USER MOD reduce.3.24.130724 H: found=0, std=0, add=748, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 744 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 82 SER OG : rot -179:sc= -0.599 USER MOD Set 1.2: A 87 HIS : no HE2:sc= -6.07! C(o=-6.7!,f=-6.7!) USER MOD Set 2.1: A 10 HIS :FLIP no HE2:sc= -1.56! C(o=-5.5!,f=-0.15!) USER MOD Set 2.2: A 40 SER OG : rot -170:sc= 0.566 USER MOD Set 2.3: A 45 SER OG : rot 101:sc= 0.837 USER MOD Single : A 1 GLY N :NH3+ -113:sc= 0.0704 (180deg=0) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 4 ASN : amide:sc= -0.0637 X(o=-0.064,f=-0.068) USER MOD Single : A 5 LYS NZ :NH3+ 163:sc= -0.0179 (180deg=-0.212) USER MOD Single : A 7 LYS NZ :NH3+ -130:sc= 0.0503 (180deg=-1.22) USER MOD Single : A 8 CYS SG : rot 173:sc= -0.634 USER MOD Single : A 9 SER OG : rot 87:sc= 1.22 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ 149:sc= -0.0236 (180deg=-0.598) USER MOD Single : A 16 GLN : amide:sc= 0 K(o=0,f=-0.66) USER MOD Single : A 17 SER OG : rot 168:sc= -1.02 USER MOD Single : A 23 MET CE :methyl -133:sc= -2.89! (180deg=-5.75!) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ -158:sc= -0.0559 (180deg=-0.323) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ 173:sc= -0.0011 (180deg=-0.0809) USER MOD Single : A 49 ASN : amide:sc= -0.339 X(o=-0.34,f=-0.15) USER MOD Single : A 51 ASN :FLIP amide:sc= -0.278 F(o=-1.5,f=-0.28) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ 151:sc= -0.136 (180deg=-0.69) USER MOD Single : A 59 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 60 MET CE :methyl 178:sc= -0.286 (180deg=-0.295) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 GLN : amide:sc= -0.0329 X(o=-0.033,f=0) USER MOD Single : A 77 SER OG : rot 10:sc= -1.27! USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 TYR OH : rot 180:sc= -0.129 USER MOD Single : A 90 LYS NZ :NH3+ -142:sc= -0.303 (180deg=-1.04) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -0.318 -1.243 -2.107 1.00 34.14 N ATOM 2 CA GLY A 1 0.222 -0.918 -3.413 1.00 10.43 C ATOM 3 C GLY A 1 0.829 0.470 -3.460 1.00 2.41 C ATOM 4 O GLY A 1 0.908 1.172 -2.451 1.00 32.20 O ATOM 0 H1 GLY A 1 0.244 -2.006 -1.679 1.00 34.14 H new ATOM 0 H2 GLY A 1 -0.281 -0.402 -1.497 1.00 34.14 H new ATOM 0 H3 GLY A 1 -1.305 -1.555 -2.207 1.00 34.14 H new ATOM 0 HA2 GLY A 1 0.981 -1.653 -3.682 1.00 10.43 H new ATOM 0 HA3 GLY A 1 -0.570 -0.990 -4.159 1.00 10.43 H new ATOM 8 N PRO A 2 1.276 0.886 -4.655 1.00 61.11 N ATOM 9 CA PRO A 2 1.889 2.202 -4.858 1.00 23.34 C ATOM 10 C PRO A 2 0.879 3.338 -4.730 1.00 23.31 C ATOM 11 O PRO A 2 -0.212 3.278 -5.296 1.00 25.50 O ATOM 12 CB PRO A 2 2.429 2.125 -6.287 1.00 1.21 C ATOM 13 CG PRO A 2 1.576 1.106 -6.961 1.00 22.33 C ATOM 14 CD PRO A 2 1.215 0.102 -5.901 1.00 12.24 C ATOM 0 HA PRO A 2 2.653 2.416 -4.110 1.00 23.34 H new ATOM 0 HB2 PRO A 2 2.362 3.091 -6.788 1.00 1.21 H new ATOM 0 HB3 PRO A 2 3.479 1.832 -6.298 1.00 1.21 H new ATOM 0 HG2 PRO A 2 0.682 1.564 -7.385 1.00 22.33 H new ATOM 0 HG3 PRO A 2 2.111 0.631 -7.783 1.00 22.33 H new ATOM 0 HD2 PRO A 2 0.222 -0.316 -6.065 1.00 12.24 H new ATOM 0 HD3 PRO A 2 1.914 -0.734 -5.885 1.00 12.24 H new ATOM 22 N SER A 3 1.251 4.372 -3.982 1.00 1.04 N ATOM 23 CA SER A 3 0.376 5.521 -3.778 1.00 22.23 C ATOM 24 C SER A 3 0.620 6.586 -4.842 1.00 2.10 C ATOM 25 O SER A 3 1.093 7.682 -4.542 1.00 30.53 O ATOM 26 CB SER A 3 0.596 6.114 -2.385 1.00 10.40 C ATOM 27 OG SER A 3 0.560 5.107 -1.389 1.00 4.00 O ATOM 0 H SER A 3 2.152 4.438 -3.508 1.00 1.04 H new ATOM 0 HA SER A 3 -0.656 5.180 -3.861 1.00 22.23 H new ATOM 0 HB2 SER A 3 1.557 6.627 -2.353 1.00 10.40 H new ATOM 0 HB3 SER A 3 -0.171 6.861 -2.179 1.00 10.40 H new ATOM 0 HG SER A 3 0.705 5.512 -0.509 1.00 4.00 H new ATOM 33 N ASN A 4 0.294 6.255 -6.087 1.00 61.23 N ATOM 34 CA ASN A 4 0.478 7.182 -7.198 1.00 5.44 C ATOM 35 C ASN A 4 -0.732 8.099 -7.347 1.00 1.33 C ATOM 36 O ASN A 4 -0.591 9.305 -7.549 1.00 1.13 O ATOM 37 CB ASN A 4 0.713 6.412 -8.499 1.00 13.22 C ATOM 38 CG ASN A 4 2.173 6.060 -8.707 1.00 13.33 C ATOM 39 OD1 ASN A 4 2.545 4.887 -8.716 1.00 31.34 O ATOM 40 ND2 ASN A 4 3.008 7.078 -8.876 1.00 2.25 N ATOM 0 H ASN A 4 -0.099 5.352 -6.352 1.00 61.23 H new ATOM 0 HA ASN A 4 1.353 7.796 -6.985 1.00 5.44 H new ATOM 0 HB2 ASN A 4 0.120 5.498 -8.489 1.00 13.22 H new ATOM 0 HB3 ASN A 4 0.363 7.010 -9.340 1.00 13.22 H new ATOM 0 HD21 ASN A 4 4.002 6.903 -9.021 1.00 2.25 H new ATOM 0 HD22 ASN A 4 2.655 8.035 -8.861 1.00 2.25 H new ATOM 47 N LYS A 5 -1.924 7.518 -7.246 1.00 5.30 N ATOM 48 CA LYS A 5 -3.160 8.282 -7.368 1.00 63.32 C ATOM 49 C LYS A 5 -4.167 7.858 -6.304 1.00 10.20 C ATOM 50 O LYS A 5 -4.049 6.781 -5.719 1.00 14.20 O ATOM 51 CB LYS A 5 -3.763 8.095 -8.762 1.00 34.51 C ATOM 52 CG LYS A 5 -3.372 6.784 -9.423 1.00 24.41 C ATOM 53 CD LYS A 5 -4.006 6.642 -10.797 1.00 22.24 C ATOM 54 CE LYS A 5 -3.270 7.470 -11.838 1.00 42.41 C ATOM 55 NZ LYS A 5 -1.925 6.910 -12.144 1.00 3.21 N ATOM 0 H LYS A 5 -2.059 6.521 -7.080 1.00 5.30 H new ATOM 0 HA LYS A 5 -2.924 9.336 -7.220 1.00 63.32 H new ATOM 0 HB2 LYS A 5 -4.849 8.145 -8.689 1.00 34.51 H new ATOM 0 HB3 LYS A 5 -3.448 8.922 -9.399 1.00 34.51 H new ATOM 0 HG2 LYS A 5 -2.287 6.731 -9.515 1.00 24.41 H new ATOM 0 HG3 LYS A 5 -3.680 5.951 -8.791 1.00 24.41 H new ATOM 0 HD2 LYS A 5 -4.001 5.593 -11.095 1.00 22.24 H new ATOM 0 HD3 LYS A 5 -5.049 6.956 -10.752 1.00 22.24 H new ATOM 0 HE2 LYS A 5 -3.862 7.513 -12.752 1.00 42.41 H new ATOM 0 HE3 LYS A 5 -3.164 8.494 -11.479 1.00 42.41 H new ATOM 0 HZ1 LYS A 5 -1.577 7.311 -13.038 1.00 3.21 H new ATOM 0 HZ2 LYS A 5 -1.266 7.151 -11.377 1.00 3.21 H new ATOM 0 HZ3 LYS A 5 -1.991 5.876 -12.231 1.00 3.21 H new ATOM 69 N ILE A 6 -5.157 8.711 -6.061 1.00 30.11 N ATOM 70 CA ILE A 6 -6.187 8.423 -5.070 1.00 2.04 C ATOM 71 C ILE A 6 -7.506 9.094 -5.435 1.00 43.15 C ATOM 72 O ILE A 6 -7.523 10.165 -6.043 1.00 22.22 O ATOM 73 CB ILE A 6 -5.760 8.886 -3.664 1.00 44.11 C ATOM 74 CG1 ILE A 6 -5.458 10.387 -3.669 1.00 34.11 C ATOM 75 CG2 ILE A 6 -4.548 8.099 -3.192 1.00 23.21 C ATOM 76 CD1 ILE A 6 -5.762 11.067 -2.352 1.00 41.02 C ATOM 0 H ILE A 6 -5.267 9.607 -6.537 1.00 30.11 H new ATOM 0 HA ILE A 6 -6.323 7.342 -5.062 1.00 2.04 H new ATOM 0 HB ILE A 6 -6.581 8.700 -2.971 1.00 44.11 H new ATOM 0 HG12 ILE A 6 -4.406 10.537 -3.912 1.00 34.11 H new ATOM 0 HG13 ILE A 6 -6.039 10.864 -4.458 1.00 34.11 H new ATOM 0 HG21 ILE A 6 -4.259 8.438 -2.197 1.00 23.21 H new ATOM 0 HG22 ILE A 6 -4.795 7.038 -3.156 1.00 23.21 H new ATOM 0 HG23 ILE A 6 -3.720 8.256 -3.884 1.00 23.21 H new ATOM 0 HD11 ILE A 6 -5.525 12.128 -2.427 1.00 41.02 H new ATOM 0 HD12 ILE A 6 -6.820 10.948 -2.116 1.00 41.02 H new ATOM 0 HD13 ILE A 6 -5.161 10.616 -1.562 1.00 41.02 H new ATOM 88 N LYS A 7 -8.610 8.457 -5.062 1.00 11.12 N ATOM 89 CA LYS A 7 -9.936 8.993 -5.348 1.00 13.32 C ATOM 90 C LYS A 7 -10.208 10.243 -4.516 1.00 32.30 C ATOM 91 O LYS A 7 -9.881 10.294 -3.330 1.00 44.14 O ATOM 92 CB LYS A 7 -11.007 7.937 -5.066 1.00 73.42 C ATOM 93 CG LYS A 7 -11.824 7.558 -6.290 1.00 1.14 C ATOM 94 CD LYS A 7 -13.232 7.133 -5.910 1.00 13.24 C ATOM 95 CE LYS A 7 -14.252 8.205 -6.261 1.00 32.11 C ATOM 96 NZ LYS A 7 -15.587 7.917 -5.666 1.00 72.55 N ATOM 0 H LYS A 7 -8.613 7.569 -4.561 1.00 11.12 H new ATOM 0 HA LYS A 7 -9.971 9.265 -6.403 1.00 13.32 H new ATOM 0 HB2 LYS A 7 -10.528 7.043 -4.668 1.00 73.42 H new ATOM 0 HB3 LYS A 7 -11.678 8.310 -4.292 1.00 73.42 H new ATOM 0 HG2 LYS A 7 -11.871 8.405 -6.974 1.00 1.14 H new ATOM 0 HG3 LYS A 7 -11.329 6.746 -6.822 1.00 1.14 H new ATOM 0 HD2 LYS A 7 -13.485 6.206 -6.425 1.00 13.24 H new ATOM 0 HD3 LYS A 7 -13.274 6.925 -4.841 1.00 13.24 H new ATOM 0 HE2 LYS A 7 -13.898 9.173 -5.907 1.00 32.11 H new ATOM 0 HE3 LYS A 7 -14.345 8.277 -7.345 1.00 32.11 H new ATOM 0 HZ1 LYS A 7 -16.319 7.993 -6.401 1.00 72.55 H new ATOM 0 HZ2 LYS A 7 -15.591 6.955 -5.272 1.00 72.55 H new ATOM 0 HZ3 LYS A 7 -15.785 8.602 -4.909 1.00 72.55 H new ATOM 110 N CYS A 8 -10.811 11.247 -5.145 1.00 21.51 N ATOM 111 CA CYS A 8 -11.128 12.495 -4.462 1.00 51.31 C ATOM 112 C CYS A 8 -12.165 13.295 -5.245 1.00 74.41 C ATOM 113 O CYS A 8 -12.452 12.992 -6.403 1.00 3.03 O ATOM 114 CB CYS A 8 -9.862 13.332 -4.270 1.00 71.25 C ATOM 115 SG CYS A 8 -9.412 13.604 -2.540 1.00 62.55 S ATOM 0 H CYS A 8 -11.089 11.220 -6.126 1.00 21.51 H new ATOM 0 HA CYS A 8 -11.545 12.250 -3.485 1.00 51.31 H new ATOM 0 HB2 CYS A 8 -9.033 12.838 -4.777 1.00 71.25 H new ATOM 0 HB3 CYS A 8 -10.001 14.299 -4.754 1.00 71.25 H new ATOM 0 HG CYS A 8 -8.249 14.182 -2.480 1.00 62.55 H new ATOM 121 N SER A 9 -12.727 14.313 -4.603 1.00 10.34 N ATOM 122 CA SER A 9 -13.738 15.153 -5.236 1.00 63.54 C ATOM 123 C SER A 9 -13.401 16.631 -5.066 1.00 42.35 C ATOM 124 O SER A 9 -12.298 16.985 -4.647 1.00 73.45 O ATOM 125 CB SER A 9 -15.118 14.861 -4.644 1.00 50.03 C ATOM 126 OG SER A 9 -15.437 13.485 -4.749 1.00 30.41 O ATOM 0 H SER A 9 -12.500 14.577 -3.644 1.00 10.34 H new ATOM 0 HA SER A 9 -13.751 14.922 -6.301 1.00 63.54 H new ATOM 0 HB2 SER A 9 -15.139 15.164 -3.597 1.00 50.03 H new ATOM 0 HB3 SER A 9 -15.872 15.453 -5.162 1.00 50.03 H new ATOM 0 HG SER A 9 -15.080 13.006 -3.972 1.00 30.41 H new ATOM 132 N HIS A 10 -14.360 17.492 -5.393 1.00 70.24 N ATOM 133 CA HIS A 10 -14.166 18.932 -5.277 1.00 53.42 C ATOM 134 C HIS A 10 -15.479 19.677 -5.505 1.00 64.14 C ATOM 135 O HIS A 10 -16.332 19.228 -6.271 1.00 41.35 O ATOM 136 CB HIS A 10 -13.115 19.410 -6.278 1.00 70.23 C ATOM 137 CG HIS A 10 -13.432 19.050 -7.697 1.00 25.41 C ATOM 138 ND1 HIS A 10 -13.532 17.844 -8.303 1.00 23.22 N flip ATOM 139 CD2 HIS A 10 -13.685 19.990 -8.674 1.00 33.42 C flip ATOM 140 CE1 HIS A 10 -13.844 18.074 -9.620 1.00 45.24 C flip ATOM 141 NE2 HIS A 10 -13.931 19.377 -9.818 1.00 43.23 N flip ATOM 0 H HIS A 10 -15.279 17.217 -5.740 1.00 70.24 H new ATOM 0 HA HIS A 10 -13.817 19.146 -4.267 1.00 53.42 H new ATOM 0 HB2 HIS A 10 -13.017 20.493 -6.200 1.00 70.23 H new ATOM 0 HB3 HIS A 10 -12.149 18.982 -6.010 1.00 70.23 H new ATOM 0 HD1 HIS A 10 -13.400 16.933 -7.863 1.00 23.22 H new ATOM 0 HD2 HIS A 10 -13.682 21.060 -8.527 1.00 33.42 H new ATOM 0 HE1 HIS A 10 -13.994 17.313 -10.372 1.00 45.24 H new ATOM 149 N ILE A 11 -15.632 20.814 -4.836 1.00 30.22 N ATOM 150 CA ILE A 11 -16.840 21.620 -4.967 1.00 74.24 C ATOM 151 C ILE A 11 -16.529 23.105 -4.815 1.00 14.13 C ATOM 152 O ILE A 11 -16.075 23.551 -3.759 1.00 74.34 O ATOM 153 CB ILE A 11 -17.900 21.219 -3.925 1.00 30.44 C ATOM 154 CG1 ILE A 11 -18.420 19.808 -4.209 1.00 43.05 C ATOM 155 CG2 ILE A 11 -19.045 22.221 -3.921 1.00 30.14 C ATOM 156 CD1 ILE A 11 -19.362 19.285 -3.147 1.00 41.13 C ATOM 0 H ILE A 11 -14.935 21.198 -4.198 1.00 30.22 H new ATOM 0 HA ILE A 11 -17.236 21.435 -5.965 1.00 74.24 H new ATOM 0 HB ILE A 11 -17.437 21.222 -2.938 1.00 30.44 H new ATOM 0 HG12 ILE A 11 -18.933 19.805 -5.171 1.00 43.05 H new ATOM 0 HG13 ILE A 11 -17.572 19.128 -4.298 1.00 43.05 H new ATOM 0 HG21 ILE A 11 -19.786 21.924 -3.179 1.00 30.14 H new ATOM 0 HG22 ILE A 11 -18.661 23.211 -3.674 1.00 30.14 H new ATOM 0 HG23 ILE A 11 -19.509 22.247 -4.907 1.00 30.14 H new ATOM 0 HD11 ILE A 11 -19.690 18.281 -3.414 1.00 41.13 H new ATOM 0 HD12 ILE A 11 -18.847 19.255 -2.187 1.00 41.13 H new ATOM 0 HD13 ILE A 11 -20.228 19.942 -3.073 1.00 41.13 H new ATOM 168 N LEU A 12 -16.778 23.867 -5.873 1.00 42.05 N ATOM 169 CA LEU A 12 -16.527 25.304 -5.858 1.00 62.21 C ATOM 170 C LEU A 12 -17.803 26.076 -5.539 1.00 11.42 C ATOM 171 O LEU A 12 -18.857 25.826 -6.125 1.00 65.12 O ATOM 172 CB LEU A 12 -15.966 25.758 -7.207 1.00 11.32 C ATOM 173 CG LEU A 12 -14.442 25.765 -7.331 1.00 43.14 C ATOM 174 CD1 LEU A 12 -13.824 26.677 -6.283 1.00 14.22 C ATOM 175 CD2 LEU A 12 -13.891 24.352 -7.204 1.00 45.44 C ATOM 0 H LEU A 12 -17.154 23.514 -6.753 1.00 42.05 H new ATOM 0 HA LEU A 12 -15.794 25.512 -5.078 1.00 62.21 H new ATOM 0 HB2 LEU A 12 -16.371 25.109 -7.983 1.00 11.32 H new ATOM 0 HB3 LEU A 12 -16.332 26.764 -7.410 1.00 11.32 H new ATOM 0 HG LEU A 12 -14.179 26.150 -8.316 1.00 43.14 H new ATOM 0 HD11 LEU A 12 -12.739 26.669 -6.388 1.00 14.22 H new ATOM 0 HD12 LEU A 12 -14.194 27.693 -6.421 1.00 14.22 H new ATOM 0 HD13 LEU A 12 -14.095 26.324 -5.288 1.00 14.22 H new ATOM 0 HD21 LEU A 12 -12.805 24.375 -7.295 1.00 45.44 H new ATOM 0 HD22 LEU A 12 -14.165 23.940 -6.233 1.00 45.44 H new ATOM 0 HD23 LEU A 12 -14.308 23.727 -7.994 1.00 45.44 H new ATOM 187 N VAL A 13 -17.701 27.019 -4.608 1.00 10.04 N ATOM 188 CA VAL A 13 -18.846 27.831 -4.212 1.00 45.35 C ATOM 189 C VAL A 13 -18.483 29.312 -4.176 1.00 71.11 C ATOM 190 O VAL A 13 -17.375 29.699 -4.548 1.00 14.43 O ATOM 191 CB VAL A 13 -19.383 27.411 -2.831 1.00 41.33 C ATOM 192 CG1 VAL A 13 -19.782 25.943 -2.837 1.00 44.31 C ATOM 193 CG2 VAL A 13 -18.347 27.686 -1.751 1.00 41.45 C ATOM 0 H VAL A 13 -16.837 27.240 -4.113 1.00 10.04 H new ATOM 0 HA VAL A 13 -19.623 27.668 -4.959 1.00 45.35 H new ATOM 0 HB VAL A 13 -20.271 28.003 -2.610 1.00 41.33 H new ATOM 0 HG11 VAL A 13 -20.159 25.664 -1.853 1.00 44.31 H new ATOM 0 HG12 VAL A 13 -20.560 25.780 -3.583 1.00 44.31 H new ATOM 0 HG13 VAL A 13 -18.913 25.331 -3.079 1.00 44.31 H new ATOM 0 HG21 VAL A 13 -18.743 27.383 -0.782 1.00 41.45 H new ATOM 0 HG22 VAL A 13 -17.440 27.121 -1.965 1.00 41.45 H new ATOM 0 HG23 VAL A 13 -18.115 28.751 -1.732 1.00 41.45 H new ATOM 203 N SER A 14 -19.424 30.135 -3.724 1.00 61.55 N ATOM 204 CA SER A 14 -19.205 31.574 -3.642 1.00 53.14 C ATOM 205 C SER A 14 -19.184 32.038 -2.188 1.00 52.44 C ATOM 206 O SER A 14 -18.661 33.107 -1.872 1.00 72.45 O ATOM 207 CB SER A 14 -20.294 32.322 -4.413 1.00 33.13 C ATOM 208 OG SER A 14 -20.349 33.684 -4.026 1.00 1.53 O ATOM 0 H SER A 14 -20.345 29.830 -3.409 1.00 61.55 H new ATOM 0 HA SER A 14 -18.236 31.796 -4.090 1.00 53.14 H new ATOM 0 HB2 SER A 14 -20.099 32.252 -5.483 1.00 33.13 H new ATOM 0 HB3 SER A 14 -21.260 31.850 -4.234 1.00 33.13 H new ATOM 0 HG SER A 14 -21.052 34.140 -4.534 1.00 1.53 H new ATOM 214 N LYS A 15 -19.758 31.226 -1.307 1.00 64.03 N ATOM 215 CA LYS A 15 -19.807 31.550 0.113 1.00 25.23 C ATOM 216 C LYS A 15 -19.381 30.354 0.959 1.00 25.41 C ATOM 217 O LYS A 15 -19.573 29.204 0.564 1.00 11.01 O ATOM 218 CB LYS A 15 -21.217 31.992 0.509 1.00 2.23 C ATOM 219 CG LYS A 15 -22.285 30.953 0.214 1.00 30.01 C ATOM 220 CD LYS A 15 -23.617 31.603 -0.120 1.00 11.13 C ATOM 221 CE LYS A 15 -24.184 32.356 1.074 1.00 12.42 C ATOM 222 NZ LYS A 15 -23.796 33.794 1.058 1.00 33.04 N ATOM 0 H LYS A 15 -20.196 30.338 -1.552 1.00 64.03 H new ATOM 0 HA LYS A 15 -19.112 32.369 0.297 1.00 25.23 H new ATOM 0 HB2 LYS A 15 -21.231 32.223 1.574 1.00 2.23 H new ATOM 0 HB3 LYS A 15 -21.462 32.913 -0.020 1.00 2.23 H new ATOM 0 HG2 LYS A 15 -21.965 30.327 -0.619 1.00 30.01 H new ATOM 0 HG3 LYS A 15 -22.405 30.298 1.077 1.00 30.01 H new ATOM 0 HD2 LYS A 15 -23.489 32.289 -0.957 1.00 11.13 H new ATOM 0 HD3 LYS A 15 -24.326 30.839 -0.440 1.00 11.13 H new ATOM 0 HE2 LYS A 15 -25.271 32.273 1.073 1.00 12.42 H new ATOM 0 HE3 LYS A 15 -23.830 31.895 1.996 1.00 12.42 H new ATOM 0 HZ1 LYS A 15 -24.546 34.361 1.503 1.00 33.04 H new ATOM 0 HZ2 LYS A 15 -22.908 33.920 1.585 1.00 33.04 H new ATOM 0 HZ3 LYS A 15 -23.662 34.107 0.075 1.00 33.04 H new ATOM 236 N GLN A 16 -18.803 30.633 2.124 1.00 53.32 N ATOM 237 CA GLN A 16 -18.352 29.579 3.024 1.00 71.34 C ATOM 238 C GLN A 16 -19.532 28.763 3.541 1.00 34.40 C ATOM 239 O GLN A 16 -19.384 27.591 3.891 1.00 42.41 O ATOM 240 CB GLN A 16 -17.578 30.179 4.199 1.00 52.33 C ATOM 241 CG GLN A 16 -16.114 30.449 3.890 1.00 70.31 C ATOM 242 CD GLN A 16 -15.236 30.384 5.123 1.00 5.21 C ATOM 243 OE1 GLN A 16 -14.946 29.303 5.637 1.00 45.14 O ATOM 244 NE2 GLN A 16 -14.807 31.544 5.606 1.00 1.20 N ATOM 0 H GLN A 16 -18.637 31.580 2.466 1.00 53.32 H new ATOM 0 HA GLN A 16 -17.692 28.916 2.464 1.00 71.34 H new ATOM 0 HB2 GLN A 16 -18.055 31.112 4.499 1.00 52.33 H new ATOM 0 HB3 GLN A 16 -17.642 29.500 5.050 1.00 52.33 H new ATOM 0 HG2 GLN A 16 -15.761 29.722 3.159 1.00 70.31 H new ATOM 0 HG3 GLN A 16 -16.019 31.434 3.432 1.00 70.31 H new ATOM 0 HE21 GLN A 16 -15.072 32.416 5.148 1.00 1.20 H new ATOM 0 HE22 GLN A 16 -14.213 31.563 6.435 1.00 1.20 H new ATOM 253 N SER A 17 -20.704 29.389 3.587 1.00 30.42 N ATOM 254 CA SER A 17 -21.909 28.721 4.066 1.00 43.14 C ATOM 255 C SER A 17 -22.257 27.528 3.180 1.00 5.31 C ATOM 256 O SER A 17 -23.019 26.648 3.579 1.00 51.23 O ATOM 257 CB SER A 17 -23.081 29.703 4.102 1.00 50.33 C ATOM 258 OG SER A 17 -23.769 29.721 2.864 1.00 53.12 O ATOM 0 H SER A 17 -20.845 30.357 3.299 1.00 30.42 H new ATOM 0 HA SER A 17 -21.717 28.358 5.076 1.00 43.14 H new ATOM 0 HB2 SER A 17 -23.769 29.424 4.900 1.00 50.33 H new ATOM 0 HB3 SER A 17 -22.714 30.703 4.333 1.00 50.33 H new ATOM 0 HG SER A 17 -24.617 30.201 2.968 1.00 53.12 H new ATOM 264 N GLU A 18 -21.692 27.507 1.977 1.00 30.22 N ATOM 265 CA GLU A 18 -21.943 26.424 1.035 1.00 70.41 C ATOM 266 C GLU A 18 -20.780 25.435 1.019 1.00 32.13 C ATOM 267 O GLU A 18 -20.982 24.222 1.048 1.00 11.21 O ATOM 268 CB GLU A 18 -22.170 26.982 -0.371 1.00 11.31 C ATOM 269 CG GLU A 18 -23.440 27.806 -0.500 1.00 52.11 C ATOM 270 CD GLU A 18 -24.684 26.947 -0.614 1.00 72.33 C ATOM 271 OE1 GLU A 18 -24.937 26.145 0.309 1.00 12.22 O ATOM 272 OE2 GLU A 18 -25.405 27.074 -1.626 1.00 41.31 O ATOM 0 H GLU A 18 -21.058 28.228 1.632 1.00 30.22 H new ATOM 0 HA GLU A 18 -22.841 25.898 1.359 1.00 70.41 H new ATOM 0 HB2 GLU A 18 -21.316 27.599 -0.650 1.00 11.31 H new ATOM 0 HB3 GLU A 18 -22.210 26.154 -1.079 1.00 11.31 H new ATOM 0 HG2 GLU A 18 -23.533 28.461 0.366 1.00 52.11 H new ATOM 0 HG3 GLU A 18 -23.365 28.448 -1.378 1.00 52.11 H new ATOM 279 N ALA A 19 -19.563 25.965 0.971 1.00 24.44 N ATOM 280 CA ALA A 19 -18.367 25.131 0.953 1.00 3.10 C ATOM 281 C ALA A 19 -18.195 24.388 2.274 1.00 71.52 C ATOM 282 O ALA A 19 -17.971 23.176 2.292 1.00 52.32 O ATOM 283 CB ALA A 19 -17.138 25.977 0.659 1.00 44.41 C ATOM 0 H ALA A 19 -19.379 26.968 0.944 1.00 24.44 H new ATOM 0 HA ALA A 19 -18.483 24.390 0.162 1.00 3.10 H new ATOM 0 HB1 ALA A 19 -16.253 25.341 0.649 1.00 44.41 H new ATOM 0 HB2 ALA A 19 -17.251 26.458 -0.313 1.00 44.41 H new ATOM 0 HB3 ALA A 19 -17.028 26.739 1.430 1.00 44.41 H new ATOM 289 N LEU A 20 -18.303 25.120 3.377 1.00 4.11 N ATOM 290 CA LEU A 20 -18.159 24.530 4.703 1.00 21.43 C ATOM 291 C LEU A 20 -19.360 23.653 5.042 1.00 30.32 C ATOM 292 O LEU A 20 -19.295 22.815 5.941 1.00 70.24 O ATOM 293 CB LEU A 20 -18.000 25.627 5.757 1.00 12.24 C ATOM 294 CG LEU A 20 -17.276 25.224 7.043 1.00 41.01 C ATOM 295 CD1 LEU A 20 -15.849 24.797 6.740 1.00 23.22 C ATOM 296 CD2 LEU A 20 -17.292 26.369 8.045 1.00 52.15 C ATOM 0 H LEU A 20 -18.490 26.123 3.379 1.00 4.11 H new ATOM 0 HA LEU A 20 -17.266 23.906 4.701 1.00 21.43 H new ATOM 0 HB2 LEU A 20 -17.461 26.460 5.306 1.00 12.24 H new ATOM 0 HB3 LEU A 20 -18.991 25.995 6.022 1.00 12.24 H new ATOM 0 HG LEU A 20 -17.801 24.376 7.483 1.00 41.01 H new ATOM 0 HD11 LEU A 20 -15.349 24.514 7.666 1.00 23.22 H new ATOM 0 HD12 LEU A 20 -15.861 23.946 6.059 1.00 23.22 H new ATOM 0 HD13 LEU A 20 -15.312 25.625 6.277 1.00 23.22 H new ATOM 0 HD21 LEU A 20 -16.773 26.065 8.954 1.00 52.15 H new ATOM 0 HD22 LEU A 20 -16.792 27.236 7.614 1.00 52.15 H new ATOM 0 HD23 LEU A 20 -18.323 26.627 8.286 1.00 52.15 H new ATOM 308 N ALA A 21 -20.455 23.852 4.316 1.00 62.41 N ATOM 309 CA ALA A 21 -21.669 23.076 4.537 1.00 41.14 C ATOM 310 C ALA A 21 -21.525 21.662 3.986 1.00 73.01 C ATOM 311 O ALA A 21 -22.399 20.817 4.184 1.00 51.41 O ATOM 312 CB ALA A 21 -22.864 23.774 3.902 1.00 45.11 C ATOM 0 H ALA A 21 -20.526 24.544 3.570 1.00 62.41 H new ATOM 0 HA ALA A 21 -21.834 23.003 5.612 1.00 41.14 H new ATOM 0 HB1 ALA A 21 -23.764 23.184 4.075 1.00 45.11 H new ATOM 0 HB2 ALA A 21 -22.987 24.762 4.347 1.00 45.11 H new ATOM 0 HB3 ALA A 21 -22.698 23.877 2.830 1.00 45.11 H new ATOM 318 N ILE A 22 -20.419 21.411 3.292 1.00 14.34 N ATOM 319 CA ILE A 22 -20.163 20.099 2.713 1.00 4.11 C ATOM 320 C ILE A 22 -19.799 19.084 3.792 1.00 12.00 C ATOM 321 O ILE A 22 -20.011 17.883 3.624 1.00 3.21 O ATOM 322 CB ILE A 22 -19.028 20.155 1.674 1.00 74.32 C ATOM 323 CG1 ILE A 22 -19.391 21.120 0.543 1.00 65.23 C ATOM 324 CG2 ILE A 22 -18.747 18.765 1.122 1.00 23.10 C ATOM 325 CD1 ILE A 22 -20.677 20.763 -0.167 1.00 72.41 C ATOM 0 H ILE A 22 -19.687 22.099 3.118 1.00 14.34 H new ATOM 0 HA ILE A 22 -21.083 19.787 2.219 1.00 4.11 H new ATOM 0 HB ILE A 22 -18.125 20.520 2.162 1.00 74.32 H new ATOM 0 HG12 ILE A 22 -19.478 22.127 0.950 1.00 65.23 H new ATOM 0 HG13 ILE A 22 -18.578 21.138 -0.183 1.00 65.23 H new ATOM 0 HG21 ILE A 22 -17.942 18.821 0.389 1.00 23.10 H new ATOM 0 HG22 ILE A 22 -18.451 18.103 1.936 1.00 23.10 H new ATOM 0 HG23 ILE A 22 -19.646 18.374 0.645 1.00 23.10 H new ATOM 0 HD11 ILE A 22 -20.871 21.490 -0.956 1.00 72.41 H new ATOM 0 HD12 ILE A 22 -20.587 19.768 -0.604 1.00 72.41 H new ATOM 0 HD13 ILE A 22 -21.501 20.773 0.546 1.00 72.41 H new ATOM 337 N MET A 23 -19.253 19.575 4.899 1.00 51.02 N ATOM 338 CA MET A 23 -18.864 18.711 6.007 1.00 64.22 C ATOM 339 C MET A 23 -19.959 18.657 7.067 1.00 2.44 C ATOM 340 O MET A 23 -19.927 17.815 7.964 1.00 45.35 O ATOM 341 CB MET A 23 -17.557 19.204 6.631 1.00 24.53 C ATOM 342 CG MET A 23 -17.574 20.681 6.989 1.00 50.11 C ATOM 343 SD MET A 23 -16.116 21.187 7.922 1.00 62.33 S ATOM 344 CE MET A 23 -16.807 22.475 8.958 1.00 63.35 C ATOM 0 H MET A 23 -19.070 20.567 5.053 1.00 51.02 H new ATOM 0 HA MET A 23 -18.715 17.705 5.615 1.00 64.22 H new ATOM 0 HB2 MET A 23 -17.351 18.623 7.530 1.00 24.53 H new ATOM 0 HB3 MET A 23 -16.739 19.016 5.936 1.00 24.53 H new ATOM 0 HG2 MET A 23 -17.639 21.272 6.075 1.00 50.11 H new ATOM 0 HG3 MET A 23 -18.468 20.899 7.573 1.00 50.11 H new ATOM 0 HE1 MET A 23 -16.158 23.350 8.932 1.00 63.35 H new ATOM 0 HE2 MET A 23 -17.797 22.746 8.590 1.00 63.35 H new ATOM 0 HE3 MET A 23 -16.887 22.113 9.983 1.00 63.35 H new ATOM 354 N GLU A 24 -20.926 19.563 6.958 1.00 73.15 N ATOM 355 CA GLU A 24 -22.030 19.618 7.909 1.00 41.11 C ATOM 356 C GLU A 24 -23.270 18.931 7.344 1.00 41.44 C ATOM 357 O GLU A 24 -23.932 18.154 8.032 1.00 43.52 O ATOM 358 CB GLU A 24 -22.355 21.071 8.262 1.00 13.11 C ATOM 359 CG GLU A 24 -21.134 21.974 8.307 1.00 10.23 C ATOM 360 CD GLU A 24 -21.198 22.986 9.436 1.00 62.42 C ATOM 361 OE1 GLU A 24 -22.050 23.896 9.369 1.00 4.31 O ATOM 362 OE2 GLU A 24 -20.396 22.865 10.385 1.00 4.44 O ATOM 0 H GLU A 24 -20.967 20.268 6.222 1.00 73.15 H new ATOM 0 HA GLU A 24 -21.724 19.091 8.813 1.00 41.11 H new ATOM 0 HB2 GLU A 24 -23.061 21.465 7.531 1.00 13.11 H new ATOM 0 HB3 GLU A 24 -22.852 21.098 9.232 1.00 13.11 H new ATOM 0 HG2 GLU A 24 -20.239 21.363 8.422 1.00 10.23 H new ATOM 0 HG3 GLU A 24 -21.041 22.500 7.357 1.00 10.23 H new ATOM 369 N LYS A 25 -23.580 19.225 6.084 1.00 23.04 N ATOM 370 CA LYS A 25 -24.739 18.636 5.425 1.00 41.35 C ATOM 371 C LYS A 25 -24.648 17.114 5.419 1.00 25.13 C ATOM 372 O LYS A 25 -25.565 16.425 5.869 1.00 54.12 O ATOM 373 CB LYS A 25 -24.852 19.155 3.989 1.00 24.23 C ATOM 374 CG LYS A 25 -25.309 20.602 3.900 1.00 65.42 C ATOM 375 CD LYS A 25 -26.823 20.710 3.914 1.00 13.12 C ATOM 376 CE LYS A 25 -27.420 20.370 2.557 1.00 21.31 C ATOM 377 NZ LYS A 25 -27.517 21.568 1.678 1.00 54.35 N ATOM 0 H LYS A 25 -23.044 19.867 5.500 1.00 23.04 H new ATOM 0 HA LYS A 25 -25.629 18.927 5.983 1.00 41.35 H new ATOM 0 HB2 LYS A 25 -23.883 19.058 3.499 1.00 24.23 H new ATOM 0 HB3 LYS A 25 -25.552 18.527 3.438 1.00 24.23 H new ATOM 0 HG2 LYS A 25 -24.895 21.167 4.735 1.00 65.42 H new ATOM 0 HG3 LYS A 25 -24.920 21.052 2.987 1.00 65.42 H new ATOM 0 HD2 LYS A 25 -27.230 20.038 4.670 1.00 13.12 H new ATOM 0 HD3 LYS A 25 -27.114 21.722 4.197 1.00 13.12 H new ATOM 0 HE2 LYS A 25 -26.807 19.611 2.070 1.00 21.31 H new ATOM 0 HE3 LYS A 25 -28.412 19.939 2.694 1.00 21.31 H new ATOM 0 HZ1 LYS A 25 -27.929 21.295 0.763 1.00 54.35 H new ATOM 0 HZ2 LYS A 25 -28.122 22.282 2.130 1.00 54.35 H new ATOM 0 HZ3 LYS A 25 -26.568 21.965 1.526 1.00 54.35 H new ATOM 391 N LEU A 26 -23.537 16.593 4.911 1.00 2.50 N ATOM 392 CA LEU A 26 -23.325 15.152 4.850 1.00 62.45 C ATOM 393 C LEU A 26 -23.386 14.532 6.242 1.00 44.13 C ATOM 394 O LEU A 26 -23.703 13.353 6.396 1.00 13.13 O ATOM 395 CB LEU A 26 -21.975 14.841 4.199 1.00 11.51 C ATOM 396 CG LEU A 26 -21.745 15.441 2.812 1.00 62.02 C ATOM 397 CD1 LEU A 26 -20.417 14.969 2.240 1.00 41.33 C ATOM 398 CD2 LEU A 26 -22.889 15.078 1.877 1.00 53.12 C ATOM 0 H LEU A 26 -22.768 17.148 4.535 1.00 2.50 H new ATOM 0 HA LEU A 26 -24.121 14.719 4.245 1.00 62.45 H new ATOM 0 HB2 LEU A 26 -21.185 15.194 4.861 1.00 11.51 H new ATOM 0 HB3 LEU A 26 -21.870 13.758 4.127 1.00 11.51 H new ATOM 0 HG LEU A 26 -21.711 16.526 2.908 1.00 62.02 H new ATOM 0 HD11 LEU A 26 -20.270 15.406 1.252 1.00 41.33 H new ATOM 0 HD12 LEU A 26 -19.606 15.280 2.899 1.00 41.33 H new ATOM 0 HD13 LEU A 26 -20.422 13.882 2.159 1.00 41.33 H new ATOM 0 HD21 LEU A 26 -22.708 15.514 0.894 1.00 53.12 H new ATOM 0 HD22 LEU A 26 -22.955 13.994 1.787 1.00 53.12 H new ATOM 0 HD23 LEU A 26 -23.825 15.466 2.279 1.00 53.12 H new ATOM 410 N LYS A 27 -23.081 15.336 7.255 1.00 10.43 N ATOM 411 CA LYS A 27 -23.103 14.870 8.637 1.00 74.43 C ATOM 412 C LYS A 27 -24.469 14.291 8.992 1.00 34.24 C ATOM 413 O LYS A 27 -24.585 13.457 9.891 1.00 13.52 O ATOM 414 CB LYS A 27 -22.761 16.017 9.589 1.00 4.43 C ATOM 415 CG LYS A 27 -22.160 15.555 10.906 1.00 11.23 C ATOM 416 CD LYS A 27 -21.435 16.685 11.616 1.00 45.44 C ATOM 417 CE LYS A 27 -20.340 16.158 12.530 1.00 0.13 C ATOM 418 NZ LYS A 27 -20.901 15.505 13.746 1.00 43.31 N ATOM 0 H LYS A 27 -22.815 16.315 7.145 1.00 10.43 H new ATOM 0 HA LYS A 27 -22.355 14.084 8.742 1.00 74.43 H new ATOM 0 HB2 LYS A 27 -22.060 16.691 9.096 1.00 4.43 H new ATOM 0 HB3 LYS A 27 -23.665 16.591 9.793 1.00 4.43 H new ATOM 0 HG2 LYS A 27 -22.949 15.166 11.550 1.00 11.23 H new ATOM 0 HG3 LYS A 27 -21.466 14.735 10.722 1.00 11.23 H new ATOM 0 HD2 LYS A 27 -21.001 17.360 10.879 1.00 45.44 H new ATOM 0 HD3 LYS A 27 -22.149 17.267 12.200 1.00 45.44 H new ATOM 0 HE2 LYS A 27 -19.724 15.443 11.985 1.00 0.13 H new ATOM 0 HE3 LYS A 27 -19.688 16.979 12.827 1.00 0.13 H new ATOM 0 HZ1 LYS A 27 -20.124 15.159 14.344 1.00 43.31 H new ATOM 0 HZ2 LYS A 27 -21.468 16.194 14.280 1.00 43.31 H new ATOM 0 HZ3 LYS A 27 -21.503 14.705 13.464 1.00 43.31 H new ATOM 432 N SER A 28 -25.500 14.737 8.282 1.00 61.04 N ATOM 433 CA SER A 28 -26.858 14.264 8.524 1.00 33.32 C ATOM 434 C SER A 28 -27.111 12.944 7.803 1.00 50.34 C ATOM 435 O SER A 28 -27.978 12.164 8.196 1.00 25.24 O ATOM 436 CB SER A 28 -27.875 15.311 8.067 1.00 45.14 C ATOM 437 OG SER A 28 -27.671 16.545 8.734 1.00 10.22 O ATOM 0 H SER A 28 -25.421 15.426 7.534 1.00 61.04 H new ATOM 0 HA SER A 28 -26.973 14.100 9.595 1.00 33.32 H new ATOM 0 HB2 SER A 28 -27.792 15.458 6.990 1.00 45.14 H new ATOM 0 HB3 SER A 28 -28.885 14.951 8.262 1.00 45.14 H new ATOM 0 HG SER A 28 -28.332 17.198 8.423 1.00 10.22 H new ATOM 443 N GLY A 29 -26.347 12.700 6.742 1.00 45.52 N ATOM 444 CA GLY A 29 -26.502 11.475 5.981 1.00 53.45 C ATOM 445 C GLY A 29 -26.805 11.735 4.518 1.00 54.12 C ATOM 446 O GLY A 29 -27.475 10.936 3.865 1.00 50.11 O ATOM 0 H GLY A 29 -25.623 13.330 6.396 1.00 45.52 H new ATOM 0 HA2 GLY A 29 -25.590 10.884 6.060 1.00 53.45 H new ATOM 0 HA3 GLY A 29 -27.306 10.880 6.415 1.00 53.45 H new ATOM 450 N GLU A 30 -26.311 12.857 4.004 1.00 62.44 N ATOM 451 CA GLU A 30 -26.535 13.221 2.609 1.00 30.33 C ATOM 452 C GLU A 30 -25.443 12.642 1.714 1.00 12.51 C ATOM 453 O GLU A 30 -24.663 11.790 2.138 1.00 72.32 O ATOM 454 CB GLU A 30 -26.582 14.742 2.457 1.00 23.01 C ATOM 455 CG GLU A 30 -27.356 15.440 3.563 1.00 51.55 C ATOM 456 CD GLU A 30 -28.826 15.069 3.572 1.00 61.14 C ATOM 457 OE1 GLU A 30 -29.481 15.212 2.519 1.00 11.10 O ATOM 458 OE2 GLU A 30 -29.320 14.632 4.633 1.00 41.43 O ATOM 0 H GLU A 30 -25.754 13.529 4.532 1.00 62.44 H new ATOM 0 HA GLU A 30 -27.493 12.803 2.300 1.00 30.33 H new ATOM 0 HB2 GLU A 30 -25.563 15.129 2.438 1.00 23.01 H new ATOM 0 HB3 GLU A 30 -27.034 14.989 1.497 1.00 23.01 H new ATOM 0 HG2 GLU A 30 -26.915 15.184 4.527 1.00 51.55 H new ATOM 0 HG3 GLU A 30 -27.258 16.519 3.444 1.00 51.55 H new ATOM 465 N LYS A 31 -25.394 13.112 0.472 1.00 11.22 N ATOM 466 CA LYS A 31 -24.399 12.644 -0.485 1.00 2.31 C ATOM 467 C LYS A 31 -23.567 13.807 -1.017 1.00 42.33 C ATOM 468 O LYS A 31 -24.097 14.878 -1.314 1.00 72.43 O ATOM 469 CB LYS A 31 -25.080 11.917 -1.646 1.00 30.03 C ATOM 470 CG LYS A 31 -24.141 11.025 -2.440 1.00 45.24 C ATOM 471 CD LYS A 31 -24.243 9.574 -1.999 1.00 44.54 C ATOM 472 CE LYS A 31 -23.254 9.260 -0.887 1.00 33.24 C ATOM 473 NZ LYS A 31 -21.846 9.288 -1.371 1.00 61.04 N ATOM 0 H LYS A 31 -26.033 13.817 0.105 1.00 11.22 H new ATOM 0 HA LYS A 31 -23.734 11.950 0.030 1.00 2.31 H new ATOM 0 HB2 LYS A 31 -25.898 11.312 -1.255 1.00 30.03 H new ATOM 0 HB3 LYS A 31 -25.521 12.654 -2.317 1.00 30.03 H new ATOM 0 HG2 LYS A 31 -24.377 11.101 -3.502 1.00 45.24 H new ATOM 0 HG3 LYS A 31 -23.115 11.373 -2.315 1.00 45.24 H new ATOM 0 HD2 LYS A 31 -25.257 9.367 -1.655 1.00 44.54 H new ATOM 0 HD3 LYS A 31 -24.055 8.920 -2.850 1.00 44.54 H new ATOM 0 HE2 LYS A 31 -23.375 9.982 -0.079 1.00 33.24 H new ATOM 0 HE3 LYS A 31 -23.475 8.277 -0.471 1.00 33.24 H new ATOM 0 HZ1 LYS A 31 -21.248 8.728 -0.731 1.00 61.04 H new ATOM 0 HZ2 LYS A 31 -21.800 8.885 -2.329 1.00 61.04 H new ATOM 0 HZ3 LYS A 31 -21.506 10.270 -1.392 1.00 61.04 H new ATOM 487 N PHE A 32 -22.261 13.589 -1.137 1.00 74.03 N ATOM 488 CA PHE A 32 -21.357 14.619 -1.634 1.00 61.22 C ATOM 489 C PHE A 32 -21.791 15.104 -3.014 1.00 61.32 C ATOM 490 O PHE A 32 -21.897 16.305 -3.258 1.00 10.52 O ATOM 491 CB PHE A 32 -19.925 14.082 -1.697 1.00 14.51 C ATOM 492 CG PHE A 32 -18.916 15.115 -2.111 1.00 1.21 C ATOM 493 CD1 PHE A 32 -18.768 15.463 -3.444 1.00 53.35 C ATOM 494 CD2 PHE A 32 -18.115 15.738 -1.167 1.00 61.41 C ATOM 495 CE1 PHE A 32 -17.841 16.414 -3.828 1.00 74.44 C ATOM 496 CE2 PHE A 32 -17.187 16.689 -1.546 1.00 23.20 C ATOM 497 CZ PHE A 32 -17.048 17.026 -2.878 1.00 2.42 C ATOM 0 H PHE A 32 -21.806 12.708 -0.897 1.00 74.03 H new ATOM 0 HA PHE A 32 -21.392 15.462 -0.944 1.00 61.22 H new ATOM 0 HB2 PHE A 32 -19.650 13.688 -0.719 1.00 14.51 H new ATOM 0 HB3 PHE A 32 -19.888 13.248 -2.398 1.00 14.51 H new ATOM 0 HD1 PHE A 32 -19.384 14.986 -4.192 1.00 53.35 H new ATOM 0 HD2 PHE A 32 -18.217 15.477 -0.124 1.00 61.41 H new ATOM 0 HE1 PHE A 32 -17.737 16.678 -4.870 1.00 74.44 H new ATOM 0 HE2 PHE A 32 -16.570 17.169 -0.800 1.00 23.20 H new ATOM 0 HZ PHE A 32 -16.321 17.767 -3.176 1.00 2.42 H new ATOM 507 N GLY A 33 -22.041 14.159 -3.916 1.00 31.34 N ATOM 508 CA GLY A 33 -22.461 14.509 -5.261 1.00 24.41 C ATOM 509 C GLY A 33 -23.725 15.344 -5.275 1.00 41.32 C ATOM 510 O GLY A 33 -23.867 16.255 -6.091 1.00 43.13 O ATOM 0 H GLY A 33 -21.960 13.158 -3.739 1.00 31.34 H new ATOM 0 HA2 GLY A 33 -21.661 15.059 -5.757 1.00 24.41 H new ATOM 0 HA3 GLY A 33 -22.625 13.597 -5.836 1.00 24.41 H new ATOM 514 N LYS A 34 -24.647 15.035 -4.370 1.00 2.51 N ATOM 515 CA LYS A 34 -25.907 15.765 -4.281 1.00 22.43 C ATOM 516 C LYS A 34 -25.659 17.254 -4.070 1.00 13.41 C ATOM 517 O LYS A 34 -26.505 18.087 -4.400 1.00 70.21 O ATOM 518 CB LYS A 34 -26.760 15.211 -3.137 1.00 32.33 C ATOM 519 CG LYS A 34 -27.786 14.184 -3.584 1.00 41.33 C ATOM 520 CD LYS A 34 -28.918 14.832 -4.364 1.00 34.11 C ATOM 521 CE LYS A 34 -30.142 13.930 -4.421 1.00 14.53 C ATOM 522 NZ LYS A 34 -31.226 14.519 -5.255 1.00 72.04 N ATOM 0 H LYS A 34 -24.546 14.284 -3.687 1.00 2.51 H new ATOM 0 HA LYS A 34 -26.442 15.634 -5.222 1.00 22.43 H new ATOM 0 HB2 LYS A 34 -26.105 14.757 -2.393 1.00 32.33 H new ATOM 0 HB3 LYS A 34 -27.275 16.037 -2.646 1.00 32.33 H new ATOM 0 HG2 LYS A 34 -27.301 13.429 -4.203 1.00 41.33 H new ATOM 0 HG3 LYS A 34 -28.191 13.669 -2.713 1.00 41.33 H new ATOM 0 HD2 LYS A 34 -29.185 15.781 -3.899 1.00 34.11 H new ATOM 0 HD3 LYS A 34 -28.582 15.056 -5.376 1.00 34.11 H new ATOM 0 HE2 LYS A 34 -29.859 12.959 -4.826 1.00 14.53 H new ATOM 0 HE3 LYS A 34 -30.514 13.758 -3.411 1.00 14.53 H new ATOM 0 HZ1 LYS A 34 -32.042 13.875 -5.269 1.00 72.04 H new ATOM 0 HZ2 LYS A 34 -31.514 15.434 -4.854 1.00 72.04 H new ATOM 0 HZ3 LYS A 34 -30.880 14.660 -6.225 1.00 72.04 H new ATOM 536 N LEU A 35 -24.496 17.585 -3.520 1.00 65.45 N ATOM 537 CA LEU A 35 -24.136 18.975 -3.268 1.00 23.11 C ATOM 538 C LEU A 35 -23.184 19.495 -4.339 1.00 71.34 C ATOM 539 O LEU A 35 -23.139 20.694 -4.615 1.00 61.44 O ATOM 540 CB LEU A 35 -23.492 19.113 -1.886 1.00 41.14 C ATOM 541 CG LEU A 35 -24.097 18.254 -0.775 1.00 70.23 C ATOM 542 CD1 LEU A 35 -23.421 18.549 0.554 1.00 11.44 C ATOM 543 CD2 LEU A 35 -25.597 18.488 -0.678 1.00 14.24 C ATOM 0 H LEU A 35 -23.786 16.909 -3.240 1.00 65.45 H new ATOM 0 HA LEU A 35 -25.048 19.571 -3.299 1.00 23.11 H new ATOM 0 HB2 LEU A 35 -22.434 18.866 -1.974 1.00 41.14 H new ATOM 0 HB3 LEU A 35 -23.551 20.158 -1.583 1.00 41.14 H new ATOM 0 HG LEU A 35 -23.929 17.205 -1.019 1.00 70.23 H new ATOM 0 HD11 LEU A 35 -23.864 17.929 1.333 1.00 11.44 H new ATOM 0 HD12 LEU A 35 -22.356 18.329 0.477 1.00 11.44 H new ATOM 0 HD13 LEU A 35 -23.557 19.601 0.806 1.00 11.44 H new ATOM 0 HD21 LEU A 35 -26.011 17.869 0.118 1.00 14.24 H new ATOM 0 HD22 LEU A 35 -25.788 19.538 -0.457 1.00 14.24 H new ATOM 0 HD23 LEU A 35 -26.068 18.225 -1.625 1.00 14.24 H new ATOM 555 N ALA A 36 -22.425 18.585 -4.941 1.00 42.45 N ATOM 556 CA ALA A 36 -21.477 18.952 -5.986 1.00 71.43 C ATOM 557 C ALA A 36 -22.191 19.217 -7.307 1.00 73.21 C ATOM 558 O ALA A 36 -21.651 19.876 -8.195 1.00 53.24 O ATOM 559 CB ALA A 36 -20.434 17.857 -6.159 1.00 42.31 C ATOM 0 H ALA A 36 -22.448 17.589 -4.723 1.00 42.45 H new ATOM 0 HA ALA A 36 -20.977 19.872 -5.682 1.00 71.43 H new ATOM 0 HB1 ALA A 36 -19.732 18.143 -6.942 1.00 42.31 H new ATOM 0 HB2 ALA A 36 -19.895 17.717 -5.222 1.00 42.31 H new ATOM 0 HB3 ALA A 36 -20.927 16.925 -6.437 1.00 42.31 H new ATOM 565 N LYS A 37 -23.408 18.697 -7.432 1.00 13.44 N ATOM 566 CA LYS A 37 -24.197 18.879 -8.643 1.00 72.13 C ATOM 567 C LYS A 37 -24.969 20.194 -8.600 1.00 11.40 C ATOM 568 O LYS A 37 -25.748 20.497 -9.502 1.00 61.13 O ATOM 569 CB LYS A 37 -25.170 17.711 -8.823 1.00 21.33 C ATOM 570 CG LYS A 37 -25.448 17.368 -10.276 1.00 33.12 C ATOM 571 CD LYS A 37 -26.692 16.506 -10.418 1.00 3.24 C ATOM 572 CE LYS A 37 -26.804 15.914 -11.814 1.00 53.52 C ATOM 573 NZ LYS A 37 -28.206 15.536 -12.145 1.00 44.23 N ATOM 0 H LYS A 37 -23.869 18.146 -6.708 1.00 13.44 H new ATOM 0 HA LYS A 37 -23.512 18.909 -9.490 1.00 72.13 H new ATOM 0 HB2 LYS A 37 -24.765 16.832 -8.322 1.00 21.33 H new ATOM 0 HB3 LYS A 37 -26.111 17.954 -8.330 1.00 21.33 H new ATOM 0 HG2 LYS A 37 -25.573 18.286 -10.850 1.00 33.12 H new ATOM 0 HG3 LYS A 37 -24.591 16.843 -10.697 1.00 33.12 H new ATOM 0 HD2 LYS A 37 -26.665 15.702 -9.682 1.00 3.24 H new ATOM 0 HD3 LYS A 37 -27.577 17.105 -10.204 1.00 3.24 H new ATOM 0 HE2 LYS A 37 -26.440 16.636 -12.545 1.00 53.52 H new ATOM 0 HE3 LYS A 37 -26.164 15.035 -11.888 1.00 53.52 H new ATOM 0 HZ1 LYS A 37 -28.240 15.136 -13.105 1.00 44.23 H new ATOM 0 HZ2 LYS A 37 -28.545 14.828 -11.463 1.00 44.23 H new ATOM 0 HZ3 LYS A 37 -28.813 16.379 -12.099 1.00 44.23 H new ATOM 587 N GLU A 38 -24.745 20.971 -7.544 1.00 62.14 N ATOM 588 CA GLU A 38 -25.418 22.254 -7.385 1.00 12.52 C ATOM 589 C GLU A 38 -24.444 23.325 -6.905 1.00 3.53 C ATOM 590 O GLU A 38 -24.234 24.336 -7.575 1.00 51.51 O ATOM 591 CB GLU A 38 -26.580 22.126 -6.397 1.00 25.14 C ATOM 592 CG GLU A 38 -27.625 21.105 -6.815 1.00 1.12 C ATOM 593 CD GLU A 38 -28.721 21.709 -7.671 1.00 21.00 C ATOM 594 OE1 GLU A 38 -28.391 22.359 -8.684 1.00 50.53 O ATOM 595 OE2 GLU A 38 -29.908 21.531 -7.327 1.00 41.22 O ATOM 0 H GLU A 38 -24.103 20.734 -6.787 1.00 62.14 H new ATOM 0 HA GLU A 38 -25.808 22.553 -8.358 1.00 12.52 H new ATOM 0 HB2 GLU A 38 -26.186 21.850 -5.419 1.00 25.14 H new ATOM 0 HB3 GLU A 38 -27.059 23.099 -6.285 1.00 25.14 H new ATOM 0 HG2 GLU A 38 -27.140 20.300 -7.367 1.00 1.12 H new ATOM 0 HG3 GLU A 38 -28.069 20.659 -5.925 1.00 1.12 H new ATOM 602 N LEU A 39 -23.850 23.095 -5.738 1.00 45.45 N ATOM 603 CA LEU A 39 -22.897 24.040 -5.166 1.00 30.23 C ATOM 604 C LEU A 39 -21.744 24.302 -6.130 1.00 43.11 C ATOM 605 O LEU A 39 -21.405 25.452 -6.410 1.00 2.14 O ATOM 606 CB LEU A 39 -22.355 23.508 -3.838 1.00 65.44 C ATOM 607 CG LEU A 39 -23.385 23.299 -2.728 1.00 14.44 C ATOM 608 CD1 LEU A 39 -22.699 22.913 -1.427 1.00 63.33 C ATOM 609 CD2 LEU A 39 -24.224 24.555 -2.537 1.00 73.05 C ATOM 0 H LEU A 39 -24.012 22.263 -5.170 1.00 45.45 H new ATOM 0 HA LEU A 39 -23.419 24.980 -4.988 1.00 30.23 H new ATOM 0 HB2 LEU A 39 -21.856 22.557 -4.027 1.00 65.44 H new ATOM 0 HB3 LEU A 39 -21.595 24.200 -3.475 1.00 65.44 H new ATOM 0 HG LEU A 39 -24.046 22.484 -3.022 1.00 14.44 H new ATOM 0 HD11 LEU A 39 -23.449 22.769 -0.649 1.00 63.33 H new ATOM 0 HD12 LEU A 39 -22.142 21.987 -1.570 1.00 63.33 H new ATOM 0 HD13 LEU A 39 -22.014 23.706 -1.128 1.00 63.33 H new ATOM 0 HD21 LEU A 39 -24.952 24.389 -1.743 1.00 73.05 H new ATOM 0 HD22 LEU A 39 -23.575 25.388 -2.266 1.00 73.05 H new ATOM 0 HD23 LEU A 39 -24.746 24.789 -3.465 1.00 73.05 H new ATOM 621 N SER A 40 -21.147 23.228 -6.636 1.00 61.13 N ATOM 622 CA SER A 40 -20.031 23.341 -7.568 1.00 72.04 C ATOM 623 C SER A 40 -20.377 24.283 -8.717 1.00 45.45 C ATOM 624 O SER A 40 -21.122 23.921 -9.628 1.00 72.01 O ATOM 625 CB SER A 40 -19.657 21.964 -8.118 1.00 65.53 C ATOM 626 OG SER A 40 -18.281 21.906 -8.454 1.00 61.55 O ATOM 0 H SER A 40 -21.417 22.269 -6.416 1.00 61.13 H new ATOM 0 HA SER A 40 -19.178 23.752 -7.028 1.00 72.04 H new ATOM 0 HB2 SER A 40 -19.886 21.198 -7.377 1.00 65.53 H new ATOM 0 HB3 SER A 40 -20.260 21.745 -9.000 1.00 65.53 H new ATOM 0 HG SER A 40 -18.099 21.079 -8.947 1.00 61.55 H new ATOM 632 N ILE A 41 -19.830 25.493 -8.668 1.00 24.01 N ATOM 633 CA ILE A 41 -20.078 26.487 -9.704 1.00 61.34 C ATOM 634 C ILE A 41 -19.289 26.171 -10.969 1.00 65.42 C ATOM 635 O ILE A 41 -19.639 26.621 -12.061 1.00 24.22 O ATOM 636 CB ILE A 41 -19.713 27.904 -9.225 1.00 13.34 C ATOM 637 CG1 ILE A 41 -18.271 27.938 -8.714 1.00 73.51 C ATOM 638 CG2 ILE A 41 -20.677 28.361 -8.138 1.00 65.15 C ATOM 639 CD1 ILE A 41 -17.526 29.199 -9.089 1.00 2.20 C ATOM 0 H ILE A 41 -19.212 25.808 -7.921 1.00 24.01 H new ATOM 0 HA ILE A 41 -21.145 26.452 -9.926 1.00 61.34 H new ATOM 0 HB ILE A 41 -19.796 28.589 -10.069 1.00 13.34 H new ATOM 0 HG12 ILE A 41 -18.276 27.838 -7.629 1.00 73.51 H new ATOM 0 HG13 ILE A 41 -17.733 27.077 -9.110 1.00 73.51 H new ATOM 0 HG21 ILE A 41 -20.406 29.364 -7.810 1.00 65.15 H new ATOM 0 HG22 ILE A 41 -21.693 28.371 -8.533 1.00 65.15 H new ATOM 0 HG23 ILE A 41 -20.623 27.676 -7.292 1.00 65.15 H new ATOM 0 HD11 ILE A 41 -16.511 29.153 -8.694 1.00 2.20 H new ATOM 0 HD12 ILE A 41 -17.489 29.290 -10.175 1.00 2.20 H new ATOM 0 HD13 ILE A 41 -18.040 30.064 -8.670 1.00 2.20 H new ATOM 651 N ASP A 42 -18.221 25.395 -10.816 1.00 31.52 N ATOM 652 CA ASP A 42 -17.382 25.015 -11.947 1.00 51.42 C ATOM 653 C ASP A 42 -18.180 24.214 -12.970 1.00 23.50 C ATOM 654 O ASP A 42 -18.620 23.097 -12.693 1.00 5.22 O ATOM 655 CB ASP A 42 -16.180 24.201 -11.467 1.00 10.14 C ATOM 656 CG ASP A 42 -15.387 23.608 -12.615 1.00 50.23 C ATOM 657 OD1 ASP A 42 -15.487 24.139 -13.740 1.00 71.55 O ATOM 658 OD2 ASP A 42 -14.666 22.614 -12.387 1.00 51.02 O ATOM 0 H ASP A 42 -17.916 25.017 -9.919 1.00 31.52 H new ATOM 0 HA ASP A 42 -17.025 25.927 -12.426 1.00 51.42 H new ATOM 0 HB2 ASP A 42 -15.528 24.839 -10.870 1.00 10.14 H new ATOM 0 HB3 ASP A 42 -16.525 23.399 -10.815 1.00 10.14 H new ATOM 663 N SER A 43 -18.363 24.789 -14.155 1.00 13.44 N ATOM 664 CA SER A 43 -19.112 24.130 -15.217 1.00 44.35 C ATOM 665 C SER A 43 -18.582 22.721 -15.462 1.00 43.01 C ATOM 666 O SER A 43 -19.349 21.791 -15.711 1.00 41.44 O ATOM 667 CB SER A 43 -19.033 24.948 -16.508 1.00 53.34 C ATOM 668 OG SER A 43 -19.849 24.383 -17.520 1.00 64.01 O ATOM 0 H SER A 43 -18.002 25.710 -14.403 1.00 13.44 H new ATOM 0 HA SER A 43 -20.153 24.058 -14.903 1.00 44.35 H new ATOM 0 HB2 SER A 43 -19.348 25.973 -16.313 1.00 53.34 H new ATOM 0 HB3 SER A 43 -18.000 24.992 -16.852 1.00 53.34 H new ATOM 0 HG SER A 43 -19.783 24.924 -18.334 1.00 64.01 H new ATOM 674 N GLY A 44 -17.262 22.570 -15.389 1.00 34.24 N ATOM 675 CA GLY A 44 -16.652 21.271 -15.604 1.00 5.40 C ATOM 676 C GLY A 44 -16.485 20.489 -14.317 1.00 70.53 C ATOM 677 O GLY A 44 -15.434 19.893 -14.077 1.00 11.24 O ATOM 0 H GLY A 44 -16.606 23.324 -15.185 1.00 34.24 H new ATOM 0 HA2 GLY A 44 -17.265 20.696 -16.298 1.00 5.40 H new ATOM 0 HA3 GLY A 44 -15.677 21.404 -16.074 1.00 5.40 H new ATOM 681 N SER A 45 -17.523 20.490 -13.486 1.00 63.34 N ATOM 682 CA SER A 45 -17.484 19.778 -12.214 1.00 41.24 C ATOM 683 C SER A 45 -18.893 19.420 -11.749 1.00 41.34 C ATOM 684 O SER A 45 -19.133 18.320 -11.254 1.00 34.14 O ATOM 685 CB SER A 45 -16.785 20.629 -11.151 1.00 62.21 C ATOM 686 OG SER A 45 -16.767 19.965 -9.899 1.00 5.11 O ATOM 0 H SER A 45 -18.401 20.976 -13.671 1.00 63.34 H new ATOM 0 HA SER A 45 -16.922 18.855 -12.359 1.00 41.24 H new ATOM 0 HB2 SER A 45 -15.764 20.845 -11.467 1.00 62.21 H new ATOM 0 HB3 SER A 45 -17.297 21.586 -11.052 1.00 62.21 H new ATOM 0 HG SER A 45 -15.883 19.568 -9.752 1.00 5.11 H new ATOM 692 N ALA A 46 -19.820 20.358 -11.913 1.00 41.34 N ATOM 693 CA ALA A 46 -21.205 20.143 -11.513 1.00 65.01 C ATOM 694 C ALA A 46 -21.858 19.056 -12.361 1.00 41.54 C ATOM 695 O ALA A 46 -22.933 18.557 -12.029 1.00 41.32 O ATOM 696 CB ALA A 46 -21.991 21.441 -11.616 1.00 73.42 C ATOM 0 H ALA A 46 -19.637 21.275 -12.320 1.00 41.34 H new ATOM 0 HA ALA A 46 -21.211 19.810 -10.475 1.00 65.01 H new ATOM 0 HB1 ALA A 46 -23.024 21.266 -11.314 1.00 73.42 H new ATOM 0 HB2 ALA A 46 -21.544 22.190 -10.962 1.00 73.42 H new ATOM 0 HB3 ALA A 46 -21.969 21.799 -12.645 1.00 73.42 H new ATOM 702 N LYS A 47 -21.203 18.696 -13.459 1.00 65.15 N ATOM 703 CA LYS A 47 -21.719 17.668 -14.356 1.00 63.25 C ATOM 704 C LYS A 47 -21.233 16.285 -13.935 1.00 32.31 C ATOM 705 O LYS A 47 -21.820 15.269 -14.309 1.00 23.12 O ATOM 706 CB LYS A 47 -21.287 17.955 -15.795 1.00 61.35 C ATOM 707 CG LYS A 47 -22.199 17.333 -16.839 1.00 45.35 C ATOM 708 CD LYS A 47 -21.881 17.846 -18.235 1.00 31.13 C ATOM 709 CE LYS A 47 -22.643 19.125 -18.545 1.00 52.53 C ATOM 710 NZ LYS A 47 -24.044 18.846 -18.969 1.00 50.24 N ATOM 0 H LYS A 47 -20.313 19.101 -13.750 1.00 65.15 H new ATOM 0 HA LYS A 47 -22.807 17.684 -14.299 1.00 63.25 H new ATOM 0 HB2 LYS A 47 -21.256 19.034 -15.948 1.00 61.35 H new ATOM 0 HB3 LYS A 47 -20.273 17.583 -15.942 1.00 61.35 H new ATOM 0 HG2 LYS A 47 -22.093 16.248 -16.816 1.00 45.35 H new ATOM 0 HG3 LYS A 47 -23.238 17.557 -16.596 1.00 45.35 H new ATOM 0 HD2 LYS A 47 -20.810 18.029 -18.321 1.00 31.13 H new ATOM 0 HD3 LYS A 47 -22.134 17.083 -18.971 1.00 31.13 H new ATOM 0 HE2 LYS A 47 -22.651 19.766 -17.663 1.00 52.53 H new ATOM 0 HE3 LYS A 47 -22.127 19.673 -19.333 1.00 52.53 H new ATOM 0 HZ1 LYS A 47 -24.531 19.743 -19.171 1.00 50.24 H new ATOM 0 HZ2 LYS A 47 -24.037 18.255 -19.825 1.00 50.24 H new ATOM 0 HZ3 LYS A 47 -24.544 18.345 -18.207 1.00 50.24 H new ATOM 724 N LYS A 48 -20.160 16.252 -13.153 1.00 11.10 N ATOM 725 CA LYS A 48 -19.597 14.994 -12.677 1.00 72.14 C ATOM 726 C LYS A 48 -19.667 14.906 -11.157 1.00 33.32 C ATOM 727 O LYS A 48 -18.862 14.222 -10.527 1.00 1.00 O ATOM 728 CB LYS A 48 -18.145 14.854 -13.140 1.00 50.33 C ATOM 729 CG LYS A 48 -17.338 16.135 -13.009 1.00 73.41 C ATOM 730 CD LYS A 48 -17.304 16.908 -14.317 1.00 31.14 C ATOM 731 CE LYS A 48 -16.047 16.597 -15.115 1.00 22.14 C ATOM 732 NZ LYS A 48 -16.179 15.329 -15.884 1.00 72.51 N ATOM 0 H LYS A 48 -19.662 17.083 -12.835 1.00 11.10 H new ATOM 0 HA LYS A 48 -20.187 14.179 -13.097 1.00 72.14 H new ATOM 0 HB2 LYS A 48 -17.661 14.069 -12.559 1.00 50.33 H new ATOM 0 HB3 LYS A 48 -18.134 14.533 -14.181 1.00 50.33 H new ATOM 0 HG2 LYS A 48 -17.770 16.760 -12.227 1.00 73.41 H new ATOM 0 HG3 LYS A 48 -16.320 15.895 -12.700 1.00 73.41 H new ATOM 0 HD2 LYS A 48 -18.184 16.660 -14.911 1.00 31.14 H new ATOM 0 HD3 LYS A 48 -17.350 17.977 -14.110 1.00 31.14 H new ATOM 0 HE2 LYS A 48 -15.840 17.418 -15.801 1.00 22.14 H new ATOM 0 HE3 LYS A 48 -15.196 16.525 -14.438 1.00 22.14 H new ATOM 0 HZ1 LYS A 48 -15.353 15.212 -16.505 1.00 72.51 H new ATOM 0 HZ2 LYS A 48 -16.233 14.527 -15.224 1.00 72.51 H new ATOM 0 HZ3 LYS A 48 -17.044 15.361 -16.461 1.00 72.51 H new ATOM 746 N ASN A 49 -20.638 15.601 -10.573 1.00 22.02 N ATOM 747 CA ASN A 49 -20.814 15.600 -9.125 1.00 34.02 C ATOM 748 C ASN A 49 -19.507 15.943 -8.418 1.00 32.41 C ATOM 749 O ASN A 49 -19.251 15.481 -7.307 1.00 2.04 O ATOM 750 CB ASN A 49 -21.322 14.236 -8.653 1.00 25.42 C ATOM 751 CG ASN A 49 -22.724 13.939 -9.144 1.00 74.43 C ATOM 752 OD1 ASN A 49 -22.924 13.086 -10.009 1.00 41.23 O ATOM 753 ND2 ASN A 49 -23.706 14.643 -8.593 1.00 2.21 N ATOM 0 H ASN A 49 -21.315 16.172 -11.080 1.00 22.02 H new ATOM 0 HA ASN A 49 -21.552 16.361 -8.873 1.00 34.02 H new ATOM 0 HB2 ASN A 49 -20.645 13.458 -9.005 1.00 25.42 H new ATOM 0 HB3 ASN A 49 -21.307 14.203 -7.564 1.00 25.42 H new ATOM 0 HD21 ASN A 49 -24.671 14.486 -8.884 1.00 2.21 H new ATOM 0 HD22 ASN A 49 -23.495 15.340 -7.879 1.00 2.21 H new ATOM 760 N GLY A 50 -18.683 16.757 -9.070 1.00 62.22 N ATOM 761 CA GLY A 50 -17.412 17.148 -8.489 1.00 32.22 C ATOM 762 C GLY A 50 -16.532 15.957 -8.165 1.00 65.32 C ATOM 763 O GLY A 50 -15.607 16.061 -7.361 1.00 25.11 O ATOM 0 H GLY A 50 -18.873 17.153 -9.991 1.00 62.22 H new ATOM 0 HA2 GLY A 50 -16.887 17.806 -9.181 1.00 32.22 H new ATOM 0 HA3 GLY A 50 -17.593 17.721 -7.579 1.00 32.22 H new ATOM 767 N ASN A 51 -16.820 14.822 -8.792 1.00 33.52 N ATOM 768 CA ASN A 51 -16.049 13.604 -8.564 1.00 52.35 C ATOM 769 C ASN A 51 -14.992 13.420 -9.649 1.00 63.15 C ATOM 770 O ASN A 51 -15.222 12.732 -10.645 1.00 3.43 O ATOM 771 CB ASN A 51 -16.976 12.388 -8.528 1.00 4.13 C ATOM 772 CG ASN A 51 -16.215 11.079 -8.619 1.00 21.34 C ATOM 773 OD1 ASN A 51 -15.138 10.967 -7.851 1.00 62.52 O flip ATOM 774 ND2 ASN A 51 -16.593 10.180 -9.370 1.00 21.53 N flip ATOM 0 H ASN A 51 -17.582 14.719 -9.462 1.00 33.52 H new ATOM 0 HA ASN A 51 -15.545 13.696 -7.602 1.00 52.35 H new ATOM 0 HB2 ASN A 51 -17.557 12.404 -7.606 1.00 4.13 H new ATOM 0 HB3 ASN A 51 -17.686 12.451 -9.353 1.00 4.13 H new ATOM 0 HD21 ASN A 51 -17.427 10.311 -9.942 1.00 21.53 H new ATOM 0 HD22 ASN A 51 -16.072 9.304 -9.420 1.00 21.53 H new ATOM 781 N LEU A 52 -13.833 14.038 -9.449 1.00 14.10 N ATOM 782 CA LEU A 52 -12.740 13.942 -10.409 1.00 44.43 C ATOM 783 C LEU A 52 -12.136 12.541 -10.409 1.00 14.20 C ATOM 784 O LEU A 52 -11.339 12.198 -11.280 1.00 63.13 O ATOM 785 CB LEU A 52 -11.658 14.976 -10.085 1.00 70.55 C ATOM 786 CG LEU A 52 -11.104 14.942 -8.661 1.00 3.10 C ATOM 787 CD1 LEU A 52 -9.953 13.953 -8.559 1.00 43.13 C ATOM 788 CD2 LEU A 52 -10.654 16.331 -8.231 1.00 51.35 C ATOM 0 H LEU A 52 -13.626 14.611 -8.631 1.00 14.10 H new ATOM 0 HA LEU A 52 -13.142 14.144 -11.402 1.00 44.43 H new ATOM 0 HB2 LEU A 52 -10.830 14.836 -10.779 1.00 70.55 H new ATOM 0 HB3 LEU A 52 -12.065 15.970 -10.272 1.00 70.55 H new ATOM 0 HG LEU A 52 -11.899 14.614 -7.991 1.00 3.10 H new ATOM 0 HD11 LEU A 52 -9.572 13.943 -7.538 1.00 43.13 H new ATOM 0 HD12 LEU A 52 -10.305 12.956 -8.825 1.00 43.13 H new ATOM 0 HD13 LEU A 52 -9.156 14.250 -9.241 1.00 43.13 H new ATOM 0 HD21 LEU A 52 -10.262 16.288 -7.215 1.00 51.35 H new ATOM 0 HD22 LEU A 52 -9.875 16.686 -8.905 1.00 51.35 H new ATOM 0 HD23 LEU A 52 -11.502 17.015 -8.264 1.00 51.35 H new ATOM 800 N GLY A 53 -12.524 11.735 -9.426 1.00 12.04 N ATOM 801 CA GLY A 53 -12.014 10.380 -9.331 1.00 50.24 C ATOM 802 C GLY A 53 -10.578 10.334 -8.849 1.00 65.43 C ATOM 803 O GLY A 53 -10.222 10.995 -7.874 1.00 1.04 O ATOM 0 H GLY A 53 -13.183 11.997 -8.693 1.00 12.04 H new ATOM 0 HA2 GLY A 53 -12.641 9.806 -8.649 1.00 50.24 H new ATOM 0 HA3 GLY A 53 -12.082 9.900 -10.307 1.00 50.24 H new ATOM 807 N TYR A 54 -9.751 9.550 -9.532 1.00 30.32 N ATOM 808 CA TYR A 54 -8.346 9.417 -9.164 1.00 72.34 C ATOM 809 C TYR A 54 -7.515 10.543 -9.771 1.00 31.50 C ATOM 810 O TYR A 54 -7.682 10.893 -10.940 1.00 72.32 O ATOM 811 CB TYR A 54 -7.804 8.062 -9.623 1.00 72.24 C ATOM 812 CG TYR A 54 -7.801 7.011 -8.537 1.00 22.40 C ATOM 813 CD1 TYR A 54 -8.879 6.875 -7.671 1.00 2.23 C ATOM 814 CD2 TYR A 54 -6.720 6.153 -8.374 1.00 45.15 C ATOM 815 CE1 TYR A 54 -8.880 5.917 -6.676 1.00 21.10 C ATOM 816 CE2 TYR A 54 -6.713 5.191 -7.384 1.00 4.03 C ATOM 817 CZ TYR A 54 -7.795 5.077 -6.537 1.00 42.44 C ATOM 818 OH TYR A 54 -7.792 4.120 -5.547 1.00 51.22 O ATOM 0 H TYR A 54 -10.029 8.997 -10.343 1.00 30.32 H new ATOM 0 HA TYR A 54 -8.273 9.481 -8.078 1.00 72.34 H new ATOM 0 HB2 TYR A 54 -8.404 7.705 -10.460 1.00 72.24 H new ATOM 0 HB3 TYR A 54 -6.787 8.193 -9.992 1.00 72.24 H new ATOM 0 HD1 TYR A 54 -9.731 7.530 -7.778 1.00 2.23 H new ATOM 0 HD2 TYR A 54 -5.870 6.240 -9.034 1.00 45.15 H new ATOM 0 HE1 TYR A 54 -9.726 5.826 -6.011 1.00 21.10 H new ATOM 0 HE2 TYR A 54 -5.865 4.531 -7.274 1.00 4.03 H new ATOM 0 HH TYR A 54 -6.955 3.612 -5.586 1.00 51.22 H new ATOM 828 N PHE A 55 -6.618 11.105 -8.969 1.00 11.42 N ATOM 829 CA PHE A 55 -5.759 12.193 -9.425 1.00 73.53 C ATOM 830 C PHE A 55 -4.341 12.027 -8.890 1.00 23.33 C ATOM 831 O PHE A 55 -4.051 11.091 -8.143 1.00 33.34 O ATOM 832 CB PHE A 55 -6.330 13.541 -8.983 1.00 21.12 C ATOM 833 CG PHE A 55 -5.863 13.971 -7.621 1.00 11.01 C ATOM 834 CD1 PHE A 55 -5.996 13.128 -6.530 1.00 45.25 C ATOM 835 CD2 PHE A 55 -5.290 15.219 -7.433 1.00 50.01 C ATOM 836 CE1 PHE A 55 -5.568 13.522 -5.276 1.00 30.10 C ATOM 837 CE2 PHE A 55 -4.860 15.618 -6.182 1.00 12.00 C ATOM 838 CZ PHE A 55 -4.999 14.768 -5.102 1.00 45.22 C ATOM 0 H PHE A 55 -6.466 10.826 -8.000 1.00 11.42 H new ATOM 0 HA PHE A 55 -5.722 12.162 -10.514 1.00 73.53 H new ATOM 0 HB2 PHE A 55 -6.050 14.302 -9.712 1.00 21.12 H new ATOM 0 HB3 PHE A 55 -7.418 13.484 -8.984 1.00 21.12 H new ATOM 0 HD1 PHE A 55 -6.439 12.152 -6.661 1.00 45.25 H new ATOM 0 HD2 PHE A 55 -5.178 15.887 -8.274 1.00 50.01 H new ATOM 0 HE1 PHE A 55 -5.679 12.856 -4.433 1.00 30.10 H new ATOM 0 HE2 PHE A 55 -4.416 16.593 -6.049 1.00 12.00 H new ATOM 0 HZ PHE A 55 -4.663 15.077 -4.123 1.00 45.22 H new ATOM 848 N THR A 56 -3.457 12.942 -9.276 1.00 2.12 N ATOM 849 CA THR A 56 -2.068 12.898 -8.836 1.00 73.35 C ATOM 850 C THR A 56 -1.503 14.301 -8.657 1.00 1.24 C ATOM 851 O THR A 56 -2.200 15.294 -8.869 1.00 44.11 O ATOM 852 CB THR A 56 -1.187 12.126 -9.838 1.00 34.31 C ATOM 853 OG1 THR A 56 -0.999 12.904 -11.025 1.00 5.23 O ATOM 854 CG2 THR A 56 -1.819 10.789 -10.196 1.00 63.13 C ATOM 0 H THR A 56 -3.679 13.723 -9.893 1.00 2.12 H new ATOM 0 HA THR A 56 -2.056 12.380 -7.877 1.00 73.35 H new ATOM 0 HB THR A 56 -0.221 11.939 -9.370 1.00 34.31 H new ATOM 0 HG1 THR A 56 -0.437 12.408 -11.656 1.00 5.23 H new ATOM 0 HG21 THR A 56 -1.179 10.262 -10.904 1.00 63.13 H new ATOM 0 HG22 THR A 56 -1.934 10.188 -9.294 1.00 63.13 H new ATOM 0 HG23 THR A 56 -2.797 10.958 -10.646 1.00 63.13 H new ATOM 862 N LYS A 57 -0.236 14.379 -8.265 1.00 72.42 N ATOM 863 CA LYS A 57 0.425 15.662 -8.059 1.00 21.40 C ATOM 864 C LYS A 57 0.832 16.285 -9.390 1.00 23.54 C ATOM 865 O LYS A 57 1.727 15.787 -10.071 1.00 43.12 O ATOM 866 CB LYS A 57 1.656 15.487 -7.167 1.00 1.32 C ATOM 867 CG LYS A 57 1.358 14.804 -5.844 1.00 74.43 C ATOM 868 CD LYS A 57 2.295 15.278 -4.746 1.00 42.44 C ATOM 869 CE LYS A 57 2.562 14.182 -3.727 1.00 32.40 C ATOM 870 NZ LYS A 57 3.246 13.010 -4.340 1.00 73.32 N ATOM 0 H LYS A 57 0.354 13.567 -8.083 1.00 72.42 H new ATOM 0 HA LYS A 57 -0.281 16.331 -7.567 1.00 21.40 H new ATOM 0 HB2 LYS A 57 2.404 14.906 -7.706 1.00 1.32 H new ATOM 0 HB3 LYS A 57 2.093 16.466 -6.970 1.00 1.32 H new ATOM 0 HG2 LYS A 57 0.326 15.005 -5.555 1.00 74.43 H new ATOM 0 HG3 LYS A 57 1.452 13.724 -5.962 1.00 74.43 H new ATOM 0 HD2 LYS A 57 3.237 15.604 -5.186 1.00 42.44 H new ATOM 0 HD3 LYS A 57 1.861 16.144 -4.245 1.00 42.44 H new ATOM 0 HE2 LYS A 57 3.176 14.579 -2.919 1.00 32.40 H new ATOM 0 HE3 LYS A 57 1.620 13.861 -3.283 1.00 32.40 H new ATOM 0 HZ1 LYS A 57 3.832 12.536 -3.623 1.00 73.32 H new ATOM 0 HZ2 LYS A 57 2.535 12.343 -4.702 1.00 73.32 H new ATOM 0 HZ3 LYS A 57 3.850 13.331 -5.124 1.00 73.32 H new ATOM 884 N GLY A 58 0.169 17.379 -9.754 1.00 65.11 N ATOM 885 CA GLY A 58 0.478 18.052 -11.002 1.00 34.20 C ATOM 886 C GLY A 58 -0.705 18.090 -11.948 1.00 73.12 C ATOM 887 O GLY A 58 -0.558 18.426 -13.123 1.00 52.12 O ATOM 0 H GLY A 58 -0.576 17.811 -9.207 1.00 65.11 H new ATOM 0 HA2 GLY A 58 0.803 19.071 -10.791 1.00 34.20 H new ATOM 0 HA3 GLY A 58 1.312 17.545 -11.488 1.00 34.20 H new ATOM 891 N MET A 59 -1.881 17.741 -11.438 1.00 33.31 N ATOM 892 CA MET A 59 -3.095 17.736 -12.246 1.00 63.52 C ATOM 893 C MET A 59 -4.093 18.769 -11.735 1.00 51.05 C ATOM 894 O MET A 59 -5.196 18.896 -12.268 1.00 3.41 O ATOM 895 CB MET A 59 -3.733 16.345 -12.238 1.00 41.43 C ATOM 896 CG MET A 59 -2.813 15.251 -12.755 1.00 1.30 C ATOM 897 SD MET A 59 -2.640 15.280 -14.550 1.00 72.52 S ATOM 898 CE MET A 59 -2.031 13.623 -14.857 1.00 54.44 C ATOM 0 H MET A 59 -2.019 17.458 -10.468 1.00 33.31 H new ATOM 0 HA MET A 59 -2.822 17.997 -13.269 1.00 63.52 H new ATOM 0 HB2 MET A 59 -4.039 16.100 -11.221 1.00 41.43 H new ATOM 0 HB3 MET A 59 -4.637 16.366 -12.846 1.00 41.43 H new ATOM 0 HG2 MET A 59 -1.830 15.362 -12.297 1.00 1.30 H new ATOM 0 HG3 MET A 59 -3.200 14.280 -12.447 1.00 1.30 H new ATOM 0 HE1 MET A 59 -1.874 13.485 -15.927 1.00 54.44 H new ATOM 0 HE2 MET A 59 -1.088 13.479 -14.330 1.00 54.44 H new ATOM 0 HE3 MET A 59 -2.760 12.895 -14.501 1.00 54.44 H new ATOM 908 N MET A 60 -3.701 19.505 -10.701 1.00 24.31 N ATOM 909 CA MET A 60 -4.562 20.528 -10.120 1.00 30.40 C ATOM 910 C MET A 60 -3.768 21.791 -9.803 1.00 2.02 C ATOM 911 O MET A 60 -2.615 21.930 -10.211 1.00 51.43 O ATOM 912 CB MET A 60 -5.231 19.999 -8.849 1.00 52.32 C ATOM 913 CG MET A 60 -5.954 18.678 -9.048 1.00 74.54 C ATOM 914 SD MET A 60 -7.597 18.885 -9.762 1.00 50.11 S ATOM 915 CE MET A 60 -7.825 17.296 -10.555 1.00 63.35 C ATOM 0 H MET A 60 -2.792 19.412 -10.248 1.00 24.31 H new ATOM 0 HA MET A 60 -5.332 20.778 -10.850 1.00 30.40 H new ATOM 0 HB2 MET A 60 -4.474 19.877 -8.074 1.00 52.32 H new ATOM 0 HB3 MET A 60 -5.942 20.742 -8.486 1.00 52.32 H new ATOM 0 HG2 MET A 60 -5.358 18.037 -9.697 1.00 74.54 H new ATOM 0 HG3 MET A 60 -6.041 18.168 -8.089 1.00 74.54 H new ATOM 0 HE1 MET A 60 -8.814 17.256 -11.012 1.00 63.35 H new ATOM 0 HE2 MET A 60 -7.064 17.160 -11.323 1.00 63.35 H new ATOM 0 HE3 MET A 60 -7.736 16.503 -9.813 1.00 63.35 H new ATOM 925 N VAL A 61 -4.392 22.709 -9.071 1.00 51.03 N ATOM 926 CA VAL A 61 -3.743 23.961 -8.699 1.00 72.32 C ATOM 927 C VAL A 61 -3.103 23.858 -7.319 1.00 13.21 C ATOM 928 O VAL A 61 -3.369 22.921 -6.566 1.00 33.31 O ATOM 929 CB VAL A 61 -4.742 25.134 -8.704 1.00 65.23 C ATOM 930 CG1 VAL A 61 -5.444 25.230 -10.050 1.00 34.41 C ATOM 931 CG2 VAL A 61 -5.750 24.980 -7.576 1.00 64.21 C ATOM 0 H VAL A 61 -5.346 22.609 -8.724 1.00 51.03 H new ATOM 0 HA VAL A 61 -2.969 24.150 -9.442 1.00 72.32 H new ATOM 0 HB VAL A 61 -4.191 26.060 -8.542 1.00 65.23 H new ATOM 0 HG11 VAL A 61 -6.146 26.064 -10.036 1.00 34.41 H new ATOM 0 HG12 VAL A 61 -4.705 25.391 -10.835 1.00 34.41 H new ATOM 0 HG13 VAL A 61 -5.985 24.304 -10.245 1.00 34.41 H new ATOM 0 HG21 VAL A 61 -6.448 25.817 -7.595 1.00 64.21 H new ATOM 0 HG22 VAL A 61 -6.299 24.047 -7.704 1.00 64.21 H new ATOM 0 HG23 VAL A 61 -5.227 24.965 -6.620 1.00 64.21 H new ATOM 941 N LYS A 62 -2.258 24.830 -6.991 1.00 52.22 N ATOM 942 CA LYS A 62 -1.581 24.852 -5.700 1.00 53.32 C ATOM 943 C LYS A 62 -2.589 24.800 -4.556 1.00 45.11 C ATOM 944 O LYS A 62 -2.573 23.893 -3.723 1.00 62.13 O ATOM 945 CB LYS A 62 -0.717 26.109 -5.576 1.00 30.31 C ATOM 946 CG LYS A 62 -0.588 26.621 -4.152 1.00 14.30 C ATOM 947 CD LYS A 62 0.508 27.666 -4.031 1.00 65.33 C ATOM 948 CE LYS A 62 0.965 27.830 -2.590 1.00 3.32 C ATOM 949 NZ LYS A 62 -0.041 28.561 -1.770 1.00 71.21 N ATOM 0 H LYS A 62 -2.026 25.613 -7.602 1.00 52.22 H new ATOM 0 HA LYS A 62 -0.942 23.971 -5.638 1.00 53.32 H new ATOM 0 HB2 LYS A 62 0.278 25.896 -5.968 1.00 30.31 H new ATOM 0 HB3 LYS A 62 -1.143 26.896 -6.199 1.00 30.31 H new ATOM 0 HG2 LYS A 62 -1.537 27.050 -3.831 1.00 14.30 H new ATOM 0 HG3 LYS A 62 -0.373 25.788 -3.483 1.00 14.30 H new ATOM 0 HD2 LYS A 62 1.356 27.379 -4.652 1.00 65.33 H new ATOM 0 HD3 LYS A 62 0.145 28.621 -4.410 1.00 65.33 H new ATOM 0 HE2 LYS A 62 1.146 26.848 -2.152 1.00 3.32 H new ATOM 0 HE3 LYS A 62 1.912 28.369 -2.568 1.00 3.32 H new ATOM 0 HZ1 LYS A 62 0.307 28.653 -0.794 1.00 71.21 H new ATOM 0 HZ2 LYS A 62 -0.196 29.507 -2.173 1.00 71.21 H new ATOM 0 HZ3 LYS A 62 -0.938 28.034 -1.770 1.00 71.21 H new ATOM 963 N PRO A 63 -3.488 25.794 -4.512 1.00 4.21 N ATOM 964 CA PRO A 63 -4.520 25.883 -3.476 1.00 14.21 C ATOM 965 C PRO A 63 -5.582 24.798 -3.621 1.00 32.21 C ATOM 966 O PRO A 63 -6.780 25.073 -3.544 1.00 21.21 O ATOM 967 CB PRO A 63 -5.135 27.267 -3.705 1.00 30.54 C ATOM 968 CG PRO A 63 -4.880 27.561 -5.142 1.00 65.21 C ATOM 969 CD PRO A 63 -3.565 26.909 -5.472 1.00 13.30 C ATOM 0 HA PRO A 63 -4.107 25.745 -2.477 1.00 14.21 H new ATOM 0 HB2 PRO A 63 -6.202 27.267 -3.484 1.00 30.54 H new ATOM 0 HB3 PRO A 63 -4.676 28.016 -3.060 1.00 30.54 H new ATOM 0 HG2 PRO A 63 -5.679 27.166 -5.769 1.00 65.21 H new ATOM 0 HG3 PRO A 63 -4.838 28.636 -5.319 1.00 65.21 H new ATOM 0 HD2 PRO A 63 -3.539 26.555 -6.503 1.00 13.30 H new ATOM 0 HD3 PRO A 63 -2.732 27.601 -5.352 1.00 13.30 H new ATOM 977 N PHE A 64 -5.135 23.565 -3.832 1.00 33.51 N ATOM 978 CA PHE A 64 -6.048 22.438 -3.988 1.00 63.44 C ATOM 979 C PHE A 64 -5.299 21.113 -3.879 1.00 24.22 C ATOM 980 O PHE A 64 -5.571 20.306 -2.991 1.00 74.41 O ATOM 981 CB PHE A 64 -6.766 22.519 -5.337 1.00 14.34 C ATOM 982 CG PHE A 64 -7.670 21.350 -5.607 1.00 31.21 C ATOM 983 CD1 PHE A 64 -7.158 20.162 -6.103 1.00 65.14 C ATOM 984 CD2 PHE A 64 -9.030 21.438 -5.364 1.00 14.44 C ATOM 985 CE1 PHE A 64 -7.987 19.085 -6.353 1.00 45.14 C ATOM 986 CE2 PHE A 64 -9.864 20.365 -5.611 1.00 74.42 C ATOM 987 CZ PHE A 64 -9.342 19.186 -6.106 1.00 2.12 C ATOM 0 H PHE A 64 -4.147 23.320 -3.899 1.00 33.51 H new ATOM 0 HA PHE A 64 -6.786 22.487 -3.187 1.00 63.44 H new ATOM 0 HB2 PHE A 64 -7.352 23.437 -5.373 1.00 14.34 H new ATOM 0 HB3 PHE A 64 -6.023 22.584 -6.132 1.00 14.34 H new ATOM 0 HD1 PHE A 64 -6.099 20.077 -6.296 1.00 65.14 H new ATOM 0 HD2 PHE A 64 -9.444 22.357 -4.976 1.00 14.44 H new ATOM 0 HE1 PHE A 64 -7.576 18.165 -6.741 1.00 45.14 H new ATOM 0 HE2 PHE A 64 -10.923 20.448 -5.417 1.00 74.42 H new ATOM 0 HZ PHE A 64 -9.992 18.345 -6.299 1.00 2.12 H new ATOM 997 N GLU A 65 -4.354 20.896 -4.790 1.00 33.34 N ATOM 998 CA GLU A 65 -3.567 19.669 -4.796 1.00 22.53 C ATOM 999 C GLU A 65 -2.949 19.412 -3.424 1.00 3.01 C ATOM 1000 O GLU A 65 -3.090 18.326 -2.862 1.00 33.22 O ATOM 1001 CB GLU A 65 -2.467 19.747 -5.856 1.00 54.23 C ATOM 1002 CG GLU A 65 -1.478 18.595 -5.793 1.00 50.25 C ATOM 1003 CD GLU A 65 -0.359 18.732 -6.808 1.00 24.43 C ATOM 1004 OE1 GLU A 65 -0.616 19.266 -7.906 1.00 51.24 O ATOM 1005 OE2 GLU A 65 0.774 18.304 -6.502 1.00 5.41 O ATOM 0 H GLU A 65 -4.116 21.554 -5.532 1.00 33.34 H new ATOM 0 HA GLU A 65 -4.234 18.841 -5.036 1.00 22.53 H new ATOM 0 HB2 GLU A 65 -2.927 19.766 -6.844 1.00 54.23 H new ATOM 0 HB3 GLU A 65 -1.926 20.686 -5.738 1.00 54.23 H new ATOM 0 HG2 GLU A 65 -1.051 18.542 -4.792 1.00 50.25 H new ATOM 0 HG3 GLU A 65 -2.006 17.657 -5.964 1.00 50.25 H new ATOM 1012 N ASP A 66 -2.265 20.418 -2.892 1.00 45.44 N ATOM 1013 CA ASP A 66 -1.624 20.303 -1.587 1.00 21.22 C ATOM 1014 C ASP A 66 -2.622 19.836 -0.532 1.00 14.20 C ATOM 1015 O ASP A 66 -2.284 19.050 0.352 1.00 42.24 O ATOM 1016 CB ASP A 66 -1.015 21.643 -1.173 1.00 52.05 C ATOM 1017 CG ASP A 66 0.065 21.489 -0.122 1.00 25.23 C ATOM 1018 OD1 ASP A 66 1.214 21.169 -0.494 1.00 73.22 O ATOM 1019 OD2 ASP A 66 -0.237 21.686 1.074 1.00 25.20 O ATOM 0 H ASP A 66 -2.140 21.324 -3.344 1.00 45.44 H new ATOM 0 HA ASP A 66 -0.829 19.561 -1.664 1.00 21.22 H new ATOM 0 HB2 ASP A 66 -0.596 22.135 -2.051 1.00 52.05 H new ATOM 0 HB3 ASP A 66 -1.801 22.293 -0.789 1.00 52.05 H new ATOM 1024 N ALA A 67 -3.854 20.328 -0.631 1.00 65.31 N ATOM 1025 CA ALA A 67 -4.901 19.960 0.313 1.00 11.24 C ATOM 1026 C ALA A 67 -5.930 19.042 -0.337 1.00 71.12 C ATOM 1027 O ALA A 67 -7.131 19.171 -0.099 1.00 4.10 O ATOM 1028 CB ALA A 67 -5.577 21.208 0.863 1.00 25.42 C ATOM 0 H ALA A 67 -4.150 20.982 -1.356 1.00 65.31 H new ATOM 0 HA ALA A 67 -4.438 19.417 1.137 1.00 11.24 H new ATOM 0 HB1 ALA A 67 -6.357 20.919 1.567 1.00 25.42 H new ATOM 0 HB2 ALA A 67 -4.839 21.827 1.373 1.00 25.42 H new ATOM 0 HB3 ALA A 67 -6.020 21.773 0.043 1.00 25.42 H new ATOM 1034 N ALA A 68 -5.451 18.115 -1.160 1.00 74.53 N ATOM 1035 CA ALA A 68 -6.330 17.174 -1.844 1.00 50.05 C ATOM 1036 C ALA A 68 -6.008 15.736 -1.451 1.00 22.10 C ATOM 1037 O ALA A 68 -6.897 14.887 -1.379 1.00 44.31 O ATOM 1038 CB ALA A 68 -6.219 17.348 -3.352 1.00 73.11 C ATOM 0 H ALA A 68 -4.460 17.995 -1.369 1.00 74.53 H new ATOM 0 HA ALA A 68 -7.355 17.386 -1.539 1.00 50.05 H new ATOM 0 HB1 ALA A 68 -6.881 16.639 -3.850 1.00 73.11 H new ATOM 0 HB2 ALA A 68 -6.506 18.364 -3.623 1.00 73.11 H new ATOM 0 HB3 ALA A 68 -5.191 17.166 -3.665 1.00 73.11 H new ATOM 1044 N PHE A 69 -4.731 15.469 -1.198 1.00 61.24 N ATOM 1045 CA PHE A 69 -4.291 14.133 -0.814 1.00 65.53 C ATOM 1046 C PHE A 69 -3.873 14.098 0.653 1.00 44.34 C ATOM 1047 O PHE A 69 -3.481 13.054 1.175 1.00 42.42 O ATOM 1048 CB PHE A 69 -3.127 13.682 -1.698 1.00 45.33 C ATOM 1049 CG PHE A 69 -2.083 14.744 -1.903 1.00 72.13 C ATOM 1050 CD1 PHE A 69 -1.366 15.245 -0.829 1.00 51.43 C ATOM 1051 CD2 PHE A 69 -1.820 15.240 -3.170 1.00 21.24 C ATOM 1052 CE1 PHE A 69 -0.407 16.223 -1.015 1.00 21.22 C ATOM 1053 CE2 PHE A 69 -0.861 16.217 -3.362 1.00 74.13 C ATOM 1054 CZ PHE A 69 -0.153 16.708 -2.283 1.00 54.24 C ATOM 0 H PHE A 69 -3.983 16.160 -1.252 1.00 61.24 H new ATOM 0 HA PHE A 69 -5.129 13.449 -0.951 1.00 65.53 H new ATOM 0 HB2 PHE A 69 -2.659 12.806 -1.250 1.00 45.33 H new ATOM 0 HB3 PHE A 69 -3.516 13.374 -2.668 1.00 45.33 H new ATOM 0 HD1 PHE A 69 -1.558 14.867 0.164 1.00 51.43 H new ATOM 0 HD2 PHE A 69 -2.371 14.859 -4.017 1.00 21.24 H new ATOM 0 HE1 PHE A 69 0.143 16.608 -0.169 1.00 21.22 H new ATOM 0 HE2 PHE A 69 -0.666 16.596 -4.354 1.00 74.13 H new ATOM 0 HZ PHE A 69 0.598 17.470 -2.430 1.00 54.24 H new ATOM 1064 N LYS A 70 -3.959 15.249 1.313 1.00 41.03 N ATOM 1065 CA LYS A 70 -3.591 15.353 2.720 1.00 13.40 C ATOM 1066 C LYS A 70 -4.799 15.109 3.618 1.00 33.20 C ATOM 1067 O LYS A 70 -4.760 15.385 4.817 1.00 12.32 O ATOM 1068 CB LYS A 70 -2.996 16.732 3.012 1.00 14.32 C ATOM 1069 CG LYS A 70 -4.042 17.812 3.228 1.00 11.20 C ATOM 1070 CD LYS A 70 -3.401 19.166 3.485 1.00 21.11 C ATOM 1071 CE LYS A 70 -4.438 20.209 3.875 1.00 3.00 C ATOM 1072 NZ LYS A 70 -4.467 20.438 5.346 1.00 71.31 N ATOM 0 H LYS A 70 -4.280 16.122 0.896 1.00 41.03 H new ATOM 0 HA LYS A 70 -2.843 14.589 2.931 1.00 13.40 H new ATOM 0 HB2 LYS A 70 -2.365 16.666 3.899 1.00 14.32 H new ATOM 0 HB3 LYS A 70 -2.351 17.023 2.183 1.00 14.32 H new ATOM 0 HG2 LYS A 70 -4.688 17.875 2.352 1.00 11.20 H new ATOM 0 HG3 LYS A 70 -4.676 17.542 4.073 1.00 11.20 H new ATOM 0 HD2 LYS A 70 -2.660 19.074 4.279 1.00 21.11 H new ATOM 0 HD3 LYS A 70 -2.871 19.495 2.591 1.00 21.11 H new ATOM 0 HE2 LYS A 70 -4.219 21.147 3.365 1.00 3.00 H new ATOM 0 HE3 LYS A 70 -5.423 19.886 3.538 1.00 3.00 H new ATOM 0 HZ1 LYS A 70 -5.186 21.155 5.572 1.00 71.31 H new ATOM 0 HZ2 LYS A 70 -4.701 19.548 5.831 1.00 71.31 H new ATOM 0 HZ3 LYS A 70 -3.534 20.771 5.664 1.00 71.31 H new ATOM 1086 N LEU A 71 -5.872 14.588 3.031 1.00 65.42 N ATOM 1087 CA LEU A 71 -7.092 14.305 3.779 1.00 65.52 C ATOM 1088 C LEU A 71 -7.158 12.833 4.174 1.00 30.44 C ATOM 1089 O LEU A 71 -6.203 12.083 3.972 1.00 2.41 O ATOM 1090 CB LEU A 71 -8.321 14.676 2.947 1.00 44.12 C ATOM 1091 CG LEU A 71 -8.198 15.942 2.097 1.00 61.24 C ATOM 1092 CD1 LEU A 71 -9.366 16.050 1.129 1.00 33.14 C ATOM 1093 CD2 LEU A 71 -8.122 17.175 2.985 1.00 25.33 C ATOM 0 H LEU A 71 -5.921 14.353 2.040 1.00 65.42 H new ATOM 0 HA LEU A 71 -7.080 14.907 4.688 1.00 65.52 H new ATOM 0 HB2 LEU A 71 -8.554 13.840 2.287 1.00 44.12 H new ATOM 0 HB3 LEU A 71 -9.169 14.796 3.621 1.00 44.12 H new ATOM 0 HG LEU A 71 -7.277 15.880 1.517 1.00 61.24 H new ATOM 0 HD11 LEU A 71 -9.262 16.956 0.533 1.00 33.14 H new ATOM 0 HD12 LEU A 71 -9.374 15.181 0.470 1.00 33.14 H new ATOM 0 HD13 LEU A 71 -10.300 16.090 1.689 1.00 33.14 H new ATOM 0 HD21 LEU A 71 -8.035 18.066 2.363 1.00 25.33 H new ATOM 0 HD22 LEU A 71 -9.025 17.243 3.592 1.00 25.33 H new ATOM 0 HD23 LEU A 71 -7.252 17.101 3.637 1.00 25.33 H new ATOM 1105 N GLN A 72 -8.291 12.428 4.738 1.00 52.23 N ATOM 1106 CA GLN A 72 -8.481 11.045 5.161 1.00 54.33 C ATOM 1107 C GLN A 72 -9.525 10.350 4.294 1.00 61.42 C ATOM 1108 O GLN A 72 -10.324 11.003 3.621 1.00 33.32 O ATOM 1109 CB GLN A 72 -8.905 10.993 6.630 1.00 53.35 C ATOM 1110 CG GLN A 72 -7.747 10.785 7.591 1.00 24.31 C ATOM 1111 CD GLN A 72 -8.093 9.845 8.729 1.00 61.35 C ATOM 1112 OE1 GLN A 72 -8.147 10.251 9.890 1.00 41.33 O ATOM 1113 NE2 GLN A 72 -8.331 8.580 8.401 1.00 52.43 N ATOM 0 H GLN A 72 -9.091 13.037 4.913 1.00 52.23 H new ATOM 0 HA GLN A 72 -7.532 10.522 5.045 1.00 54.33 H new ATOM 0 HB2 GLN A 72 -9.415 11.922 6.885 1.00 53.35 H new ATOM 0 HB3 GLN A 72 -9.626 10.186 6.763 1.00 53.35 H new ATOM 0 HG2 GLN A 72 -6.893 10.387 7.043 1.00 24.31 H new ATOM 0 HG3 GLN A 72 -7.442 11.748 8.001 1.00 24.31 H new ATOM 0 HE21 GLN A 72 -8.275 8.287 7.426 1.00 52.43 H new ATOM 0 HE22 GLN A 72 -8.570 7.902 9.125 1.00 52.43 H new ATOM 1122 N VAL A 73 -9.512 9.021 4.312 1.00 74.32 N ATOM 1123 CA VAL A 73 -10.458 8.236 3.527 1.00 11.03 C ATOM 1124 C VAL A 73 -11.897 8.590 3.887 1.00 31.24 C ATOM 1125 O VAL A 73 -12.442 8.093 4.872 1.00 30.20 O ATOM 1126 CB VAL A 73 -10.245 6.725 3.738 1.00 21.14 C ATOM 1127 CG1 VAL A 73 -11.243 5.925 2.915 1.00 5.13 C ATOM 1128 CG2 VAL A 73 -8.817 6.335 3.387 1.00 43.14 C ATOM 0 H VAL A 73 -8.857 8.465 4.862 1.00 74.32 H new ATOM 0 HA VAL A 73 -10.278 8.478 2.480 1.00 11.03 H new ATOM 0 HB VAL A 73 -10.412 6.495 4.790 1.00 21.14 H new ATOM 0 HG11 VAL A 73 -11.077 4.860 3.077 1.00 5.13 H new ATOM 0 HG12 VAL A 73 -12.257 6.185 3.219 1.00 5.13 H new ATOM 0 HG13 VAL A 73 -11.111 6.156 1.858 1.00 5.13 H new ATOM 0 HG21 VAL A 73 -8.684 5.264 3.542 1.00 43.14 H new ATOM 0 HG22 VAL A 73 -8.620 6.578 2.343 1.00 43.14 H new ATOM 0 HG23 VAL A 73 -8.123 6.883 4.025 1.00 43.14 H new ATOM 1138 N GLY A 74 -12.508 9.452 3.080 1.00 21.24 N ATOM 1139 CA GLY A 74 -13.879 9.857 3.329 1.00 21.42 C ATOM 1140 C GLY A 74 -13.968 11.124 4.156 1.00 42.42 C ATOM 1141 O GLY A 74 -15.027 11.452 4.689 1.00 31.21 O ATOM 0 H GLY A 74 -12.078 9.877 2.258 1.00 21.24 H new ATOM 0 HA2 GLY A 74 -14.387 10.012 2.377 1.00 21.42 H new ATOM 0 HA3 GLY A 74 -14.404 9.053 3.844 1.00 21.42 H new ATOM 1145 N GLU A 75 -12.851 11.838 4.264 1.00 3.02 N ATOM 1146 CA GLU A 75 -12.808 13.076 5.034 1.00 25.53 C ATOM 1147 C GLU A 75 -12.861 14.292 4.115 1.00 65.14 C ATOM 1148 O GLU A 75 -12.244 14.305 3.048 1.00 5.31 O ATOM 1149 CB GLU A 75 -11.541 13.124 5.891 1.00 45.45 C ATOM 1150 CG GLU A 75 -11.767 13.692 7.282 1.00 73.34 C ATOM 1151 CD GLU A 75 -12.760 12.877 8.089 1.00 5.40 C ATOM 1152 OE1 GLU A 75 -12.520 11.666 8.278 1.00 45.25 O ATOM 1153 OE2 GLU A 75 -13.776 13.451 8.533 1.00 74.43 O ATOM 0 H GLU A 75 -11.965 11.581 3.829 1.00 3.02 H new ATOM 0 HA GLU A 75 -13.681 13.099 5.686 1.00 25.53 H new ATOM 0 HB2 GLU A 75 -11.135 12.116 5.981 1.00 45.45 H new ATOM 0 HB3 GLU A 75 -10.790 13.726 5.380 1.00 45.45 H new ATOM 0 HG2 GLU A 75 -10.816 13.730 7.814 1.00 73.34 H new ATOM 0 HG3 GLU A 75 -12.127 14.717 7.198 1.00 73.34 H new ATOM 1160 N VAL A 76 -13.601 15.312 4.534 1.00 14.00 N ATOM 1161 CA VAL A 76 -13.736 16.534 3.748 1.00 21.42 C ATOM 1162 C VAL A 76 -12.689 17.565 4.154 1.00 1.03 C ATOM 1163 O VAL A 76 -12.439 17.776 5.341 1.00 50.04 O ATOM 1164 CB VAL A 76 -15.137 17.151 3.906 1.00 34.23 C ATOM 1165 CG1 VAL A 76 -15.264 18.411 3.064 1.00 11.02 C ATOM 1166 CG2 VAL A 76 -16.211 16.140 3.531 1.00 63.14 C ATOM 0 H VAL A 76 -14.117 15.318 5.414 1.00 14.00 H new ATOM 0 HA VAL A 76 -13.585 16.258 2.704 1.00 21.42 H new ATOM 0 HB VAL A 76 -15.277 17.425 4.952 1.00 34.23 H new ATOM 0 HG11 VAL A 76 -16.261 18.833 3.189 1.00 11.02 H new ATOM 0 HG12 VAL A 76 -14.519 19.139 3.384 1.00 11.02 H new ATOM 0 HG13 VAL A 76 -15.103 18.165 2.014 1.00 11.02 H new ATOM 0 HG21 VAL A 76 -17.195 16.594 3.649 1.00 63.14 H new ATOM 0 HG22 VAL A 76 -16.075 15.832 2.494 1.00 63.14 H new ATOM 0 HG23 VAL A 76 -16.133 15.269 4.181 1.00 63.14 H new ATOM 1176 N SER A 77 -12.081 18.205 3.161 1.00 11.12 N ATOM 1177 CA SER A 77 -11.058 19.214 3.415 1.00 73.44 C ATOM 1178 C SER A 77 -11.691 20.531 3.854 1.00 32.40 C ATOM 1179 O SER A 77 -12.873 20.580 4.194 1.00 52.02 O ATOM 1180 CB SER A 77 -10.210 19.436 2.161 1.00 30.31 C ATOM 1181 OG SER A 77 -8.947 19.987 2.491 1.00 61.13 O ATOM 0 H SER A 77 -12.278 18.043 2.173 1.00 11.12 H new ATOM 0 HA SER A 77 -10.418 18.853 4.220 1.00 73.44 H new ATOM 0 HB2 SER A 77 -10.072 18.489 1.639 1.00 30.31 H new ATOM 0 HB3 SER A 77 -10.734 20.104 1.477 1.00 30.31 H new ATOM 0 HG SER A 77 -8.823 19.963 3.463 1.00 61.13 H new ATOM 1187 N GLU A 78 -10.895 21.595 3.845 1.00 65.11 N ATOM 1188 CA GLU A 78 -11.376 22.912 4.244 1.00 73.52 C ATOM 1189 C GLU A 78 -11.645 23.786 3.022 1.00 10.00 C ATOM 1190 O GLU A 78 -11.164 23.521 1.920 1.00 33.32 O ATOM 1191 CB GLU A 78 -10.359 23.596 5.159 1.00 23.11 C ATOM 1192 CG GLU A 78 -8.914 23.288 4.800 1.00 14.34 C ATOM 1193 CD GLU A 78 -7.924 24.007 5.697 1.00 32.42 C ATOM 1194 OE1 GLU A 78 -8.061 25.237 5.865 1.00 62.21 O ATOM 1195 OE2 GLU A 78 -7.014 23.340 6.232 1.00 62.15 O ATOM 0 H GLU A 78 -9.914 21.571 3.566 1.00 65.11 H new ATOM 0 HA GLU A 78 -12.311 22.779 4.788 1.00 73.52 H new ATOM 0 HB2 GLU A 78 -10.513 24.674 5.118 1.00 23.11 H new ATOM 0 HB3 GLU A 78 -10.543 23.287 6.188 1.00 23.11 H new ATOM 0 HG2 GLU A 78 -8.747 22.213 4.870 1.00 14.34 H new ATOM 0 HG3 GLU A 78 -8.732 23.572 3.763 1.00 14.34 H new ATOM 1202 N PRO A 79 -12.434 24.852 3.220 1.00 54.23 N ATOM 1203 CA PRO A 79 -12.786 25.787 2.147 1.00 73.23 C ATOM 1204 C PRO A 79 -11.596 26.628 1.697 1.00 72.41 C ATOM 1205 O PRO A 79 -11.422 27.762 2.143 1.00 25.42 O ATOM 1206 CB PRO A 79 -13.857 26.674 2.787 1.00 45.35 C ATOM 1207 CG PRO A 79 -13.578 26.610 4.249 1.00 33.51 C ATOM 1208 CD PRO A 79 -13.042 25.229 4.507 1.00 32.42 C ATOM 0 HA PRO A 79 -13.123 25.269 1.249 1.00 73.23 H new ATOM 0 HB2 PRO A 79 -13.796 27.697 2.417 1.00 45.35 H new ATOM 0 HB3 PRO A 79 -14.859 26.311 2.559 1.00 45.35 H new ATOM 0 HG2 PRO A 79 -12.854 27.371 4.542 1.00 33.51 H new ATOM 0 HG3 PRO A 79 -14.484 26.792 4.828 1.00 33.51 H new ATOM 0 HD2 PRO A 79 -12.309 25.227 5.314 1.00 32.42 H new ATOM 0 HD3 PRO A 79 -13.834 24.538 4.795 1.00 32.42 H new ATOM 1216 N ILE A 80 -10.782 26.064 0.811 1.00 24.23 N ATOM 1217 CA ILE A 80 -9.610 26.764 0.300 1.00 65.32 C ATOM 1218 C ILE A 80 -10.005 27.833 -0.713 1.00 22.50 C ATOM 1219 O ILE A 80 -10.450 27.523 -1.818 1.00 10.10 O ATOM 1220 CB ILE A 80 -8.616 25.789 -0.361 1.00 54.34 C ATOM 1221 CG1 ILE A 80 -8.336 24.606 0.567 1.00 23.14 C ATOM 1222 CG2 ILE A 80 -7.324 26.510 -0.715 1.00 2.02 C ATOM 1223 CD1 ILE A 80 -7.609 24.992 1.837 1.00 70.13 C ATOM 0 H ILE A 80 -10.912 25.126 0.433 1.00 24.23 H new ATOM 0 HA ILE A 80 -9.128 27.238 1.155 1.00 65.32 H new ATOM 0 HB ILE A 80 -9.060 25.408 -1.281 1.00 54.34 H new ATOM 0 HG12 ILE A 80 -9.280 24.129 0.829 1.00 23.14 H new ATOM 0 HG13 ILE A 80 -7.743 23.866 0.030 1.00 23.14 H new ATOM 0 HG21 ILE A 80 -6.632 25.809 -1.181 1.00 2.02 H new ATOM 0 HG22 ILE A 80 -7.539 27.323 -1.409 1.00 2.02 H new ATOM 0 HG23 ILE A 80 -6.874 26.916 0.191 1.00 2.02 H new ATOM 0 HD11 ILE A 80 -7.444 24.103 2.446 1.00 70.13 H new ATOM 0 HD12 ILE A 80 -6.649 25.442 1.584 1.00 70.13 H new ATOM 0 HD13 ILE A 80 -8.210 25.709 2.396 1.00 70.13 H new ATOM 1235 N LYS A 81 -9.838 29.094 -0.329 1.00 72.51 N ATOM 1236 CA LYS A 81 -10.175 30.211 -1.203 1.00 24.30 C ATOM 1237 C LYS A 81 -9.123 30.383 -2.294 1.00 44.31 C ATOM 1238 O LYS A 81 -7.967 30.701 -2.012 1.00 52.11 O ATOM 1239 CB LYS A 81 -10.298 31.502 -0.391 1.00 31.32 C ATOM 1240 CG LYS A 81 -10.931 32.647 -1.162 1.00 11.34 C ATOM 1241 CD LYS A 81 -12.329 32.958 -0.653 1.00 45.25 C ATOM 1242 CE LYS A 81 -12.914 34.181 -1.342 1.00 10.00 C ATOM 1243 NZ LYS A 81 -14.356 33.997 -1.669 1.00 25.32 N ATOM 0 H LYS A 81 -9.471 29.368 0.582 1.00 72.51 H new ATOM 0 HA LYS A 81 -11.133 29.994 -1.676 1.00 24.30 H new ATOM 0 HB2 LYS A 81 -10.891 31.305 0.502 1.00 31.32 H new ATOM 0 HB3 LYS A 81 -9.307 31.806 -0.055 1.00 31.32 H new ATOM 0 HG2 LYS A 81 -10.305 33.535 -1.075 1.00 11.34 H new ATOM 0 HG3 LYS A 81 -10.977 32.392 -2.221 1.00 11.34 H new ATOM 0 HD2 LYS A 81 -12.978 32.099 -0.822 1.00 45.25 H new ATOM 0 HD3 LYS A 81 -12.296 33.126 0.423 1.00 45.25 H new ATOM 0 HE2 LYS A 81 -12.796 35.052 -0.697 1.00 10.00 H new ATOM 0 HE3 LYS A 81 -12.357 34.384 -2.257 1.00 10.00 H new ATOM 0 HZ1 LYS A 81 -14.718 34.852 -2.137 1.00 25.32 H new ATOM 0 HZ2 LYS A 81 -14.467 33.181 -2.304 1.00 25.32 H new ATOM 0 HZ3 LYS A 81 -14.892 33.829 -0.794 1.00 25.32 H new ATOM 1257 N SER A 82 -9.531 30.175 -3.542 1.00 61.41 N ATOM 1258 CA SER A 82 -8.623 30.305 -4.675 1.00 53.25 C ATOM 1259 C SER A 82 -9.251 31.149 -5.780 1.00 50.05 C ATOM 1260 O SER A 82 -10.312 31.744 -5.594 1.00 2.00 O ATOM 1261 CB SER A 82 -8.253 28.925 -5.221 1.00 22.34 C ATOM 1262 OG SER A 82 -8.322 27.940 -4.204 1.00 70.15 O ATOM 0 H SER A 82 -10.485 29.916 -3.794 1.00 61.41 H new ATOM 0 HA SER A 82 -7.719 30.805 -4.328 1.00 53.25 H new ATOM 0 HB2 SER A 82 -8.927 28.660 -6.035 1.00 22.34 H new ATOM 0 HB3 SER A 82 -7.246 28.953 -5.637 1.00 22.34 H new ATOM 0 HG SER A 82 -8.067 27.069 -4.574 1.00 70.15 H new ATOM 1268 N GLU A 83 -8.588 31.195 -6.932 1.00 25.34 N ATOM 1269 CA GLU A 83 -9.080 31.966 -8.066 1.00 54.24 C ATOM 1270 C GLU A 83 -10.477 31.503 -8.474 1.00 10.42 C ATOM 1271 O GLU A 83 -11.239 32.255 -9.082 1.00 43.05 O ATOM 1272 CB GLU A 83 -8.122 31.838 -9.253 1.00 73.54 C ATOM 1273 CG GLU A 83 -7.886 30.402 -9.692 1.00 21.34 C ATOM 1274 CD GLU A 83 -6.541 30.212 -10.366 1.00 34.20 C ATOM 1275 OE1 GLU A 83 -6.312 30.846 -11.417 1.00 65.53 O ATOM 1276 OE2 GLU A 83 -5.719 29.430 -9.844 1.00 13.44 O ATOM 0 H GLU A 83 -7.709 30.707 -7.103 1.00 25.34 H new ATOM 0 HA GLU A 83 -9.136 33.012 -7.764 1.00 54.24 H new ATOM 0 HB2 GLU A 83 -8.521 32.405 -10.094 1.00 73.54 H new ATOM 0 HB3 GLU A 83 -7.166 32.290 -8.988 1.00 73.54 H new ATOM 0 HG2 GLU A 83 -7.949 29.746 -8.824 1.00 21.34 H new ATOM 0 HG3 GLU A 83 -8.678 30.101 -10.378 1.00 21.34 H new ATOM 1283 N PHE A 84 -10.805 30.262 -8.133 1.00 32.12 N ATOM 1284 CA PHE A 84 -12.109 29.698 -8.464 1.00 1.23 C ATOM 1285 C PHE A 84 -13.061 29.797 -7.275 1.00 24.43 C ATOM 1286 O PHE A 84 -14.280 29.759 -7.438 1.00 42.31 O ATOM 1287 CB PHE A 84 -11.961 28.237 -8.895 1.00 32.14 C ATOM 1288 CG PHE A 84 -10.876 28.018 -9.908 1.00 43.24 C ATOM 1289 CD1 PHE A 84 -10.893 28.691 -11.118 1.00 52.45 C ATOM 1290 CD2 PHE A 84 -9.836 27.138 -9.650 1.00 1.33 C ATOM 1291 CE1 PHE A 84 -9.895 28.490 -12.054 1.00 33.22 C ATOM 1292 CE2 PHE A 84 -8.835 26.934 -10.581 1.00 50.01 C ATOM 1293 CZ PHE A 84 -8.864 27.612 -11.783 1.00 62.54 C ATOM 0 H PHE A 84 -10.187 29.627 -7.628 1.00 32.12 H new ATOM 0 HA PHE A 84 -12.528 30.272 -9.290 1.00 1.23 H new ATOM 0 HB2 PHE A 84 -11.755 27.626 -8.016 1.00 32.14 H new ATOM 0 HB3 PHE A 84 -12.908 27.891 -9.308 1.00 32.14 H new ATOM 0 HD1 PHE A 84 -11.695 29.381 -11.333 1.00 52.45 H new ATOM 0 HD2 PHE A 84 -9.808 26.606 -8.711 1.00 1.33 H new ATOM 0 HE1 PHE A 84 -9.922 29.019 -12.995 1.00 33.22 H new ATOM 0 HE2 PHE A 84 -8.031 26.245 -10.368 1.00 50.01 H new ATOM 0 HZ PHE A 84 -8.081 27.456 -12.511 1.00 62.54 H new ATOM 1303 N GLY A 85 -12.494 29.921 -6.079 1.00 14.34 N ATOM 1304 CA GLY A 85 -13.306 30.022 -4.880 1.00 22.22 C ATOM 1305 C GLY A 85 -12.942 28.978 -3.843 1.00 50.43 C ATOM 1306 O GLY A 85 -11.811 28.491 -3.814 1.00 74.53 O ATOM 0 H GLY A 85 -11.487 29.953 -5.919 1.00 14.34 H new ATOM 0 HA2 GLY A 85 -13.188 31.016 -4.448 1.00 22.22 H new ATOM 0 HA3 GLY A 85 -14.357 29.913 -5.147 1.00 22.22 H new ATOM 1310 N TYR A 86 -13.900 28.635 -2.990 1.00 11.20 N ATOM 1311 CA TYR A 86 -13.673 27.645 -1.944 1.00 21.50 C ATOM 1312 C TYR A 86 -13.676 26.233 -2.521 1.00 23.23 C ATOM 1313 O TYR A 86 -14.653 25.801 -3.133 1.00 31.10 O ATOM 1314 CB TYR A 86 -14.742 27.766 -0.857 1.00 34.30 C ATOM 1315 CG TYR A 86 -14.698 29.079 -0.108 1.00 73.35 C ATOM 1316 CD1 TYR A 86 -13.551 29.480 0.565 1.00 32.53 C ATOM 1317 CD2 TYR A 86 -15.805 29.919 -0.073 1.00 71.55 C ATOM 1318 CE1 TYR A 86 -13.507 30.678 1.251 1.00 3.31 C ATOM 1319 CE2 TYR A 86 -15.769 31.120 0.609 1.00 71.45 C ATOM 1320 CZ TYR A 86 -14.618 31.495 1.269 1.00 54.01 C ATOM 1321 OH TYR A 86 -14.579 32.689 1.951 1.00 50.14 O ATOM 0 H TYR A 86 -14.841 29.028 -3.002 1.00 11.20 H new ATOM 0 HA TYR A 86 -12.694 27.836 -1.504 1.00 21.50 H new ATOM 0 HB2 TYR A 86 -15.726 27.650 -1.312 1.00 34.30 H new ATOM 0 HB3 TYR A 86 -14.620 26.948 -0.147 1.00 34.30 H new ATOM 0 HD1 TYR A 86 -12.678 28.844 0.552 1.00 32.53 H new ATOM 0 HD2 TYR A 86 -16.709 29.628 -0.588 1.00 71.55 H new ATOM 0 HE1 TYR A 86 -12.607 30.973 1.771 1.00 3.31 H new ATOM 0 HE2 TYR A 86 -16.638 31.762 0.625 1.00 71.45 H new ATOM 0 HH TYR A 86 -15.442 33.144 1.863 1.00 50.14 H new ATOM 1331 N HIS A 87 -12.574 25.516 -2.320 1.00 24.41 N ATOM 1332 CA HIS A 87 -12.448 24.151 -2.818 1.00 54.43 C ATOM 1333 C HIS A 87 -12.704 23.140 -1.705 1.00 52.21 C ATOM 1334 O HIS A 87 -12.033 23.157 -0.673 1.00 5.11 O ATOM 1335 CB HIS A 87 -11.058 23.929 -3.415 1.00 14.32 C ATOM 1336 CG HIS A 87 -10.848 24.632 -4.722 1.00 25.42 C ATOM 1337 ND1 HIS A 87 -11.031 24.018 -5.943 1.00 53.23 N ATOM 1338 CD2 HIS A 87 -10.468 25.902 -4.992 1.00 71.15 C ATOM 1339 CE1 HIS A 87 -10.773 24.881 -6.909 1.00 42.05 C ATOM 1340 NE2 HIS A 87 -10.430 26.032 -6.359 1.00 24.30 N ATOM 0 H HIS A 87 -11.756 25.858 -1.816 1.00 24.41 H new ATOM 0 HA HIS A 87 -13.197 24.005 -3.596 1.00 54.43 H new ATOM 0 HB2 HIS A 87 -10.307 24.271 -2.703 1.00 14.32 H new ATOM 0 HB3 HIS A 87 -10.899 22.860 -3.557 1.00 14.32 H new ATOM 0 HD1 HIS A 87 -11.320 23.049 -6.079 1.00 53.23 H new ATOM 0 HD2 HIS A 87 -10.238 26.670 -4.268 1.00 71.15 H new ATOM 0 HE1 HIS A 87 -10.832 24.680 -7.968 1.00 42.05 H new ATOM 1348 N ILE A 88 -13.678 22.263 -1.921 1.00 53.44 N ATOM 1349 CA ILE A 88 -14.022 21.246 -0.936 1.00 33.13 C ATOM 1350 C ILE A 88 -13.620 19.856 -1.418 1.00 32.24 C ATOM 1351 O ILE A 88 -14.440 19.116 -1.963 1.00 42.25 O ATOM 1352 CB ILE A 88 -15.529 21.252 -0.621 1.00 52.01 C ATOM 1353 CG1 ILE A 88 -15.973 22.645 -0.169 1.00 25.33 C ATOM 1354 CG2 ILE A 88 -15.854 20.215 0.443 1.00 3.04 C ATOM 1355 CD1 ILE A 88 -15.220 23.155 1.040 1.00 21.24 C ATOM 0 H ILE A 88 -14.243 22.236 -2.770 1.00 53.44 H new ATOM 0 HA ILE A 88 -13.470 21.488 -0.028 1.00 33.13 H new ATOM 0 HB ILE A 88 -16.075 20.994 -1.529 1.00 52.01 H new ATOM 0 HG12 ILE A 88 -15.839 23.346 -0.993 1.00 25.33 H new ATOM 0 HG13 ILE A 88 -17.039 22.622 0.059 1.00 25.33 H new ATOM 0 HG21 ILE A 88 -16.923 20.233 0.654 1.00 3.04 H new ATOM 0 HG22 ILE A 88 -15.571 19.225 0.085 1.00 3.04 H new ATOM 0 HG23 ILE A 88 -15.301 20.443 1.354 1.00 3.04 H new ATOM 0 HD11 ILE A 88 -15.586 24.147 1.305 1.00 21.24 H new ATOM 0 HD12 ILE A 88 -15.374 22.475 1.878 1.00 21.24 H new ATOM 0 HD13 ILE A 88 -14.156 23.211 0.809 1.00 21.24 H new ATOM 1367 N ILE A 89 -12.356 19.506 -1.210 1.00 41.01 N ATOM 1368 CA ILE A 89 -11.847 18.204 -1.621 1.00 45.32 C ATOM 1369 C ILE A 89 -12.230 17.122 -0.618 1.00 23.51 C ATOM 1370 O ILE A 89 -12.085 17.302 0.591 1.00 25.43 O ATOM 1371 CB ILE A 89 -10.314 18.223 -1.778 1.00 70.32 C ATOM 1372 CG1 ILE A 89 -9.875 19.456 -2.572 1.00 34.24 C ATOM 1373 CG2 ILE A 89 -9.836 16.949 -2.462 1.00 12.14 C ATOM 1374 CD1 ILE A 89 -9.147 20.483 -1.735 1.00 43.44 C ATOM 0 H ILE A 89 -11.665 20.106 -0.759 1.00 41.01 H new ATOM 0 HA ILE A 89 -12.301 17.978 -2.586 1.00 45.32 H new ATOM 0 HB ILE A 89 -9.863 18.273 -0.787 1.00 70.32 H new ATOM 0 HG12 ILE A 89 -9.228 19.140 -3.390 1.00 34.24 H new ATOM 0 HG13 ILE A 89 -10.753 19.921 -3.021 1.00 34.24 H new ATOM 0 HG21 ILE A 89 -8.751 16.977 -2.566 1.00 12.14 H new ATOM 0 HG22 ILE A 89 -10.121 16.085 -1.862 1.00 12.14 H new ATOM 0 HG23 ILE A 89 -10.293 16.872 -3.449 1.00 12.14 H new ATOM 0 HD11 ILE A 89 -8.865 21.329 -2.361 1.00 43.44 H new ATOM 0 HD12 ILE A 89 -9.799 20.827 -0.932 1.00 43.44 H new ATOM 0 HD13 ILE A 89 -8.251 20.034 -1.307 1.00 43.44 H new ATOM 1386 N LYS A 90 -12.719 15.996 -1.128 1.00 2.12 N ATOM 1387 CA LYS A 90 -13.121 14.883 -0.277 1.00 30.33 C ATOM 1388 C LYS A 90 -12.632 13.557 -0.850 1.00 30.30 C ATOM 1389 O LYS A 90 -12.926 13.219 -1.997 1.00 32.13 O ATOM 1390 CB LYS A 90 -14.644 14.854 -0.125 1.00 10.21 C ATOM 1391 CG LYS A 90 -15.150 13.693 0.714 1.00 64.33 C ATOM 1392 CD LYS A 90 -16.646 13.488 0.538 1.00 63.13 C ATOM 1393 CE LYS A 90 -17.090 12.136 1.072 1.00 25.42 C ATOM 1394 NZ LYS A 90 -18.572 12.004 1.087 1.00 54.23 N ATOM 0 H LYS A 90 -12.846 15.831 -2.126 1.00 2.12 H new ATOM 0 HA LYS A 90 -12.667 15.025 0.704 1.00 30.33 H new ATOM 0 HB2 LYS A 90 -14.973 15.789 0.328 1.00 10.21 H new ATOM 0 HB3 LYS A 90 -15.098 14.802 -1.114 1.00 10.21 H new ATOM 0 HG2 LYS A 90 -14.621 12.782 0.433 1.00 64.33 H new ATOM 0 HG3 LYS A 90 -14.928 13.879 1.765 1.00 64.33 H new ATOM 0 HD2 LYS A 90 -17.186 14.280 1.056 1.00 63.13 H new ATOM 0 HD3 LYS A 90 -16.903 13.565 -0.518 1.00 63.13 H new ATOM 0 HE2 LYS A 90 -16.661 11.344 0.457 1.00 25.42 H new ATOM 0 HE3 LYS A 90 -16.703 12.000 2.082 1.00 25.42 H new ATOM 0 HZ1 LYS A 90 -18.866 11.486 1.940 1.00 54.23 H new ATOM 0 HZ2 LYS A 90 -19.005 12.950 1.090 1.00 54.23 H new ATOM 0 HZ3 LYS A 90 -18.883 11.484 0.242 1.00 54.23 H new ATOM 1408 N ARG A 91 -11.886 12.808 -0.045 1.00 13.12 N ATOM 1409 CA ARG A 91 -11.357 11.518 -0.473 1.00 2.33 C ATOM 1410 C ARG A 91 -12.448 10.451 -0.459 1.00 44.42 C ATOM 1411 O ARG A 91 -13.345 10.477 0.384 1.00 21.30 O ATOM 1412 CB ARG A 91 -10.200 11.093 0.434 1.00 33.43 C ATOM 1413 CG ARG A 91 -9.356 9.968 -0.144 1.00 70.44 C ATOM 1414 CD ARG A 91 -8.069 9.777 0.642 1.00 22.31 C ATOM 1415 NE ARG A 91 -7.677 8.373 0.720 1.00 34.51 N ATOM 1416 CZ ARG A 91 -6.459 7.966 1.060 1.00 72.23 C ATOM 1417 NH1 ARG A 91 -5.519 8.853 1.352 1.00 42.31 N ATOM 1418 NH2 ARG A 91 -6.181 6.670 1.108 1.00 62.31 N ATOM 0 H ARG A 91 -11.634 13.072 0.907 1.00 13.12 H new ATOM 0 HA ARG A 91 -10.990 11.623 -1.494 1.00 2.33 H new ATOM 0 HB2 ARG A 91 -9.561 11.956 0.622 1.00 33.43 H new ATOM 0 HB3 ARG A 91 -10.601 10.777 1.397 1.00 33.43 H new ATOM 0 HG2 ARG A 91 -9.929 9.041 -0.136 1.00 70.44 H new ATOM 0 HG3 ARG A 91 -9.119 10.188 -1.185 1.00 70.44 H new ATOM 0 HD2 ARG A 91 -7.270 10.351 0.173 1.00 22.31 H new ATOM 0 HD3 ARG A 91 -8.197 10.174 1.649 1.00 22.31 H new ATOM 0 HE ARG A 91 -8.378 7.665 0.501 1.00 34.51 H new ATOM 0 HH11 ARG A 91 -5.730 9.850 1.316 1.00 42.31 H new ATOM 0 HH12 ARG A 91 -4.584 8.539 1.613 1.00 42.31 H new ATOM 0 HH21 ARG A 91 -6.903 5.985 0.884 1.00 62.31 H new ATOM 0 HH22 ARG A 91 -5.246 6.358 1.369 1.00 62.31 H new ATOM 1432 N PHE A 92 -12.364 9.516 -1.399 1.00 11.02 N ATOM 1433 CA PHE A 92 -13.344 8.440 -1.496 1.00 11.33 C ATOM 1434 C PHE A 92 -12.656 7.080 -1.552 1.00 4.21 C ATOM 1435 O PHE A 92 -13.184 6.084 -1.060 1.00 1.13 O ATOM 1436 CB PHE A 92 -14.221 8.632 -2.734 1.00 54.15 C ATOM 1437 CG PHE A 92 -15.306 9.655 -2.549 1.00 22.32 C ATOM 1438 CD1 PHE A 92 -15.008 11.008 -2.549 1.00 31.31 C ATOM 1439 CD2 PHE A 92 -16.624 9.262 -2.374 1.00 5.02 C ATOM 1440 CE1 PHE A 92 -16.004 11.951 -2.378 1.00 33.44 C ATOM 1441 CE2 PHE A 92 -17.624 10.200 -2.203 1.00 41.25 C ATOM 1442 CZ PHE A 92 -17.314 11.546 -2.205 1.00 2.03 C ATOM 0 H PHE A 92 -11.628 9.481 -2.104 1.00 11.02 H new ATOM 0 HA PHE A 92 -13.972 8.473 -0.605 1.00 11.33 H new ATOM 0 HB2 PHE A 92 -13.591 8.930 -3.572 1.00 54.15 H new ATOM 0 HB3 PHE A 92 -14.675 7.677 -2.999 1.00 54.15 H new ATOM 0 HD1 PHE A 92 -13.986 11.330 -2.684 1.00 31.31 H new ATOM 0 HD2 PHE A 92 -16.872 8.211 -2.371 1.00 5.02 H new ATOM 0 HE1 PHE A 92 -15.759 13.003 -2.380 1.00 33.44 H new ATOM 0 HE2 PHE A 92 -18.647 9.881 -2.068 1.00 41.25 H new ATOM 0 HZ PHE A 92 -18.094 12.281 -2.072 1.00 2.03 H new ATOM 1452 N GLY A 93 -11.472 7.047 -2.156 1.00 25.21 N ATOM 1453 CA GLY A 93 -10.730 5.805 -2.266 1.00 63.45 C ATOM 1454 C GLY A 93 -11.565 4.680 -2.848 1.00 51.15 C ATOM 1455 O GLY A 93 -12.130 3.873 -2.111 1.00 25.50 O ATOM 0 H GLY A 93 -11.014 7.858 -2.571 1.00 25.21 H new ATOM 0 HA2 GLY A 93 -9.853 5.964 -2.893 1.00 63.45 H new ATOM 0 HA3 GLY A 93 -10.369 5.513 -1.280 1.00 63.45 H new TER 1459 GLY A 93