836 -12.139 1.00 60.42 C ATOM 1675 NZ LYS A 99 0.886 3.672 -12.428 1.00 53.51 N ATOM 0 H LYS A 99 2.667 -1.492 -9.905 1.00 12.51 H new ATOM 0 HA LYS A 99 1.430 -0.488 -7.581 1.00 13.43 H new ATOM 0 HB2 LYS A 99 2.251 1.650 -8.327 1.00 4.34 H new ATOM 0 HB3 LYS A 99 3.474 0.413 -8.534 1.00 4.34 H new ATOM 0 HG2 LYS A 99 3.633 0.965 -10.724 1.00 4.14 H new ATOM 0 HG3 LYS A 99 1.983 0.425 -10.963 1.00 4.14 H new ATOM 0 HD2 LYS A 99 1.206 2.731 -10.164 1.00 12.25 H new ATOM 0 HD3 LYS A 99 2.885 3.235 -10.180 1.00 12.25 H new ATOM 0 HE2 LYS A 99 2.973 3.344 -12.480 1.00 60.42 H new ATOM 0 HE3 LYS A 99 2.005 1.898 -12.691 1.00 60.42 H new ATOM 0 HZ1 LYS A 99 0.833 3.857 -13.450 1.00 53.51 H new ATOM 0 HZ2 LYS A 99 0.026 3.174 -12.121 1.00 53.51 H new ATOM 0 HZ3 LYS A 99 0.965 4.574 -11.917 1.00 53.51 H new ATOM 1689 N ASP A 100 -0.591 0.878 -8.220 1.00 41.20 N ATOM 1690 CA ASP A 100 -1.939 1.351 -8.488 1.00 31.41 C ATOM 1691 C ASP A 100 -1.973 2.875 -8.367 1.00 24.34 C ATOM 1692 O ASP A 100 -0.987 3.493 -7.971 1.00 10.10 O ATOM 1693 CB ASP A 100 -2.935 0.773 -7.482 1.00 64.51 C ATOM 1694 CG ASP A 100 -3.821 -0.352 -8.021 1.00 34.41 C ATOM 1695 OD1 ASP A 100 -5.028 -0.165 -8.241 1.00 4.35 O ATOM 1696 OD2 ASP A 100 -3.217 -1.474 -8.219 1.00 2.43 O ATOM 0 H ASP A 100 -0.194 1.200 -7.338 1.00 41.20 H new ATOM 0 HA ASP A 100 -2.216 1.031 -9.493 1.00 31.41 H new ATOM 0 HB2 ASP A 100 -2.382 0.398 -6.621 1.00 64.51 H new ATOM 0 HB3 ASP A 100 -3.575 1.579 -7.124 1.00 64.51 H new ATOM 1702 N LYS A 101 -3.121 3.438 -8.715 1.00 74.24 N ATOM 1703 CA LYS A 101 -3.297 4.879 -8.650 1.00 45.13 C ATOM 1704 C LYS A 101 -3.100 5.349 -7.207 1.00 14.41 C ATOM 1705 O LYS A 101 -2.641 6.465 -6.971 1.00 44.44 O ATOM 1706 CB LYS A 101 -4.648 5.282 -9.249 1.00 61.03 C ATOM 1707 CG LYS A 101 -4.680 5.015 -10.754 1.00 1.14 C ATOM 1708 CD LYS A 101 -4.017 6.155 -11.528 1.00 13.14 C ATOM 1709 CE LYS A 101 -4.962 7.350 -11.664 1.00 51.00 C ATOM 1710 NZ LYS A 101 -4.501 8.257 -12.738 1.00 33.55 N ATOM 0 H LYS A 101 -3.938 2.923 -9.043 1.00 74.24 H new ATOM 0 HA LYS A 101 -2.543 5.382 -9.255 1.00 45.13 H new ATOM 0 HB2 LYS A 101 -5.447 4.725 -8.760 1.00 61.03 H new ATOM 0 HB3 LYS A 101 -4.833 6.339 -9.059 1.00 61.03 H new ATOM 0 HG2 LYS A 101 -4.168 4.077 -10.971 1.00 1.14 H new ATOM 0 HG3 LYS A 101 -5.712 4.899 -11.084 1.00 1.14 H new ATOM 0 HD2 LYS A 101 -3.106 6.464 -11.016 1.00 13.14 H new ATOM 0 HD3 LYS A 101 -3.724 5.805 -12.518 1.00 13.14 H new ATOM 0 HE2 LYS A 101 -5.971 7.000 -11.884 1.00 51.00 H new ATOM 0 HE3 LYS A 101 -5.011 7.891 -10.719 1.00 51.00 H new ATOM 0 HZ1 LYS A 101 -5.154 9.062 -12.816 1.00 33.55 H new ATOM 0 HZ2 LYS A 101 -3.547 8.605 -12.513 1.00 33.55 H new ATOM 0 HZ3 LYS A 101 -4.477 7.742 -13.641 1.00 33.55 H new ATOM 1724 N ASP A 102 -3.457 4.472 -6.281 1.00 24.54 N ATOM 1725 CA ASP A 102 -3.324 4.782 -4.866 1.00 44.11 C ATOM 1726 C ASP A 102 -1.895 4.477 -4.414 1.00 52.35 C ATOM 1727 O ASP A 102 -1.473 4.912 -3.343 1.00 42.15 O ATOM 1728 CB ASP A 102 -4.279 3.934 -4.025 1.00 5.45 C ATOM 1729 CG ASP A 102 -4.454 2.491 -4.503 1.00 13.43 C ATOM 1730 OD1 ASP A 102 -5.423 2.163 -5.205 1.00 41.40 O ATOM 1731 OD2 ASP A 102 -3.533 1.674 -4.120 1.00 40.41 O ATOM 0 H ASP A 102 -3.838 3.547 -6.481 1.00 24.54 H new ATOM 0 HA ASP A 102 -3.562 5.837 -4.727 1.00 44.11 H new ATOM 0 HB2 ASP A 102 -3.918 3.919 -2.997 1.00 5.45 H new ATOM 0 HB3 ASP A 102 -5.256 4.418 -4.013 1.00 5.45 H new ATOM 1737 N GLY A 103 -1.190 3.728 -5.250 1.00 12.34 N ATOM 1738 CA GLY A 103 0.182 3.359 -4.949 1.00 1.51 C ATOM 1739 C GLY A 103 0.235 2.071 -4.126 1.00 42.14 C ATOM 1740 O GLY A 103 1.103 1.227 -4.343 1.00 30.21 O ATOM 0 H GLY A 103 -1.544 3.367 -6.136 1.00 12.34 H new ATOM 0 HA2 GLY A 103 0.738 3.225 -5.877 1.00 1.51 H new ATOM 0 HA3 GLY A 103 0.667 4.166 -4.400 1.00 1.51 H new ATOM 1744 N PHE A 104 -0.704 1.960 -3.198 1.00 53.45 N ATOM 1745 CA PHE A 104 -0.775 0.787 -2.342 1.00 12.24 C ATOM 1746 C PHE A 104 -0.969 -0.485 -3.170 1.00 72.13 C ATOM 1747 O PHE A 104 -1.945 -0.609 -3.907 1.00 71.15 O ATOM 1748 CB PHE A 104 -1.988 0.975 -1.428 1.00 72.42 C ATOM 1749 CG PHE A 104 -1.673 1.708 -0.121 1.00 64.25 C ATOM 1750 CD1 PHE A 104 -0.990 1.072 0.869 1.00 73.23 C ATOM 1751 CD2 PHE A 104 -2.078 2.994 0.051 1.00 30.24 C ATOM 1752 CE1 PHE A 104 -0.699 1.752 2.079 1.00 34.41 C ATOM 1753 CE2 PHE A 104 -1.786 3.675 1.263 1.00 70.41 C ATOM 1754 CZ PHE A 104 -1.103 3.039 2.252 1.00 62.30 C ATOM 0 H PHE A 104 -1.422 2.662 -3.020 1.00 53.45 H new ATOM 0 HA PHE A 104 0.150 0.682 -1.776 1.00 12.24 H new ATOM 0 HB2 PHE A 104 -2.755 1.530 -1.968 1.00 72.42 H new ATOM 0 HB3 PHE A 104 -2.408 -0.003 -1.192 1.00 72.42 H new ATOM 0 HD1 PHE A 104 -0.670 0.050 0.733 1.00 73.23 H new ATOM 0 HD2 PHE A 104 -2.622 3.498 -0.734 1.00 30.24 H new ATOM 0 HE1 PHE A 104 -0.156 1.247 2.864 1.00 34.41 H new ATOM 0 HE2 PHE A 104 -2.106 4.697 1.399 1.00 70.41 H new ATOM 0 HZ PHE A 104 -0.882 3.556 3.174 1.00 62.30 H new ATOM 1764 N LEU A 105 -0.021 -1.399 -3.020 1.00 64.23 N ATOM 1765 CA LEU A 105 -0.074 -2.658 -3.743 1.00 0.04 C ATOM 1766 C LEU A 105 -1.273 -3.472 -3.255 1.00 11.52 C ATOM 1767 O LEU A 105 -1.634 -3.408 -2.080 1.00 74.42 O ATOM 1768 CB LEU A 105 1.260 -3.398 -3.629 1.00 42.33 C ATOM 1769 CG LEU A 105 2.129 -3.412 -4.888 1.00 21.41 C ATOM 1770 CD1 LEU A 105 1.825 -4.636 -5.753 1.00 42.30 C ATOM 1771 CD2 LEU A 105 1.982 -2.105 -5.670 1.00 71.12 C ATOM 0 H LEU A 105 0.788 -1.292 -2.408 1.00 64.23 H new ATOM 0 HA LEU A 105 -0.223 -2.479 -4.808 1.00 0.04 H new ATOM 0 HB2 LEU A 105 1.835 -2.947 -2.820 1.00 42.33 H new ATOM 0 HB3 LEU A 105 1.057 -4.429 -3.340 1.00 42.33 H new ATOM 0 HG LEU A 105 3.172 -3.488 -4.581 1.00 21.41 H new ATOM 0 HD11 LEU A 105 2.457 -4.620 -6.641 1.00 42.30 H new ATOM 0 HD12 LEU A 105 2.024 -5.543 -5.182 1.00 42.30 H new ATOM 0 HD13 LEU A 105 0.777 -4.618 -6.053 1.00 42.30 H new ATOM 0 HD21 LEU A 105 2.610 -2.141 -6.560 1.00 71.12 H new ATOM 0 HD22 LEU A 105 0.941 -1.973 -5.965 1.00 71.12 H new ATOM 0 HD23 LEU A 105 2.290 -1.269 -5.042 1.00 71.12 H new ATOM 1783 N TYR A 106 -1.858 -4.218 -4.181 1.00 53.40 N ATOM 1784 CA TYR A 106 -3.010 -5.043 -3.858 1.00 42.31 C ATOM 1785 C TYR A 106 -2.743 -6.512 -4.197 1.00 52.24 C ATOM 1786 O TYR A 106 -3.041 -6.961 -5.302 1.00 34.34 O ATOM 1787 CB TYR A 106 -4.155 -4.531 -4.734 1.00 64.40 C ATOM 1788 CG TYR A 106 -4.671 -3.147 -4.333 1.00 62.10 C ATOM 1789 CD1 TYR A 106 -5.457 -3.003 -3.207 1.00 34.43 C ATOM 1790 CD2 TYR A 106 -4.354 -2.043 -5.099 1.00 44.43 C ATOM 1791 CE1 TYR A 106 -5.943 -1.700 -2.831 1.00 3.33 C ATOM 1792 CE2 TYR A 106 -4.839 -0.742 -4.722 1.00 41.03 C ATOM 1793 CZ TYR A 106 -5.610 -0.633 -3.607 1.00 45.15 C ATOM 1794 OH TYR A 106 -6.069 0.596 -3.252 1.00 44.34 O ATOM 0 H TYR A 106 -1.556 -4.268 -5.154 1.00 53.40 H new ATOM 0 HA TYR A 106 -3.239 -4.983 -2.794 1.00 42.31 H new ATOM 0 HB2 TYR A 106 -3.819 -4.497 -5.770 1.00 64.40 H new ATOM 0 HB3 TYR A 106 -4.980 -5.242 -4.690 1.00 64.40 H new ATOM 0 HD1 TYR A 106 -5.707 -3.867 -2.609 1.00 34.43 H new ATOM 0 HD2 TYR A 106 -3.742 -2.156 -5.981 1.00 44.43 H new ATOM 0 HE1 TYR A 106 -6.558 -1.573 -1.952 1.00 3.33 H new ATOM 0 HE2 TYR A 106 -4.596 0.129 -5.312 1.00 41.03 H new ATOM 0 HH TYR A 106 -6.339 1.089 -4.055 1.00 44.34 H new ATOM 1804 N VAL A 107 -2.187 -7.219 -3.225 1.00 22.34 N ATOM 1805 CA VAL A 107 -1.877 -8.627 -3.406 1.00 40.22 C ATOM 1806 C VAL A 107 -3.028 -9.472 -2.858 1.00 71.32 C ATOM 1807 O VAL A 107 -3.910 -8.958 -2.174 1.00 62.14 O ATOM 1808 CB VAL A 107 -0.532 -8.955 -2.755 1.00 15.44 C ATOM 1809 CG1 VAL A 107 -0.489 -8.460 -1.307 1.00 53.13 C ATOM 1810 CG2 VAL A 107 -0.237 -10.454 -2.831 1.00 51.41 C ATOM 0 H VAL A 107 -1.943 -6.843 -2.309 1.00 22.34 H new ATOM 0 HA VAL A 107 -1.776 -8.863 -4.465 1.00 40.22 H new ATOM 0 HB VAL A 107 0.246 -8.432 -3.311 1.00 15.44 H new ATOM 0 HG11 VAL A 107 0.478 -8.706 -0.867 1.00 53.13 H new ATOM 0 HG12 VAL A 107 -0.633 -7.380 -1.287 1.00 53.13 H new ATOM 0 HG13 VAL A 107 -1.281 -8.942 -0.734 1.00 53.13 H new ATOM 0 HG21 VAL A 107 0.725 -10.660 -2.361 1.00 51.41 H new ATOM 0 HG22 VAL A 107 -1.020 -11.006 -2.311 1.00 51.41 H new ATOM 0 HG23 VAL A 107 -0.205 -10.766 -3.875 1.00 51.41 H new ATOM 1820 N THR A 108 -2.982 -10.757 -3.181 1.00 21.14 N ATOM 1821 CA THR A 108 -4.011 -11.678 -2.730 1.00 55.41 C ATOM 1822 C THR A 108 -3.449 -13.096 -2.628 1.00 62.50 C ATOM 1823 O THR A 108 -2.872 -13.611 -3.587 1.00 11.44 O ATOM 1824 CB THR A 108 -5.201 -11.564 -3.684 1.00 74.21 C ATOM 1825 OG1 THR A 108 -5.077 -10.256 -4.239 1.00 40.54 O ATOM 1826 CG2 THR A 108 -6.542 -11.531 -2.949 1.00 22.42 C ATOM 0 H THR A 108 -2.249 -11.181 -3.749 1.00 21.14 H new ATOM 0 HA THR A 108 -4.355 -11.425 -1.727 1.00 55.41 H new ATOM 0 HB THR A 108 -5.190 -12.404 -4.379 1.00 74.21 H new ATOM 0 HG1 THR A 108 -5.809 -10.098 -4.871 1.00 40.54 H new ATOM 0 HG21 THR A 108 -7.352 -11.449 -3.674 1.00 22.42 H new ATOM 0 HG22 THR A 108 -6.663 -12.447 -2.371 1.00 22.42 H new ATOM 0 HG23 THR A 108 -6.568 -10.673 -2.278 1.00 22.42 H new ATOM 1834 N TYR A 109 -3.633 -13.691 -1.457 1.00 43.11 N ATOM 1835 CA TYR A 109 -3.152 -15.040 -1.219 1.00 32.00 C ATOM 1836 C TYR A 109 -4.317 -16.017 -1.051 1.00 31.13 C ATOM 1837 O TYR A 109 -5.311 -15.698 -0.400 1.00 1.41 O ATOM 1838 CB TYR A 109 -2.361 -14.979 0.090 1.00 63.54 C ATOM 1839 CG TYR A 109 -3.215 -14.663 1.320 1.00 53.43 C ATOM 1840 CD1 TYR A 109 -3.555 -13.356 1.606 1.00 21.34 C ATOM 1841 CD2 TYR A 109 -3.646 -15.685 2.141 1.00 61.31 C ATOM 1842 CE1 TYR A 109 -4.359 -13.059 2.763 1.00 12.40 C ATOM 1843 CE2 TYR A 109 -4.450 -15.387 3.298 1.00 51.34 C ATOM 1844 CZ TYR A 109 -4.766 -14.089 3.551 1.00 12.31 C ATOM 1845 OH TYR A 109 -5.525 -13.808 4.644 1.00 35.34 O ATOM 0 H TYR A 109 -4.109 -13.262 -0.663 1.00 43.11 H new ATOM 0 HA TYR A 109 -2.549 -15.386 -2.058 1.00 32.00 H new ATOM 0 HB2 TYR A 109 -1.860 -15.935 0.244 1.00 63.54 H new ATOM 0 HB3 TYR A 109 -1.582 -14.222 -0.003 1.00 63.54 H new ATOM 0 HD1 TYR A 109 -3.218 -12.557 0.962 1.00 21.34 H new ATOM 0 HD2 TYR A 109 -3.381 -16.707 1.916 1.00 61.31 H new ATOM 0 HE1 TYR A 109 -4.632 -12.041 2.999 1.00 12.40 H new ATOM 0 HE2 TYR A 109 -4.794 -16.176 3.950 1.00 51.34 H new ATOM 0 HH TYR A 109 -5.744 -14.640 5.113 1.00 35.34 H new ATOM 1855 N SER A 110 -4.156 -17.189 -1.651 1.00 65.21 N ATOM 1856 CA SER A 110 -5.183 -18.214 -1.576 1.00 13.24 C ATOM 1857 C SER A 110 -4.567 -19.539 -1.122 1.00 41.23 C ATOM 1858 O SER A 110 -3.351 -19.715 -1.183 1.00 40.25 O ATOM 1859 CB SER A 110 -5.885 -18.389 -2.922 1.00 42.53 C ATOM 1860 OG SER A 110 -5.396 -19.520 -3.638 1.00 73.50 O ATOM 0 H SER A 110 -3.331 -17.450 -2.190 1.00 65.21 H new ATOM 0 HA SER A 110 -5.929 -17.898 -0.847 1.00 13.24 H new ATOM 0 HB2 SER A 110 -6.957 -18.499 -2.760 1.00 42.53 H new ATOM 0 HB3 SER A 110 -5.744 -17.491 -3.523 1.00 42.53 H new ATOM 0 HG SER A 110 -4.419 -19.472 -3.698 1.00 73.50 H new ATOM 1866 N GLY A 111 -5.433 -20.438 -0.680 1.00 54.34 N ATOM 1867 CA GLY A 111 -4.990 -21.741 -0.217 1.00 10.15 C ATOM 1868 C GLY A 111 -4.583 -22.632 -1.393 1.00 11.13 C ATOM 1869 O GLY A 111 -3.698 -23.475 -1.261 1.00 34.05 O ATOM 0 H GLY A 111 -6.441 -20.289 -0.633 1.00 54.34 H new ATOM 0 HA2 GLY A 111 -4.146 -21.622 0.463 1.00 10.15 H new ATOM 0 HA3 GLY A 111 -5.789 -22.221 0.348 1.00 10.15 H new ATOM 1873 N GLU A 112 -5.251 -22.414 -2.516 1.00 51.04 N ATOM 1874 CA GLU A 112 -4.972 -23.186 -3.714 1.00 65.25 C ATOM 1875 C GLU A 112 -4.024 -22.414 -4.635 1.00 62.14 C ATOM 1876 O GLU A 112 -3.653 -21.280 -4.338 1.00 15.24 O ATOM 1877 CB GLU A 112 -6.265 -23.555 -4.444 1.00 35.22 C ATOM 1878 CG GLU A 112 -7.189 -22.342 -4.566 1.00 43.23 C ATOM 1879 CD GLU A 112 -8.162 -22.272 -3.387 1.00 13.11 C ATOM 1880 OE1 GLU A 112 -7.733 -22.088 -2.239 1.00 1.43 O ATOM 1881 OE2 GLU A 112 -9.406 -22.418 -3.697 1.00 41.42 O ATOM 0 H GLU A 112 -5.985 -21.713 -2.621 1.00 51.04 H new ATOM 0 HA GLU A 112 -4.484 -24.114 -3.417 1.00 65.25 H new ATOM 0 HB2 GLU A 112 -6.030 -23.939 -5.437 1.00 35.22 H new ATOM 0 HB3 GLU A 112 -6.776 -24.354 -3.906 1.00 35.22 H new ATOM 0 HG2 GLU A 112 -6.594 -21.430 -4.605 1.00 43.23 H new ATOM 0 HG3 GLU A 112 -7.748 -22.399 -5.500 1.00 43.23 H new ATOM 1889 N ASN A 113 -3.662 -23.059 -5.733 1.00 71.13 N ATOM 1890 CA ASN A 113 -2.765 -22.446 -6.699 1.00 34.31 C ATOM 1891 C ASN A 113 -3.528 -22.176 -7.998 1.00 20.23 C ATOM 1892 O ASN A 113 -2.939 -22.166 -9.077 1.00 34.14 O ATOM 1893 CB ASN A 113 -1.592 -23.372 -7.026 1.00 45.03 C ATOM 1894 CG ASN A 113 -0.528 -22.642 -7.848 1.00 12.10 C ATOM 1895 OD1 ASN A 113 0.113 -21.708 -7.393 1.00 30.35 O ATOM 1896 ND2 ASN A 113 -0.378 -23.116 -9.081 1.00 31.33 N ATOM 0 H ASN A 113 -3.973 -24.000 -5.976 1.00 71.13 H new ATOM 0 HA ASN A 113 -2.386 -21.521 -6.266 1.00 34.31 H new ATOM 0 HB2 ASN A 113 -1.150 -23.745 -6.102 1.00 45.03 H new ATOM 0 HB3 ASN A 113 -1.952 -24.239 -7.579 1.00 45.03 H new ATOM 0 HD21 ASN A 113 0.306 -22.695 -9.709 1.00 31.33 H new ATOM 0 HD22 ASN A 113 -0.947 -23.901 -9.398 1.00 31.33 H new ATOM 1903 N THR A 114 -4.827 -21.962 -7.850 1.00 2.32 N ATOM 1904 CA THR A 114 -5.676 -21.691 -8.997 1.00 50.23 C ATOM 1905 C THR A 114 -6.896 -20.867 -8.575 1.00 72.55 C ATOM 1906 O THR A 114 -7.027 -20.501 -7.409 1.00 12.33 O ATOM 1907 CB THR A 114 -6.043 -23.030 -9.640 1.00 73.22 C ATOM 1908 OG1 THR A 114 -4.836 -23.787 -9.577 1.00 70.52 O ATOM 1909 CG2 THR A 114 -6.324 -22.903 -11.139 1.00 53.33 C ATOM 0 H THR A 114 -5.312 -21.971 -6.953 1.00 2.32 H new ATOM 0 HA THR A 114 -5.155 -21.087 -9.740 1.00 50.23 H new ATOM 0 HB THR A 114 -6.919 -23.445 -9.140 1.00 73.22 H new ATOM 0 HG1 THR A 114 -4.984 -24.672 -9.972 1.00 70.52 H new ATOM 0 HG21 THR A 114 -6.579 -23.882 -11.546 1.00 53.33 H new ATOM 0 HG22 THR A 114 -7.156 -22.216 -11.296 1.00 53.33 H new ATOM 0 HG23 THR A 114 -5.437 -22.520 -11.644 1.00 53.33 H new ATOM 1917 N PHE A 115 -7.754 -20.601 -9.547 1.00 31.21 N ATOM 1918 CA PHE A 115 -8.956 -19.827 -9.293 1.00 74.33 C ATOM 1919 C PHE A 115 -10.212 -20.643 -9.609 1.00 52.11 C ATOM 1920 O PHE A 115 -10.629 -20.725 -10.762 1.00 2.34 O ATOM 1921 CB PHE A 115 -8.909 -18.608 -10.218 1.00 71.32 C ATOM 1922 CG PHE A 115 -8.252 -18.881 -11.573 1.00 35.32 C ATOM 1923 CD1 PHE A 115 -6.898 -18.866 -11.687 1.00 71.13 C ATOM 1924 CD2 PHE A 115 -9.024 -19.139 -12.662 1.00 42.14 C ATOM 1925 CE1 PHE A 115 -6.289 -19.118 -12.945 1.00 73.42 C ATOM 1926 CE2 PHE A 115 -8.415 -19.392 -13.920 1.00 70.23 C ATOM 1927 CZ PHE A 115 -7.061 -19.378 -14.035 1.00 24.02 C ATOM 0 H PHE A 115 -7.641 -20.908 -10.513 1.00 31.21 H new ATOM 0 HA PHE A 115 -8.997 -19.539 -8.242 1.00 74.33 H new ATOM 0 HB2 PHE A 115 -9.925 -18.251 -10.384 1.00 71.32 H new ATOM 0 HB3 PHE A 115 -8.367 -17.806 -9.718 1.00 71.32 H new ATOM 0 HD1 PHE A 115 -6.285 -18.663 -10.821 1.00 71.13 H new ATOM 0 HD2 PHE A 115 -10.100 -19.152 -12.571 1.00 42.14 H new ATOM 0 HE1 PHE A 115 -5.213 -19.103 -13.037 1.00 73.42 H new ATOM 0 HE2 PHE A 115 -9.028 -19.596 -14.785 1.00 70.23 H new ATOM 0 HZ PHE A 115 -6.598 -19.573 -14.991 1.00 24.02 H new ATOM 1937 N GLY A 116 -10.778 -21.224 -8.562 1.00 41.22 N ATOM 1938 CA GLY A 116 -11.978 -22.032 -8.712 1.00 63.52 C ATOM 1939 C GLY A 116 -12.403 -22.636 -7.373 1.00 53.54 C ATOM 1940 O GLY A 116 -13.556 -23.035 -7.207 1.00 21.00 O ATOM 0 H GLY A 116 -10.429 -21.152 -7.606 1.00 41.22 H new ATOM 0 HA2 GLY A 116 -12.786 -21.419 -9.111 1.00 63.52 H new ATOM 0 HA3 GLY A 116 -11.796 -22.829 -9.433 1.00 63.52 H new TER 1944 GLY A 116 ATOM 1945 N GLY B 597 -29.804 -17.559 -0.796 1.00 75.34 N ATOM 1946 CA GLY B 597 -29.695 -16.264 -0.147 1.00 34.21 C ATOM 1947 C GLY B 597 -29.839 -15.129 -1.163 1.00 23.30 C ATOM 1948 O GLY B 597 -29.672 -15.340 -2.364 1.00 40.31 O ATOM 0 HA2 GLY B 597 -30.465 -16.171 0.619 1.00 34.21 H new ATOM 0 HA3 GLY B 597 -28.732 -16.186 0.357 1.00 34.21 H new ATOM 1952 N PRO B 598 -30.155 -13.919 -0.631 1.00 62.55 N ATOM 1953 CA PRO B 598 -30.324 -12.749 -1.478 1.00 62.45 C ATOM 1954 C PRO B 598 -28.970 -12.221 -1.959 1.00 14.31 C ATOM 1955 O PRO B 598 -28.047 -12.050 -1.164 1.00 53.31 O ATOM 1956 CB PRO B 598 -31.079 -11.747 -0.619 1.00 22.45 C ATOM 1957 CG PRO B 598 -30.899 -12.210 0.818 1.00 50.22 C ATOM 1958 CD PRO B 598 -30.361 -13.630 0.786 1.00 31.51 C ATOM 0 HA PRO B 598 -30.877 -12.968 -2.392 1.00 62.45 H new ATOM 0 HB2 PRO B 598 -30.686 -10.740 -0.757 1.00 22.45 H new ATOM 0 HB3 PRO B 598 -32.134 -11.717 -0.890 1.00 22.45 H new ATOM 0 HG2 PRO B 598 -30.209 -11.552 1.347 1.00 50.22 H new ATOM 0 HG3 PRO B 598 -31.848 -12.173 1.353 1.00 50.22 H new ATOM 0 HD2 PRO B 598 -29.430 -13.713 1.346 1.00 31.51 H new ATOM 0 HD3 PRO B 598 -31.066 -14.330 1.234 1.00 31.51 H new ATOM 1966 N HIS B 599 -28.895 -11.979 -3.259 1.00 20.43 N ATOM 1967 CA HIS B 599 -27.670 -11.476 -3.858 1.00 24.33 C ATOM 1968 C HIS B 599 -27.726 -9.949 -3.933 1.00 13.23 C ATOM 1969 O HIS B 599 -28.709 -9.382 -4.407 1.00 43.53 O ATOM 1970 CB HIS B 599 -27.422 -12.128 -5.219 1.00 5.22 C ATOM 1971 CG HIS B 599 -26.098 -11.760 -5.844 1.00 61.33 C ATOM 1972 ND1 HIS B 599 -25.946 -11.535 -7.202 1.00 2.12 N ATOM 1973 CD2 HIS B 599 -24.867 -11.579 -5.284 1.00 14.25 C ATOM 1974 CE1 HIS B 599 -24.677 -11.233 -7.436 1.00 22.11 C ATOM 1975 NE2 HIS B 599 -24.011 -11.262 -6.247 1.00 14.21 N ATOM 0 H HIS B 599 -29.663 -12.122 -3.915 1.00 20.43 H new ATOM 0 HA HIS B 599 -26.818 -11.744 -3.233 1.00 24.33 H new ATOM 0 HB2 HIS B 599 -27.470 -13.211 -5.106 1.00 5.22 H new ATOM 0 HB3 HIS B 599 -28.225 -11.843 -5.899 1.00 5.22 H new ATOM 0 HD2 HIS B 599 -24.630 -11.677 -4.235 1.00 14.25 H new ATOM 0 HE1 HIS B 599 -24.246 -11.004 -8.400 1.00 22.11 H new ATOM 0 HE2 HIS B 599 -23.017 -11.071 -6.119 1.00 14.21 H new ATOM 1984 N MET B 600 -26.658 -9.325 -3.457 1.00 35.21 N ATOM 1985 CA MET B 600 -26.573 -7.875 -3.464 1.00 63.23 C ATOM 1986 C MET B 600 -26.443 -7.340 -4.893 1.00 12.44 C ATOM 1987 O MET B 600 -25.489 -7.665 -5.595 1.00 13.20 O ATOM 1988 CB MET B 600 -25.363 -7.430 -2.640 1.00 40.24 C ATOM 1989 CG MET B 600 -24.055 -7.851 -3.315 1.00 42.43 C ATOM 1990 SD MET B 600 -22.796 -8.133 -2.082 1.00 51.21 S ATOM 1991 CE MET B 600 -21.785 -9.328 -2.940 1.00 71.31 C ATOM 0 H MET B 600 -25.844 -9.798 -3.064 1.00 35.21 H new ATOM 0 HA MET B 600 -27.488 -7.474 -3.028 1.00 63.23 H new ATOM 0 HB2 MET B 600 -25.381 -6.347 -2.517 1.00 40.24 H new ATOM 0 HB3 MET B 600 -25.418 -7.865 -1.642 1.00 40.24 H new ATOM 0 HG2 MET B 600 -24.213 -8.757 -3.899 1.00 42.43 H new ATOM 0 HG3 MET B 600 -23.729 -7.077 -4.009 1.00 42.43 H new ATOM 0 HE1 MET B 600 -20.945 -9.615 -2.307 1.00 71.31 H new ATOM 0 HE2 MET B 600 -22.382 -10.210 -3.173 1.00 71.31 H new ATOM 0 HE3 MET B 600 -21.409 -8.890 -3.865 1.00 71.31 H new ATOM 2001 N ILE B 601 -27.418 -6.530 -5.278 1.00 63.02 N ATOM 2002 CA ILE B 601 -27.425 -5.947 -6.609 1.00 4.30 C ATOM 2003 C ILE B 601 -26.014 -5.469 -6.958 1.00 60.31 C ATOM 2004 O ILE B 601 -25.345 -4.843 -6.138 1.00 72.44 O ATOM 2005 CB ILE B 601 -28.487 -4.852 -6.709 1.00 25.01 C ATOM 2006 CG1 ILE B 601 -28.819 -4.540 -8.169 1.00 55.25 C ATOM 2007 CG2 ILE B 601 -28.060 -3.601 -5.938 1.00 53.51 C ATOM 2008 CD1 ILE B 601 -29.573 -3.214 -8.291 1.00 12.21 C ATOM 0 H ILE B 601 -28.209 -6.264 -4.692 1.00 63.02 H new ATOM 0 HA ILE B 601 -27.702 -6.695 -7.351 1.00 4.30 H new ATOM 0 HB ILE B 601 -29.401 -5.221 -6.243 1.00 25.01 H new ATOM 0 HG12 ILE B 601 -27.899 -4.494 -8.753 1.00 55.25 H new ATOM 0 HG13 ILE B 601 -29.423 -5.345 -8.588 1.00 55.25 H new ATOM 0 HG21 ILE B 601 -28.833 -2.838 -6.026 1.00 53.51 H new ATOM 0 HG22 ILE B 601 -27.916 -3.853 -4.887 1.00 53.51 H new ATOM 0 HG23 ILE B 601 -27.126 -3.220 -6.351 1.00 53.51 H new ATOM 0 HD11 ILE B 601 -29.796 -3.017 -9.340 1.00 12.21 H new ATOM 0 HD12 ILE B 601 -30.504 -3.271 -7.727 1.00 12.21 H new ATOM 0 HD13 ILE B 601 -28.957 -2.407 -7.894 1.00 12.21 H new ATOM 2020 N SER B 602 -25.604 -5.781 -8.178 1.00 24.53 N ATOM 2021 CA SER B 602 -24.284 -5.392 -8.648 1.00 44.02 C ATOM 2022 C SER B 602 -24.412 -4.472 -9.863 1.00 51.34 C ATOM 2023 O SER B 602 -25.151 -4.773 -10.799 1.00 54.12 O ATOM 2024 CB SER B 602 -23.439 -6.618 -8.996 1.00 55.44 C ATOM 2025 OG SER B 602 -23.991 -7.355 -10.085 1.00 51.42 O ATOM 0 H SER B 602 -26.162 -6.299 -8.856 1.00 24.53 H new ATOM 0 HA SER B 602 -23.780 -4.855 -7.845 1.00 44.02 H new ATOM 0 HB2 SER B 602 -22.427 -6.301 -9.248 1.00 55.44 H new ATOM 0 HB3 SER B 602 -23.362 -7.265 -8.122 1.00 55.44 H new ATOM 0 HG SER B 602 -23.422 -8.129 -10.278 1.00 51.42 H new ATOM 2031 N GLY B 603 -23.680 -3.369 -9.809 1.00 22.21 N ATOM 2032 CA GLY B 603 -23.702 -2.402 -10.894 1.00 23.01 C ATOM 2033 C GLY B 603 -22.840 -1.184 -10.561 1.00 13.24 C ATOM 2034 O GLY B 603 -21.688 -1.326 -10.154 1.00 71.31 O ATOM 0 H GLY B 603 -23.068 -3.123 -9.031 1.00 22.21 H new ATOM 0 HA2 GLY B 603 -23.339 -2.869 -11.810 1.00 23.01 H new ATOM 0 HA3 GLY B 603 -24.728 -2.085 -11.083 1.00 23.01 H new ATOM 2038 N LEU B 604 -23.431 -0.013 -10.746 1.00 23.11 N ATOM 2039 CA LEU B 604 -22.730 1.231 -10.470 1.00 33.20 C ATOM 2040 C LEU B 604 -23.463 1.989 -9.363 1.00 61.43 C ATOM 2041 O LEU B 604 -24.665 2.235 -9.464 1.00 44.14 O ATOM 2042 CB LEU B 604 -22.550 2.042 -11.755 1.00 63.33 C ATOM 2043 CG LEU B 604 -23.712 2.960 -12.137 1.00 32.33 C ATOM 2044 CD1 LEU B 604 -23.244 4.079 -13.071 1.00 3.42 C ATOM 2045 CD2 LEU B 604 -24.869 2.161 -12.737 1.00 62.25 C ATOM 0 H LEU B 604 -24.387 0.102 -11.083 1.00 23.11 H new ATOM 0 HA LEU B 604 -21.723 1.028 -10.105 1.00 33.20 H new ATOM 0 HB2 LEU B 604 -21.651 2.650 -11.654 1.00 63.33 H new ATOM 0 HB3 LEU B 604 -22.376 1.348 -12.577 1.00 63.33 H new ATOM 0 HG LEU B 604 -24.085 3.433 -11.228 1.00 32.33 H new ATOM 0 HD11 LEU B 604 -24.090 4.717 -13.327 1.00 3.42 H new ATOM 0 HD12 LEU B 604 -22.479 4.674 -12.572 1.00 3.42 H new ATOM 0 HD13 LEU B 604 -22.829 3.644 -13.980 1.00 3.42 H new ATOM 0 HD21 LEU B 604 -25.681 2.839 -13.000 1.00 62.25 H new ATOM 0 HD22 LEU B 604 -24.527 1.641 -13.632 1.00 62.25 H new ATOM 0 HD23 LEU B 604 -25.225 1.433 -12.008 1.00 62.25 H new ATOM 2057 N SER B 605 -22.711 2.338 -8.330 1.00 60.21 N ATOM 2058 CA SER B 605 -23.275 3.064 -7.205 1.00 72.42 C ATOM 2059 C SER B 605 -22.154 3.674 -6.360 1.00 55.33 C ATOM 2060 O SER B 605 -20.997 3.269 -6.473 1.00 51.11 O ATOM 2061 CB SER B 605 -24.151 2.151 -6.344 1.00 73.05 C ATOM 2062 OG SER B 605 -23.554 0.873 -6.142 1.00 72.33 O ATOM 0 H SER B 605 -21.715 2.131 -8.248 1.00 60.21 H new ATOM 0 HA SER B 605 -23.904 3.864 -7.595 1.00 72.42 H new ATOM 0 HB2 SER B 605 -24.329 2.625 -5.379 1.00 73.05 H new ATOM 0 HB3 SER B 605 -25.123 2.026 -6.821 1.00 73.05 H new ATOM 0 HG SER B 605 -24.143 0.321 -5.587 1.00 72.33 H new ATOM 2068 N VAL B 606 -22.535 4.636 -5.533 1.00 13.10 N ATOM 2069 CA VAL B 606 -21.577 5.304 -4.670 1.00 10.05 C ATOM 2070 C VAL B 606 -20.922 4.274 -3.747 1.00 33.11 C ATOM 2071 O VAL B 606 -21.296 3.103 -3.755 1.00 74.11 O ATOM 2072 CB VAL B 606 -22.262 6.440 -3.907 1.00 45.42 C ATOM 2073 CG1 VAL B 606 -22.745 7.530 -4.866 1.00 30.21 C ATOM 2074 CG2 VAL B 606 -23.417 5.908 -3.054 1.00 64.30 C ATOM 0 H VAL B 606 -23.495 4.969 -5.442 1.00 13.10 H new ATOM 0 HA VAL B 606 -20.784 5.760 -5.262 1.00 10.05 H new ATOM 0 HB VAL B 606 -21.527 6.885 -3.236 1.00 45.42 H new ATOM 0 HG11 VAL B 606 -23.228 8.326 -4.299 1.00 30.21 H new ATOM 0 HG12 VAL B 606 -21.894 7.938 -5.411 1.00 30.21 H new ATOM 0 HG13 VAL B 606 -23.457 7.104 -5.572 1.00 30.21 H new ATOM 0 HG21 VAL B 606 -23.887 6.735 -2.522 1.00 64.30 H new ATOM 0 HG22 VAL B 606 -24.153 5.426 -3.698 1.00 64.30 H new ATOM 0 HG23 VAL B 606 -23.034 5.184 -2.334 1.00 64.30 H new ATOM 2084 N ILE B 607 -19.956 4.749 -2.974 1.00 53.13 N ATOM 2085 CA ILE B 607 -19.245 3.884 -2.048 1.00 52.11 C ATOM 2086 C ILE B 607 -19.743 4.149 -0.626 1.00 71.45 C ATOM 2087 O ILE B 607 -20.607 5.001 -0.415 1.00 12.45 O ATOM 2088 CB ILE B 607 -17.733 4.050 -2.212 1.00 63.01 C ATOM 2089 CG1 ILE B 607 -17.372 4.372 -3.663 1.00 60.51 C ATOM 2090 CG2 ILE B 607 -16.987 2.819 -1.694 1.00 70.03 C ATOM 2091 CD1 ILE B 607 -17.387 5.882 -3.909 1.00 71.40 C ATOM 0 H ILE B 607 -19.649 5.722 -2.970 1.00 53.13 H new ATOM 0 HA ILE B 607 -19.452 2.837 -2.269 1.00 52.11 H new ATOM 0 HB ILE B 607 -17.414 4.898 -1.605 1.00 63.01 H new ATOM 0 HG12 ILE B 607 -16.384 3.972 -3.893 1.00 60.51 H new ATOM 0 HG13 ILE B 607 -18.078 3.883 -4.334 1.00 60.51 H new ATOM 0 HG21 ILE B 607 -15.914 2.963 -1.822 1.00 70.03 H new ATOM 0 HG22 ILE B 607 -17.210 2.677 -0.637 1.00 70.03 H new ATOM 0 HG23 ILE B 607 -17.304 1.939 -2.253 1.00 70.03 H new ATOM 0 HD11 ILE B 607 -17.127 6.084 -4.948 1.00 71.40 H new ATOM 0 HD12 ILE B 607 -18.382 6.275 -3.701 1.00 71.40 H new ATOM 0 HD13 ILE B 607 -16.662 6.365 -3.253 1.00 71.40 H new ATOM 2103 N LYS B 608 -19.178 3.405 0.313 1.00 54.41 N ATOM 2104 CA LYS B 608 -19.553 3.549 1.709 1.00 40.33 C ATOM 2105 C LYS B 608 -18.369 3.154 2.595 1.00 31.41 C ATOM 2106 O LYS B 608 -18.018 1.978 2.677 1.00 62.21 O ATOM 2107 CB LYS B 608 -20.832 2.761 2.005 1.00 33.02 C ATOM 2108 CG LYS B 608 -20.917 1.508 1.133 1.00 2.52 C ATOM 2109 CD LYS B 608 -19.826 0.504 1.510 1.00 35.40 C ATOM 2110 CE LYS B 608 -20.208 -0.911 1.069 1.00 71.52 C ATOM 2111 NZ LYS B 608 -21.337 -1.418 1.879 1.00 1.31 N ATOM 0 H LYS B 608 -18.463 2.700 0.134 1.00 54.41 H new ATOM 0 HA LYS B 608 -19.787 4.589 1.934 1.00 40.33 H new ATOM 0 HB2 LYS B 608 -20.854 2.478 3.057 1.00 33.02 H new ATOM 0 HB3 LYS B 608 -21.702 3.393 1.826 1.00 33.02 H new ATOM 0 HG2 LYS B 608 -21.897 1.046 1.248 1.00 2.52 H new ATOM 0 HG3 LYS B 608 -20.816 1.783 0.083 1.00 2.52 H new ATOM 0 HD2 LYS B 608 -18.884 0.793 1.043 1.00 35.40 H new ATOM 0 HD3 LYS B 608 -19.666 0.522 2.588 1.00 35.40 H new ATOM 0 HE2 LYS B 608 -20.482 -0.908 0.014 1.00 71.52 H new ATOM 0 HE3 LYS B 608 -19.350 -1.575 1.174 1.00 71.52 H new ATOM 0 HZ1 LYS B 608 -21.328 -2.458 1.875 1.00 1.31 H new ATOM 0 HZ2 LYS B 608 -21.245 -1.075 2.856 1.00 1.31 H new ATOM 0 HZ3 LYS B 608 -22.234 -1.078 1.476 1.00 1.31 H new ATOM 2125 N GLN B 609 -17.789 4.158 3.234 1.00 50.12 N ATOM 2126 CA GLN B 609 -16.653 3.929 4.110 1.00 30.54 C ATOM 2127 C GLN B 609 -17.087 4.007 5.575 1.00 50.42 C ATOM 2128 O GLN B 609 -17.718 4.978 5.988 1.00 51.34 O ATOM 2129 CB GLN B 609 -15.527 4.925 3.819 1.00 75.51 C ATOM 2130 CG GLN B 609 -15.484 5.285 2.332 1.00 42.52 C ATOM 2131 CD GLN B 609 -16.435 6.443 2.022 1.00 52.42 C ATOM 2132 OE1 GLN B 609 -16.343 7.522 2.584 1.00 33.24 O ATOM 2133 NE2 GLN B 609 -17.349 6.161 1.099 1.00 24.14 N ATOM 0 H GLN B 609 -18.084 5.132 3.163 1.00 50.12 H new ATOM 0 HA GLN B 609 -16.268 2.927 3.918 1.00 30.54 H new ATOM 0 HB2 GLN B 609 -15.673 5.828 4.411 1.00 75.51 H new ATOM 0 HB3 GLN B 609 -14.571 4.497 4.121 1.00 75.51 H new ATOM 0 HG2 GLN B 609 -14.467 5.559 2.049 1.00 42.52 H new ATOM 0 HG3 GLN B 609 -15.758 4.415 1.735 1.00 42.52 H new ATOM 0 HE21 GLN B 609 -17.370 5.237 0.668 1.00 24.14 H new ATOM 0 HE22 GLN B 609 -18.029 6.869 0.822 1.00 24.14 H new ATOM 2142 N GLU B 610 -16.732 2.971 6.321 1.00 74.31 N ATOM 2143 CA GLU B 610 -17.077 2.910 7.730 1.00 25.44 C ATOM 2144 C GLU B 610 -15.809 2.864 8.586 1.00 44.11 C ATOM 2145 O GLU B 610 -14.701 2.977 8.065 1.00 14.02 O ATOM 2146 CB GLU B 610 -17.979 1.708 8.021 1.00 15.33 C ATOM 2147 CG GLU B 610 -19.384 1.927 7.456 1.00 10.24 C ATOM 2148 CD GLU B 610 -20.280 2.637 8.473 1.00 3.43 C ATOM 2149 OE1 GLU B 610 -20.333 2.229 9.644 1.00 40.45 O ATOM 2150 OE2 GLU B 610 -20.934 3.648 8.011 1.00 64.00 O ATOM 0 H GLU B 610 -16.209 2.167 5.975 1.00 74.31 H new ATOM 0 HA GLU B 610 -17.633 3.812 7.988 1.00 25.44 H new ATOM 0 HB2 GLU B 610 -17.544 0.809 7.585 1.00 15.33 H new ATOM 0 HB3 GLU B 610 -18.037 1.545 9.097 1.00 15.33 H new ATOM 0 HG2 GLU B 610 -19.324 2.519 6.543 1.00 10.24 H new ATOM 0 HG3 GLU B 610 -19.825 0.967 7.185 1.00 10.24 H new ATOM 2158 N VAL B 611 -16.016 2.697 9.885 1.00 40.31 N ATOM 2159 CA VAL B 611 -14.904 2.635 10.817 1.00 23.14 C ATOM 2160 C VAL B 611 -15.136 1.492 11.807 1.00 74.53 C ATOM 2161 O VAL B 611 -16.107 1.509 12.563 1.00 54.30 O ATOM 2162 CB VAL B 611 -14.719 3.992 11.502 1.00 50.03 C ATOM 2163 CG1 VAL B 611 -16.068 4.667 11.753 1.00 5.14 C ATOM 2164 CG2 VAL B 611 -13.929 3.844 12.803 1.00 41.14 C ATOM 0 H VAL B 611 -16.937 2.603 10.313 1.00 40.31 H new ATOM 0 HA VAL B 611 -13.974 2.423 10.289 1.00 23.14 H new ATOM 0 HB VAL B 611 -14.145 4.632 10.832 1.00 50.03 H new ATOM 0 HG11 VAL B 611 -15.908 5.629 12.240 1.00 5.14 H new ATOM 0 HG12 VAL B 611 -16.580 4.822 10.803 1.00 5.14 H new ATOM 0 HG13 VAL B 611 -16.679 4.032 12.395 1.00 5.14 H new ATOM 0 HG21 VAL B 611 -13.811 4.822 13.270 1.00 41.14 H new ATOM 0 HG22 VAL B 611 -14.465 3.180 13.481 1.00 41.14 H new ATOM 0 HG23 VAL B 611 -12.947 3.425 12.586 1.00 41.14 H new ATOM 2174 N GLU B 612 -14.231 0.526 11.770 1.00 53.42 N ATOM 2175 CA GLU B 612 -14.326 -0.623 12.654 1.00 32.05 C ATOM 2176 C GLU B 612 -13.337 -0.484 13.814 1.00 35.50 C ATOM 2177 O GLU B 612 -13.648 -0.850 14.946 1.00 5.21 O ATOM 2178 CB GLU B 612 -14.092 -1.926 11.887 1.00 3.50 C ATOM 2179 CG GLU B 612 -12.814 -1.846 11.049 1.00 33.52 C ATOM 2180 CD GLU B 612 -12.446 -3.218 10.479 1.00 72.22 C ATOM 2181 OE1 GLU B 612 -11.572 -3.905 11.031 1.00 41.33 O ATOM 2182 OE2 GLU B 612 -13.104 -3.566 9.425 1.00 41.42 O ATOM 0 H GLU B 612 -13.428 0.515 11.141 1.00 53.42 H new ATOM 0 HA GLU B 612 -15.335 -0.658 13.065 1.00 32.05 H new ATOM 0 HB2 GLU B 612 -14.020 -2.757 12.588 1.00 3.50 H new ATOM 0 HB3 GLU B 612 -14.944 -2.129 11.239 1.00 3.50 H new ATOM 0 HG2 GLU B 612 -12.953 -1.135 10.235 1.00 33.52 H new ATOM 0 HG3 GLU B 612 -11.995 -1.472 11.663 1.00 33.52 H new ATOM 2190 N ARG B 613 -12.167 0.047 13.491 1.00 12.02 N ATOM 2191 CA ARG B 613 -11.131 0.239 14.491 1.00 41.35 C ATOM 2192 C ARG B 613 -10.258 1.441 14.127 1.00 24.23 C ATOM 2193 O ARG B 613 -9.944 2.267 14.984 1.00 43.52 O ATOM 2194 CB ARG B 613 -10.248 -1.005 14.616 1.00 13.42 C ATOM 2195 CG ARG B 613 -10.214 -1.787 13.302 1.00 61.03 C ATOM 2196 CD ARG B 613 -8.988 -2.699 13.236 1.00 71.31 C ATOM 2197 NE ARG B 613 -9.188 -3.746 12.208 1.00 61.42 N ATOM 2198 CZ ARG B 613 -8.547 -4.933 12.204 1.00 10.13 C ATOM 2199 NH1 ARG B 613 -7.659 -5.237 13.174 1.00 12.10 N ATOM 2200 NH2 ARG B 613 -8.803 -5.793 11.237 1.00 25.13 N ATOM 0 H ARG B 613 -11.914 0.350 12.551 1.00 12.02 H new ATOM 0 HA ARG B 613 -11.623 0.419 15.447 1.00 41.35 H new ATOM 0 HB2 ARG B 613 -9.236 -0.711 14.894 1.00 13.42 H new ATOM 0 HB3 ARG B 613 -10.625 -1.644 15.414 1.00 13.42 H new ATOM 0 HG2 ARG B 613 -11.121 -2.384 13.207 1.00 61.03 H new ATOM 0 HG3 ARG B 613 -10.200 -1.092 12.462 1.00 61.03 H new ATOM 0 HD2 ARG B 613 -8.100 -2.112 13.000 1.00 71.31 H new ATOM 0 HD3 ARG B 613 -8.816 -3.161 14.208 1.00 71.31 H new ATOM 0 HE ARG B 613 -9.851 -3.558 11.456 1.00 61.42 H new ATOM 0 HH11 ARG B 613 -7.468 -4.567 13.919 1.00 12.10 H new ATOM 0 HH12 ARG B 613 -7.179 -6.137 13.162 1.00 12.10 H new ATOM 0 HH21 ARG B 613 -9.476 -5.556 10.508 1.00 25.13 H new ATOM 0 HH22 ARG B 613 -8.328 -6.695 11.218 1.00 25.13 H new ATOM 2214 N LEU B 614 -9.891 1.502 12.855 1.00 54.24 N ATOM 2215 CA LEU B 614 -9.060 2.591 12.369 1.00 61.12 C ATOM 2216 C LEU B 614 -9.868 3.889 12.385 1.00 40.40 C ATOM 2217 O LEU B 614 -10.958 3.940 12.953 1.00 75.01 O ATOM 2218 CB LEU B 614 -8.478 2.246 10.996 1.00 22.24 C ATOM 2219 CG LEU B 614 -7.567 1.018 10.944 1.00 4.31 C ATOM 2220 CD1 LEU B 614 -8.362 -0.240 10.594 1.00 34.05 C ATOM 2221 CD2 LEU B 614 -6.398 1.243 9.982 1.00 23.23 C ATOM 0 H LEU B 614 -10.153 0.816 12.147 1.00 54.24 H new ATOM 0 HA LEU B 614 -8.203 2.741 13.026 1.00 61.12 H new ATOM 0 HB2 LEU B 614 -9.304 2.091 10.302 1.00 22.24 H new ATOM 0 HB3 LEU B 614 -7.915 3.107 10.635 1.00 22.24 H new ATOM 0 HG LEU B 614 -7.143 0.865 11.936 1.00 4.31 H new ATOM 0 HD11 LEU B 614 -7.691 -1.098 10.564 1.00 34.05 H new ATOM 0 HD12 LEU B 614 -9.130 -0.407 11.349 1.00 34.05 H new ATOM 0 HD13 LEU B 614 -8.833 -0.113 9.619 1.00 34.05 H new ATOM 0 HD21 LEU B 614 -5.766 0.355 9.964 1.00 23.23 H new ATOM 0 HD22 LEU B 614 -6.783 1.435 8.980 1.00 23.23 H new ATOM 0 HD23 LEU B 614 -5.812 2.099 10.316 1.00 23.23 H new ATOM 2233 N GLY B 615 -9.301 4.908 11.755 1.00 40.14 N ATOM 2234 CA GLY B 615 -9.956 6.205 11.690 1.00 55.23 C ATOM 2235 C GLY B 615 -9.167 7.173 10.806 1.00 22.31 C ATOM 2236 O GLY B 615 -9.096 6.992 9.591 1.00 54.11 O ATOM 0 H GLY B 615 -8.397 4.862 11.286 1.00 40.14 H new ATOM 0 HA2 GLY B 615 -10.966 6.087 11.296 1.00 55.23 H new ATOM 0 HA3 GLY B 615 -10.052 6.619 12.694 1.00 55.23 H new ATOM 2240 N ASN B 616 -8.595 8.180 11.449 1.00 44.14 N ATOM 2241 CA ASN B 616 -7.814 9.177 10.737 1.00 32.45 C ATOM 2242 C ASN B 616 -6.662 8.488 10.003 1.00 32.00 C ATOM 2243 O ASN B 616 -6.797 8.120 8.837 1.00 44.11 O ATOM 2244 CB ASN B 616 -7.215 10.200 11.703 1.00 34.14 C ATOM 2245 CG ASN B 616 -6.114 11.016 11.022 1.00 43.35 C ATOM 2246 OD1 ASN B 616 -6.261 11.501 9.913 1.00 73.32 O ATOM 2247 ND2 ASN B 616 -5.007 11.143 11.748 1.00 63.11 N ATOM 0 H ASN B 616 -8.657 8.327 12.456 1.00 44.14 H new ATOM 0 HA ASN B 616 -8.476 9.687 10.037 1.00 32.45 H new ATOM 0 HB2 ASN B 616 -7.998 10.868 12.063 1.00 34.14 H new ATOM 0 HB3 ASN B 616 -6.807 9.688 12.574 1.00 34.14 H new ATOM 0 HD21 ASN B 616 -4.215 11.672 11.383 1.00 63.11 H new ATOM 0 HD22 ASN B 616 -4.950 10.711 12.670 1.00 63.11 H new ATOM 2254 N ASP B 617 -5.558 8.334 10.716 1.00 35.43 N ATOM 2255 CA ASP B 617 -4.383 7.695 10.147 1.00 0.54 C ATOM 2256 C ASP B 617 -4.767 6.313 9.612 1.00 31.41 C ATOM 2257 O ASP B 617 -5.949 5.984 9.529 1.00 64.21 O ATOM 2258 CB ASP B 617 -3.291 7.507 11.203 1.00 3.41 C ATOM 2259 CG ASP B 617 -3.177 8.641 12.223 1.00 34.00 C ATOM 2260 OD1 ASP B 617 -2.842 9.783 11.874 1.00 5.14 O ATOM 2261 OD2 ASP B 617 -3.453 8.311 13.439 1.00 32.53 O ATOM 0 H ASP B 617 -5.451 8.640 11.683 1.00 35.43 H new ATOM 0 HA ASP B 617 -4.006 8.334 9.349 1.00 0.54 H new ATOM 0 HB2 ASP B 617 -3.479 6.576 11.737 1.00 3.41 H new ATOM 0 HB3 ASP B 617 -2.332 7.396 10.697 1.00 3.41 H new ATOM 2267 N VAL B 618 -3.746 5.543 9.266 1.00 60.45 N ATOM 2268 CA VAL B 618 -3.962 4.205 8.743 1.00 71.01 C ATOM 2269 C VAL B 618 -3.483 3.177 9.770 1.00 52.14 C ATOM 2270 O VAL B 618 -3.947 2.039 9.775 1.00 72.10 O ATOM 2271 CB VAL B 618 -3.274 4.057 7.384 1.00 63.33 C ATOM 2272 CG1 VAL B 618 -4.255 4.323 6.241 1.00 61.31 C ATOM 2273 CG2 VAL B 618 -2.053 4.976 7.284 1.00 73.24 C ATOM 0 H VAL B 618 -2.767 5.820 9.338 1.00 60.45 H new ATOM 0 HA VAL B 618 -5.024 4.027 8.576 1.00 71.01 H new ATOM 0 HB VAL B 618 -2.927 3.028 7.295 1.00 63.33 H new ATOM 0 HG11 VAL B 618 -3.741 4.211 5.287 1.00 61.31 H new ATOM 0 HG12 VAL B 618 -5.078 3.611 6.295 1.00 61.31 H new ATOM 0 HG13 VAL B 618 -4.646 5.337 6.326 1.00 61.31 H new ATOM 0 HG21 VAL B 618 -1.583 4.851 6.309 1.00 73.24 H new ATOM 0 HG22 VAL B 618 -2.367 6.013 7.405 1.00 73.24 H new ATOM 0 HG23 VAL B 618 -1.339 4.719 8.067 1.00 73.24 H new ATOM 2283 N PHE B 619 -2.560 3.616 10.614 1.00 25.44 N ATOM 2284 CA PHE B 619 -2.014 2.749 11.643 1.00 11.22 C ATOM 2285 C PHE B 619 -2.227 3.347 13.034 1.00 72.23 C ATOM 2286 O PHE B 619 -1.569 4.318 13.403 1.00 20.52 O ATOM 2287 CB PHE B 619 -0.512 2.629 11.377 1.00 22.20 C ATOM 2288 CG PHE B 619 -0.164 2.239 9.938 1.00 3.55 C ATOM 2289 CD1 PHE B 619 -1.021 1.467 9.217 1.00 44.43 C ATOM 2290 CD2 PHE B 619 1.001 2.662 9.382 1.00 21.51 C ATOM 2291 CE1 PHE B 619 -0.699 1.104 7.883 1.00 2.14 C ATOM 2292 CE2 PHE B 619 1.325 2.301 8.048 1.00 51.22 C ATOM 2293 CZ PHE B 619 0.468 1.529 7.325 1.00 0.11 C ATOM 0 H PHE B 619 -2.177 4.561 10.605 1.00 25.44 H new ATOM 0 HA PHE B 619 -2.511 1.779 11.614 1.00 11.22 H new ATOM 0 HB2 PHE B 619 -0.035 3.581 11.610 1.00 22.20 H new ATOM 0 HB3 PHE B 619 -0.091 1.887 12.056 1.00 22.20 H new ATOM 0 HD1 PHE B 619 -1.947 1.130 9.660 1.00 44.43 H new ATOM 0 HD2 PHE B 619 1.682 3.274 9.956 1.00 21.51 H new ATOM 0 HE1 PHE B 619 -1.379 0.491 7.311 1.00 2.14 H new ATOM 0 HE2 PHE B 619 2.251 2.639 7.607 1.00 51.22 H new ATOM 0 HZ PHE B 619 0.713 1.254 6.310 1.00 0.11 H new ATOM 2303 N GLU B 620 -3.149 2.742 13.770 1.00 25.21 N ATOM 2304 CA GLU B 620 -3.457 3.203 15.113 1.00 20.41 C ATOM 2305 C GLU B 620 -3.658 2.011 16.050 1.00 10.51 C ATOM 2306 O GLU B 620 -4.657 1.938 16.763 1.00 10.54 O ATOM 2307 CB GLU B 620 -4.689 4.112 15.111 1.00 32.30 C ATOM 2308 CG GLU B 620 -5.644 3.740 13.975 1.00 52.04 C ATOM 2309 CD GLU B 620 -6.808 4.729 13.893 1.00 45.41 C ATOM 2310 OE1 GLU B 620 -7.777 4.610 14.658 1.00 45.45 O ATOM 2311 OE2 GLU B 620 -6.682 5.646 12.995 1.00 53.42 O ATOM 0 H GLU B 620 -3.693 1.936 13.461 1.00 25.21 H new ATOM 0 HA GLU B 620 -2.613 3.789 15.478 1.00 20.41 H new ATOM 0 HB2 GLU B 620 -5.206 4.031 16.067 1.00 32.30 H new ATOM 0 HB3 GLU B 620 -4.378 5.151 15.004 1.00 32.30 H new ATOM 0 HG2 GLU B 620 -5.103 3.730 13.029 1.00 52.04 H new ATOM 0 HG3 GLU B 620 -6.028 2.732 14.133 1.00 52.04 H new ATOM 2319 N TRP B 621 -2.690 1.106 16.019 1.00 11.35 N ATOM 2320 CA TRP B 621 -2.748 -0.079 16.857 1.00 24.13 C ATOM 2321 C TRP B 621 -1.312 -0.520 17.153 1.00 42.02 C ATOM 2322 O TRP B 621 -0.359 0.140 16.740 1.00 11.11 O ATOM 2323 CB TRP B 621 -3.585 -1.178 16.199 1.00 73.32 C ATOM 2324 CG TRP B 621 -3.027 -1.669 14.861 1.00 45.15 C ATOM 2325 CD1 TRP B 621 -1.833 -2.228 14.621 1.00 51.44 C ATOM 2326 CD2 TRP B 621 -3.694 -1.620 13.581 1.00 21.22 C ATOM 2327 NE1 TRP B 621 -1.683 -2.543 13.285 1.00 63.02 N ATOM 2328 CE2 TRP B 621 -2.850 -2.162 12.634 1.00 20.41 C ATOM 2329 CE3 TRP B 621 -4.968 -1.136 13.237 1.00 41.52 C ATOM 2330 CZ2 TRP B 621 -3.186 -2.270 11.280 1.00 31.15 C ATOM 2331 CZ3 TRP B 621 -5.290 -1.251 11.880 1.00 32.13 C ATOM 2332 CH2 TRP B 621 -4.450 -1.792 10.913 1.00 64.22 C ATOM 0 H TRP B 621 -1.862 1.170 15.427 1.00 11.35 H new ATOM 0 HA TRP B 621 -3.247 0.142 17.800 1.00 24.13 H new ATOM 0 HB2 TRP B 621 -3.658 -2.024 16.883 1.00 73.32 H new ATOM 0 HB3 TRP B 621 -4.598 -0.806 16.044 1.00 73.32 H new ATOM 0 HD1 TRP B 621 -1.083 -2.409 15.377 1.00 51.44 H new ATOM 0 HE1 TRP B 621 -0.866 -2.976 12.855 1.00 63.02 H new ATOM 0 HE3 TRP B 621 -5.645 -0.709 13.962 1.00 41.52 H new ATOM 0 HZ2 TRP B 621 -2.507 -2.699 10.557 1.00 31.15 H new ATOM 0 HZ3 TRP B 621 -6.259 -0.895 11.562 1.00 32.13 H new ATOM 0 HH2 TRP B 621 -4.771 -1.843 9.883 1.00 64.22 H new ATOM 2343 N GLU B 622 -1.203 -1.631 17.866 1.00 25.53 N ATOM 2344 CA GLU B 622 0.100 -2.167 18.222 1.00 41.33 C ATOM 2345 C GLU B 622 1.058 -2.067 17.033 1.00 13.42 C ATOM 2346 O GLU B 622 1.856 -1.136 16.951 1.00 1.24 O ATOM 2347 CB GLU B 622 -0.016 -3.612 18.711 1.00 62.13 C ATOM 2348 CG GLU B 622 1.333 -4.330 18.631 1.00 34.31 C ATOM 2349 CD GLU B 622 2.475 -3.395 19.038 1.00 41.32 C ATOM 2350 OE1 GLU B 622 3.397 -3.158 18.242 1.00 64.15 O ATOM 2351 OE2 GLU B 622 2.382 -2.908 20.230 1.00 44.04 O ATOM 0 H GLU B 622 -1.996 -2.175 18.207 1.00 25.53 H new ATOM 0 HA GLU B 622 0.504 -1.572 19.041 1.00 41.33 H new ATOM 0 HB2 GLU B 622 -0.377 -3.623 19.739 1.00 62.13 H new ATOM 0 HB3 GLU B 622 -0.752 -4.145 18.109 1.00 62.13 H new ATOM 0 HG2 GLU B 622 1.323 -5.204 19.282 1.00 34.31 H new ATOM 0 HG3 GLU B 622 1.498 -4.691 17.616 1.00 34.31 H new ATOM 2359 N ASP B 623 0.946 -3.039 16.140 1.00 21.43 N ATOM 2360 CA ASP B 623 1.791 -3.072 14.959 1.00 72.32 C ATOM 2361 C ASP B 623 1.318 -2.008 13.967 1.00 14.13 C ATOM 2362 O ASP B 623 0.867 -2.334 12.870 1.00 14.44 O ATOM 2363 CB ASP B 623 1.716 -4.434 14.264 1.00 24.22 C ATOM 2364 CG ASP B 623 2.303 -4.473 12.852 1.00 54.21 C ATOM 2365 OD1 ASP B 623 2.139 -5.460 12.120 1.00 4.31 O ATOM 2366 OD2 ASP B 623 2.962 -3.420 12.507 1.00 14.51 O ATOM 0 H ASP B 623 0.282 -3.810 16.211 1.00 21.43 H new ATOM 0 HA ASP B 623 2.817 -2.885 15.275 1.00 72.32 H new ATOM 0 HB2 ASP B 623 2.238 -5.168 14.878 1.00 24.22 H new ATOM 0 HB3 ASP B 623 0.672 -4.743 14.216 1.00 24.22 H new ATOM 2372 N ASP B 624 1.435 -0.758 14.389 1.00 63.21 N ATOM 2373 CA ASP B 624 1.024 0.356 13.552 1.00 2.44 C ATOM 2374 C ASP B 624 1.825 0.332 12.249 1.00 5.53 C ATOM 2375 O ASP B 624 1.253 0.406 11.162 1.00 43.52 O ATOM 2376 CB ASP B 624 1.291 1.693 14.245 1.00 43.24 C ATOM 2377 CG ASP B 624 2.722 2.219 14.111 1.00 11.11 C ATOM 2378 OD1 ASP B 624 2.953 3.308 13.566 1.00 61.32 O ATOM 2379 OD2 ASP B 624 3.632 1.449 14.600 1.00 24.20 O ATOM 0 H ASP B 624 1.809 -0.492 15.300 1.00 63.21 H new ATOM 0 HA ASP B 624 -0.044 0.256 13.359 1.00 2.44 H new ATOM 0 HB2 ASP B 624 0.607 2.438 13.839 1.00 43.24 H new ATOM 0 HB3 ASP B 624 1.056 1.589 15.304 1.00 43.24 H new ATOM 2385 N GLU B 625 3.139 0.227 12.399 1.00 20.02 N ATOM 2386 CA GLU B 625 4.023 0.193 11.248 1.00 44.10 C ATOM 2387 C GLU B 625 5.096 -0.884 11.435 1.00 71.11 C ATOM 2388 O GLU B 625 6.040 -0.967 10.652 1.00 31.20 O ATOM 2389 CB GLU B 625 4.659 1.561 11.004 1.00 13.31 C ATOM 2390 CG GLU B 625 5.400 2.053 12.249 1.00 75.10 C ATOM 2391 CD GLU B 625 6.857 2.387 11.926 1.00 32.24 C ATOM 2392 OE1 GLU B 625 7.497 1.672 11.139 1.00 75.01 O ATOM 2393 OE2 GLU B 625 7.324 3.431 12.522 1.00 11.44 O ATOM 0 H GLU B 625 3.611 0.164 13.301 1.00 20.02 H new ATOM 0 HA GLU B 625 3.431 -0.058 10.368 1.00 44.10 H new ATOM 0 HB2 GLU B 625 5.352 1.499 10.165 1.00 13.31 H new ATOM 0 HB3 GLU B 625 3.888 2.280 10.728 1.00 13.31 H new ATOM 0 HG2 GLU B 625 4.901 2.936 12.648 1.00 75.10 H new ATOM 0 HG3 GLU B 625 5.362 1.288 13.025 1.00 75.10 H new ATOM 2401 N SER B 626 4.914 -1.679 12.480 1.00 3.43 N ATOM 2402 CA SER B 626 5.853 -2.747 12.780 1.00 72.44 C ATOM 2403 C SER B 626 6.327 -3.407 11.483 1.00 60.04 C ATOM 2404 O SER B 626 5.597 -3.433 10.492 1.00 70.54 O ATOM 2405 CB SER B 626 5.224 -3.789 13.706 1.00 35.15 C ATOM 2406 OG SER B 626 6.191 -4.394 14.562 1.00 4.03 O ATOM 0 H SER B 626 4.131 -1.605 13.129 1.00 3.43 H new ATOM 0 HA SER B 626 6.711 -2.314 13.294 1.00 72.44 H new ATOM 0 HB2 SER B 626 4.449 -3.317 14.310 1.00 35.15 H new ATOM 0 HB3 SER B 626 4.737 -4.559 13.108 1.00 35.15 H new ATOM 0 HG SER B 626 5.751 -5.052 15.139 1.00 4.03 H new ATOM 2412 N ASP B 627 7.547 -3.922 11.531 1.00 24.54 N ATOM 2413 CA ASP B 627 8.126 -4.581 10.373 1.00 32.12 C ATOM 2414 C ASP B 627 7.707 -6.052 10.363 1.00 14.14 C ATOM 2415 O ASP B 627 8.231 -6.845 9.584 1.00 24.25 O ATOM 2416 CB ASP B 627 9.654 -4.524 10.415 1.00 1.41 C ATOM 2417 CG ASP B 627 10.273 -4.795 11.789 1.00 61.45 C ATOM 2418 OD1 ASP B 627 10.568 -5.946 12.141 1.00 61.00 O ATOM 2419 OD2 ASP B 627 10.453 -3.748 12.520 1.00 21.33 O ATOM 0 H ASP B 627 8.150 -3.896 12.353 1.00 24.54 H new ATOM 0 HA ASP B 627 7.770 -4.067 9.480 1.00 32.12 H new ATOM 0 HB2 ASP B 627 10.050 -5.250 9.705 1.00 1.41 H new ATOM 0 HB3 ASP B 627 9.976 -3.539 10.076 1.00 1.41 H new ATOM 2425 N GLU B 628 6.766 -6.372 11.240 1.00 14.44 N ATOM 2426 CA GLU B 628 6.270 -7.734 11.344 1.00 65.14 C ATOM 2427 C GLU B 628 5.405 -8.076 10.129 1.00 32.14 C ATOM 2428 O GLU B 628 5.080 -9.242 9.904 1.00 70.04 O ATOM 2429 CB GLU B 628 5.492 -7.936 12.646 1.00 14.41 C ATOM 2430 CG GLU B 628 4.097 -7.318 12.553 1.00 3.20 C ATOM 2431 CD GLU B 628 3.368 -7.404 13.896 1.00 42.30 C ATOM 2432 OE1 GLU B 628 2.322 -8.061 13.992 1.00 1.42 O ATOM 2433 OE2 GLU B 628 3.928 -6.758 14.861 1.00 3.33 O ATOM 0 H GLU B 628 6.334 -5.711 11.885 1.00 14.44 H new ATOM 0 HA GLU B 628 7.123 -8.412 11.361 1.00 65.14 H new ATOM 0 HB2 GLU B 628 5.408 -9.001 12.862 1.00 14.41 H new ATOM 0 HB3 GLU B 628 6.039 -7.485 13.474 1.00 14.41 H new ATOM 0 HG2 GLU B 628 4.177 -6.276 12.245 1.00 3.20 H new ATOM 0 HG3 GLU B 628 3.517 -7.833 11.787 1.00 3.20 H new ATOM 2441 N ILE B 629 5.057 -7.042 9.378 1.00 24.41 N ATOM 2442 CA ILE B 629 4.236 -7.219 8.193 1.00 43.42 C ATOM 2443 C ILE B 629 5.142 -7.408 6.974 1.00 31.11 C ATOM 2444 O ILE B 629 4.749 -7.097 5.851 1.00 23.45 O ATOM 2445 CB ILE B 629 3.245 -6.062 8.050 1.00 50.14 C ATOM 2446 CG1 ILE B 629 3.937 -4.717 8.276 1.00 52.51 C ATOM 2447 CG2 ILE B 629 2.042 -6.253 8.975 1.00 41.43 C ATOM 2448 CD1 ILE B 629 5.244 -4.633 7.486 1.00 61.41 C ATOM 0 H ILE B 629 5.329 -6.077 9.568 1.00 24.41 H new ATOM 0 HA ILE B 629 3.628 -8.119 8.281 1.00 43.42 H new ATOM 0 HB ILE B 629 2.866 -6.060 7.028 1.00 50.14 H new ATOM 0 HG12 ILE B 629 3.273 -3.907 7.974 1.00 52.51 H new ATOM 0 HG13 ILE B 629 4.141 -4.583 9.338 1.00 52.51 H new ATOM 0 HG21 ILE B 629 1.353 -5.417 8.854 1.00 41.43 H new ATOM 0 HG22 ILE B 629 1.532 -7.183 8.722 1.00 41.43 H new ATOM 0 HG23 ILE B 629 2.382 -6.296 10.010 1.00 41.43 H new ATOM 0 HD11 ILE B 629 5.716 -3.667 7.665 1.00 61.41 H new ATOM 0 HD12 ILE B 629 5.915 -5.429 7.807 1.00 61.41 H new ATOM 0 HD13 ILE B 629 5.034 -4.743 6.422 1.00 61.41 H new ATOM 2460 N ALA B 630 6.337 -7.916 7.238 1.00 41.41 N ATOM 2461 CA ALA B 630 7.302 -8.150 6.177 1.00 34.31 C ATOM 2462 C ALA B 630 6.943 -9.444 5.443 1.00 73.25 C ATOM 2463 O ALA B 630 5.809 -9.616 4.999 1.00 11.20 O ATOM 2464 CB ALA B 630 8.712 -8.186 6.769 1.00 15.34 C ATOM 0 H ALA B 630 6.659 -8.172 8.171 1.00 41.41 H new ATOM 0 HA ALA B 630 7.276 -7.340 5.448 1.00 34.31 H new ATOM 0 HB1 ALA B 630 9.436 -8.362 5.974 1.00 15.34 H new ATOM 0 HB2 ALA B 630 8.928 -7.233 7.253 1.00 15.34 H new ATOM 0 HB3 ALA B 630 8.778 -8.989 7.503 1.00 15.34 H new TER 2470 ALA B 630