USER MOD reduce.3.24.130724 H: found=0, std=0, add=1288, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 1286 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 3 MET CE :methyl 176:sc= -0.0237 (180deg=-0.0265) USER MOD Set 1.2: B 57 THR OG1 : rot 36:sc= 0.0461 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 143:sc= 0.0361 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.00971) USER MOD Single : A 5 LYS NZ :NH3+ -148:sc= 0.103 (180deg=-0.455) USER MOD Single : A 7 LYS NZ :NH3+ -154:sc= -2.34 (180deg=-4.57!) USER MOD Single : A 14 GLN : amide:sc= -0.0891 K(o=-0.089,f=-3.3!) USER MOD Single : A 20 ASN : amide:sc= 0 X(o=0,f=-0.37) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 THR OG1 : rot 180:sc= -0.549 USER MOD Single : A 27 GLN : amide:sc= 0 K(o=0,f=-1.6!) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 GLN : amide:sc= -0.128 K(o=-0.13,f=-3.3!) USER MOD Single : A 31 LYS NZ :NH3+ -170:sc= -0.0193 (180deg=-0.203) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 THR OG1 : rot -71:sc=-0.00895 USER MOD Single : A 35 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.0168) USER MOD Single : A 37 LYS NZ :NH3+ -119:sc= 0.426 (180deg=0.327) USER MOD Single : A 40 LYS NZ :NH3+ -137:sc= -0.149 (180deg=-1.45) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 THR OG1 : rot -120:sc= -1.15 USER MOD Single : A 58 SER OG : rot 180:sc= -0.104 USER MOD Single : A 67 LYS NZ :NH3+ -132:sc= 0.545 (180deg=0.33) USER MOD Single : A 72 HIS : no HE2:sc= 0.0866 K(o=0.087,f=-2!) USER MOD Single : A 73 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 74 HIS : no HD1:sc= 0 X(o=0,f=-0.0086) USER MOD Single : A 75 HIS : no HD1:sc= 0 X(o=0,f=-0.0038) USER MOD Single : A 76 HIS : no HD1:sc=-0.00597 X(o=-0.006,f=-0.33) USER MOD Single : A 77 HIS : no HD1:sc= 0 X(o=0,f=-0.00017) USER MOD Single : B 1 MET CE :methyl -158:sc= -0.156 (180deg=-0.705) USER MOD Single : B 1 MET N :NH3+ -167:sc= -0.0305 (180deg=-0.198) USER MOD Single : B 2 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00435) USER MOD Single : B 3 MET CE :methyl -149:sc= -0.0671 (180deg=-1.23) USER MOD Single : B 5 LYS NZ :NH3+ -166:sc= 0.599 (180deg=0.376) USER MOD Single : B 7 LYS NZ :NH3+ -162:sc= -0.958 (180deg=-1.5!) USER MOD Single : B 14 GLN : amide:sc= -1.07 K(o=-1.1,f=-0.14) USER MOD Single : B 20 ASN : amide:sc= 0 X(o=0,f=-0.45) USER MOD Single : B 22 THR OG1 : rot 180:sc= 0 USER MOD Single : B 26 THR OG1 : rot 180:sc= 0 USER MOD Single : B 27 GLN : amide:sc= 0.319 X(o=0.32,f=0) USER MOD Single : B 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 29 GLN : amide:sc= 0.184 K(o=0.18,f=-3.1!) USER MOD Single : B 31 LYS NZ :NH3+ -149:sc= 0.197 (180deg=-0.368) USER MOD Single : B 32 LYS NZ :NH3+ 167:sc= -0.021 (180deg=-0.219) USER MOD Single : B 34 THR OG1 : rot -76:sc= 0.532 USER MOD Single : B 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 40 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0289) USER MOD Single : B 54 LYS NZ :NH3+ -143:sc= -0.678 (180deg=-2.64!) USER MOD Single : B 58 SER OG : rot 180:sc= 0 USER MOD Single : B 67 LYS NZ :NH3+ 167:sc=-0.00521 (180deg=-0.158) USER MOD Single : B 72 HIS : no HD1:sc= -0.164 X(o=-0.16,f=-0.041) USER MOD Single : B 73 HIS : no HE2:sc= -0.513 K(o=-0.51,f=-1.1) USER MOD Single : B 74 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 75 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 76 HIS : no HD1:sc=-0.00219 X(o=-0.0022,f=0) USER MOD Single : B 77 HIS : no HD1:sc=-0.00534 X(o=-0.0053,f=-0.39) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 7.525 14.704 8.634 1.00 50.54 N ATOM 2 CA MET A 1 7.702 14.156 7.260 1.00 64.24 C ATOM 3 C MET A 1 7.653 15.283 6.208 1.00 34.43 C ATOM 4 O MET A 1 6.982 16.296 6.415 1.00 0.43 O ATOM 5 CB MET A 1 6.619 13.088 6.948 1.00 53.53 C ATOM 6 CG MET A 1 5.177 13.606 6.874 1.00 42.01 C ATOM 7 SD MET A 1 4.031 12.341 6.282 1.00 75.04 S ATOM 8 CE MET A 1 2.473 13.231 6.235 1.00 43.21 C ATOM 0 H1 MET A 1 6.962 14.040 9.203 1.00 50.54 H new ATOM 0 H2 MET A 1 8.456 14.836 9.078 1.00 50.54 H new ATOM 0 H3 MET A 1 7.033 15.619 8.582 1.00 50.54 H new ATOM 0 HA MET A 1 8.682 13.681 7.215 1.00 64.24 H new ATOM 0 HB2 MET A 1 6.865 12.615 5.997 1.00 53.53 H new ATOM 0 HB3 MET A 1 6.668 12.313 7.713 1.00 53.53 H new ATOM 0 HG2 MET A 1 4.863 13.946 7.861 1.00 42.01 H new ATOM 0 HG3 MET A 1 5.136 14.470 6.211 1.00 42.01 H new ATOM 0 HE1 MET A 1 1.684 12.565 5.887 1.00 43.21 H new ATOM 0 HE2 MET A 1 2.229 13.591 7.235 1.00 43.21 H new ATOM 0 HE3 MET A 1 2.559 14.079 5.555 1.00 43.21 H new ATOM 20 N LYS A 2 8.378 15.109 5.083 1.00 54.50 N ATOM 21 CA LYS A 2 8.311 16.050 3.930 1.00 34.44 C ATOM 22 C LYS A 2 7.311 15.543 2.850 1.00 53.51 C ATOM 23 O LYS A 2 6.563 16.335 2.266 1.00 64.35 O ATOM 24 CB LYS A 2 9.722 16.286 3.299 1.00 10.20 C ATOM 25 CG LYS A 2 10.718 17.115 4.167 1.00 73.53 C ATOM 26 CD LYS A 2 11.335 16.319 5.339 1.00 31.32 C ATOM 27 CE LYS A 2 12.296 17.162 6.201 1.00 34.13 C ATOM 28 NZ LYS A 2 11.592 18.249 6.937 1.00 35.42 N ATOM 0 H LYS A 2 9.018 14.328 4.943 1.00 54.50 H new ATOM 0 HA LYS A 2 7.950 17.005 4.313 1.00 34.44 H new ATOM 0 HB2 LYS A 2 10.172 15.316 3.087 1.00 10.20 H new ATOM 0 HB3 LYS A 2 9.592 16.793 2.343 1.00 10.20 H new ATOM 0 HG2 LYS A 2 11.521 17.485 3.529 1.00 73.53 H new ATOM 0 HG3 LYS A 2 10.200 17.987 4.565 1.00 73.53 H new ATOM 0 HD2 LYS A 2 10.534 15.933 5.970 1.00 31.32 H new ATOM 0 HD3 LYS A 2 11.872 15.458 4.943 1.00 31.32 H new ATOM 0 HE2 LYS A 2 12.804 16.513 6.915 1.00 34.13 H new ATOM 0 HE3 LYS A 2 13.065 17.598 5.563 1.00 34.13 H new ATOM 0 HZ1 LYS A 2 12.271 18.755 7.541 1.00 35.42 H new ATOM 0 HZ2 LYS A 2 11.171 18.913 6.256 1.00 35.42 H new ATOM 0 HZ3 LYS A 2 10.842 17.838 7.528 1.00 35.42 H new ATOM 42 N MET A 3 7.316 14.217 2.591 1.00 74.11 N ATOM 43 CA MET A 3 6.430 13.569 1.577 1.00 15.05 C ATOM 44 C MET A 3 5.419 12.597 2.253 1.00 1.22 C ATOM 45 O MET A 3 5.678 12.076 3.342 1.00 33.24 O ATOM 46 CB MET A 3 7.302 12.816 0.528 1.00 40.22 C ATOM 47 CG MET A 3 8.324 13.711 -0.206 1.00 42.23 C ATOM 48 SD MET A 3 7.554 14.937 -1.293 1.00 33.51 S ATOM 49 CE MET A 3 7.085 13.937 -2.707 1.00 42.54 C ATOM 0 H MET A 3 7.930 13.560 3.073 1.00 74.11 H new ATOM 0 HA MET A 3 5.852 14.343 1.072 1.00 15.05 H new ATOM 0 HB2 MET A 3 7.837 12.009 1.029 1.00 40.22 H new ATOM 0 HB3 MET A 3 6.645 12.354 -0.209 1.00 40.22 H new ATOM 0 HG2 MET A 3 8.941 14.226 0.531 1.00 42.23 H new ATOM 0 HG3 MET A 3 8.990 13.081 -0.795 1.00 42.23 H new ATOM 0 HE1 MET A 3 6.537 14.551 -3.422 1.00 42.54 H new ATOM 0 HE2 MET A 3 7.980 13.538 -3.183 1.00 42.54 H new ATOM 0 HE3 MET A 3 6.452 13.114 -2.376 1.00 42.54 H new ATOM 59 N LEU A 4 4.265 12.369 1.586 1.00 61.24 N ATOM 60 CA LEU A 4 3.184 11.465 2.089 1.00 13.12 C ATOM 61 C LEU A 4 3.630 9.975 2.192 1.00 43.12 C ATOM 62 O LEU A 4 3.017 9.195 2.927 1.00 54.33 O ATOM 63 CB LEU A 4 1.924 11.582 1.185 1.00 22.31 C ATOM 64 CG LEU A 4 1.330 13.018 1.002 1.00 54.31 C ATOM 65 CD1 LEU A 4 0.144 13.004 0.010 1.00 43.52 C ATOM 66 CD2 LEU A 4 0.919 13.633 2.361 1.00 41.20 C ATOM 0 H LEU A 4 4.049 12.800 0.687 1.00 61.24 H new ATOM 0 HA LEU A 4 2.948 11.794 3.101 1.00 13.12 H new ATOM 0 HB2 LEU A 4 2.172 11.187 0.200 1.00 22.31 H new ATOM 0 HB3 LEU A 4 1.146 10.941 1.599 1.00 22.31 H new ATOM 0 HG LEU A 4 2.110 13.651 0.579 1.00 54.31 H new ATOM 0 HD11 LEU A 4 -0.251 14.014 -0.099 1.00 43.52 H new ATOM 0 HD12 LEU A 4 0.485 12.641 -0.959 1.00 43.52 H new ATOM 0 HD13 LEU A 4 -0.639 12.347 0.389 1.00 43.52 H new ATOM 0 HD21 LEU A 4 0.510 14.631 2.200 1.00 41.20 H new ATOM 0 HD22 LEU A 4 0.164 13.003 2.832 1.00 41.20 H new ATOM 0 HD23 LEU A 4 1.793 13.699 3.009 1.00 41.20 H new ATOM 78 N LYS A 5 4.678 9.588 1.442 1.00 32.05 N ATOM 79 CA LYS A 5 5.280 8.230 1.541 1.00 12.50 C ATOM 80 C LYS A 5 5.923 7.977 2.931 1.00 5.31 C ATOM 81 O LYS A 5 5.874 6.856 3.442 1.00 21.11 O ATOM 82 CB LYS A 5 6.342 8.010 0.424 1.00 42.21 C ATOM 83 CG LYS A 5 7.489 9.053 0.387 1.00 55.54 C ATOM 84 CD LYS A 5 8.571 8.735 -0.678 1.00 52.34 C ATOM 85 CE LYS A 5 9.353 7.440 -0.382 1.00 31.44 C ATOM 86 NZ LYS A 5 10.164 7.536 0.864 1.00 0.34 N ATOM 0 H LYS A 5 5.132 10.192 0.757 1.00 32.05 H new ATOM 0 HA LYS A 5 4.467 7.516 1.410 1.00 12.50 H new ATOM 0 HB2 LYS A 5 6.778 7.019 0.550 1.00 42.21 H new ATOM 0 HB3 LYS A 5 5.836 8.016 -0.542 1.00 42.21 H new ATOM 0 HG2 LYS A 5 7.069 10.038 0.185 1.00 55.54 H new ATOM 0 HG3 LYS A 5 7.959 9.102 1.369 1.00 55.54 H new ATOM 0 HD2 LYS A 5 8.096 8.649 -1.655 1.00 52.34 H new ATOM 0 HD3 LYS A 5 9.271 9.569 -0.736 1.00 52.34 H new ATOM 0 HE2 LYS A 5 8.653 6.609 -0.293 1.00 31.44 H new ATOM 0 HE3 LYS A 5 10.009 7.215 -1.223 1.00 31.44 H new ATOM 0 HZ1 LYS A 5 11.024 6.960 0.764 1.00 0.34 H new ATOM 0 HZ2 LYS A 5 10.429 8.528 1.030 1.00 0.34 H new ATOM 0 HZ3 LYS A 5 9.606 7.187 1.669 1.00 0.34 H new ATOM 100 N GLU A 6 6.491 9.038 3.536 1.00 53.12 N ATOM 101 CA GLU A 6 7.314 8.930 4.762 1.00 14.44 C ATOM 102 C GLU A 6 6.509 8.372 5.970 1.00 2.43 C ATOM 103 O GLU A 6 7.042 7.584 6.760 1.00 64.33 O ATOM 104 CB GLU A 6 7.908 10.308 5.141 1.00 3.42 C ATOM 105 CG GLU A 6 8.714 11.022 4.033 1.00 73.34 C ATOM 106 CD GLU A 6 9.999 10.287 3.623 1.00 41.12 C ATOM 107 OE1 GLU A 6 10.936 10.208 4.448 1.00 51.54 O ATOM 108 OE2 GLU A 6 10.080 9.784 2.486 1.00 72.33 O ATOM 0 H GLU A 6 6.394 9.993 3.192 1.00 53.12 H new ATOM 0 HA GLU A 6 8.116 8.227 4.537 1.00 14.44 H new ATOM 0 HB2 GLU A 6 7.092 10.962 5.449 1.00 3.42 H new ATOM 0 HB3 GLU A 6 8.556 10.177 6.008 1.00 3.42 H new ATOM 0 HG2 GLU A 6 8.079 11.140 3.155 1.00 73.34 H new ATOM 0 HG3 GLU A 6 8.974 12.024 4.375 1.00 73.34 H new ATOM 115 N LYS A 7 5.225 8.793 6.101 1.00 4.23 N ATOM 116 CA LYS A 7 4.330 8.318 7.191 1.00 2.51 C ATOM 117 C LYS A 7 4.008 6.808 7.054 1.00 14.15 C ATOM 118 O LYS A 7 3.817 6.123 8.057 1.00 42.24 O ATOM 119 CB LYS A 7 3.032 9.199 7.281 1.00 62.24 C ATOM 120 CG LYS A 7 2.117 9.270 6.010 1.00 14.44 C ATOM 121 CD LYS A 7 1.127 8.078 5.816 1.00 14.12 C ATOM 122 CE LYS A 7 -0.055 8.045 6.815 1.00 43.25 C ATOM 123 NZ LYS A 7 0.363 7.777 8.211 1.00 23.13 N ATOM 0 H LYS A 7 4.785 9.460 5.467 1.00 4.23 H new ATOM 0 HA LYS A 7 4.864 8.435 8.134 1.00 2.51 H new ATOM 0 HB2 LYS A 7 2.429 8.826 8.109 1.00 62.24 H new ATOM 0 HB3 LYS A 7 3.332 10.215 7.537 1.00 62.24 H new ATOM 0 HG2 LYS A 7 1.540 10.194 6.053 1.00 14.44 H new ATOM 0 HG3 LYS A 7 2.756 9.334 5.129 1.00 14.44 H new ATOM 0 HD2 LYS A 7 0.727 8.118 4.803 1.00 14.12 H new ATOM 0 HD3 LYS A 7 1.683 7.145 5.902 1.00 14.12 H new ATOM 0 HE2 LYS A 7 -0.580 9.000 6.777 1.00 43.25 H new ATOM 0 HE3 LYS A 7 -0.764 7.279 6.502 1.00 43.25 H new ATOM 0 HZ1 LYS A 7 -0.425 7.340 8.731 1.00 23.13 H new ATOM 0 HZ2 LYS A 7 1.178 7.131 8.211 1.00 23.13 H new ATOM 0 HZ3 LYS A 7 0.629 8.671 8.671 1.00 23.13 H new ATOM 137 N ALA A 8 3.942 6.310 5.804 1.00 71.15 N ATOM 138 CA ALA A 8 3.737 4.868 5.511 1.00 2.13 C ATOM 139 C ALA A 8 4.961 4.028 5.961 1.00 25.34 C ATOM 140 O ALA A 8 4.816 2.895 6.425 1.00 14.55 O ATOM 141 CB ALA A 8 3.460 4.673 4.011 1.00 14.32 C ATOM 0 H ALA A 8 4.028 6.889 4.969 1.00 71.15 H new ATOM 0 HA ALA A 8 2.873 4.518 6.076 1.00 2.13 H new ATOM 0 HB1 ALA A 8 3.311 3.613 3.803 1.00 14.32 H new ATOM 0 HB2 ALA A 8 2.564 5.227 3.731 1.00 14.32 H new ATOM 0 HB3 ALA A 8 4.309 5.040 3.434 1.00 14.32 H new ATOM 147 N GLY A 9 6.162 4.631 5.822 1.00 60.25 N ATOM 148 CA GLY A 9 7.422 4.033 6.295 1.00 60.01 C ATOM 149 C GLY A 9 7.560 4.039 7.820 1.00 54.51 C ATOM 150 O GLY A 9 8.194 3.149 8.404 1.00 40.44 O ATOM 0 H GLY A 9 6.281 5.542 5.380 1.00 60.25 H new ATOM 0 HA2 GLY A 9 7.486 3.006 5.935 1.00 60.01 H new ATOM 0 HA3 GLY A 9 8.260 4.576 5.859 1.00 60.01 H new ATOM 154 N ALA A 10 6.988 5.073 8.461 1.00 60.22 N ATOM 155 CA ALA A 10 6.914 5.175 9.933 1.00 54.12 C ATOM 156 C ALA A 10 6.017 4.055 10.526 1.00 32.34 C ATOM 157 O ALA A 10 6.425 3.332 11.441 1.00 5.33 O ATOM 158 CB ALA A 10 6.395 6.565 10.337 1.00 32.03 C ATOM 0 H ALA A 10 6.563 5.863 7.975 1.00 60.22 H new ATOM 0 HA ALA A 10 7.916 5.043 10.340 1.00 54.12 H new ATOM 0 HB1 ALA A 10 6.343 6.632 11.424 1.00 32.03 H new ATOM 0 HB2 ALA A 10 7.072 7.331 9.958 1.00 32.03 H new ATOM 0 HB3 ALA A 10 5.401 6.719 9.916 1.00 32.03 H new ATOM 164 N LEU A 11 4.803 3.905 9.947 1.00 24.24 N ATOM 165 CA LEU A 11 3.827 2.859 10.354 1.00 53.11 C ATOM 166 C LEU A 11 4.340 1.442 10.014 1.00 34.13 C ATOM 167 O LEU A 11 3.973 0.471 10.675 1.00 12.14 O ATOM 168 CB LEU A 11 2.450 3.111 9.683 1.00 72.52 C ATOM 169 CG LEU A 11 1.830 4.524 9.923 1.00 32.33 C ATOM 170 CD1 LEU A 11 0.452 4.647 9.254 1.00 63.24 C ATOM 171 CD2 LEU A 11 1.780 4.878 11.428 1.00 72.40 C ATOM 0 H LEU A 11 4.471 4.500 9.188 1.00 24.24 H new ATOM 0 HA LEU A 11 3.709 2.919 11.436 1.00 53.11 H new ATOM 0 HB2 LEU A 11 2.556 2.958 8.609 1.00 72.52 H new ATOM 0 HB3 LEU A 11 1.747 2.360 10.044 1.00 72.52 H new ATOM 0 HG LEU A 11 2.484 5.257 9.451 1.00 32.33 H new ATOM 0 HD11 LEU A 11 0.045 5.641 9.438 1.00 63.24 H new ATOM 0 HD12 LEU A 11 0.554 4.490 8.180 1.00 63.24 H new ATOM 0 HD13 LEU A 11 -0.222 3.897 9.668 1.00 63.24 H new ATOM 0 HD21 LEU A 11 1.342 5.868 11.555 1.00 72.40 H new ATOM 0 HD22 LEU A 11 1.172 4.143 11.955 1.00 72.40 H new ATOM 0 HD23 LEU A 11 2.790 4.873 11.837 1.00 72.40 H new ATOM 183 N ALA A 12 5.197 1.353 8.982 1.00 11.41 N ATOM 184 CA ALA A 12 5.900 0.106 8.618 1.00 73.34 C ATOM 185 C ALA A 12 6.782 -0.409 9.778 1.00 1.33 C ATOM 186 O ALA A 12 6.769 -1.600 10.102 1.00 34.21 O ATOM 187 CB ALA A 12 6.754 0.322 7.364 1.00 51.24 C ATOM 0 H ALA A 12 5.423 2.142 8.376 1.00 11.41 H new ATOM 0 HA ALA A 12 5.143 -0.651 8.411 1.00 73.34 H new ATOM 0 HB1 ALA A 12 7.266 -0.606 7.108 1.00 51.24 H new ATOM 0 HB2 ALA A 12 6.114 0.624 6.535 1.00 51.24 H new ATOM 0 HB3 ALA A 12 7.491 1.102 7.556 1.00 51.24 H new ATOM 193 N GLY A 13 7.535 0.524 10.397 1.00 33.12 N ATOM 194 CA GLY A 13 8.362 0.223 11.574 1.00 41.23 C ATOM 195 C GLY A 13 7.547 -0.252 12.787 1.00 33.02 C ATOM 196 O GLY A 13 8.025 -1.065 13.579 1.00 21.40 O ATOM 0 H GLY A 13 7.584 1.497 10.095 1.00 33.12 H new ATOM 0 HA2 GLY A 13 9.089 -0.545 11.311 1.00 41.23 H new ATOM 0 HA3 GLY A 13 8.925 1.114 11.851 1.00 41.23 H new ATOM 200 N GLN A 14 6.309 0.263 12.922 1.00 4.22 N ATOM 201 CA GLN A 14 5.379 -0.123 14.011 1.00 71.24 C ATOM 202 C GLN A 14 4.873 -1.581 13.840 1.00 45.14 C ATOM 203 O GLN A 14 4.899 -2.379 14.786 1.00 74.02 O ATOM 204 CB GLN A 14 4.170 0.859 14.045 1.00 52.22 C ATOM 205 CG GLN A 14 4.527 2.365 14.155 1.00 61.25 C ATOM 206 CD GLN A 14 5.113 2.812 15.507 1.00 31.21 C ATOM 207 OE1 GLN A 14 5.770 2.053 16.214 1.00 21.02 O ATOM 208 NE2 GLN A 14 4.891 4.066 15.871 1.00 60.41 N ATOM 0 H GLN A 14 5.923 0.957 12.282 1.00 4.22 H new ATOM 0 HA GLN A 14 5.923 -0.068 14.954 1.00 71.24 H new ATOM 0 HB2 GLN A 14 3.579 0.710 13.141 1.00 52.22 H new ATOM 0 HB3 GLN A 14 3.534 0.593 14.889 1.00 52.22 H new ATOM 0 HG2 GLN A 14 5.243 2.609 13.370 1.00 61.25 H new ATOM 0 HG3 GLN A 14 3.628 2.949 13.958 1.00 61.25 H new ATOM 0 HE21 GLN A 14 4.343 4.682 15.271 1.00 60.41 H new ATOM 0 HE22 GLN A 14 5.268 4.416 16.752 1.00 60.41 H new ATOM 217 N ILE A 15 4.408 -1.905 12.614 1.00 63.40 N ATOM 218 CA ILE A 15 3.813 -3.226 12.286 1.00 24.41 C ATOM 219 C ILE A 15 4.884 -4.351 12.295 1.00 54.13 C ATOM 220 O ILE A 15 4.672 -5.403 12.903 1.00 24.02 O ATOM 221 CB ILE A 15 3.070 -3.183 10.893 1.00 40.40 C ATOM 222 CG1 ILE A 15 1.991 -2.047 10.885 1.00 12.35 C ATOM 223 CG2 ILE A 15 2.429 -4.555 10.549 1.00 54.02 C ATOM 224 CD1 ILE A 15 1.286 -1.831 9.554 1.00 54.05 C ATOM 0 H ILE A 15 4.433 -1.262 11.823 1.00 63.40 H new ATOM 0 HA ILE A 15 3.081 -3.453 13.061 1.00 24.41 H new ATOM 0 HB ILE A 15 3.811 -2.965 10.124 1.00 40.40 H new ATOM 0 HG12 ILE A 15 1.241 -2.275 11.642 1.00 12.35 H new ATOM 0 HG13 ILE A 15 2.468 -1.113 11.181 1.00 12.35 H new ATOM 0 HG21 ILE A 15 1.926 -4.490 9.584 1.00 54.02 H new ATOM 0 HG22 ILE A 15 3.206 -5.318 10.502 1.00 54.02 H new ATOM 0 HG23 ILE A 15 1.704 -4.821 11.319 1.00 54.02 H new ATOM 0 HD11 ILE A 15 0.560 -1.025 9.654 1.00 54.05 H new ATOM 0 HD12 ILE A 15 2.020 -1.567 8.792 1.00 54.05 H new ATOM 0 HD13 ILE A 15 0.773 -2.747 9.261 1.00 54.05 H new ATOM 236 N TRP A 16 6.042 -4.085 11.647 1.00 54.03 N ATOM 237 CA TRP A 16 7.180 -5.046 11.551 1.00 65.23 C ATOM 238 C TRP A 16 7.664 -5.469 12.961 1.00 73.01 C ATOM 239 O TRP A 16 7.938 -6.648 13.215 1.00 44.12 O ATOM 240 CB TRP A 16 8.357 -4.398 10.751 1.00 1.15 C ATOM 241 CG TRP A 16 9.502 -5.343 10.410 1.00 53.22 C ATOM 242 CD1 TRP A 16 9.669 -6.054 9.249 1.00 2.24 C ATOM 243 CD2 TRP A 16 10.640 -5.677 11.237 1.00 34.53 C ATOM 244 NE1 TRP A 16 10.820 -6.799 9.307 1.00 2.14 N ATOM 245 CE2 TRP A 16 11.433 -6.587 10.512 1.00 74.13 C ATOM 246 CE3 TRP A 16 11.063 -5.293 12.517 1.00 4.15 C ATOM 247 CZ2 TRP A 16 12.611 -7.121 11.022 1.00 72.21 C ATOM 248 CZ3 TRP A 16 12.233 -5.824 13.021 1.00 52.13 C ATOM 249 CH2 TRP A 16 12.997 -6.728 12.274 1.00 24.33 C ATOM 0 H TRP A 16 6.220 -3.199 11.174 1.00 54.03 H new ATOM 0 HA TRP A 16 6.837 -5.937 11.026 1.00 65.23 H new ATOM 0 HB2 TRP A 16 7.961 -3.982 9.824 1.00 1.15 H new ATOM 0 HB3 TRP A 16 8.754 -3.564 11.330 1.00 1.15 H new ATOM 0 HD1 TRP A 16 8.991 -6.031 8.409 1.00 2.24 H new ATOM 0 HE1 TRP A 16 11.164 -7.413 8.569 1.00 2.14 H new ATOM 0 HE3 TRP A 16 10.483 -4.593 13.100 1.00 4.15 H new ATOM 0 HZ2 TRP A 16 13.201 -7.822 10.450 1.00 72.21 H new ATOM 0 HZ3 TRP A 16 12.564 -5.537 14.008 1.00 52.13 H new ATOM 0 HH2 TRP A 16 13.910 -7.123 12.695 1.00 24.33 H new ATOM 260 N GLU A 17 7.758 -4.466 13.856 1.00 61.23 N ATOM 261 CA GLU A 17 8.201 -4.632 15.260 1.00 33.12 C ATOM 262 C GLU A 17 7.273 -5.620 16.025 1.00 25.52 C ATOM 263 O GLU A 17 7.750 -6.506 16.743 1.00 42.42 O ATOM 264 CB GLU A 17 8.238 -3.218 15.934 1.00 4.22 C ATOM 265 CG GLU A 17 9.073 -3.073 17.232 1.00 22.30 C ATOM 266 CD GLU A 17 8.410 -3.647 18.499 1.00 62.23 C ATOM 267 OE1 GLU A 17 7.407 -3.071 18.964 1.00 5.12 O ATOM 268 OE2 GLU A 17 8.903 -4.651 19.053 1.00 41.14 O ATOM 0 H GLU A 17 7.525 -3.501 13.623 1.00 61.23 H new ATOM 0 HA GLU A 17 9.200 -5.067 15.290 1.00 33.12 H new ATOM 0 HB2 GLU A 17 8.622 -2.506 15.204 1.00 4.22 H new ATOM 0 HB3 GLU A 17 7.213 -2.923 16.157 1.00 4.22 H new ATOM 0 HG2 GLU A 17 10.033 -3.568 17.086 1.00 22.30 H new ATOM 0 HG3 GLU A 17 9.281 -2.016 17.396 1.00 22.30 H new ATOM 275 N ALA A 18 5.949 -5.470 15.820 1.00 45.55 N ATOM 276 CA ALA A 18 4.919 -6.351 16.432 1.00 22.22 C ATOM 277 C ALA A 18 4.977 -7.812 15.883 1.00 15.32 C ATOM 278 O ALA A 18 4.625 -8.765 16.593 1.00 22.51 O ATOM 279 CB ALA A 18 3.520 -5.743 16.211 1.00 1.11 C ATOM 0 H ALA A 18 5.558 -4.738 15.227 1.00 45.55 H new ATOM 0 HA ALA A 18 5.129 -6.412 17.500 1.00 22.22 H new ATOM 0 HB1 ALA A 18 2.767 -6.390 16.660 1.00 1.11 H new ATOM 0 HB2 ALA A 18 3.474 -4.757 16.674 1.00 1.11 H new ATOM 0 HB3 ALA A 18 3.328 -5.651 15.142 1.00 1.11 H new ATOM 285 N LEU A 19 5.429 -7.972 14.621 1.00 13.33 N ATOM 286 CA LEU A 19 5.561 -9.302 13.963 1.00 64.50 C ATOM 287 C LEU A 19 6.904 -9.993 14.337 1.00 11.42 C ATOM 288 O LEU A 19 7.014 -11.226 14.280 1.00 23.12 O ATOM 289 CB LEU A 19 5.451 -9.141 12.417 1.00 2.44 C ATOM 290 CG LEU A 19 4.180 -8.397 11.887 1.00 15.01 C ATOM 291 CD1 LEU A 19 4.178 -8.309 10.348 1.00 13.33 C ATOM 292 CD2 LEU A 19 2.882 -9.043 12.412 1.00 61.01 C ATOM 0 H LEU A 19 5.713 -7.192 14.028 1.00 13.33 H new ATOM 0 HA LEU A 19 4.751 -9.938 14.320 1.00 64.50 H new ATOM 0 HB2 LEU A 19 6.333 -8.606 12.065 1.00 2.44 H new ATOM 0 HB3 LEU A 19 5.480 -10.133 11.967 1.00 2.44 H new ATOM 0 HG LEU A 19 4.218 -7.379 12.275 1.00 15.01 H new ATOM 0 HD11 LEU A 19 3.281 -7.786 10.015 1.00 13.33 H new ATOM 0 HD12 LEU A 19 5.061 -7.764 10.014 1.00 13.33 H new ATOM 0 HD13 LEU A 19 4.190 -9.314 9.926 1.00 13.33 H new ATOM 0 HD21 LEU A 19 2.021 -8.499 12.023 1.00 61.01 H new ATOM 0 HD22 LEU A 19 2.834 -10.081 12.084 1.00 61.01 H new ATOM 0 HD23 LEU A 19 2.872 -9.006 13.501 1.00 61.01 H new ATOM 304 N ASN A 20 7.920 -9.179 14.701 1.00 54.35 N ATOM 305 CA ASN A 20 9.275 -9.662 15.056 1.00 65.01 C ATOM 306 C ASN A 20 9.276 -10.417 16.416 1.00 23.12 C ATOM 307 O ASN A 20 8.641 -9.978 17.383 1.00 30.05 O ATOM 308 CB ASN A 20 10.264 -8.463 15.086 1.00 61.54 C ATOM 309 CG ASN A 20 11.733 -8.867 15.293 1.00 42.32 C ATOM 310 OD1 ASN A 20 12.164 -9.956 14.916 1.00 3.22 O ATOM 311 ND2 ASN A 20 12.521 -7.976 15.865 1.00 71.31 N ATOM 0 H ASN A 20 7.824 -8.165 14.757 1.00 54.35 H new ATOM 0 HA ASN A 20 9.598 -10.373 14.296 1.00 65.01 H new ATOM 0 HB2 ASN A 20 10.178 -7.912 14.150 1.00 61.54 H new ATOM 0 HB3 ASN A 20 9.969 -7.782 15.885 1.00 61.54 H new ATOM 0 HD21 ASN A 20 13.510 -8.184 16.003 1.00 71.31 H new ATOM 0 HD22 ASN A 20 12.141 -7.080 16.169 1.00 71.31 H new ATOM 318 N GLY A 21 9.996 -11.563 16.463 1.00 11.13 N ATOM 319 CA GLY A 21 10.020 -12.450 17.647 1.00 35.13 C ATOM 320 C GLY A 21 8.716 -13.237 17.861 1.00 21.15 C ATOM 321 O GLY A 21 8.525 -13.878 18.897 1.00 54.40 O ATOM 0 H GLY A 21 10.571 -11.895 15.689 1.00 11.13 H new ATOM 0 HA2 GLY A 21 10.846 -13.154 17.545 1.00 35.13 H new ATOM 0 HA3 GLY A 21 10.221 -11.850 18.535 1.00 35.13 H new ATOM 325 N THR A 22 7.828 -13.181 16.860 1.00 22.11 N ATOM 326 CA THR A 22 6.492 -13.817 16.878 1.00 33.41 C ATOM 327 C THR A 22 6.278 -14.540 15.523 1.00 31.11 C ATOM 328 O THR A 22 7.052 -14.329 14.578 1.00 42.30 O ATOM 329 CB THR A 22 5.375 -12.710 17.084 1.00 74.55 C ATOM 330 OG1 THR A 22 5.767 -11.790 18.128 1.00 10.45 O ATOM 331 CG2 THR A 22 3.991 -13.292 17.449 1.00 51.43 C ATOM 0 H THR A 22 8.017 -12.681 15.991 1.00 22.11 H new ATOM 0 HA THR A 22 6.426 -14.533 17.697 1.00 33.41 H new ATOM 0 HB THR A 22 5.283 -12.202 16.124 1.00 74.55 H new ATOM 0 HG1 THR A 22 5.070 -11.111 18.244 1.00 10.45 H new ATOM 0 HG21 THR A 22 3.276 -12.479 17.575 1.00 51.43 H new ATOM 0 HG22 THR A 22 3.652 -13.953 16.651 1.00 51.43 H new ATOM 0 HG23 THR A 22 4.067 -13.856 18.379 1.00 51.43 H new ATOM 339 N GLU A 23 5.220 -15.360 15.410 1.00 44.23 N ATOM 340 CA GLU A 23 4.767 -15.915 14.106 1.00 60.34 C ATOM 341 C GLU A 23 3.768 -14.954 13.421 1.00 4.15 C ATOM 342 O GLU A 23 2.922 -15.382 12.623 1.00 14.11 O ATOM 343 CB GLU A 23 4.125 -17.314 14.287 1.00 63.51 C ATOM 344 CG GLU A 23 5.121 -18.462 14.550 1.00 41.13 C ATOM 345 CD GLU A 23 4.487 -19.849 14.345 1.00 70.35 C ATOM 346 OE1 GLU A 23 3.862 -20.063 13.277 1.00 31.14 O ATOM 347 OE2 GLU A 23 4.618 -20.736 15.214 1.00 5.14 O ATOM 0 H GLU A 23 4.655 -15.659 16.205 1.00 44.23 H new ATOM 0 HA GLU A 23 5.644 -16.022 13.468 1.00 60.34 H new ATOM 0 HB2 GLU A 23 3.420 -17.268 15.117 1.00 63.51 H new ATOM 0 HB3 GLU A 23 3.549 -17.551 13.392 1.00 63.51 H new ATOM 0 HG2 GLU A 23 5.978 -18.355 13.884 1.00 41.13 H new ATOM 0 HG3 GLU A 23 5.498 -18.385 15.570 1.00 41.13 H new ATOM 354 N GLY A 24 3.911 -13.646 13.695 1.00 31.13 N ATOM 355 CA GLY A 24 3.015 -12.632 13.161 1.00 43.21 C ATOM 356 C GLY A 24 1.694 -12.518 13.916 1.00 74.34 C ATOM 357 O GLY A 24 1.465 -13.201 14.919 1.00 51.33 O ATOM 0 H GLY A 24 4.650 -13.274 14.291 1.00 31.13 H new ATOM 0 HA2 GLY A 24 3.520 -11.666 13.183 1.00 43.21 H new ATOM 0 HA3 GLY A 24 2.807 -12.859 12.115 1.00 43.21 H new ATOM 361 N LEU A 25 0.816 -11.657 13.398 1.00 35.12 N ATOM 362 CA LEU A 25 -0.477 -11.310 14.025 1.00 4.50 C ATOM 363 C LEU A 25 -1.533 -11.064 12.924 1.00 60.02 C ATOM 364 O LEU A 25 -1.187 -10.887 11.744 1.00 32.21 O ATOM 365 CB LEU A 25 -0.331 -10.033 14.919 1.00 22.25 C ATOM 366 CG LEU A 25 0.540 -10.152 16.218 1.00 11.31 C ATOM 367 CD1 LEU A 25 0.699 -8.778 16.909 1.00 61.14 C ATOM 368 CD2 LEU A 25 -0.043 -11.204 17.195 1.00 20.11 C ATOM 0 H LEU A 25 0.979 -11.169 12.517 1.00 35.12 H new ATOM 0 HA LEU A 25 -0.795 -12.138 14.658 1.00 4.50 H new ATOM 0 HB2 LEU A 25 0.091 -9.238 14.303 1.00 22.25 H new ATOM 0 HB3 LEU A 25 -1.331 -9.712 15.213 1.00 22.25 H new ATOM 0 HG LEU A 25 1.531 -10.494 15.920 1.00 11.31 H new ATOM 0 HD11 LEU A 25 1.307 -8.890 17.807 1.00 61.14 H new ATOM 0 HD12 LEU A 25 1.185 -8.081 16.226 1.00 61.14 H new ATOM 0 HD13 LEU A 25 -0.283 -8.392 17.182 1.00 61.14 H new ATOM 0 HD21 LEU A 25 0.584 -11.261 18.085 1.00 20.11 H new ATOM 0 HD22 LEU A 25 -1.054 -10.913 17.482 1.00 20.11 H new ATOM 0 HD23 LEU A 25 -0.070 -12.178 16.707 1.00 20.11 H new ATOM 380 N THR A 26 -2.821 -11.063 13.312 1.00 35.31 N ATOM 381 CA THR A 26 -3.919 -10.627 12.416 1.00 61.23 C ATOM 382 C THR A 26 -3.958 -9.088 12.364 1.00 63.24 C ATOM 383 O THR A 26 -3.361 -8.426 13.226 1.00 52.31 O ATOM 384 CB THR A 26 -5.324 -11.142 12.886 1.00 24.10 C ATOM 385 OG1 THR A 26 -5.645 -10.578 14.171 1.00 61.23 O ATOM 386 CG2 THR A 26 -5.385 -12.683 12.961 1.00 3.44 C ATOM 0 H THR A 26 -3.132 -11.358 14.238 1.00 35.31 H new ATOM 0 HA THR A 26 -3.715 -11.052 11.433 1.00 61.23 H new ATOM 0 HB THR A 26 -6.056 -10.821 12.145 1.00 24.10 H new ATOM 0 HG1 THR A 26 -6.524 -10.901 14.460 1.00 61.23 H new ATOM 0 HG21 THR A 26 -6.377 -12.992 13.291 1.00 3.44 H new ATOM 0 HG22 THR A 26 -5.183 -13.104 11.976 1.00 3.44 H new ATOM 0 HG23 THR A 26 -4.639 -13.043 13.669 1.00 3.44 H new ATOM 394 N GLN A 27 -4.675 -8.522 11.372 1.00 72.23 N ATOM 395 CA GLN A 27 -4.823 -7.057 11.228 1.00 31.11 C ATOM 396 C GLN A 27 -5.360 -6.433 12.540 1.00 45.42 C ATOM 397 O GLN A 27 -4.897 -5.391 12.962 1.00 22.11 O ATOM 398 CB GLN A 27 -5.760 -6.705 10.027 1.00 34.12 C ATOM 399 CG GLN A 27 -7.233 -7.143 10.189 1.00 41.35 C ATOM 400 CD GLN A 27 -8.138 -6.666 9.062 1.00 53.51 C ATOM 401 OE1 GLN A 27 -8.374 -7.376 8.092 1.00 60.41 O ATOM 402 NE2 GLN A 27 -8.616 -5.437 9.161 1.00 22.50 N ATOM 0 H GLN A 27 -5.163 -9.059 10.655 1.00 72.23 H new ATOM 0 HA GLN A 27 -3.839 -6.636 11.023 1.00 31.11 H new ATOM 0 HB2 GLN A 27 -5.734 -5.627 9.871 1.00 34.12 H new ATOM 0 HB3 GLN A 27 -5.358 -7.167 9.126 1.00 34.12 H new ATOM 0 HG2 GLN A 27 -7.276 -8.231 10.243 1.00 41.35 H new ATOM 0 HG3 GLN A 27 -7.615 -6.762 11.136 1.00 41.35 H new ATOM 0 HE21 GLN A 27 -8.401 -4.871 9.982 1.00 22.50 H new ATOM 0 HE22 GLN A 27 -9.199 -5.055 8.417 1.00 22.50 H new ATOM 411 N LYS A 28 -6.307 -7.152 13.172 1.00 2.35 N ATOM 412 CA LYS A 28 -6.944 -6.780 14.455 1.00 70.50 C ATOM 413 C LYS A 28 -5.905 -6.599 15.587 1.00 31.34 C ATOM 414 O LYS A 28 -5.871 -5.562 16.253 1.00 22.32 O ATOM 415 CB LYS A 28 -7.965 -7.885 14.841 1.00 43.04 C ATOM 416 CG LYS A 28 -9.042 -8.168 13.764 1.00 55.02 C ATOM 417 CD LYS A 28 -10.067 -7.018 13.588 1.00 34.11 C ATOM 418 CE LYS A 28 -10.937 -6.805 14.842 1.00 11.05 C ATOM 419 NZ LYS A 28 -12.078 -5.899 14.589 1.00 15.32 N ATOM 0 H LYS A 28 -6.661 -8.032 12.796 1.00 2.35 H new ATOM 0 HA LYS A 28 -7.448 -5.822 14.327 1.00 70.50 H new ATOM 0 HB2 LYS A 28 -7.422 -8.808 15.046 1.00 43.04 H new ATOM 0 HB3 LYS A 28 -8.462 -7.595 15.767 1.00 43.04 H new ATOM 0 HG2 LYS A 28 -8.549 -8.352 12.810 1.00 55.02 H new ATOM 0 HG3 LYS A 28 -9.576 -9.081 14.028 1.00 55.02 H new ATOM 0 HD2 LYS A 28 -9.536 -6.095 13.357 1.00 34.11 H new ATOM 0 HD3 LYS A 28 -10.711 -7.237 12.736 1.00 34.11 H new ATOM 0 HE2 LYS A 28 -11.311 -7.768 15.189 1.00 11.05 H new ATOM 0 HE3 LYS A 28 -10.321 -6.395 15.643 1.00 11.05 H new ATOM 0 HZ1 LYS A 28 -12.633 -5.787 15.462 1.00 15.32 H new ATOM 0 HZ2 LYS A 28 -11.723 -4.971 14.283 1.00 15.32 H new ATOM 0 HZ3 LYS A 28 -12.682 -6.301 13.844 1.00 15.32 H new ATOM 433 N GLN A 29 -5.050 -7.625 15.765 1.00 3.32 N ATOM 434 CA GLN A 29 -4.013 -7.655 16.827 1.00 1.33 C ATOM 435 C GLN A 29 -2.941 -6.564 16.601 1.00 44.44 C ATOM 436 O GLN A 29 -2.408 -5.989 17.555 1.00 64.21 O ATOM 437 CB GLN A 29 -3.348 -9.060 16.878 1.00 52.23 C ATOM 438 CG GLN A 29 -4.321 -10.247 17.117 1.00 52.42 C ATOM 439 CD GLN A 29 -4.918 -10.335 18.531 1.00 23.34 C ATOM 440 OE1 GLN A 29 -5.087 -9.341 19.229 1.00 32.30 O ATOM 441 NE2 GLN A 29 -5.288 -11.533 18.948 1.00 52.23 N ATOM 0 H GLN A 29 -5.055 -8.459 15.178 1.00 3.32 H new ATOM 0 HA GLN A 29 -4.499 -7.451 17.781 1.00 1.33 H new ATOM 0 HB2 GLN A 29 -2.820 -9.228 15.939 1.00 52.23 H new ATOM 0 HB3 GLN A 29 -2.599 -9.061 17.670 1.00 52.23 H new ATOM 0 HG2 GLN A 29 -5.138 -10.175 16.400 1.00 52.42 H new ATOM 0 HG3 GLN A 29 -3.792 -11.176 16.906 1.00 52.42 H new ATOM 0 HE21 GLN A 29 -5.139 -12.348 18.353 1.00 52.23 H new ATOM 0 HE22 GLN A 29 -5.722 -11.642 19.864 1.00 52.23 H new ATOM 450 N ILE A 30 -2.640 -6.300 15.318 1.00 3.05 N ATOM 451 CA ILE A 30 -1.686 -5.254 14.906 1.00 34.52 C ATOM 452 C ILE A 30 -2.261 -3.839 15.158 1.00 40.31 C ATOM 453 O ILE A 30 -1.546 -2.976 15.632 1.00 35.42 O ATOM 454 CB ILE A 30 -1.289 -5.432 13.396 1.00 20.23 C ATOM 455 CG1 ILE A 30 -0.568 -6.804 13.190 1.00 73.54 C ATOM 456 CG2 ILE A 30 -0.410 -4.261 12.891 1.00 20.42 C ATOM 457 CD1 ILE A 30 -0.324 -7.199 11.744 1.00 73.53 C ATOM 0 H ILE A 30 -3.052 -6.807 14.535 1.00 3.05 H new ATOM 0 HA ILE A 30 -0.788 -5.361 15.514 1.00 34.52 H new ATOM 0 HB ILE A 30 -2.204 -5.422 12.803 1.00 20.23 H new ATOM 0 HG12 ILE A 30 0.391 -6.773 13.708 1.00 73.54 H new ATOM 0 HG13 ILE A 30 -1.163 -7.583 13.667 1.00 73.54 H new ATOM 0 HG21 ILE A 30 -0.157 -4.422 11.843 1.00 20.42 H new ATOM 0 HG22 ILE A 30 -0.958 -3.324 12.992 1.00 20.42 H new ATOM 0 HG23 ILE A 30 0.505 -4.212 13.482 1.00 20.42 H new ATOM 0 HD11 ILE A 30 0.181 -8.165 11.711 1.00 73.53 H new ATOM 0 HD12 ILE A 30 -1.277 -7.269 11.220 1.00 73.53 H new ATOM 0 HD13 ILE A 30 0.300 -6.447 11.262 1.00 73.53 H new ATOM 469 N LYS A 31 -3.557 -3.632 14.856 1.00 12.23 N ATOM 470 CA LYS A 31 -4.258 -2.335 15.097 1.00 51.01 C ATOM 471 C LYS A 31 -4.216 -1.941 16.593 1.00 14.05 C ATOM 472 O LYS A 31 -4.048 -0.768 16.933 1.00 51.45 O ATOM 473 CB LYS A 31 -5.737 -2.422 14.620 1.00 72.11 C ATOM 474 CG LYS A 31 -5.932 -2.531 13.088 1.00 23.43 C ATOM 475 CD LYS A 31 -5.589 -1.237 12.325 1.00 54.45 C ATOM 476 CE LYS A 31 -6.481 -0.063 12.750 1.00 63.24 C ATOM 477 NZ LYS A 31 -7.930 -0.380 12.609 1.00 53.43 N ATOM 0 H LYS A 31 -4.153 -4.348 14.440 1.00 12.23 H new ATOM 0 HA LYS A 31 -3.737 -1.567 14.525 1.00 51.01 H new ATOM 0 HB2 LYS A 31 -6.203 -3.287 15.092 1.00 72.11 H new ATOM 0 HB3 LYS A 31 -6.269 -1.540 14.976 1.00 72.11 H new ATOM 0 HG2 LYS A 31 -5.310 -3.342 12.708 1.00 23.43 H new ATOM 0 HG3 LYS A 31 -6.968 -2.800 12.881 1.00 23.43 H new ATOM 0 HD2 LYS A 31 -4.544 -0.980 12.500 1.00 54.45 H new ATOM 0 HD3 LYS A 31 -5.701 -1.408 11.254 1.00 54.45 H new ATOM 0 HE2 LYS A 31 -6.267 0.198 13.786 1.00 63.24 H new ATOM 0 HE3 LYS A 31 -6.241 0.811 12.145 1.00 63.24 H new ATOM 0 HZ1 LYS A 31 -8.490 0.486 12.742 1.00 53.43 H new ATOM 0 HZ2 LYS A 31 -8.110 -0.766 11.660 1.00 53.43 H new ATOM 0 HZ3 LYS A 31 -8.203 -1.082 13.326 1.00 53.43 H new ATOM 491 N LYS A 32 -4.377 -2.955 17.457 1.00 11.41 N ATOM 492 CA LYS A 32 -4.286 -2.804 18.925 1.00 14.15 C ATOM 493 C LYS A 32 -2.840 -2.491 19.383 1.00 25.31 C ATOM 494 O LYS A 32 -2.631 -1.664 20.271 1.00 12.53 O ATOM 495 CB LYS A 32 -4.797 -4.099 19.607 1.00 62.24 C ATOM 496 CG LYS A 32 -6.283 -4.434 19.326 1.00 51.12 C ATOM 497 CD LYS A 32 -7.272 -3.416 19.952 1.00 73.22 C ATOM 498 CE LYS A 32 -7.215 -3.415 21.490 1.00 13.34 C ATOM 499 NZ LYS A 32 -8.173 -2.463 22.085 1.00 51.34 N ATOM 0 H LYS A 32 -4.575 -3.910 17.159 1.00 11.41 H new ATOM 0 HA LYS A 32 -4.909 -1.960 19.220 1.00 14.15 H new ATOM 0 HB2 LYS A 32 -4.181 -4.935 19.276 1.00 62.24 H new ATOM 0 HB3 LYS A 32 -4.657 -4.006 20.684 1.00 62.24 H new ATOM 0 HG2 LYS A 32 -6.443 -4.469 18.248 1.00 51.12 H new ATOM 0 HG3 LYS A 32 -6.503 -5.429 19.713 1.00 51.12 H new ATOM 0 HD2 LYS A 32 -7.044 -2.417 19.582 1.00 73.22 H new ATOM 0 HD3 LYS A 32 -8.286 -3.652 19.629 1.00 73.22 H new ATOM 0 HE2 LYS A 32 -7.426 -4.418 21.860 1.00 13.34 H new ATOM 0 HE3 LYS A 32 -6.206 -3.162 21.814 1.00 13.34 H new ATOM 0 HZ1 LYS A 32 -8.098 -2.498 23.122 1.00 51.34 H new ATOM 0 HZ2 LYS A 32 -7.957 -1.501 21.754 1.00 51.34 H new ATOM 0 HZ3 LYS A 32 -9.140 -2.719 21.799 1.00 51.34 H new ATOM 513 N ALA A 33 -1.856 -3.177 18.780 1.00 30.11 N ATOM 514 CA ALA A 33 -0.417 -3.015 19.116 1.00 53.02 C ATOM 515 C ALA A 33 0.136 -1.630 18.690 1.00 52.31 C ATOM 516 O ALA A 33 0.819 -0.948 19.460 1.00 50.33 O ATOM 517 CB ALA A 33 0.392 -4.144 18.451 1.00 3.13 C ATOM 0 H ALA A 33 -2.027 -3.862 18.044 1.00 30.11 H new ATOM 0 HA ALA A 33 -0.317 -3.074 20.200 1.00 53.02 H new ATOM 0 HB1 ALA A 33 1.448 -4.028 18.696 1.00 3.13 H new ATOM 0 HB2 ALA A 33 0.039 -5.108 18.816 1.00 3.13 H new ATOM 0 HB3 ALA A 33 0.263 -4.096 17.370 1.00 3.13 H new ATOM 523 N THR A 34 -0.198 -1.232 17.456 1.00 72.43 N ATOM 524 CA THR A 34 0.349 -0.020 16.788 1.00 42.32 C ATOM 525 C THR A 34 -0.515 1.237 17.044 1.00 32.02 C ATOM 526 O THR A 34 -0.072 2.357 16.755 1.00 2.44 O ATOM 527 CB THR A 34 0.470 -0.252 15.243 1.00 10.34 C ATOM 528 OG1 THR A 34 -0.837 -0.451 14.674 1.00 61.53 O ATOM 529 CG2 THR A 34 1.354 -1.471 14.915 1.00 11.45 C ATOM 0 H THR A 34 -0.864 -1.742 16.876 1.00 72.43 H new ATOM 0 HA THR A 34 1.335 0.154 17.219 1.00 42.32 H new ATOM 0 HB THR A 34 0.937 0.635 14.814 1.00 10.34 H new ATOM 0 HG1 THR A 34 -1.185 -1.324 14.951 1.00 61.53 H new ATOM 0 HG21 THR A 34 1.412 -1.598 13.834 1.00 11.45 H new ATOM 0 HG22 THR A 34 2.355 -1.313 15.317 1.00 11.45 H new ATOM 0 HG23 THR A 34 0.921 -2.366 15.362 1.00 11.45 H new ATOM 537 N LYS A 35 -1.761 1.022 17.541 1.00 14.53 N ATOM 538 CA LYS A 35 -2.698 2.100 17.969 1.00 44.21 C ATOM 539 C LYS A 35 -3.162 2.976 16.768 1.00 41.23 C ATOM 540 O LYS A 35 -3.273 4.204 16.882 1.00 53.11 O ATOM 541 CB LYS A 35 -2.067 2.962 19.119 1.00 41.13 C ATOM 542 CG LYS A 35 -1.754 2.177 20.419 1.00 1.53 C ATOM 543 CD LYS A 35 -3.029 1.661 21.131 1.00 20.43 C ATOM 544 CE LYS A 35 -2.716 0.773 22.351 1.00 32.52 C ATOM 545 NZ LYS A 35 -1.849 1.450 23.355 1.00 44.33 N ATOM 0 H LYS A 35 -2.150 0.086 17.658 1.00 14.53 H new ATOM 0 HA LYS A 35 -3.594 1.624 18.367 1.00 44.21 H new ATOM 0 HB2 LYS A 35 -1.145 3.413 18.752 1.00 41.13 H new ATOM 0 HB3 LYS A 35 -2.748 3.778 19.359 1.00 41.13 H new ATOM 0 HG2 LYS A 35 -1.109 1.331 20.181 1.00 1.53 H new ATOM 0 HG3 LYS A 35 -1.198 2.820 21.101 1.00 1.53 H new ATOM 0 HD2 LYS A 35 -3.630 2.512 21.452 1.00 20.43 H new ATOM 0 HD3 LYS A 35 -3.632 1.095 20.421 1.00 20.43 H new ATOM 0 HE2 LYS A 35 -3.651 0.476 22.827 1.00 32.52 H new ATOM 0 HE3 LYS A 35 -2.226 -0.140 22.013 1.00 32.52 H new ATOM 0 HZ1 LYS A 35 -1.700 0.818 24.168 1.00 44.33 H new ATOM 0 HZ2 LYS A 35 -0.932 1.680 22.923 1.00 44.33 H new ATOM 0 HZ3 LYS A 35 -2.309 2.325 23.677 1.00 44.33 H new ATOM 559 N LEU A 36 -3.468 2.320 15.625 1.00 13.10 N ATOM 560 CA LEU A 36 -3.882 3.025 14.385 1.00 21.30 C ATOM 561 C LEU A 36 -5.394 3.368 14.401 1.00 32.51 C ATOM 562 O LEU A 36 -6.226 2.546 14.809 1.00 4.03 O ATOM 563 CB LEU A 36 -3.520 2.182 13.130 1.00 73.11 C ATOM 564 CG LEU A 36 -1.993 1.941 12.902 1.00 71.03 C ATOM 565 CD1 LEU A 36 -1.736 1.024 11.686 1.00 52.25 C ATOM 566 CD2 LEU A 36 -1.228 3.276 12.770 1.00 73.33 C ATOM 0 H LEU A 36 -3.437 1.305 15.534 1.00 13.10 H new ATOM 0 HA LEU A 36 -3.334 3.966 14.340 1.00 21.30 H new ATOM 0 HB2 LEU A 36 -4.016 1.214 13.208 1.00 73.11 H new ATOM 0 HB3 LEU A 36 -3.928 2.679 12.250 1.00 73.11 H new ATOM 0 HG LEU A 36 -1.611 1.426 13.783 1.00 71.03 H new ATOM 0 HD11 LEU A 36 -0.663 0.880 11.559 1.00 52.25 H new ATOM 0 HD12 LEU A 36 -2.215 0.059 11.850 1.00 52.25 H new ATOM 0 HD13 LEU A 36 -2.148 1.485 10.789 1.00 52.25 H new ATOM 0 HD21 LEU A 36 -0.169 3.074 12.612 1.00 73.33 H new ATOM 0 HD22 LEU A 36 -1.620 3.838 11.923 1.00 73.33 H new ATOM 0 HD23 LEU A 36 -1.354 3.859 13.682 1.00 73.33 H new ATOM 578 N LYS A 37 -5.723 4.593 13.944 1.00 30.54 N ATOM 579 CA LYS A 37 -7.112 5.108 13.880 1.00 5.03 C ATOM 580 C LYS A 37 -7.989 4.333 12.853 1.00 22.22 C ATOM 581 O LYS A 37 -9.181 4.104 13.092 1.00 54.54 O ATOM 582 CB LYS A 37 -7.093 6.631 13.556 1.00 20.05 C ATOM 583 CG LYS A 37 -6.288 7.013 12.290 1.00 63.41 C ATOM 584 CD LYS A 37 -6.337 8.523 11.965 1.00 21.52 C ATOM 585 CE LYS A 37 -5.466 8.888 10.745 1.00 74.44 C ATOM 586 NZ LYS A 37 -5.870 8.153 9.513 1.00 53.51 N ATOM 0 H LYS A 37 -5.030 5.260 13.606 1.00 30.54 H new ATOM 0 HA LYS A 37 -7.569 4.950 14.857 1.00 5.03 H new ATOM 0 HB2 LYS A 37 -8.120 6.976 13.435 1.00 20.05 H new ATOM 0 HB3 LYS A 37 -6.676 7.165 14.410 1.00 20.05 H new ATOM 0 HG2 LYS A 37 -5.249 6.711 12.424 1.00 63.41 H new ATOM 0 HG3 LYS A 37 -6.676 6.453 11.439 1.00 63.41 H new ATOM 0 HD2 LYS A 37 -7.369 8.818 11.773 1.00 21.52 H new ATOM 0 HD3 LYS A 37 -5.999 9.090 12.832 1.00 21.52 H new ATOM 0 HE2 LYS A 37 -5.534 9.961 10.563 1.00 74.44 H new ATOM 0 HE3 LYS A 37 -4.422 8.668 10.969 1.00 74.44 H new ATOM 0 HZ1 LYS A 37 -5.076 7.569 9.181 1.00 53.51 H new ATOM 0 HZ2 LYS A 37 -6.685 7.542 9.725 1.00 53.51 H new ATOM 0 HZ3 LYS A 37 -6.131 8.835 8.772 1.00 53.51 H new ATOM 600 N ALA A 38 -7.383 3.919 11.723 1.00 51.04 N ATOM 601 CA ALA A 38 -8.088 3.190 10.643 1.00 61.44 C ATOM 602 C ALA A 38 -7.225 2.049 10.073 1.00 70.31 C ATOM 603 O ALA A 38 -5.989 2.085 10.132 1.00 4.13 O ATOM 604 CB ALA A 38 -8.498 4.160 9.521 1.00 11.21 C ATOM 0 H ALA A 38 -6.394 4.078 11.531 1.00 51.04 H new ATOM 0 HA ALA A 38 -8.985 2.746 11.074 1.00 61.44 H new ATOM 0 HB1 ALA A 38 -9.015 3.609 8.735 1.00 11.21 H new ATOM 0 HB2 ALA A 38 -9.162 4.924 9.925 1.00 11.21 H new ATOM 0 HB3 ALA A 38 -7.608 4.634 9.107 1.00 11.21 H new ATOM 610 N ASP A 39 -7.908 1.016 9.550 1.00 43.11 N ATOM 611 CA ASP A 39 -7.279 -0.095 8.784 1.00 45.21 C ATOM 612 C ASP A 39 -6.550 0.432 7.521 1.00 23.34 C ATOM 613 O ASP A 39 -5.631 -0.203 7.016 1.00 61.03 O ATOM 614 CB ASP A 39 -8.351 -1.159 8.416 1.00 64.13 C ATOM 615 CG ASP A 39 -9.635 -0.538 7.830 1.00 62.15 C ATOM 616 OD1 ASP A 39 -9.635 -0.143 6.654 1.00 5.35 O ATOM 617 OD2 ASP A 39 -10.650 -0.429 8.558 1.00 72.45 O ATOM 0 H ASP A 39 -8.919 0.920 9.643 1.00 43.11 H new ATOM 0 HA ASP A 39 -6.525 -0.567 9.414 1.00 45.21 H new ATOM 0 HB2 ASP A 39 -7.929 -1.858 7.694 1.00 64.13 H new ATOM 0 HB3 ASP A 39 -8.605 -1.735 9.306 1.00 64.13 H new ATOM 622 N LYS A 40 -7.011 1.591 7.027 1.00 0.13 N ATOM 623 CA LYS A 40 -6.369 2.360 5.936 1.00 74.11 C ATOM 624 C LYS A 40 -4.874 2.645 6.223 1.00 11.52 C ATOM 625 O LYS A 40 -4.026 2.477 5.349 1.00 31.54 O ATOM 626 CB LYS A 40 -7.132 3.689 5.759 1.00 32.24 C ATOM 627 CG LYS A 40 -8.631 3.529 5.434 1.00 74.50 C ATOM 628 CD LYS A 40 -9.442 4.844 5.558 1.00 72.03 C ATOM 629 CE LYS A 40 -8.956 5.993 4.633 1.00 13.52 C ATOM 630 NZ LYS A 40 -7.752 6.700 5.161 1.00 31.31 N ATOM 0 H LYS A 40 -7.859 2.035 7.379 1.00 0.13 H new ATOM 0 HA LYS A 40 -6.411 1.765 5.024 1.00 74.11 H new ATOM 0 HB2 LYS A 40 -7.032 4.275 6.673 1.00 32.24 H new ATOM 0 HB3 LYS A 40 -6.659 4.261 4.960 1.00 32.24 H new ATOM 0 HG2 LYS A 40 -8.734 3.144 4.420 1.00 74.50 H new ATOM 0 HG3 LYS A 40 -9.061 2.784 6.103 1.00 74.50 H new ATOM 0 HD2 LYS A 40 -10.488 4.633 5.334 1.00 72.03 H new ATOM 0 HD3 LYS A 40 -9.400 5.185 6.592 1.00 72.03 H new ATOM 0 HE2 LYS A 40 -8.728 5.586 3.648 1.00 13.52 H new ATOM 0 HE3 LYS A 40 -9.764 6.713 4.502 1.00 13.52 H new ATOM 0 HZ1 LYS A 40 -7.870 7.726 5.038 1.00 31.31 H new ATOM 0 HZ2 LYS A 40 -7.638 6.484 6.172 1.00 31.31 H new ATOM 0 HZ3 LYS A 40 -6.908 6.384 4.642 1.00 31.31 H new ATOM 644 N ASP A 41 -4.578 3.044 7.474 1.00 3.21 N ATOM 645 CA ASP A 41 -3.199 3.320 7.938 1.00 71.42 C ATOM 646 C ASP A 41 -2.366 2.015 7.996 1.00 14.43 C ATOM 647 O ASP A 41 -1.157 2.016 7.726 1.00 2.01 O ATOM 648 CB ASP A 41 -3.246 3.993 9.326 1.00 0.01 C ATOM 649 CG ASP A 41 -4.103 5.263 9.324 1.00 13.34 C ATOM 650 OD1 ASP A 41 -3.613 6.328 8.887 1.00 71.32 O ATOM 651 OD2 ASP A 41 -5.280 5.196 9.730 1.00 33.52 O ATOM 0 H ASP A 41 -5.286 3.185 8.194 1.00 3.21 H new ATOM 0 HA ASP A 41 -2.717 3.994 7.229 1.00 71.42 H new ATOM 0 HB2 ASP A 41 -3.645 3.289 10.056 1.00 0.01 H new ATOM 0 HB3 ASP A 41 -2.233 4.241 9.642 1.00 0.01 H new ATOM 656 N PHE A 42 -3.052 0.903 8.352 1.00 70.21 N ATOM 657 CA PHE A 42 -2.475 -0.456 8.332 1.00 61.13 C ATOM 658 C PHE A 42 -2.095 -0.885 6.889 1.00 63.52 C ATOM 659 O PHE A 42 -1.090 -1.553 6.697 1.00 62.32 O ATOM 660 CB PHE A 42 -3.468 -1.476 8.974 1.00 50.43 C ATOM 661 CG PHE A 42 -3.050 -2.942 8.842 1.00 3.11 C ATOM 662 CD1 PHE A 42 -1.988 -3.447 9.585 1.00 33.14 C ATOM 663 CD2 PHE A 42 -3.708 -3.808 7.960 1.00 55.32 C ATOM 664 CE1 PHE A 42 -1.597 -4.762 9.456 1.00 5.40 C ATOM 665 CE2 PHE A 42 -3.313 -5.124 7.836 1.00 1.24 C ATOM 666 CZ PHE A 42 -2.257 -5.601 8.587 1.00 54.14 C ATOM 0 H PHE A 42 -4.024 0.927 8.662 1.00 70.21 H new ATOM 0 HA PHE A 42 -1.559 -0.445 8.923 1.00 61.13 H new ATOM 0 HB2 PHE A 42 -3.580 -1.238 10.032 1.00 50.43 H new ATOM 0 HB3 PHE A 42 -4.448 -1.348 8.513 1.00 50.43 H new ATOM 0 HD1 PHE A 42 -1.463 -2.800 10.272 1.00 33.14 H new ATOM 0 HD2 PHE A 42 -4.535 -3.441 7.370 1.00 55.32 H new ATOM 0 HE1 PHE A 42 -0.769 -5.136 10.039 1.00 5.40 H new ATOM 0 HE2 PHE A 42 -3.830 -5.781 7.152 1.00 1.24 H new ATOM 0 HZ PHE A 42 -1.949 -6.632 8.493 1.00 54.14 H new ATOM 676 N PHE A 43 -2.905 -0.488 5.887 1.00 53.24 N ATOM 677 CA PHE A 43 -2.657 -0.851 4.464 1.00 35.03 C ATOM 678 C PHE A 43 -1.434 -0.095 3.883 1.00 33.21 C ATOM 679 O PHE A 43 -0.700 -0.639 3.057 1.00 63.33 O ATOM 680 CB PHE A 43 -3.917 -0.579 3.598 1.00 2.42 C ATOM 681 CG PHE A 43 -5.184 -1.309 4.061 1.00 51.31 C ATOM 682 CD1 PHE A 43 -5.125 -2.605 4.586 1.00 5.24 C ATOM 683 CD2 PHE A 43 -6.436 -0.696 3.978 1.00 12.30 C ATOM 684 CE1 PHE A 43 -6.268 -3.252 5.013 1.00 53.54 C ATOM 685 CE2 PHE A 43 -7.575 -1.346 4.406 1.00 3.44 C ATOM 686 CZ PHE A 43 -7.491 -2.625 4.921 1.00 42.03 C ATOM 0 H PHE A 43 -3.738 0.084 6.030 1.00 53.24 H new ATOM 0 HA PHE A 43 -2.434 -1.918 4.437 1.00 35.03 H new ATOM 0 HB2 PHE A 43 -4.113 0.493 3.593 1.00 2.42 H new ATOM 0 HB3 PHE A 43 -3.703 -0.868 2.569 1.00 2.42 H new ATOM 0 HD1 PHE A 43 -4.171 -3.107 4.658 1.00 5.24 H new ATOM 0 HD2 PHE A 43 -6.514 0.302 3.573 1.00 12.30 H new ATOM 0 HE1 PHE A 43 -6.203 -4.250 5.419 1.00 53.54 H new ATOM 0 HE2 PHE A 43 -8.534 -0.854 4.338 1.00 3.44 H new ATOM 0 HZ PHE A 43 -8.385 -3.134 5.252 1.00 42.03 H new ATOM 696 N LEU A 44 -1.236 1.160 4.331 1.00 20.11 N ATOM 697 CA LEU A 44 -0.061 1.987 3.947 1.00 22.25 C ATOM 698 C LEU A 44 1.240 1.451 4.610 1.00 10.55 C ATOM 699 O LEU A 44 2.290 1.370 3.955 1.00 52.11 O ATOM 700 CB LEU A 44 -0.308 3.492 4.306 1.00 0.24 C ATOM 701 CG LEU A 44 -1.100 4.343 3.242 1.00 1.41 C ATOM 702 CD1 LEU A 44 -2.484 3.744 2.907 1.00 44.34 C ATOM 703 CD2 LEU A 44 -1.228 5.819 3.687 1.00 63.23 C ATOM 0 H LEU A 44 -1.879 1.633 4.966 1.00 20.11 H new ATOM 0 HA LEU A 44 0.071 1.916 2.867 1.00 22.25 H new ATOM 0 HB2 LEU A 44 -0.851 3.534 5.250 1.00 0.24 H new ATOM 0 HB3 LEU A 44 0.659 3.967 4.473 1.00 0.24 H new ATOM 0 HG LEU A 44 -0.514 4.310 2.324 1.00 1.41 H new ATOM 0 HD11 LEU A 44 -2.983 4.372 2.169 1.00 44.34 H new ATOM 0 HD12 LEU A 44 -2.358 2.740 2.503 1.00 44.34 H new ATOM 0 HD13 LEU A 44 -3.089 3.697 3.813 1.00 44.34 H new ATOM 0 HD21 LEU A 44 -1.779 6.380 2.932 1.00 63.23 H new ATOM 0 HD22 LEU A 44 -1.761 5.868 4.637 1.00 63.23 H new ATOM 0 HD23 LEU A 44 -0.234 6.251 3.806 1.00 63.23 H new ATOM 715 N GLY A 45 1.145 1.078 5.905 1.00 60.14 N ATOM 716 CA GLY A 45 2.282 0.500 6.648 1.00 62.33 C ATOM 717 C GLY A 45 2.693 -0.888 6.131 1.00 15.52 C ATOM 718 O GLY A 45 3.850 -1.112 5.777 1.00 50.10 O ATOM 0 H GLY A 45 0.291 1.168 6.456 1.00 60.14 H new ATOM 0 HA2 GLY A 45 3.135 1.175 6.579 1.00 62.33 H new ATOM 0 HA3 GLY A 45 2.019 0.426 7.703 1.00 62.33 H new ATOM 722 N LEU A 46 1.712 -1.808 6.069 1.00 53.54 N ATOM 723 CA LEU A 46 1.885 -3.184 5.522 1.00 14.34 C ATOM 724 C LEU A 46 2.280 -3.158 4.023 1.00 41.33 C ATOM 725 O LEU A 46 2.980 -4.050 3.539 1.00 21.14 O ATOM 726 CB LEU A 46 0.577 -4.003 5.707 1.00 45.43 C ATOM 727 CG LEU A 46 0.592 -5.468 5.159 1.00 61.23 C ATOM 728 CD1 LEU A 46 1.644 -6.326 5.890 1.00 33.24 C ATOM 729 CD2 LEU A 46 -0.815 -6.110 5.213 1.00 60.03 C ATOM 0 H LEU A 46 0.764 -1.624 6.398 1.00 53.54 H new ATOM 0 HA LEU A 46 2.694 -3.659 6.076 1.00 14.34 H new ATOM 0 HB2 LEU A 46 0.343 -4.038 6.771 1.00 45.43 H new ATOM 0 HB3 LEU A 46 -0.236 -3.464 5.220 1.00 45.43 H new ATOM 0 HG LEU A 46 0.881 -5.426 4.109 1.00 61.23 H new ATOM 0 HD11 LEU A 46 1.631 -7.339 5.487 1.00 33.24 H new ATOM 0 HD12 LEU A 46 2.633 -5.891 5.745 1.00 33.24 H new ATOM 0 HD13 LEU A 46 1.413 -6.356 6.955 1.00 33.24 H new ATOM 0 HD21 LEU A 46 -0.766 -7.127 4.824 1.00 60.03 H new ATOM 0 HD22 LEU A 46 -1.165 -6.132 6.245 1.00 60.03 H new ATOM 0 HD23 LEU A 46 -1.506 -5.523 4.608 1.00 60.03 H new ATOM 741 N GLY A 47 1.816 -2.122 3.311 1.00 13.31 N ATOM 742 CA GLY A 47 2.195 -1.884 1.906 1.00 34.23 C ATOM 743 C GLY A 47 3.700 -1.653 1.730 1.00 71.45 C ATOM 744 O GLY A 47 4.280 -1.983 0.689 1.00 13.54 O ATOM 0 H GLY A 47 1.171 -1.427 3.687 1.00 13.31 H new ATOM 0 HA2 GLY A 47 1.890 -2.738 1.302 1.00 34.23 H new ATOM 0 HA3 GLY A 47 1.652 -1.017 1.529 1.00 34.23 H new ATOM 748 N TRP A 48 4.327 -1.069 2.769 1.00 3.22 N ATOM 749 CA TRP A 48 5.787 -0.886 2.829 1.00 60.33 C ATOM 750 C TRP A 48 6.498 -2.231 3.188 1.00 61.04 C ATOM 751 O TRP A 48 7.589 -2.531 2.688 1.00 55.21 O ATOM 752 CB TRP A 48 6.153 0.238 3.840 1.00 2.03 C ATOM 753 CG TRP A 48 7.477 0.890 3.536 1.00 70.11 C ATOM 754 CD1 TRP A 48 8.717 0.326 3.637 1.00 31.25 C ATOM 755 CD2 TRP A 48 7.684 2.217 3.042 1.00 33.12 C ATOM 756 NE1 TRP A 48 9.663 1.189 3.175 1.00 2.13 N ATOM 757 CE2 TRP A 48 9.061 2.367 2.828 1.00 31.14 C ATOM 758 CE3 TRP A 48 6.835 3.287 2.748 1.00 5.41 C ATOM 759 CZ2 TRP A 48 9.611 3.538 2.326 1.00 1.11 C ATOM 760 CZ3 TRP A 48 7.382 4.455 2.258 1.00 3.24 C ATOM 761 CH2 TRP A 48 8.760 4.573 2.048 1.00 3.32 C ATOM 0 H TRP A 48 3.835 -0.712 3.588 1.00 3.22 H new ATOM 0 HA TRP A 48 6.140 -0.579 1.845 1.00 60.33 H new ATOM 0 HB2 TRP A 48 5.370 0.996 3.832 1.00 2.03 H new ATOM 0 HB3 TRP A 48 6.182 -0.180 4.846 1.00 2.03 H new ATOM 0 HD1 TRP A 48 8.918 -0.661 4.027 1.00 31.25 H new ATOM 0 HE1 TRP A 48 10.660 0.989 3.100 1.00 2.13 H new ATOM 0 HE3 TRP A 48 5.769 3.201 2.902 1.00 5.41 H new ATOM 0 HZ2 TRP A 48 10.674 3.629 2.160 1.00 1.11 H new ATOM 0 HZ3 TRP A 48 6.736 5.291 2.033 1.00 3.24 H new ATOM 0 HH2 TRP A 48 9.160 5.498 1.659 1.00 3.32 H new ATOM 772 N LEU A 49 5.863 -3.036 4.055 1.00 63.24 N ATOM 773 CA LEU A 49 6.338 -4.412 4.387 1.00 10.15 C ATOM 774 C LEU A 49 6.304 -5.337 3.144 1.00 12.22 C ATOM 775 O LEU A 49 7.109 -6.256 3.015 1.00 32.42 O ATOM 776 CB LEU A 49 5.482 -5.030 5.532 1.00 73.34 C ATOM 777 CG LEU A 49 5.823 -4.607 6.995 1.00 23.43 C ATOM 778 CD1 LEU A 49 5.904 -3.097 7.146 1.00 62.01 C ATOM 779 CD2 LEU A 49 4.789 -5.181 7.977 1.00 15.22 C ATOM 0 H LEU A 49 5.012 -2.765 4.548 1.00 63.24 H new ATOM 0 HA LEU A 49 7.372 -4.328 4.723 1.00 10.15 H new ATOM 0 HB2 LEU A 49 4.438 -4.780 5.344 1.00 73.34 H new ATOM 0 HB3 LEU A 49 5.566 -6.115 5.467 1.00 73.34 H new ATOM 0 HG LEU A 49 6.806 -5.017 7.229 1.00 23.43 H new ATOM 0 HD11 LEU A 49 6.143 -2.847 8.180 1.00 62.01 H new ATOM 0 HD12 LEU A 49 6.681 -2.707 6.489 1.00 62.01 H new ATOM 0 HD13 LEU A 49 4.945 -2.653 6.878 1.00 62.01 H new ATOM 0 HD21 LEU A 49 5.043 -4.876 8.992 1.00 15.22 H new ATOM 0 HD22 LEU A 49 3.798 -4.806 7.722 1.00 15.22 H new ATOM 0 HD23 LEU A 49 4.792 -6.269 7.914 1.00 15.22 H new ATOM 791 N LEU A 50 5.343 -5.084 2.255 1.00 71.00 N ATOM 792 CA LEU A 50 5.189 -5.829 0.995 1.00 1.24 C ATOM 793 C LEU A 50 6.261 -5.352 -0.033 1.00 62.30 C ATOM 794 O LEU A 50 6.896 -6.173 -0.714 1.00 64.04 O ATOM 795 CB LEU A 50 3.724 -5.630 0.462 1.00 32.24 C ATOM 796 CG LEU A 50 3.088 -6.811 -0.354 1.00 1.20 C ATOM 797 CD1 LEU A 50 1.603 -6.538 -0.687 1.00 64.30 C ATOM 798 CD2 LEU A 50 3.885 -7.122 -1.634 1.00 75.14 C ATOM 0 H LEU A 50 4.643 -4.353 2.385 1.00 71.00 H new ATOM 0 HA LEU A 50 5.348 -6.895 1.156 1.00 1.24 H new ATOM 0 HB2 LEU A 50 3.079 -5.425 1.316 1.00 32.24 H new ATOM 0 HB3 LEU A 50 3.712 -4.740 -0.167 1.00 32.24 H new ATOM 0 HG LEU A 50 3.134 -7.693 0.285 1.00 1.20 H new ATOM 0 HD11 LEU A 50 1.197 -7.377 -1.252 1.00 64.30 H new ATOM 0 HD12 LEU A 50 1.039 -6.416 0.238 1.00 64.30 H new ATOM 0 HD13 LEU A 50 1.525 -5.628 -1.282 1.00 64.30 H new ATOM 0 HD21 LEU A 50 3.410 -7.945 -2.168 1.00 75.14 H new ATOM 0 HD22 LEU A 50 3.906 -6.239 -2.273 1.00 75.14 H new ATOM 0 HD23 LEU A 50 4.904 -7.402 -1.369 1.00 75.14 H new ATOM 810 N ARG A 51 6.466 -4.015 -0.105 1.00 43.10 N ATOM 811 CA ARG A 51 7.336 -3.376 -1.130 1.00 74.31 C ATOM 812 C ARG A 51 8.819 -3.842 -1.074 1.00 3.11 C ATOM 813 O ARG A 51 9.485 -3.896 -2.109 1.00 14.14 O ATOM 814 CB ARG A 51 7.259 -1.817 -1.038 1.00 31.34 C ATOM 815 CG ARG A 51 8.225 -1.129 -0.029 1.00 60.54 C ATOM 816 CD ARG A 51 8.219 0.399 -0.136 1.00 33.53 C ATOM 817 NE ARG A 51 6.870 0.959 0.000 1.00 42.01 N ATOM 818 CZ ARG A 51 6.492 2.133 -0.445 1.00 43.41 C ATOM 819 NH1 ARG A 51 7.361 2.992 -0.895 1.00 42.34 N ATOM 820 NH2 ARG A 51 5.247 2.484 -0.347 1.00 35.21 N ATOM 0 H ARG A 51 6.038 -3.350 0.539 1.00 43.10 H new ATOM 0 HA ARG A 51 6.943 -3.705 -2.092 1.00 74.31 H new ATOM 0 HB2 ARG A 51 7.454 -1.407 -2.029 1.00 31.34 H new ATOM 0 HB3 ARG A 51 6.238 -1.541 -0.774 1.00 31.34 H new ATOM 0 HG2 ARG A 51 7.947 -1.417 0.985 1.00 60.54 H new ATOM 0 HG3 ARG A 51 9.238 -1.495 -0.198 1.00 60.54 H new ATOM 0 HD2 ARG A 51 8.864 0.818 0.636 1.00 33.53 H new ATOM 0 HD3 ARG A 51 8.638 0.696 -1.097 1.00 33.53 H new ATOM 0 HE ARG A 51 6.171 0.390 0.478 1.00 42.01 H new ATOM 0 HH11 ARG A 51 8.353 2.756 -0.905 1.00 42.34 H new ATOM 0 HH12 ARG A 51 7.049 3.901 -1.237 1.00 42.34 H new ATOM 0 HH21 ARG A 51 4.570 1.848 0.074 1.00 35.21 H new ATOM 0 HH22 ARG A 51 4.946 3.396 -0.691 1.00 35.21 H new ATOM 834 N GLU A 52 9.329 -4.148 0.137 1.00 21.01 N ATOM 835 CA GLU A 52 10.727 -4.633 0.334 1.00 23.33 C ATOM 836 C GLU A 52 10.785 -6.167 0.565 1.00 73.33 C ATOM 837 O GLU A 52 11.877 -6.716 0.768 1.00 1.35 O ATOM 838 CB GLU A 52 11.388 -3.893 1.532 1.00 62.53 C ATOM 839 CG GLU A 52 11.479 -2.362 1.391 1.00 23.40 C ATOM 840 CD GLU A 52 12.187 -1.697 2.587 1.00 40.44 C ATOM 841 OE1 GLU A 52 11.541 -1.489 3.638 1.00 30.34 O ATOM 842 OE2 GLU A 52 13.401 -1.406 2.489 1.00 63.42 O ATOM 0 H GLU A 52 8.796 -4.070 1.003 1.00 21.01 H new ATOM 0 HA GLU A 52 11.278 -4.415 -0.581 1.00 23.33 H new ATOM 0 HB2 GLU A 52 10.825 -4.125 2.436 1.00 62.53 H new ATOM 0 HB3 GLU A 52 12.394 -4.289 1.672 1.00 62.53 H new ATOM 0 HG2 GLU A 52 12.015 -2.117 0.474 1.00 23.40 H new ATOM 0 HG3 GLU A 52 10.475 -1.950 1.293 1.00 23.40 H new ATOM 849 N ASP A 53 9.605 -6.837 0.539 1.00 23.04 N ATOM 850 CA ASP A 53 9.464 -8.300 0.793 1.00 61.30 C ATOM 851 C ASP A 53 9.917 -8.649 2.246 1.00 60.11 C ATOM 852 O ASP A 53 10.635 -9.623 2.501 1.00 72.44 O ATOM 853 CB ASP A 53 10.215 -9.121 -0.302 1.00 60.45 C ATOM 854 CG ASP A 53 9.855 -10.613 -0.303 1.00 43.55 C ATOM 855 OD1 ASP A 53 8.689 -10.945 -0.611 1.00 61.42 O ATOM 856 OD2 ASP A 53 10.727 -11.455 -0.007 1.00 31.10 O ATOM 0 H ASP A 53 8.717 -6.377 0.340 1.00 23.04 H new ATOM 0 HA ASP A 53 8.413 -8.581 0.722 1.00 61.30 H new ATOM 0 HB2 ASP A 53 9.987 -8.700 -1.281 1.00 60.45 H new ATOM 0 HB3 ASP A 53 11.289 -9.015 -0.152 1.00 60.45 H new ATOM 861 N LYS A 54 9.466 -7.807 3.189 1.00 64.34 N ATOM 862 CA LYS A 54 9.749 -7.951 4.638 1.00 12.30 C ATOM 863 C LYS A 54 8.877 -9.063 5.256 1.00 45.44 C ATOM 864 O LYS A 54 9.303 -9.756 6.193 1.00 23.31 O ATOM 865 CB LYS A 54 9.448 -6.599 5.362 1.00 15.31 C ATOM 866 CG LYS A 54 10.126 -5.353 4.722 1.00 4.51 C ATOM 867 CD LYS A 54 11.508 -4.985 5.323 1.00 60.02 C ATOM 868 CE LYS A 54 11.395 -4.189 6.634 1.00 0.12 C ATOM 869 NZ LYS A 54 12.717 -3.742 7.133 1.00 43.32 N ATOM 0 H LYS A 54 8.887 -6.996 2.971 1.00 64.34 H new ATOM 0 HA LYS A 54 10.798 -8.218 4.763 1.00 12.30 H new ATOM 0 HB2 LYS A 54 8.369 -6.442 5.375 1.00 15.31 H new ATOM 0 HB3 LYS A 54 9.771 -6.679 6.400 1.00 15.31 H new ATOM 0 HG2 LYS A 54 10.246 -5.531 3.653 1.00 4.51 H new ATOM 0 HG3 LYS A 54 9.459 -4.498 4.830 1.00 4.51 H new ATOM 0 HD2 LYS A 54 12.075 -5.898 5.505 1.00 60.02 H new ATOM 0 HD3 LYS A 54 12.071 -4.400 4.596 1.00 60.02 H new ATOM 0 HE2 LYS A 54 10.756 -3.321 6.476 1.00 0.12 H new ATOM 0 HE3 LYS A 54 10.912 -4.806 7.392 1.00 0.12 H new ATOM 0 HZ1 LYS A 54 12.592 -3.210 8.018 1.00 43.32 H new ATOM 0 HZ2 LYS A 54 13.320 -4.571 7.309 1.00 43.32 H new ATOM 0 HZ3 LYS A 54 13.168 -3.131 6.422 1.00 43.32 H new ATOM 883 N VAL A 55 7.649 -9.223 4.715 1.00 30.32 N ATOM 884 CA VAL A 55 6.630 -10.150 5.263 1.00 63.25 C ATOM 885 C VAL A 55 5.984 -11.028 4.165 1.00 53.35 C ATOM 886 O VAL A 55 6.220 -10.840 2.968 1.00 73.24 O ATOM 887 CB VAL A 55 5.482 -9.379 6.029 1.00 71.30 C ATOM 888 CG1 VAL A 55 6.046 -8.544 7.198 1.00 62.11 C ATOM 889 CG2 VAL A 55 4.631 -8.513 5.065 1.00 52.44 C ATOM 0 H VAL A 55 7.335 -8.715 3.888 1.00 30.32 H new ATOM 0 HA VAL A 55 7.167 -10.791 5.962 1.00 63.25 H new ATOM 0 HB VAL A 55 4.817 -10.129 6.457 1.00 71.30 H new ATOM 0 HG11 VAL A 55 5.230 -8.027 7.703 1.00 62.11 H new ATOM 0 HG12 VAL A 55 6.551 -9.202 7.905 1.00 62.11 H new ATOM 0 HG13 VAL A 55 6.756 -7.812 6.813 1.00 62.11 H new ATOM 0 HG21 VAL A 55 3.853 -7.999 5.629 1.00 52.44 H new ATOM 0 HG22 VAL A 55 5.270 -7.778 4.576 1.00 52.44 H new ATOM 0 HG23 VAL A 55 4.171 -9.152 4.312 1.00 52.44 H new ATOM 899 N VAL A 56 5.155 -11.981 4.617 1.00 11.05 N ATOM 900 CA VAL A 56 4.282 -12.804 3.770 1.00 51.43 C ATOM 901 C VAL A 56 2.812 -12.627 4.216 1.00 1.02 C ATOM 902 O VAL A 56 2.511 -12.564 5.414 1.00 14.25 O ATOM 903 CB VAL A 56 4.717 -14.326 3.791 1.00 22.22 C ATOM 904 CG1 VAL A 56 4.808 -14.881 5.236 1.00 24.02 C ATOM 905 CG2 VAL A 56 3.790 -15.207 2.903 1.00 23.25 C ATOM 0 H VAL A 56 5.072 -12.206 5.608 1.00 11.05 H new ATOM 0 HA VAL A 56 4.378 -12.467 2.738 1.00 51.43 H new ATOM 0 HB VAL A 56 5.718 -14.372 3.361 1.00 22.22 H new ATOM 0 HG11 VAL A 56 5.109 -15.928 5.205 1.00 24.02 H new ATOM 0 HG12 VAL A 56 5.544 -14.308 5.800 1.00 24.02 H new ATOM 0 HG13 VAL A 56 3.835 -14.798 5.720 1.00 24.02 H new ATOM 0 HG21 VAL A 56 4.123 -16.244 2.946 1.00 23.25 H new ATOM 0 HG22 VAL A 56 2.765 -15.140 3.268 1.00 23.25 H new ATOM 0 HG23 VAL A 56 3.831 -14.855 1.872 1.00 23.25 H new ATOM 915 N THR A 57 1.910 -12.525 3.228 1.00 41.14 N ATOM 916 CA THR A 57 0.477 -12.251 3.451 1.00 34.12 C ATOM 917 C THR A 57 -0.380 -13.537 3.336 1.00 30.14 C ATOM 918 O THR A 57 -0.211 -14.337 2.415 1.00 14.42 O ATOM 919 CB THR A 57 -0.028 -11.198 2.413 1.00 11.21 C ATOM 920 OG1 THR A 57 0.257 -11.665 1.083 1.00 30.22 O ATOM 921 CG2 THR A 57 0.625 -9.814 2.621 1.00 43.31 C ATOM 0 H THR A 57 2.154 -12.631 2.243 1.00 41.14 H new ATOM 0 HA THR A 57 0.369 -11.862 4.464 1.00 34.12 H new ATOM 0 HB THR A 57 -1.102 -11.081 2.556 1.00 11.21 H new ATOM 0 HG1 THR A 57 0.841 -11.023 0.629 1.00 30.22 H new ATOM 0 HG21 THR A 57 0.243 -9.116 1.876 1.00 43.31 H new ATOM 0 HG22 THR A 57 0.387 -9.446 3.619 1.00 43.31 H new ATOM 0 HG23 THR A 57 1.706 -9.902 2.515 1.00 43.31 H new ATOM 929 N SER A 58 -1.319 -13.691 4.279 1.00 20.31 N ATOM 930 CA SER A 58 -2.223 -14.864 4.391 1.00 1.50 C ATOM 931 C SER A 58 -3.595 -14.413 4.937 1.00 70.35 C ATOM 932 O SER A 58 -3.761 -13.252 5.318 1.00 35.45 O ATOM 933 CB SER A 58 -1.598 -15.926 5.336 1.00 44.44 C ATOM 934 OG SER A 58 -2.423 -17.085 5.461 1.00 24.13 O ATOM 0 H SER A 58 -1.482 -12.993 5.005 1.00 20.31 H new ATOM 0 HA SER A 58 -2.359 -15.307 3.404 1.00 1.50 H new ATOM 0 HB2 SER A 58 -0.619 -16.218 4.956 1.00 44.44 H new ATOM 0 HB3 SER A 58 -1.440 -15.486 6.321 1.00 44.44 H new ATOM 0 HG SER A 58 -1.994 -17.729 6.062 1.00 24.13 H new ATOM 940 N GLU A 59 -4.588 -15.319 4.952 1.00 20.32 N ATOM 941 CA GLU A 59 -5.905 -15.042 5.571 1.00 45.53 C ATOM 942 C GLU A 59 -6.270 -16.130 6.614 1.00 25.44 C ATOM 943 O GLU A 59 -6.278 -17.331 6.323 1.00 2.24 O ATOM 944 CB GLU A 59 -7.021 -14.859 4.482 1.00 62.30 C ATOM 945 CG GLU A 59 -7.451 -16.120 3.681 1.00 30.41 C ATOM 946 CD GLU A 59 -6.301 -16.823 2.923 1.00 63.23 C ATOM 947 OE1 GLU A 59 -5.870 -16.320 1.864 1.00 45.22 O ATOM 948 OE2 GLU A 59 -5.823 -17.882 3.395 1.00 45.14 O ATOM 0 H GLU A 59 -4.508 -16.250 4.544 1.00 20.32 H new ATOM 0 HA GLU A 59 -5.835 -14.096 6.109 1.00 45.53 H new ATOM 0 HB2 GLU A 59 -7.906 -14.453 4.971 1.00 62.30 H new ATOM 0 HB3 GLU A 59 -6.677 -14.108 3.770 1.00 62.30 H new ATOM 0 HG2 GLU A 59 -7.905 -16.834 4.368 1.00 30.41 H new ATOM 0 HG3 GLU A 59 -8.220 -15.834 2.964 1.00 30.41 H new ATOM 955 N VAL A 60 -6.493 -15.693 7.866 1.00 64.15 N ATOM 956 CA VAL A 60 -7.014 -16.553 8.950 1.00 44.33 C ATOM 957 C VAL A 60 -8.494 -16.215 9.219 1.00 43.13 C ATOM 958 O VAL A 60 -8.810 -15.118 9.695 1.00 44.41 O ATOM 959 CB VAL A 60 -6.149 -16.420 10.271 1.00 33.30 C ATOM 960 CG1 VAL A 60 -6.845 -17.053 11.514 1.00 35.31 C ATOM 961 CG2 VAL A 60 -4.755 -17.058 10.067 1.00 23.42 C ATOM 0 H VAL A 60 -6.317 -14.732 8.158 1.00 64.15 H new ATOM 0 HA VAL A 60 -6.942 -17.592 8.627 1.00 44.33 H new ATOM 0 HB VAL A 60 -6.041 -15.354 10.470 1.00 33.30 H new ATOM 0 HG11 VAL A 60 -6.207 -16.932 12.389 1.00 35.31 H new ATOM 0 HG12 VAL A 60 -7.799 -16.556 11.689 1.00 35.31 H new ATOM 0 HG13 VAL A 60 -7.017 -18.114 11.334 1.00 35.31 H new ATOM 0 HG21 VAL A 60 -4.172 -16.959 10.983 1.00 23.42 H new ATOM 0 HG22 VAL A 60 -4.870 -18.114 9.823 1.00 23.42 H new ATOM 0 HG23 VAL A 60 -4.239 -16.551 9.252 1.00 23.42 H new ATOM 971 N GLU A 61 -9.384 -17.173 8.864 1.00 64.21 N ATOM 972 CA GLU A 61 -10.839 -17.128 9.166 1.00 2.44 C ATOM 973 C GLU A 61 -11.541 -15.879 8.568 1.00 44.10 C ATOM 974 O GLU A 61 -12.408 -15.258 9.201 1.00 12.44 O ATOM 975 CB GLU A 61 -11.051 -17.269 10.707 1.00 34.31 C ATOM 976 CG GLU A 61 -10.340 -18.498 11.327 1.00 23.32 C ATOM 977 CD GLU A 61 -10.787 -19.841 10.710 1.00 73.51 C ATOM 978 OE1 GLU A 61 -11.862 -20.352 11.080 1.00 40.45 O ATOM 979 OE2 GLU A 61 -10.067 -20.385 9.839 1.00 43.30 O ATOM 0 H GLU A 61 -9.109 -18.012 8.352 1.00 64.21 H new ATOM 0 HA GLU A 61 -11.322 -17.973 8.674 1.00 2.44 H new ATOM 0 HB2 GLU A 61 -10.689 -16.366 11.198 1.00 34.31 H new ATOM 0 HB3 GLU A 61 -12.119 -17.337 10.912 1.00 34.31 H new ATOM 0 HG2 GLU A 61 -9.263 -18.388 11.199 1.00 23.32 H new ATOM 0 HG3 GLU A 61 -10.533 -18.517 12.400 1.00 23.32 H new ATOM 986 N GLY A 62 -11.166 -15.547 7.315 1.00 52.13 N ATOM 987 CA GLY A 62 -11.716 -14.385 6.594 1.00 31.22 C ATOM 988 C GLY A 62 -11.080 -13.039 6.970 1.00 73.43 C ATOM 989 O GLY A 62 -11.547 -11.986 6.525 1.00 54.24 O ATOM 0 H GLY A 62 -10.477 -16.075 6.779 1.00 52.13 H new ATOM 0 HA2 GLY A 62 -11.589 -14.545 5.523 1.00 31.22 H new ATOM 0 HA3 GLY A 62 -12.788 -14.331 6.783 1.00 31.22 H new ATOM 993 N GLU A 63 -10.008 -13.069 7.785 1.00 35.12 N ATOM 994 CA GLU A 63 -9.302 -11.849 8.255 1.00 1.02 C ATOM 995 C GLU A 63 -7.829 -11.858 7.794 1.00 54.22 C ATOM 996 O GLU A 63 -7.236 -12.927 7.636 1.00 73.10 O ATOM 997 CB GLU A 63 -9.396 -11.741 9.805 1.00 34.10 C ATOM 998 CG GLU A 63 -10.838 -11.864 10.352 1.00 24.01 C ATOM 999 CD GLU A 63 -10.968 -11.521 11.844 1.00 42.43 C ATOM 1000 OE1 GLU A 63 -10.767 -12.416 12.698 1.00 75.43 O ATOM 1001 OE2 GLU A 63 -11.278 -10.348 12.163 1.00 21.14 O ATOM 0 H GLU A 63 -9.603 -13.936 8.139 1.00 35.12 H new ATOM 0 HA GLU A 63 -9.785 -10.976 7.816 1.00 1.02 H new ATOM 0 HB2 GLU A 63 -8.780 -12.521 10.252 1.00 34.10 H new ATOM 0 HB3 GLU A 63 -8.978 -10.785 10.119 1.00 34.10 H new ATOM 0 HG2 GLU A 63 -11.491 -11.205 9.779 1.00 24.01 H new ATOM 0 HG3 GLU A 63 -11.192 -12.882 10.191 1.00 24.01 H new ATOM 1008 N ILE A 64 -7.242 -10.663 7.600 1.00 21.15 N ATOM 1009 CA ILE A 64 -5.840 -10.521 7.134 1.00 63.41 C ATOM 1010 C ILE A 64 -4.858 -10.970 8.243 1.00 0.04 C ATOM 1011 O ILE A 64 -4.982 -10.547 9.384 1.00 33.33 O ATOM 1012 CB ILE A 64 -5.530 -9.035 6.703 1.00 12.14 C ATOM 1013 CG1 ILE A 64 -6.487 -8.587 5.550 1.00 40.34 C ATOM 1014 CG2 ILE A 64 -4.041 -8.850 6.299 1.00 4.33 C ATOM 1015 CD1 ILE A 64 -6.335 -7.132 5.118 1.00 75.34 C ATOM 0 H ILE A 64 -7.716 -9.774 7.758 1.00 21.15 H new ATOM 0 HA ILE A 64 -5.709 -11.161 6.262 1.00 63.41 H new ATOM 0 HB ILE A 64 -5.709 -8.395 7.567 1.00 12.14 H new ATOM 0 HG12 ILE A 64 -6.315 -9.227 4.685 1.00 40.34 H new ATOM 0 HG13 ILE A 64 -7.517 -8.751 5.868 1.00 40.34 H new ATOM 0 HG21 ILE A 64 -3.869 -7.814 6.009 1.00 4.33 H new ATOM 0 HG22 ILE A 64 -3.401 -9.101 7.144 1.00 4.33 H new ATOM 0 HG23 ILE A 64 -3.808 -9.505 5.460 1.00 4.33 H new ATOM 0 HD11 ILE A 64 -7.039 -6.915 4.315 1.00 75.34 H new ATOM 0 HD12 ILE A 64 -6.539 -6.478 5.966 1.00 75.34 H new ATOM 0 HD13 ILE A 64 -5.318 -6.962 4.764 1.00 75.34 H new ATOM 1027 N PHE A 65 -3.910 -11.846 7.888 1.00 44.01 N ATOM 1028 CA PHE A 65 -2.847 -12.340 8.792 1.00 14.40 C ATOM 1029 C PHE A 65 -1.489 -12.242 8.075 1.00 33.13 C ATOM 1030 O PHE A 65 -1.308 -12.829 7.008 1.00 41.50 O ATOM 1031 CB PHE A 65 -3.132 -13.810 9.206 1.00 44.15 C ATOM 1032 CG PHE A 65 -2.101 -14.421 10.170 1.00 33.11 C ATOM 1033 CD1 PHE A 65 -2.236 -14.271 11.549 1.00 23.13 C ATOM 1034 CD2 PHE A 65 -1.001 -15.146 9.695 1.00 12.24 C ATOM 1035 CE1 PHE A 65 -1.308 -14.811 12.420 1.00 32.31 C ATOM 1036 CE2 PHE A 65 -0.073 -15.685 10.568 1.00 33.22 C ATOM 1037 CZ PHE A 65 -0.230 -15.521 11.929 1.00 70.32 C ATOM 0 H PHE A 65 -3.853 -12.242 6.950 1.00 44.01 H new ATOM 0 HA PHE A 65 -2.826 -11.729 9.694 1.00 14.40 H new ATOM 0 HB2 PHE A 65 -4.116 -13.857 9.672 1.00 44.15 H new ATOM 0 HB3 PHE A 65 -3.176 -14.424 8.306 1.00 44.15 H new ATOM 0 HD1 PHE A 65 -3.079 -13.724 11.944 1.00 23.13 H new ATOM 0 HD2 PHE A 65 -0.875 -15.286 8.632 1.00 12.24 H new ATOM 0 HE1 PHE A 65 -1.426 -14.677 13.485 1.00 32.31 H new ATOM 0 HE2 PHE A 65 0.774 -16.234 10.184 1.00 33.22 H new ATOM 0 HZ PHE A 65 0.491 -15.948 12.611 1.00 70.32 H new ATOM 1047 N VAL A 66 -0.537 -11.508 8.661 1.00 71.53 N ATOM 1048 CA VAL A 66 0.811 -11.313 8.073 1.00 2.40 C ATOM 1049 C VAL A 66 1.920 -11.638 9.092 1.00 22.53 C ATOM 1050 O VAL A 66 1.721 -11.499 10.305 1.00 4.20 O ATOM 1051 CB VAL A 66 0.982 -9.848 7.517 1.00 30.53 C ATOM 1052 CG1 VAL A 66 0.011 -9.602 6.336 1.00 1.54 C ATOM 1053 CG2 VAL A 66 0.780 -8.790 8.632 1.00 11.14 C ATOM 0 H VAL A 66 -0.669 -11.030 9.553 1.00 71.53 H new ATOM 0 HA VAL A 66 0.906 -12.008 7.239 1.00 2.40 H new ATOM 0 HB VAL A 66 2.004 -9.744 7.152 1.00 30.53 H new ATOM 0 HG11 VAL A 66 0.141 -8.586 5.963 1.00 1.54 H new ATOM 0 HG12 VAL A 66 0.223 -10.312 5.537 1.00 1.54 H new ATOM 0 HG13 VAL A 66 -1.016 -9.735 6.676 1.00 1.54 H new ATOM 0 HG21 VAL A 66 0.905 -7.792 8.213 1.00 11.14 H new ATOM 0 HG22 VAL A 66 -0.223 -8.886 9.047 1.00 11.14 H new ATOM 0 HG23 VAL A 66 1.516 -8.947 9.421 1.00 11.14 H new ATOM 1063 N LYS A 67 3.087 -12.080 8.581 1.00 1.03 N ATOM 1064 CA LYS A 67 4.260 -12.428 9.427 1.00 33.12 C ATOM 1065 C LYS A 67 5.561 -12.304 8.634 1.00 21.21 C ATOM 1066 O LYS A 67 5.531 -12.322 7.416 1.00 12.23 O ATOM 1067 CB LYS A 67 4.137 -13.869 9.993 1.00 62.44 C ATOM 1068 CG LYS A 67 4.076 -14.999 8.945 1.00 15.32 C ATOM 1069 CD LYS A 67 4.084 -16.401 9.599 1.00 72.11 C ATOM 1070 CE LYS A 67 4.056 -17.542 8.572 1.00 23.42 C ATOM 1071 NZ LYS A 67 4.207 -18.863 9.229 1.00 75.21 N ATOM 0 H LYS A 67 3.248 -12.207 7.582 1.00 1.03 H new ATOM 0 HA LYS A 67 4.279 -11.723 10.258 1.00 33.12 H new ATOM 0 HB2 LYS A 67 4.986 -14.054 10.651 1.00 62.44 H new ATOM 0 HB3 LYS A 67 3.239 -13.922 10.609 1.00 62.44 H new ATOM 0 HG2 LYS A 67 3.175 -14.886 8.343 1.00 15.32 H new ATOM 0 HG3 LYS A 67 4.925 -14.911 8.268 1.00 15.32 H new ATOM 0 HD2 LYS A 67 4.974 -16.501 10.221 1.00 72.11 H new ATOM 0 HD3 LYS A 67 3.222 -16.493 10.259 1.00 72.11 H new ATOM 0 HE2 LYS A 67 3.117 -17.514 8.019 1.00 23.42 H new ATOM 0 HE3 LYS A 67 4.857 -17.401 7.846 1.00 23.42 H new ATOM 0 HZ1 LYS A 67 4.927 -19.420 8.726 1.00 75.21 H new ATOM 0 HZ2 LYS A 67 4.501 -18.728 10.217 1.00 75.21 H new ATOM 0 HZ3 LYS A 67 3.299 -19.369 9.205 1.00 75.21 H new ATOM 1085 N LEU A 68 6.707 -12.221 9.330 1.00 11.35 N ATOM 1086 CA LEU A 68 8.024 -12.086 8.668 1.00 14.52 C ATOM 1087 C LEU A 68 8.358 -13.330 7.794 1.00 40.30 C ATOM 1088 O LEU A 68 7.966 -14.462 8.120 1.00 55.22 O ATOM 1089 CB LEU A 68 9.143 -11.837 9.717 1.00 54.34 C ATOM 1090 CG LEU A 68 8.946 -10.607 10.672 1.00 20.03 C ATOM 1091 CD1 LEU A 68 10.211 -10.342 11.513 1.00 64.43 C ATOM 1092 CD2 LEU A 68 8.519 -9.342 9.900 1.00 4.35 C ATOM 0 H LEU A 68 6.753 -12.245 10.349 1.00 11.35 H new ATOM 0 HA LEU A 68 7.971 -11.223 8.005 1.00 14.52 H new ATOM 0 HB2 LEU A 68 9.241 -12.733 10.330 1.00 54.34 H new ATOM 0 HB3 LEU A 68 10.086 -11.709 9.186 1.00 54.34 H new ATOM 0 HG LEU A 68 8.135 -10.860 11.355 1.00 20.03 H new ATOM 0 HD11 LEU A 68 10.042 -9.484 12.164 1.00 64.43 H new ATOM 0 HD12 LEU A 68 10.435 -11.219 12.120 1.00 64.43 H new ATOM 0 HD13 LEU A 68 11.052 -10.135 10.851 1.00 64.43 H new ATOM 0 HD21 LEU A 68 8.394 -8.515 10.598 1.00 4.35 H new ATOM 0 HD22 LEU A 68 9.285 -9.086 9.168 1.00 4.35 H new ATOM 0 HD23 LEU A 68 7.576 -9.530 9.387 1.00 4.35 H new ATOM 1104 N VAL A 69 9.057 -13.082 6.671 1.00 21.30 N ATOM 1105 CA VAL A 69 9.481 -14.135 5.707 1.00 73.45 C ATOM 1106 C VAL A 69 10.370 -15.220 6.395 1.00 14.33 C ATOM 1107 O VAL A 69 11.132 -14.898 7.315 1.00 4.02 O ATOM 1108 CB VAL A 69 10.237 -13.477 4.482 1.00 35.23 C ATOM 1109 CG1 VAL A 69 10.761 -14.528 3.474 1.00 21.33 C ATOM 1110 CG2 VAL A 69 9.329 -12.455 3.754 1.00 35.03 C ATOM 0 H VAL A 69 9.349 -12.144 6.398 1.00 21.30 H new ATOM 0 HA VAL A 69 8.587 -14.638 5.339 1.00 73.45 H new ATOM 0 HB VAL A 69 11.102 -12.958 4.896 1.00 35.23 H new ATOM 0 HG11 VAL A 69 11.271 -14.023 2.654 1.00 21.33 H new ATOM 0 HG12 VAL A 69 11.458 -15.198 3.977 1.00 21.33 H new ATOM 0 HG13 VAL A 69 9.923 -15.104 3.080 1.00 21.33 H new ATOM 0 HG21 VAL A 69 9.872 -12.017 2.917 1.00 35.03 H new ATOM 0 HG22 VAL A 69 8.437 -12.960 3.384 1.00 35.03 H new ATOM 0 HG23 VAL A 69 9.038 -11.667 4.449 1.00 35.03 H new ATOM 1120 N LEU A 70 10.195 -16.509 5.971 1.00 44.43 N ATOM 1121 CA LEU A 70 10.947 -17.707 6.482 1.00 42.03 C ATOM 1122 C LEU A 70 10.426 -18.230 7.855 1.00 62.43 C ATOM 1123 O LEU A 70 10.515 -19.435 8.124 1.00 0.25 O ATOM 1124 CB LEU A 70 12.495 -17.477 6.526 1.00 63.23 C ATOM 1125 CG LEU A 70 13.179 -17.143 5.161 1.00 20.51 C ATOM 1126 CD1 LEU A 70 14.651 -16.736 5.363 1.00 40.54 C ATOM 1127 CD2 LEU A 70 13.053 -18.320 4.166 1.00 63.23 C ATOM 0 H LEU A 70 9.515 -16.752 5.251 1.00 44.43 H new ATOM 0 HA LEU A 70 10.748 -18.489 5.750 1.00 42.03 H new ATOM 0 HB2 LEU A 70 12.701 -16.663 7.221 1.00 63.23 H new ATOM 0 HB3 LEU A 70 12.964 -18.372 6.935 1.00 63.23 H new ATOM 0 HG LEU A 70 12.656 -16.291 4.728 1.00 20.51 H new ATOM 0 HD11 LEU A 70 15.102 -16.509 4.397 1.00 40.54 H new ATOM 0 HD12 LEU A 70 14.700 -15.854 6.002 1.00 40.54 H new ATOM 0 HD13 LEU A 70 15.194 -17.556 5.833 1.00 40.54 H new ATOM 0 HD21 LEU A 70 13.539 -18.056 3.227 1.00 63.23 H new ATOM 0 HD22 LEU A 70 13.532 -19.204 4.586 1.00 63.23 H new ATOM 0 HD23 LEU A 70 11.999 -18.530 3.983 1.00 63.23 H new ATOM 1139 N GLU A 71 9.867 -17.336 8.702 1.00 4.14 N ATOM 1140 CA GLU A 71 9.408 -17.682 10.074 1.00 75.12 C ATOM 1141 C GLU A 71 8.237 -18.711 10.090 1.00 71.21 C ATOM 1142 O GLU A 71 7.079 -18.361 9.811 1.00 33.25 O ATOM 1143 CB GLU A 71 9.041 -16.377 10.835 1.00 1.04 C ATOM 1144 CG GLU A 71 10.247 -15.443 11.104 1.00 52.01 C ATOM 1145 CD GLU A 71 11.336 -16.102 11.983 1.00 34.03 C ATOM 1146 OE1 GLU A 71 11.200 -16.084 13.228 1.00 34.25 O ATOM 1147 OE2 GLU A 71 12.318 -16.662 11.435 1.00 3.44 O ATOM 0 H GLU A 71 9.720 -16.357 8.458 1.00 4.14 H new ATOM 0 HA GLU A 71 10.231 -18.181 10.586 1.00 75.12 H new ATOM 0 HB2 GLU A 71 8.293 -15.831 10.259 1.00 1.04 H new ATOM 0 HB3 GLU A 71 8.580 -16.641 11.787 1.00 1.04 H new ATOM 0 HG2 GLU A 71 10.687 -15.144 10.153 1.00 52.01 H new ATOM 0 HG3 GLU A 71 9.894 -14.534 11.592 1.00 52.01 H new ATOM 1154 N HIS A 72 8.593 -19.981 10.431 1.00 5.42 N ATOM 1155 CA HIS A 72 7.702 -21.174 10.399 1.00 74.34 C ATOM 1156 C HIS A 72 6.951 -21.282 9.046 1.00 24.35 C ATOM 1157 O HIS A 72 5.714 -21.227 8.982 1.00 44.42 O ATOM 1158 CB HIS A 72 6.736 -21.212 11.627 1.00 71.12 C ATOM 1159 CG HIS A 72 6.109 -22.566 11.907 1.00 71.04 C ATOM 1160 ND1 HIS A 72 4.975 -22.735 12.679 1.00 61.53 N ATOM 1161 CD2 HIS A 72 6.481 -23.818 11.538 1.00 53.31 C ATOM 1162 CE1 HIS A 72 4.680 -24.010 12.766 1.00 22.12 C ATOM 1163 NE2 HIS A 72 5.575 -24.693 12.086 1.00 3.24 N ATOM 0 H HIS A 72 9.536 -20.209 10.745 1.00 5.42 H new ATOM 0 HA HIS A 72 8.333 -22.059 10.480 1.00 74.34 H new ATOM 0 HB2 HIS A 72 7.285 -20.892 12.513 1.00 71.12 H new ATOM 0 HB3 HIS A 72 5.939 -20.485 11.467 1.00 71.12 H new ATOM 0 HD1 HIS A 72 4.446 -21.980 13.116 1.00 61.53 H new ATOM 0 HD2 HIS A 72 7.332 -24.078 10.926 1.00 53.31 H new ATOM 0 HE1 HIS A 72 3.843 -24.429 13.305 1.00 22.12 H new ATOM 1172 N HIS A 73 7.728 -21.402 7.965 1.00 52.15 N ATOM 1173 CA HIS A 73 7.205 -21.384 6.589 1.00 35.22 C ATOM 1174 C HIS A 73 6.925 -22.820 6.081 1.00 21.30 C ATOM 1175 O HIS A 73 7.855 -23.604 5.871 1.00 3.14 O ATOM 1176 CB HIS A 73 8.219 -20.660 5.665 1.00 3.11 C ATOM 1177 CG HIS A 73 7.654 -20.236 4.336 1.00 5.34 C ATOM 1178 ND1 HIS A 73 7.276 -18.938 4.072 1.00 72.33 N ATOM 1179 CD2 HIS A 73 7.403 -20.931 3.195 1.00 24.31 C ATOM 1180 CE1 HIS A 73 6.829 -18.851 2.844 1.00 53.24 C ATOM 1181 NE2 HIS A 73 6.893 -20.043 2.288 1.00 65.23 N ATOM 0 H HIS A 73 8.740 -21.515 8.016 1.00 52.15 H new ATOM 0 HA HIS A 73 6.258 -20.844 6.576 1.00 35.22 H new ATOM 0 HB2 HIS A 73 8.599 -19.779 6.182 1.00 3.11 H new ATOM 0 HB3 HIS A 73 9.069 -21.320 5.491 1.00 3.11 H new ATOM 0 HD2 HIS A 73 7.574 -21.985 3.035 1.00 24.31 H new ATOM 0 HE1 HIS A 73 6.468 -17.952 2.367 1.00 53.24 H new ATOM 0 HE2 HIS A 73 6.608 -20.268 1.335 1.00 65.23 H new ATOM 1190 N HIS A 74 5.632 -23.159 5.917 1.00 44.33 N ATOM 1191 CA HIS A 74 5.198 -24.421 5.264 1.00 14.43 C ATOM 1192 C HIS A 74 4.102 -24.137 4.201 1.00 54.24 C ATOM 1193 O HIS A 74 4.427 -23.854 3.045 1.00 12.35 O ATOM 1194 CB HIS A 74 4.728 -25.483 6.308 1.00 12.41 C ATOM 1195 CG HIS A 74 5.829 -26.050 7.170 1.00 41.13 C ATOM 1196 ND1 HIS A 74 5.864 -25.910 8.539 1.00 21.22 N ATOM 1197 CD2 HIS A 74 6.921 -26.792 6.851 1.00 21.32 C ATOM 1198 CE1 HIS A 74 6.920 -26.535 9.021 1.00 4.23 C ATOM 1199 NE2 HIS A 74 7.577 -27.078 8.022 1.00 41.22 N ATOM 0 H HIS A 74 4.858 -22.573 6.230 1.00 44.33 H new ATOM 0 HA HIS A 74 6.061 -24.847 4.752 1.00 14.43 H new ATOM 0 HB2 HIS A 74 3.976 -25.030 6.954 1.00 12.41 H new ATOM 0 HB3 HIS A 74 4.241 -26.302 5.779 1.00 12.41 H new ATOM 0 HD2 HIS A 74 7.218 -27.100 5.859 1.00 21.32 H new ATOM 0 HE1 HIS A 74 7.198 -26.591 10.063 1.00 4.23 H new ATOM 0 HE2 HIS A 74 8.435 -27.623 8.103 1.00 41.22 H new ATOM 1208 N HIS A 75 2.811 -24.177 4.606 1.00 43.15 N ATOM 1209 CA HIS A 75 1.650 -24.005 3.688 1.00 62.33 C ATOM 1210 C HIS A 75 0.330 -23.894 4.490 1.00 21.33 C ATOM 1211 O HIS A 75 0.154 -24.578 5.506 1.00 64.32 O ATOM 1212 CB HIS A 75 1.569 -25.161 2.636 1.00 2.53 C ATOM 1213 CG HIS A 75 1.716 -26.556 3.201 1.00 22.10 C ATOM 1214 ND1 HIS A 75 2.939 -27.191 3.321 1.00 4.32 N ATOM 1215 CD2 HIS A 75 0.802 -27.435 3.682 1.00 53.41 C ATOM 1216 CE1 HIS A 75 2.767 -28.387 3.843 1.00 71.42 C ATOM 1217 NE2 HIS A 75 1.485 -28.560 4.074 1.00 50.50 N ATOM 0 H HIS A 75 2.540 -24.329 5.578 1.00 43.15 H new ATOM 0 HA HIS A 75 1.799 -23.075 3.139 1.00 62.33 H new ATOM 0 HB2 HIS A 75 0.612 -25.094 2.119 1.00 2.53 H new ATOM 0 HB3 HIS A 75 2.346 -25.005 1.888 1.00 2.53 H new ATOM 0 HD2 HIS A 75 -0.265 -27.279 3.745 1.00 53.41 H new ATOM 0 HE1 HIS A 75 3.548 -29.105 4.047 1.00 71.42 H new ATOM 0 HE2 HIS A 75 1.064 -29.396 4.480 1.00 50.50 H new ATOM 1226 N HIS A 76 -0.583 -23.018 4.022 1.00 73.04 N ATOM 1227 CA HIS A 76 -1.899 -22.777 4.674 1.00 74.45 C ATOM 1228 C HIS A 76 -2.975 -23.767 4.141 1.00 13.14 C ATOM 1229 O HIS A 76 -3.975 -24.045 4.813 1.00 11.33 O ATOM 1230 CB HIS A 76 -2.320 -21.299 4.441 1.00 42.12 C ATOM 1231 CG HIS A 76 -3.485 -20.829 5.281 1.00 33.11 C ATOM 1232 ND1 HIS A 76 -3.399 -20.645 6.644 1.00 64.41 N ATOM 1233 CD2 HIS A 76 -4.754 -20.494 4.947 1.00 53.22 C ATOM 1234 CE1 HIS A 76 -4.550 -20.213 7.108 1.00 71.12 C ATOM 1235 NE2 HIS A 76 -5.391 -20.112 6.103 1.00 44.43 N ATOM 0 H HIS A 76 -0.435 -22.456 3.184 1.00 73.04 H new ATOM 0 HA HIS A 76 -1.809 -22.953 5.746 1.00 74.45 H new ATOM 0 HB2 HIS A 76 -1.463 -20.656 4.643 1.00 42.12 H new ATOM 0 HB3 HIS A 76 -2.574 -21.171 3.389 1.00 42.12 H new ATOM 0 HD2 HIS A 76 -5.185 -20.522 3.957 1.00 53.22 H new ATOM 0 HE1 HIS A 76 -4.768 -19.980 8.140 1.00 71.12 H new ATOM 0 HE2 HIS A 76 -6.360 -19.800 6.170 1.00 44.43 H new ATOM 1244 N HIS A 77 -2.758 -24.268 2.911 1.00 45.30 N ATOM 1245 CA HIS A 77 -3.587 -25.324 2.273 1.00 64.44 C ATOM 1246 C HIS A 77 -2.692 -26.461 1.737 1.00 61.23 C ATOM 1247 O HIS A 77 -1.484 -26.284 1.517 1.00 14.33 O ATOM 1248 CB HIS A 77 -4.453 -24.733 1.123 1.00 4.24 C ATOM 1249 CG HIS A 77 -5.632 -23.919 1.587 1.00 2.51 C ATOM 1250 ND1 HIS A 77 -6.905 -24.431 1.665 1.00 4.34 N ATOM 1251 CD2 HIS A 77 -5.733 -22.624 1.983 1.00 15.31 C ATOM 1252 CE1 HIS A 77 -7.733 -23.499 2.083 1.00 60.54 C ATOM 1253 NE2 HIS A 77 -7.053 -22.389 2.283 1.00 60.52 N ATOM 0 H HIS A 77 -1.992 -23.950 2.318 1.00 45.30 H new ATOM 0 HA HIS A 77 -4.257 -25.731 3.030 1.00 64.44 H new ATOM 0 HB2 HIS A 77 -3.821 -24.108 0.493 1.00 4.24 H new ATOM 0 HB3 HIS A 77 -4.814 -25.551 0.500 1.00 4.24 H new ATOM 0 HD2 HIS A 77 -4.925 -21.911 2.050 1.00 15.31 H new ATOM 0 HE1 HIS A 77 -8.795 -23.623 2.237 1.00 60.54 H new ATOM 0 HE2 HIS A 77 -7.441 -21.503 2.607 1.00 60.52 H new TER 1262 HIS A 77 ATOM 1263 N MET B 1 2.624 -21.018 -6.739 1.00 71.02 N ATOM 1264 CA MET B 1 2.445 -20.642 -8.148 1.00 34.04 C ATOM 1265 C MET B 1 2.206 -19.118 -8.284 1.00 21.21 C ATOM 1266 O MET B 1 2.614 -18.494 -9.274 1.00 21.44 O ATOM 1267 CB MET B 1 1.275 -21.452 -8.771 1.00 24.53 C ATOM 1268 CG MET B 1 1.113 -21.301 -10.294 1.00 12.14 C ATOM 1269 SD MET B 1 -0.197 -22.356 -10.962 1.00 64.22 S ATOM 1270 CE MET B 1 0.393 -24.000 -10.536 1.00 22.31 C ATOM 0 H1 MET B 1 2.997 -21.987 -6.683 1.00 71.02 H new ATOM 0 H2 MET B 1 3.293 -20.363 -6.287 1.00 71.02 H new ATOM 0 H3 MET B 1 1.708 -20.971 -6.248 1.00 71.02 H new ATOM 0 HA MET B 1 3.357 -20.882 -8.694 1.00 34.04 H new ATOM 0 HB2 MET B 1 1.421 -22.507 -8.540 1.00 24.53 H new ATOM 0 HB3 MET B 1 0.346 -21.146 -8.291 1.00 24.53 H new ATOM 0 HG2 MET B 1 0.892 -20.260 -10.531 1.00 12.14 H new ATOM 0 HG3 MET B 1 2.056 -21.546 -10.782 1.00 12.14 H new ATOM 0 HE1 MET B 1 -0.072 -24.735 -11.193 1.00 22.31 H new ATOM 0 HE2 MET B 1 1.476 -24.040 -10.655 1.00 22.31 H new ATOM 0 HE3 MET B 1 0.133 -24.223 -9.501 1.00 22.31 H new ATOM 1280 N LYS B 2 1.539 -18.537 -7.267 1.00 14.21 N ATOM 1281 CA LYS B 2 1.263 -17.082 -7.168 1.00 64.11 C ATOM 1282 C LYS B 2 0.954 -16.670 -5.709 1.00 61.55 C ATOM 1283 O LYS B 2 0.778 -17.523 -4.830 1.00 44.21 O ATOM 1284 CB LYS B 2 0.086 -16.673 -8.103 1.00 40.12 C ATOM 1285 CG LYS B 2 -1.202 -17.516 -7.940 1.00 14.02 C ATOM 1286 CD LYS B 2 -2.400 -16.980 -8.767 1.00 52.32 C ATOM 1287 CE LYS B 2 -2.077 -16.762 -10.260 1.00 20.43 C ATOM 1288 NZ LYS B 2 -1.539 -17.978 -10.920 1.00 64.43 N ATOM 0 H LYS B 2 1.170 -19.069 -6.479 1.00 14.21 H new ATOM 0 HA LYS B 2 2.161 -16.555 -7.490 1.00 64.11 H new ATOM 0 HB2 LYS B 2 -0.157 -15.626 -7.920 1.00 40.12 H new ATOM 0 HB3 LYS B 2 0.421 -16.746 -9.138 1.00 40.12 H new ATOM 0 HG2 LYS B 2 -0.995 -18.543 -8.239 1.00 14.02 H new ATOM 0 HG3 LYS B 2 -1.480 -17.541 -6.886 1.00 14.02 H new ATOM 0 HD2 LYS B 2 -3.230 -17.681 -8.683 1.00 52.32 H new ATOM 0 HD3 LYS B 2 -2.734 -16.037 -8.336 1.00 52.32 H new ATOM 0 HE2 LYS B 2 -2.981 -16.443 -10.779 1.00 20.43 H new ATOM 0 HE3 LYS B 2 -1.353 -15.953 -10.355 1.00 20.43 H new ATOM 0 HZ1 LYS B 2 -1.373 -17.781 -11.928 1.00 64.43 H new ATOM 0 HZ2 LYS B 2 -0.643 -18.251 -10.468 1.00 64.43 H new ATOM 0 HZ3 LYS B 2 -2.224 -18.755 -10.827 1.00 64.43 H new ATOM 1302 N MET B 3 0.874 -15.345 -5.474 1.00 14.11 N ATOM 1303 CA MET B 3 0.573 -14.770 -4.135 1.00 12.51 C ATOM 1304 C MET B 3 -0.083 -13.366 -4.239 1.00 71.11 C ATOM 1305 O MET B 3 -0.285 -12.843 -5.334 1.00 52.21 O ATOM 1306 CB MET B 3 1.871 -14.713 -3.275 1.00 35.34 C ATOM 1307 CG MET B 3 3.048 -13.959 -3.911 1.00 24.21 C ATOM 1308 SD MET B 3 4.548 -13.993 -2.890 1.00 23.21 S ATOM 1309 CE MET B 3 4.004 -13.254 -1.339 1.00 1.31 C ATOM 0 H MET B 3 1.014 -14.641 -6.199 1.00 14.11 H new ATOM 0 HA MET B 3 -0.150 -15.423 -3.646 1.00 12.51 H new ATOM 0 HB2 MET B 3 1.634 -14.244 -2.320 1.00 35.34 H new ATOM 0 HB3 MET B 3 2.189 -15.733 -3.059 1.00 35.34 H new ATOM 0 HG2 MET B 3 3.268 -14.396 -4.885 1.00 24.21 H new ATOM 0 HG3 MET B 3 2.757 -12.923 -4.085 1.00 24.21 H new ATOM 0 HE1 MET B 3 4.838 -12.727 -0.875 1.00 1.31 H new ATOM 0 HE2 MET B 3 3.194 -12.551 -1.535 1.00 1.31 H new ATOM 0 HE3 MET B 3 3.650 -14.036 -0.667 1.00 1.31 H new ATOM 1319 N LEU B 4 -0.409 -12.769 -3.071 1.00 53.42 N ATOM 1320 CA LEU B 4 -1.036 -11.414 -2.978 1.00 44.04 C ATOM 1321 C LEU B 4 -0.053 -10.285 -3.419 1.00 41.23 C ATOM 1322 O LEU B 4 -0.467 -9.159 -3.711 1.00 25.22 O ATOM 1323 CB LEU B 4 -1.569 -11.146 -1.533 1.00 60.04 C ATOM 1324 CG LEU B 4 -2.751 -12.051 -1.016 1.00 23.23 C ATOM 1325 CD1 LEU B 4 -2.324 -13.520 -0.771 1.00 53.11 C ATOM 1326 CD2 LEU B 4 -3.386 -11.450 0.261 1.00 1.31 C ATOM 0 H LEU B 4 -0.249 -13.205 -2.163 1.00 53.42 H new ATOM 0 HA LEU B 4 -1.879 -11.401 -3.668 1.00 44.04 H new ATOM 0 HB2 LEU B 4 -0.734 -11.255 -0.841 1.00 60.04 H new ATOM 0 HB3 LEU B 4 -1.893 -10.107 -1.481 1.00 60.04 H new ATOM 0 HG LEU B 4 -3.497 -12.069 -1.810 1.00 23.23 H new ATOM 0 HD11 LEU B 4 -3.180 -14.093 -0.416 1.00 53.11 H new ATOM 0 HD12 LEU B 4 -1.958 -13.953 -1.702 1.00 53.11 H new ATOM 0 HD13 LEU B 4 -1.533 -13.549 -0.022 1.00 53.11 H new ATOM 0 HD21 LEU B 4 -4.199 -12.092 0.599 1.00 1.31 H new ATOM 0 HD22 LEU B 4 -2.631 -11.378 1.044 1.00 1.31 H new ATOM 0 HD23 LEU B 4 -3.776 -10.456 0.040 1.00 1.31 H new ATOM 1338 N LYS B 5 1.246 -10.616 -3.459 1.00 24.21 N ATOM 1339 CA LYS B 5 2.311 -9.733 -3.996 1.00 41.02 C ATOM 1340 C LYS B 5 2.165 -9.522 -5.526 1.00 13.34 C ATOM 1341 O LYS B 5 2.522 -8.459 -6.055 1.00 53.12 O ATOM 1342 CB LYS B 5 3.681 -10.371 -3.668 1.00 1.02 C ATOM 1343 CG LYS B 5 4.930 -9.572 -4.089 1.00 34.33 C ATOM 1344 CD LYS B 5 6.231 -10.257 -3.612 1.00 1.43 C ATOM 1345 CE LYS B 5 7.491 -9.469 -3.968 1.00 53.23 C ATOM 1346 NZ LYS B 5 8.714 -10.151 -3.490 1.00 73.40 N ATOM 0 H LYS B 5 1.598 -11.511 -3.118 1.00 24.21 H new ATOM 0 HA LYS B 5 2.227 -8.751 -3.531 1.00 41.02 H new ATOM 0 HB2 LYS B 5 3.730 -10.539 -2.592 1.00 1.02 H new ATOM 0 HB3 LYS B 5 3.725 -11.350 -4.146 1.00 1.02 H new ATOM 0 HG2 LYS B 5 4.949 -9.470 -5.174 1.00 34.33 H new ATOM 0 HG3 LYS B 5 4.875 -8.565 -3.675 1.00 34.33 H new ATOM 0 HD2 LYS B 5 6.188 -10.392 -2.531 1.00 1.43 H new ATOM 0 HD3 LYS B 5 6.294 -11.251 -4.055 1.00 1.43 H new ATOM 0 HE2 LYS B 5 7.546 -9.338 -5.049 1.00 53.23 H new ATOM 0 HE3 LYS B 5 7.434 -8.473 -3.529 1.00 53.23 H new ATOM 0 HZ1 LYS B 5 9.518 -9.492 -3.532 1.00 73.40 H new ATOM 0 HZ2 LYS B 5 8.575 -10.465 -2.508 1.00 73.40 H new ATOM 0 HZ3 LYS B 5 8.910 -10.975 -4.093 1.00 73.40 H new ATOM 1360 N GLU B 6 1.623 -10.547 -6.216 1.00 63.22 N ATOM 1361 CA GLU B 6 1.460 -10.544 -7.682 1.00 54.10 C ATOM 1362 C GLU B 6 0.520 -9.413 -8.147 1.00 31.14 C ATOM 1363 O GLU B 6 0.882 -8.628 -9.024 1.00 44.33 O ATOM 1364 CB GLU B 6 0.913 -11.908 -8.161 1.00 64.21 C ATOM 1365 CG GLU B 6 0.736 -12.028 -9.688 1.00 24.04 C ATOM 1366 CD GLU B 6 0.223 -13.407 -10.130 1.00 73.14 C ATOM 1367 OE1 GLU B 6 -1.007 -13.600 -10.185 1.00 12.34 O ATOM 1368 OE2 GLU B 6 1.053 -14.301 -10.416 1.00 61.45 O ATOM 0 H GLU B 6 1.286 -11.400 -5.770 1.00 63.22 H new ATOM 0 HA GLU B 6 2.442 -10.370 -8.122 1.00 54.10 H new ATOM 0 HB2 GLU B 6 1.588 -12.694 -7.824 1.00 64.21 H new ATOM 0 HB3 GLU B 6 -0.049 -12.087 -7.682 1.00 64.21 H new ATOM 0 HG2 GLU B 6 0.039 -11.262 -10.028 1.00 24.04 H new ATOM 0 HG3 GLU B 6 1.691 -11.829 -10.175 1.00 24.04 H new ATOM 1375 N LYS B 7 -0.683 -9.340 -7.540 1.00 0.13 N ATOM 1376 CA LYS B 7 -1.683 -8.303 -7.885 1.00 62.42 C ATOM 1377 C LYS B 7 -1.169 -6.872 -7.560 1.00 13.23 C ATOM 1378 O LYS B 7 -1.507 -5.926 -8.255 1.00 2.52 O ATOM 1379 CB LYS B 7 -3.065 -8.628 -7.219 1.00 63.44 C ATOM 1380 CG LYS B 7 -3.069 -8.820 -5.667 1.00 30.43 C ATOM 1381 CD LYS B 7 -3.160 -7.500 -4.841 1.00 33.30 C ATOM 1382 CE LYS B 7 -4.582 -6.889 -4.758 1.00 21.32 C ATOM 1383 NZ LYS B 7 -5.147 -6.521 -6.081 1.00 32.03 N ATOM 0 H LYS B 7 -0.987 -9.984 -6.810 1.00 0.13 H new ATOM 0 HA LYS B 7 -1.838 -8.319 -8.964 1.00 62.42 H new ATOM 0 HB2 LYS B 7 -3.758 -7.823 -7.464 1.00 63.44 H new ATOM 0 HB3 LYS B 7 -3.457 -9.537 -7.675 1.00 63.44 H new ATOM 0 HG2 LYS B 7 -3.910 -9.459 -5.397 1.00 30.43 H new ATOM 0 HG3 LYS B 7 -2.161 -9.350 -5.379 1.00 30.43 H new ATOM 0 HD2 LYS B 7 -2.802 -7.694 -3.830 1.00 33.30 H new ATOM 0 HD3 LYS B 7 -2.487 -6.764 -5.281 1.00 33.30 H new ATOM 0 HE2 LYS B 7 -5.248 -7.603 -4.273 1.00 21.32 H new ATOM 0 HE3 LYS B 7 -4.551 -6.002 -4.125 1.00 21.32 H new ATOM 0 HZ1 LYS B 7 -5.937 -5.858 -5.949 1.00 32.03 H new ATOM 0 HZ2 LYS B 7 -4.410 -6.070 -6.660 1.00 32.03 H new ATOM 0 HZ3 LYS B 7 -5.490 -7.377 -6.562 1.00 32.03 H new ATOM 1397 N ALA B 8 -0.325 -6.736 -6.517 1.00 42.12 N ATOM 1398 CA ALA B 8 0.317 -5.440 -6.169 1.00 11.33 C ATOM 1399 C ALA B 8 1.281 -4.948 -7.292 1.00 70.41 C ATOM 1400 O ALA B 8 1.180 -3.807 -7.762 1.00 71.22 O ATOM 1401 CB ALA B 8 1.069 -5.569 -4.831 1.00 22.02 C ATOM 0 H ALA B 8 -0.068 -7.505 -5.897 1.00 42.12 H new ATOM 0 HA ALA B 8 -0.471 -4.693 -6.069 1.00 11.33 H new ATOM 0 HB1 ALA B 8 1.536 -4.616 -4.583 1.00 22.02 H new ATOM 0 HB2 ALA B 8 0.367 -5.844 -4.044 1.00 22.02 H new ATOM 0 HB3 ALA B 8 1.837 -6.338 -4.918 1.00 22.02 H new ATOM 1407 N GLY B 9 2.186 -5.847 -7.723 1.00 12.43 N ATOM 1408 CA GLY B 9 3.218 -5.532 -8.731 1.00 12.43 C ATOM 1409 C GLY B 9 2.696 -5.417 -10.174 1.00 51.22 C ATOM 1410 O GLY B 9 3.209 -4.619 -10.968 1.00 72.12 O ATOM 0 H GLY B 9 2.223 -6.808 -7.384 1.00 12.43 H new ATOM 0 HA2 GLY B 9 3.699 -4.593 -8.457 1.00 12.43 H new ATOM 0 HA3 GLY B 9 3.986 -6.305 -8.698 1.00 12.43 H new ATOM 1414 N ALA B 10 1.701 -6.253 -10.518 1.00 3.54 N ATOM 1415 CA ALA B 10 1.099 -6.283 -11.873 1.00 70.22 C ATOM 1416 C ALA B 10 0.296 -4.995 -12.192 1.00 52.44 C ATOM 1417 O ALA B 10 0.495 -4.377 -13.245 1.00 5.45 O ATOM 1418 CB ALA B 10 0.206 -7.524 -12.025 1.00 42.34 C ATOM 0 H ALA B 10 1.289 -6.926 -9.872 1.00 3.54 H new ATOM 0 HA ALA B 10 1.917 -6.334 -12.592 1.00 70.22 H new ATOM 0 HB1 ALA B 10 -0.232 -7.537 -13.023 1.00 42.34 H new ATOM 0 HB2 ALA B 10 0.805 -8.423 -11.879 1.00 42.34 H new ATOM 0 HB3 ALA B 10 -0.590 -7.493 -11.280 1.00 42.34 H new ATOM 1424 N LEU B 11 -0.607 -4.599 -11.267 1.00 35.32 N ATOM 1425 CA LEU B 11 -1.460 -3.385 -11.426 1.00 23.44 C ATOM 1426 C LEU B 11 -0.613 -2.089 -11.506 1.00 33.44 C ATOM 1427 O LEU B 11 -1.051 -1.098 -12.091 1.00 74.43 O ATOM 1428 CB LEU B 11 -2.485 -3.297 -10.263 1.00 70.42 C ATOM 1429 CG LEU B 11 -3.476 -4.502 -10.144 1.00 22.52 C ATOM 1430 CD1 LEU B 11 -4.320 -4.411 -8.860 1.00 32.11 C ATOM 1431 CD2 LEU B 11 -4.367 -4.634 -11.394 1.00 71.03 C ATOM 0 H LEU B 11 -0.769 -5.102 -10.395 1.00 35.32 H new ATOM 0 HA LEU B 11 -1.997 -3.478 -12.370 1.00 23.44 H new ATOM 0 HB2 LEU B 11 -1.937 -3.206 -9.325 1.00 70.42 H new ATOM 0 HB3 LEU B 11 -3.066 -2.382 -10.382 1.00 70.42 H new ATOM 0 HG LEU B 11 -2.875 -5.409 -10.079 1.00 22.52 H new ATOM 0 HD11 LEU B 11 -4.998 -5.263 -8.809 1.00 32.11 H new ATOM 0 HD12 LEU B 11 -3.662 -4.418 -7.991 1.00 32.11 H new ATOM 0 HD13 LEU B 11 -4.899 -3.487 -8.870 1.00 32.11 H new ATOM 0 HD21 LEU B 11 -5.041 -5.482 -11.273 1.00 71.03 H new ATOM 0 HD22 LEU B 11 -4.950 -3.722 -11.523 1.00 71.03 H new ATOM 0 HD23 LEU B 11 -3.741 -4.791 -12.272 1.00 71.03 H new ATOM 1443 N ALA B 12 0.607 -2.136 -10.928 1.00 32.54 N ATOM 1444 CA ALA B 12 1.604 -1.040 -11.004 1.00 43.02 C ATOM 1445 C ALA B 12 1.942 -0.647 -12.469 1.00 55.51 C ATOM 1446 O ALA B 12 2.162 0.532 -12.768 1.00 32.40 O ATOM 1447 CB ALA B 12 2.882 -1.452 -10.260 1.00 24.14 C ATOM 0 H ALA B 12 0.932 -2.940 -10.391 1.00 32.54 H new ATOM 0 HA ALA B 12 1.164 -0.162 -10.531 1.00 43.02 H new ATOM 0 HB1 ALA B 12 3.613 -0.645 -10.317 1.00 24.14 H new ATOM 0 HB2 ALA B 12 2.646 -1.654 -9.215 1.00 24.14 H new ATOM 0 HB3 ALA B 12 3.296 -2.350 -10.718 1.00 24.14 H new ATOM 1453 N GLY B 13 1.992 -1.662 -13.360 1.00 53.21 N ATOM 1454 CA GLY B 13 2.209 -1.450 -14.802 1.00 5.20 C ATOM 1455 C GLY B 13 1.125 -0.584 -15.465 1.00 43.24 C ATOM 1456 O GLY B 13 1.439 0.377 -16.175 1.00 73.44 O ATOM 0 H GLY B 13 1.884 -2.642 -13.099 1.00 53.21 H new ATOM 0 HA2 GLY B 13 3.180 -0.978 -14.950 1.00 5.20 H new ATOM 0 HA3 GLY B 13 2.246 -2.418 -15.302 1.00 5.20 H new ATOM 1460 N GLN B 14 -0.153 -0.931 -15.206 1.00 11.11 N ATOM 1461 CA GLN B 14 -1.332 -0.202 -15.745 1.00 51.11 C ATOM 1462 C GLN B 14 -1.409 1.246 -15.200 1.00 33.15 C ATOM 1463 O GLN B 14 -1.678 2.189 -15.951 1.00 41.41 O ATOM 1464 CB GLN B 14 -2.638 -0.967 -15.395 1.00 43.50 C ATOM 1465 CG GLN B 14 -2.712 -2.401 -15.953 1.00 4.43 C ATOM 1466 CD GLN B 14 -4.027 -3.101 -15.597 1.00 63.32 C ATOM 1467 OE1 GLN B 14 -5.007 -3.019 -16.324 1.00 62.42 O ATOM 1468 NE2 GLN B 14 -4.059 -3.794 -14.481 1.00 25.13 N ATOM 0 H GLN B 14 -0.402 -1.725 -14.617 1.00 11.11 H new ATOM 0 HA GLN B 14 -1.219 -0.147 -16.828 1.00 51.11 H new ATOM 0 HB2 GLN B 14 -2.740 -1.008 -14.311 1.00 43.50 H new ATOM 0 HB3 GLN B 14 -3.488 -0.400 -15.774 1.00 43.50 H new ATOM 0 HG2 GLN B 14 -2.601 -2.372 -17.037 1.00 4.43 H new ATOM 0 HG3 GLN B 14 -1.877 -2.983 -15.563 1.00 4.43 H new ATOM 0 HE21 GLN B 14 -3.229 -3.848 -13.890 1.00 25.13 H new ATOM 0 HE22 GLN B 14 -4.914 -4.278 -14.205 1.00 25.13 H new ATOM 1477 N ILE B 15 -1.169 1.392 -13.882 1.00 64.33 N ATOM 1478 CA ILE B 15 -1.189 2.701 -13.183 1.00 32.21 C ATOM 1479 C ILE B 15 -0.075 3.639 -13.715 1.00 43.53 C ATOM 1480 O ILE B 15 -0.305 4.834 -13.904 1.00 73.12 O ATOM 1481 CB ILE B 15 -1.084 2.499 -11.617 1.00 11.53 C ATOM 1482 CG1 ILE B 15 -2.332 1.701 -11.102 1.00 32.54 C ATOM 1483 CG2 ILE B 15 -0.933 3.847 -10.858 1.00 31.02 C ATOM 1484 CD1 ILE B 15 -2.331 1.383 -9.617 1.00 54.53 C ATOM 0 H ILE B 15 -0.955 0.607 -13.267 1.00 64.33 H new ATOM 0 HA ILE B 15 -2.143 3.185 -13.393 1.00 32.21 H new ATOM 0 HB ILE B 15 -0.180 1.925 -11.413 1.00 11.53 H new ATOM 0 HG12 ILE B 15 -3.230 2.274 -11.334 1.00 32.54 H new ATOM 0 HG13 ILE B 15 -2.399 0.765 -11.657 1.00 32.54 H new ATOM 0 HG21 ILE B 15 -0.865 3.656 -9.787 1.00 31.02 H new ATOM 0 HG22 ILE B 15 -0.029 4.355 -11.194 1.00 31.02 H new ATOM 0 HG23 ILE B 15 -1.799 4.477 -11.060 1.00 31.02 H new ATOM 0 HD11 ILE B 15 -3.235 0.830 -9.363 1.00 54.53 H new ATOM 0 HD12 ILE B 15 -1.456 0.779 -9.375 1.00 54.53 H new ATOM 0 HD13 ILE B 15 -2.300 2.311 -9.046 1.00 54.53 H new ATOM 1496 N TRP B 16 1.115 3.069 -13.983 1.00 34.52 N ATOM 1497 CA TRP B 16 2.238 3.803 -14.612 1.00 21.23 C ATOM 1498 C TRP B 16 1.822 4.376 -15.994 1.00 0.11 C ATOM 1499 O TRP B 16 2.039 5.556 -16.274 1.00 3.11 O ATOM 1500 CB TRP B 16 3.476 2.878 -14.767 1.00 54.33 C ATOM 1501 CG TRP B 16 4.695 3.591 -15.304 1.00 22.11 C ATOM 1502 CD1 TRP B 16 5.600 4.302 -14.578 1.00 23.13 C ATOM 1503 CD2 TRP B 16 5.124 3.687 -16.674 1.00 50.24 C ATOM 1504 NE1 TRP B 16 6.564 4.829 -15.400 1.00 41.30 N ATOM 1505 CE2 TRP B 16 6.294 4.466 -16.692 1.00 3.21 C ATOM 1506 CE3 TRP B 16 4.628 3.184 -17.878 1.00 23.10 C ATOM 1507 CZ2 TRP B 16 6.976 4.759 -17.870 1.00 63.11 C ATOM 1508 CZ3 TRP B 16 5.302 3.474 -19.046 1.00 35.23 C ATOM 1509 CH2 TRP B 16 6.467 4.254 -19.036 1.00 35.43 C ATOM 0 H TRP B 16 1.328 2.094 -13.773 1.00 34.52 H new ATOM 0 HA TRP B 16 2.502 4.636 -13.960 1.00 21.23 H new ATOM 0 HB2 TRP B 16 3.717 2.441 -13.798 1.00 54.33 H new ATOM 0 HB3 TRP B 16 3.223 2.054 -15.434 1.00 54.33 H new ATOM 0 HD1 TRP B 16 5.565 4.433 -13.507 1.00 23.13 H new ATOM 0 HE1 TRP B 16 7.354 5.399 -15.097 1.00 41.30 H new ATOM 0 HE3 TRP B 16 3.733 2.579 -17.895 1.00 23.10 H new ATOM 0 HZ2 TRP B 16 7.872 5.362 -17.864 1.00 63.11 H new ATOM 0 HZ3 TRP B 16 4.926 3.094 -19.984 1.00 35.23 H new ATOM 0 HH2 TRP B 16 6.973 4.461 -19.967 1.00 35.43 H new ATOM 1520 N GLU B 17 1.220 3.505 -16.837 1.00 35.54 N ATOM 1521 CA GLU B 17 0.760 3.862 -18.206 1.00 43.22 C ATOM 1522 C GLU B 17 -0.322 4.968 -18.191 1.00 73.54 C ATOM 1523 O GLU B 17 -0.364 5.810 -19.094 1.00 10.02 O ATOM 1524 CB GLU B 17 0.227 2.605 -18.942 1.00 44.14 C ATOM 1525 CG GLU B 17 1.289 1.528 -19.213 1.00 42.22 C ATOM 1526 CD GLU B 17 0.711 0.284 -19.901 1.00 72.43 C ATOM 1527 OE1 GLU B 17 0.627 0.259 -21.148 1.00 0.15 O ATOM 1528 OE2 GLU B 17 0.319 -0.668 -19.199 1.00 31.21 O ATOM 0 H GLU B 17 1.038 2.532 -16.590 1.00 35.54 H new ATOM 0 HA GLU B 17 1.623 4.257 -18.742 1.00 43.22 H new ATOM 0 HB2 GLU B 17 -0.575 2.165 -18.350 1.00 44.14 H new ATOM 0 HB3 GLU B 17 -0.210 2.913 -19.892 1.00 44.14 H new ATOM 0 HG2 GLU B 17 2.077 1.950 -19.837 1.00 42.22 H new ATOM 0 HG3 GLU B 17 1.751 1.235 -18.271 1.00 42.22 H new ATOM 1535 N ALA B 18 -1.176 4.962 -17.149 1.00 33.43 N ATOM 1536 CA ALA B 18 -2.229 5.989 -16.956 1.00 0.21 C ATOM 1537 C ALA B 18 -1.616 7.404 -16.735 1.00 4.13 C ATOM 1538 O ALA B 18 -2.175 8.410 -17.182 1.00 42.15 O ATOM 1539 CB ALA B 18 -3.134 5.594 -15.773 1.00 12.42 C ATOM 0 H ALA B 18 -1.159 4.250 -16.418 1.00 33.43 H new ATOM 0 HA ALA B 18 -2.830 6.036 -17.864 1.00 0.21 H new ATOM 0 HB1 ALA B 18 -3.905 6.352 -15.636 1.00 12.42 H new ATOM 0 HB2 ALA B 18 -3.603 4.632 -15.979 1.00 12.42 H new ATOM 0 HB3 ALA B 18 -2.535 5.518 -14.866 1.00 12.42 H new ATOM 1545 N LEU B 19 -0.463 7.459 -16.036 1.00 5.02 N ATOM 1546 CA LEU B 19 0.263 8.727 -15.744 1.00 53.22 C ATOM 1547 C LEU B 19 1.410 8.999 -16.761 1.00 13.31 C ATOM 1548 O LEU B 19 1.999 10.088 -16.748 1.00 20.22 O ATOM 1549 CB LEU B 19 0.828 8.714 -14.285 1.00 20.44 C ATOM 1550 CG LEU B 19 -0.206 8.869 -13.114 1.00 22.34 C ATOM 1551 CD1 LEU B 19 -1.204 7.699 -13.054 1.00 60.35 C ATOM 1552 CD2 LEU B 19 0.510 9.043 -11.757 1.00 32.13 C ATOM 0 H LEU B 19 -0.004 6.631 -15.656 1.00 5.02 H new ATOM 0 HA LEU B 19 -0.460 9.537 -15.843 1.00 53.22 H new ATOM 0 HB2 LEU B 19 1.366 7.777 -14.139 1.00 20.44 H new ATOM 0 HB3 LEU B 19 1.559 9.518 -14.199 1.00 20.44 H new ATOM 0 HG LEU B 19 -0.780 9.772 -13.322 1.00 22.34 H new ATOM 0 HD11 LEU B 19 -1.897 7.854 -12.227 1.00 60.35 H new ATOM 0 HD12 LEU B 19 -1.761 7.647 -13.990 1.00 60.35 H new ATOM 0 HD13 LEU B 19 -0.662 6.766 -12.902 1.00 60.35 H new ATOM 0 HD21 LEU B 19 -0.232 9.148 -10.965 1.00 32.13 H new ATOM 0 HD22 LEU B 19 1.131 8.170 -11.559 1.00 32.13 H new ATOM 0 HD23 LEU B 19 1.136 9.934 -11.788 1.00 32.13 H new ATOM 1564 N ASN B 20 1.748 7.997 -17.603 1.00 53.42 N ATOM 1565 CA ASN B 20 2.798 8.130 -18.650 1.00 15.02 C ATOM 1566 C ASN B 20 2.450 9.245 -19.671 1.00 65.33 C ATOM 1567 O ASN B 20 1.382 9.216 -20.292 1.00 23.52 O ATOM 1568 CB ASN B 20 3.028 6.771 -19.368 1.00 44.53 C ATOM 1569 CG ASN B 20 4.204 6.791 -20.354 1.00 42.45 C ATOM 1570 OD1 ASN B 20 5.179 7.515 -20.169 1.00 62.34 O ATOM 1571 ND2 ASN B 20 4.133 5.987 -21.399 1.00 51.40 N ATOM 0 H ASN B 20 1.307 7.078 -17.581 1.00 53.42 H new ATOM 0 HA ASN B 20 3.725 8.421 -18.156 1.00 15.02 H new ATOM 0 HB2 ASN B 20 3.205 5.999 -18.619 1.00 44.53 H new ATOM 0 HB3 ASN B 20 2.120 6.494 -19.903 1.00 44.53 H new ATOM 0 HD21 ASN B 20 4.898 5.958 -22.073 1.00 51.40 H new ATOM 0 HD22 ASN B 20 3.313 5.395 -21.532 1.00 51.40 H new ATOM 1578 N GLY B 21 3.357 10.240 -19.812 1.00 13.14 N ATOM 1579 CA GLY B 21 3.133 11.396 -20.698 1.00 54.00 C ATOM 1580 C GLY B 21 2.043 12.357 -20.190 1.00 34.34 C ATOM 1581 O GLY B 21 1.466 13.119 -20.973 1.00 62.41 O ATOM 0 H GLY B 21 4.251 10.261 -19.321 1.00 13.14 H new ATOM 0 HA2 GLY B 21 4.068 11.945 -20.809 1.00 54.00 H new ATOM 0 HA3 GLY B 21 2.856 11.036 -21.689 1.00 54.00 H new ATOM 1585 N THR B 22 1.768 12.319 -18.872 1.00 35.34 N ATOM 1586 CA THR B 22 0.699 13.123 -18.229 1.00 23.21 C ATOM 1587 C THR B 22 1.277 14.050 -17.131 1.00 52.45 C ATOM 1588 O THR B 22 2.246 13.698 -16.446 1.00 35.24 O ATOM 1589 CB THR B 22 -0.398 12.176 -17.607 1.00 22.30 C ATOM 1590 OG1 THR B 22 -0.843 11.240 -18.607 1.00 73.45 O ATOM 1591 CG2 THR B 22 -1.626 12.939 -17.062 1.00 63.03 C ATOM 0 H THR B 22 2.281 11.729 -18.217 1.00 35.34 H new ATOM 0 HA THR B 22 0.243 13.747 -18.998 1.00 23.21 H new ATOM 0 HB THR B 22 0.069 11.667 -16.764 1.00 22.30 H new ATOM 0 HG1 THR B 22 -1.524 10.649 -18.222 1.00 73.45 H new ATOM 0 HG21 THR B 22 -2.342 12.228 -16.649 1.00 63.03 H new ATOM 0 HG22 THR B 22 -1.308 13.630 -16.281 1.00 63.03 H new ATOM 0 HG23 THR B 22 -2.096 13.498 -17.871 1.00 63.03 H new ATOM 1599 N GLU B 23 0.645 15.229 -16.976 1.00 30.25 N ATOM 1600 CA GLU B 23 0.974 16.246 -15.938 1.00 31.42 C ATOM 1601 C GLU B 23 0.714 15.743 -14.483 1.00 21.54 C ATOM 1602 O GLU B 23 1.209 16.330 -13.513 1.00 1.44 O ATOM 1603 CB GLU B 23 0.123 17.515 -16.234 1.00 32.02 C ATOM 1604 CG GLU B 23 -1.404 17.268 -16.203 1.00 31.22 C ATOM 1605 CD GLU B 23 -2.226 18.447 -16.757 1.00 1.04 C ATOM 1606 OE1 GLU B 23 -2.432 19.439 -16.028 1.00 3.20 O ATOM 1607 OE2 GLU B 23 -2.664 18.379 -17.929 1.00 43.13 O ATOM 0 H GLU B 23 -0.127 15.515 -17.578 1.00 30.25 H new ATOM 0 HA GLU B 23 2.041 16.462 -15.989 1.00 31.42 H new ATOM 0 HB2 GLU B 23 0.371 18.285 -15.504 1.00 32.02 H new ATOM 0 HB3 GLU B 23 0.398 17.904 -17.214 1.00 32.02 H new ATOM 0 HG2 GLU B 23 -1.631 16.373 -16.781 1.00 31.22 H new ATOM 0 HG3 GLU B 23 -1.712 17.071 -15.176 1.00 31.22 H new ATOM 1614 N GLY B 24 -0.082 14.663 -14.349 1.00 10.45 N ATOM 1615 CA GLY B 24 -0.415 14.065 -13.046 1.00 0.54 C ATOM 1616 C GLY B 24 -1.913 13.861 -12.849 1.00 53.01 C ATOM 1617 O GLY B 24 -2.719 14.637 -13.374 1.00 63.11 O ATOM 0 H GLY B 24 -0.510 14.184 -15.141 1.00 10.45 H new ATOM 0 HA2 GLY B 24 0.092 13.105 -12.953 1.00 0.54 H new ATOM 0 HA3 GLY B 24 -0.033 14.705 -12.251 1.00 0.54 H new ATOM 1621 N LEU B 25 -2.293 12.826 -12.072 1.00 22.20 N ATOM 1622 CA LEU B 25 -3.711 12.463 -11.819 1.00 54.21 C ATOM 1623 C LEU B 25 -3.936 12.130 -10.314 1.00 43.14 C ATOM 1624 O LEU B 25 -2.984 11.817 -9.586 1.00 32.12 O ATOM 1625 CB LEU B 25 -4.120 11.235 -12.691 1.00 42.34 C ATOM 1626 CG LEU B 25 -4.041 11.386 -14.249 1.00 32.33 C ATOM 1627 CD1 LEU B 25 -4.353 10.045 -14.955 1.00 23.44 C ATOM 1628 CD2 LEU B 25 -4.972 12.511 -14.762 1.00 41.11 C ATOM 0 H LEU B 25 -1.627 12.215 -11.599 1.00 22.20 H new ATOM 0 HA LEU B 25 -4.331 13.318 -12.087 1.00 54.21 H new ATOM 0 HB2 LEU B 25 -3.488 10.395 -12.404 1.00 42.34 H new ATOM 0 HB3 LEU B 25 -5.144 10.967 -12.432 1.00 42.34 H new ATOM 0 HG LEU B 25 -3.018 11.669 -14.496 1.00 32.33 H new ATOM 0 HD11 LEU B 25 -4.291 10.179 -16.035 1.00 23.44 H new ATOM 0 HD12 LEU B 25 -3.630 9.292 -14.641 1.00 23.44 H new ATOM 0 HD13 LEU B 25 -5.358 9.718 -14.687 1.00 23.44 H new ATOM 0 HD21 LEU B 25 -4.890 12.585 -15.846 1.00 41.11 H new ATOM 0 HD22 LEU B 25 -6.003 12.282 -14.491 1.00 41.11 H new ATOM 0 HD23 LEU B 25 -4.680 13.459 -14.310 1.00 41.11 H new ATOM 1640 N THR B 26 -5.205 12.208 -9.859 1.00 1.41 N ATOM 1641 CA THR B 26 -5.630 11.731 -8.508 1.00 41.51 C ATOM 1642 C THR B 26 -6.246 10.315 -8.602 1.00 0.21 C ATOM 1643 O THR B 26 -6.554 9.853 -9.708 1.00 73.44 O ATOM 1644 CB THR B 26 -6.682 12.684 -7.855 1.00 2.14 C ATOM 1645 OG1 THR B 26 -7.893 12.692 -8.631 1.00 55.51 O ATOM 1646 CG2 THR B 26 -6.146 14.122 -7.725 1.00 13.51 C ATOM 0 H THR B 26 -5.968 12.601 -10.410 1.00 1.41 H new ATOM 0 HA THR B 26 -4.735 11.715 -7.886 1.00 41.51 H new ATOM 0 HB THR B 26 -6.888 12.306 -6.853 1.00 2.14 H new ATOM 0 HG1 THR B 26 -8.546 13.291 -8.212 1.00 55.51 H new ATOM 0 HG21 THR B 26 -6.907 14.754 -7.267 1.00 13.51 H new ATOM 0 HG22 THR B 26 -5.251 14.122 -7.103 1.00 13.51 H new ATOM 0 HG23 THR B 26 -5.900 14.509 -8.714 1.00 13.51 H new ATOM 1654 N GLN B 27 -6.472 9.653 -7.437 1.00 42.52 N ATOM 1655 CA GLN B 27 -6.918 8.229 -7.385 1.00 4.14 C ATOM 1656 C GLN B 27 -8.223 7.963 -8.182 1.00 44.02 C ATOM 1657 O GLN B 27 -8.378 6.891 -8.756 1.00 1.24 O ATOM 1658 CB GLN B 27 -7.071 7.728 -5.915 1.00 23.23 C ATOM 1659 CG GLN B 27 -8.221 8.341 -5.092 1.00 61.50 C ATOM 1660 CD GLN B 27 -8.313 7.745 -3.682 1.00 13.24 C ATOM 1661 OE1 GLN B 27 -7.704 8.234 -2.741 1.00 12.24 O ATOM 1662 NE2 GLN B 27 -9.067 6.679 -3.527 1.00 13.22 N ATOM 0 H GLN B 27 -6.353 10.081 -6.519 1.00 42.52 H new ATOM 0 HA GLN B 27 -6.127 7.659 -7.872 1.00 4.14 H new ATOM 0 HB2 GLN B 27 -7.206 6.647 -5.936 1.00 23.23 H new ATOM 0 HB3 GLN B 27 -6.136 7.922 -5.390 1.00 23.23 H new ATOM 0 HG2 GLN B 27 -8.078 9.419 -5.019 1.00 61.50 H new ATOM 0 HG3 GLN B 27 -9.164 8.179 -5.614 1.00 61.50 H new ATOM 0 HE21 GLN B 27 -9.567 6.287 -4.325 1.00 13.22 H new ATOM 0 HE22 GLN B 27 -9.152 6.244 -2.608 1.00 13.22 H new ATOM 1671 N LYS B 28 -9.133 8.958 -8.210 1.00 30.30 N ATOM 1672 CA LYS B 28 -10.395 8.903 -8.992 1.00 72.55 C ATOM 1673 C LYS B 28 -10.130 8.758 -10.517 1.00 13.25 C ATOM 1674 O LYS B 28 -10.722 7.908 -11.195 1.00 24.44 O ATOM 1675 CB LYS B 28 -11.220 10.189 -8.719 1.00 74.32 C ATOM 1676 CG LYS B 28 -12.548 10.293 -9.510 1.00 42.30 C ATOM 1677 CD LYS B 28 -13.362 11.562 -9.163 1.00 64.22 C ATOM 1678 CE LYS B 28 -13.795 11.605 -7.686 1.00 53.40 C ATOM 1679 NZ LYS B 28 -14.597 12.810 -7.370 1.00 74.43 N ATOM 0 H LYS B 28 -9.017 9.828 -7.690 1.00 30.30 H new ATOM 0 HA LYS B 28 -10.952 8.022 -8.674 1.00 72.55 H new ATOM 0 HB2 LYS B 28 -11.444 10.240 -7.653 1.00 74.32 H new ATOM 0 HB3 LYS B 28 -10.604 11.056 -8.957 1.00 74.32 H new ATOM 0 HG2 LYS B 28 -12.329 10.289 -10.578 1.00 42.30 H new ATOM 0 HG3 LYS B 28 -13.156 9.411 -9.306 1.00 42.30 H new ATOM 0 HD2 LYS B 28 -12.764 12.445 -9.388 1.00 64.22 H new ATOM 0 HD3 LYS B 28 -14.247 11.606 -9.798 1.00 64.22 H new ATOM 0 HE2 LYS B 28 -14.377 10.713 -7.454 1.00 53.40 H new ATOM 0 HE3 LYS B 28 -12.910 11.583 -7.050 1.00 53.40 H new ATOM 0 HZ1 LYS B 28 -14.865 12.795 -6.365 1.00 74.43 H new ATOM 0 HZ2 LYS B 28 -14.034 13.663 -7.565 1.00 74.43 H new ATOM 0 HZ3 LYS B 28 -15.455 12.820 -7.957 1.00 74.43 H new ATOM 1693 N GLN B 29 -9.227 9.605 -11.029 1.00 33.14 N ATOM 1694 CA GLN B 29 -8.871 9.654 -12.467 1.00 34.11 C ATOM 1695 C GLN B 29 -8.076 8.399 -12.899 1.00 72.14 C ATOM 1696 O GLN B 29 -8.270 7.878 -14.004 1.00 24.03 O ATOM 1697 CB GLN B 29 -8.062 10.950 -12.743 1.00 72.11 C ATOM 1698 CG GLN B 29 -8.843 12.246 -12.425 1.00 52.04 C ATOM 1699 CD GLN B 29 -7.994 13.524 -12.446 1.00 73.40 C ATOM 1700 OE1 GLN B 29 -6.814 13.510 -12.124 1.00 75.23 O ATOM 1701 NE2 GLN B 29 -8.594 14.642 -12.813 1.00 44.21 N ATOM 0 H GLN B 29 -8.717 10.281 -10.461 1.00 33.14 H new ATOM 0 HA GLN B 29 -9.787 9.665 -13.058 1.00 34.11 H new ATOM 0 HB2 GLN B 29 -7.148 10.931 -12.149 1.00 72.11 H new ATOM 0 HB3 GLN B 29 -7.761 10.965 -13.791 1.00 72.11 H new ATOM 0 HG2 GLN B 29 -9.654 12.352 -13.146 1.00 52.04 H new ATOM 0 HG3 GLN B 29 -9.302 12.146 -11.441 1.00 52.04 H new ATOM 0 HE21 GLN B 29 -9.579 14.629 -13.077 1.00 44.21 H new ATOM 0 HE22 GLN B 29 -8.072 15.518 -12.832 1.00 44.21 H new ATOM 1710 N ILE B 30 -7.196 7.920 -12.006 1.00 33.43 N ATOM 1711 CA ILE B 30 -6.314 6.766 -12.279 1.00 43.24 C ATOM 1712 C ILE B 30 -7.097 5.434 -12.266 1.00 3.42 C ATOM 1713 O ILE B 30 -6.929 4.617 -13.169 1.00 3.23 O ATOM 1714 CB ILE B 30 -5.132 6.698 -11.245 1.00 3.52 C ATOM 1715 CG1 ILE B 30 -4.393 8.072 -11.180 1.00 2.13 C ATOM 1716 CG2 ILE B 30 -4.150 5.551 -11.605 1.00 11.22 C ATOM 1717 CD1 ILE B 30 -3.360 8.222 -10.075 1.00 74.43 C ATOM 0 H ILE B 30 -7.073 8.318 -11.075 1.00 33.43 H new ATOM 0 HA ILE B 30 -5.902 6.912 -13.277 1.00 43.24 H new ATOM 0 HB ILE B 30 -5.544 6.484 -10.259 1.00 3.52 H new ATOM 0 HG12 ILE B 30 -3.900 8.242 -12.137 1.00 2.13 H new ATOM 0 HG13 ILE B 30 -5.139 8.858 -11.062 1.00 2.13 H new ATOM 0 HG21 ILE B 30 -3.340 5.523 -10.876 1.00 11.22 H new ATOM 0 HG22 ILE B 30 -4.682 4.600 -11.593 1.00 11.22 H new ATOM 0 HG23 ILE B 30 -3.737 5.724 -12.599 1.00 11.22 H new ATOM 0 HD11 ILE B 30 -2.912 9.215 -10.128 1.00 74.43 H new ATOM 0 HD12 ILE B 30 -3.842 8.092 -9.106 1.00 74.43 H new ATOM 0 HD13 ILE B 30 -2.584 7.467 -10.198 1.00 74.43 H new ATOM 1729 N LYS B 31 -7.952 5.229 -11.238 1.00 61.04 N ATOM 1730 CA LYS B 31 -8.765 3.989 -11.105 1.00 3.44 C ATOM 1731 C LYS B 31 -9.734 3.824 -12.307 1.00 41.33 C ATOM 1732 O LYS B 31 -10.004 2.710 -12.747 1.00 24.33 O ATOM 1733 CB LYS B 31 -9.560 3.974 -9.762 1.00 72.02 C ATOM 1734 CG LYS B 31 -10.718 5.000 -9.674 1.00 25.10 C ATOM 1735 CD LYS B 31 -11.476 4.966 -8.327 1.00 41.31 C ATOM 1736 CE LYS B 31 -12.174 3.621 -8.057 1.00 52.14 C ATOM 1737 NZ LYS B 31 -12.956 3.637 -6.799 1.00 20.51 N ATOM 0 H LYS B 31 -8.100 5.903 -10.487 1.00 61.04 H new ATOM 0 HA LYS B 31 -8.074 3.146 -11.102 1.00 3.44 H new ATOM 0 HB2 LYS B 31 -9.968 2.975 -9.610 1.00 72.02 H new ATOM 0 HB3 LYS B 31 -8.865 4.162 -8.944 1.00 72.02 H new ATOM 0 HG2 LYS B 31 -10.317 6.002 -9.830 1.00 25.10 H new ATOM 0 HG3 LYS B 31 -11.423 4.809 -10.483 1.00 25.10 H new ATOM 0 HD2 LYS B 31 -10.775 5.173 -7.518 1.00 41.31 H new ATOM 0 HD3 LYS B 31 -12.220 5.763 -8.316 1.00 41.31 H new ATOM 0 HE2 LYS B 31 -12.835 3.383 -8.890 1.00 52.14 H new ATOM 0 HE3 LYS B 31 -11.426 2.829 -8.008 1.00 52.14 H new ATOM 0 HZ1 LYS B 31 -12.963 2.684 -6.383 1.00 20.51 H new ATOM 0 HZ2 LYS B 31 -12.522 4.304 -6.129 1.00 20.51 H new ATOM 0 HZ3 LYS B 31 -13.932 3.934 -7.001 1.00 20.51 H new ATOM 1751 N LYS B 32 -10.245 4.960 -12.824 1.00 54.23 N ATOM 1752 CA LYS B 32 -11.120 4.988 -14.011 1.00 3.34 C ATOM 1753 C LYS B 32 -10.316 4.643 -15.297 1.00 1.35 C ATOM 1754 O LYS B 32 -10.795 3.895 -16.159 1.00 25.42 O ATOM 1755 CB LYS B 32 -11.803 6.384 -14.121 1.00 21.23 C ATOM 1756 CG LYS B 32 -12.805 6.535 -15.288 1.00 50.22 C ATOM 1757 CD LYS B 32 -13.955 5.496 -15.234 1.00 74.41 C ATOM 1758 CE LYS B 32 -14.901 5.602 -16.441 1.00 72.41 C ATOM 1759 NZ LYS B 32 -14.175 5.450 -17.734 1.00 1.24 N ATOM 0 H LYS B 32 -10.062 5.883 -12.430 1.00 54.23 H new ATOM 0 HA LYS B 32 -11.897 4.231 -13.904 1.00 3.34 H new ATOM 0 HB2 LYS B 32 -12.324 6.591 -13.186 1.00 21.23 H new ATOM 0 HB3 LYS B 32 -11.028 7.143 -14.228 1.00 21.23 H new ATOM 0 HG2 LYS B 32 -13.228 7.539 -15.269 1.00 50.22 H new ATOM 0 HG3 LYS B 32 -12.272 6.431 -16.233 1.00 50.22 H new ATOM 0 HD2 LYS B 32 -13.532 4.492 -15.195 1.00 74.41 H new ATOM 0 HD3 LYS B 32 -14.525 5.637 -14.316 1.00 74.41 H new ATOM 0 HE2 LYS B 32 -15.672 4.835 -16.366 1.00 72.41 H new ATOM 0 HE3 LYS B 32 -15.408 6.567 -16.421 1.00 72.41 H new ATOM 0 HZ1 LYS B 32 -14.861 5.307 -18.503 1.00 1.24 H new ATOM 0 HZ2 LYS B 32 -13.618 6.308 -17.922 1.00 1.24 H new ATOM 0 HZ3 LYS B 32 -13.539 4.629 -17.681 1.00 1.24 H new ATOM 1773 N ALA B 33 -9.081 5.177 -15.393 1.00 64.45 N ATOM 1774 CA ALA B 33 -8.169 4.939 -16.543 1.00 42.25 C ATOM 1775 C ALA B 33 -7.675 3.474 -16.608 1.00 63.15 C ATOM 1776 O ALA B 33 -7.494 2.916 -17.691 1.00 33.23 O ATOM 1777 CB ALA B 33 -6.968 5.897 -16.461 1.00 23.00 C ATOM 0 H ALA B 33 -8.683 5.786 -14.678 1.00 64.45 H new ATOM 0 HA ALA B 33 -8.735 5.130 -17.455 1.00 42.25 H new ATOM 0 HB1 ALA B 33 -6.302 5.719 -17.306 1.00 23.00 H new ATOM 0 HB2 ALA B 33 -7.322 6.928 -16.489 1.00 23.00 H new ATOM 0 HB3 ALA B 33 -6.428 5.724 -15.530 1.00 23.00 H new ATOM 1783 N THR B 34 -7.459 2.872 -15.430 1.00 74.34 N ATOM 1784 CA THR B 34 -6.941 1.484 -15.284 1.00 11.52 C ATOM 1785 C THR B 34 -8.076 0.443 -15.159 1.00 44.31 C ATOM 1786 O THR B 34 -7.805 -0.763 -15.181 1.00 42.21 O ATOM 1787 CB THR B 34 -6.014 1.377 -14.028 1.00 54.14 C ATOM 1788 OG1 THR B 34 -6.759 1.728 -12.845 1.00 71.12 O ATOM 1789 CG2 THR B 34 -4.787 2.300 -14.140 1.00 60.23 C ATOM 0 H THR B 34 -7.637 3.331 -14.537 1.00 74.34 H new ATOM 0 HA THR B 34 -6.376 1.265 -16.190 1.00 11.52 H new ATOM 0 HB THR B 34 -5.661 0.348 -13.966 1.00 54.14 H new ATOM 0 HG1 THR B 34 -6.867 2.701 -12.803 1.00 71.12 H new ATOM 0 HG21 THR B 34 -4.170 2.195 -13.248 1.00 60.23 H new ATOM 0 HG22 THR B 34 -4.204 2.025 -15.019 1.00 60.23 H new ATOM 0 HG23 THR B 34 -5.117 3.335 -14.233 1.00 60.23 H new ATOM 1797 N LYS B 35 -9.333 0.941 -15.000 1.00 63.25 N ATOM 1798 CA LYS B 35 -10.574 0.122 -14.850 1.00 23.54 C ATOM 1799 C LYS B 35 -10.636 -0.595 -13.467 1.00 31.51 C ATOM 1800 O LYS B 35 -11.392 -1.557 -13.282 1.00 75.32 O ATOM 1801 CB LYS B 35 -10.759 -0.888 -16.027 1.00 35.23 C ATOM 1802 CG LYS B 35 -10.770 -0.240 -17.432 1.00 4.41 C ATOM 1803 CD LYS B 35 -10.900 -1.278 -18.571 1.00 0.33 C ATOM 1804 CE LYS B 35 -10.693 -0.661 -19.971 1.00 34.51 C ATOM 1805 NZ LYS B 35 -11.683 0.405 -20.281 1.00 55.24 N ATOM 0 H LYS B 35 -9.518 1.944 -14.972 1.00 63.25 H new ATOM 0 HA LYS B 35 -11.412 0.818 -14.891 1.00 23.54 H new ATOM 0 HB2 LYS B 35 -9.957 -1.625 -15.987 1.00 35.23 H new ATOM 0 HB3 LYS B 35 -11.695 -1.428 -15.882 1.00 35.23 H new ATOM 0 HG2 LYS B 35 -11.598 0.466 -17.495 1.00 4.41 H new ATOM 0 HG3 LYS B 35 -9.852 0.331 -17.571 1.00 4.41 H new ATOM 0 HD2 LYS B 35 -10.169 -2.072 -18.418 1.00 0.33 H new ATOM 0 HD3 LYS B 35 -11.886 -1.739 -18.525 1.00 0.33 H new ATOM 0 HE2 LYS B 35 -9.687 -0.247 -20.036 1.00 34.51 H new ATOM 0 HE3 LYS B 35 -10.763 -1.446 -20.724 1.00 34.51 H new ATOM 0 HZ1 LYS B 35 -11.498 0.784 -21.232 1.00 55.24 H new ATOM 0 HZ2 LYS B 35 -12.643 0.007 -20.247 1.00 55.24 H new ATOM 0 HZ3 LYS B 35 -11.600 1.170 -19.581 1.00 55.24 H new ATOM 1819 N LEU B 36 -9.852 -0.081 -12.494 1.00 14.14 N ATOM 1820 CA LEU B 36 -9.862 -0.565 -11.100 1.00 3.15 C ATOM 1821 C LEU B 36 -11.106 -0.023 -10.361 1.00 1.22 C ATOM 1822 O LEU B 36 -11.227 1.181 -10.126 1.00 41.52 O ATOM 1823 CB LEU B 36 -8.555 -0.155 -10.355 1.00 72.43 C ATOM 1824 CG LEU B 36 -7.237 -0.818 -10.880 1.00 74.41 C ATOM 1825 CD1 LEU B 36 -6.000 -0.312 -10.103 1.00 42.12 C ATOM 1826 CD2 LEU B 36 -7.332 -2.361 -10.846 1.00 24.34 C ATOM 0 H LEU B 36 -9.194 0.682 -12.655 1.00 14.14 H new ATOM 0 HA LEU B 36 -9.908 -1.654 -11.113 1.00 3.15 H new ATOM 0 HB2 LEU B 36 -8.446 0.928 -10.420 1.00 72.43 H new ATOM 0 HB3 LEU B 36 -8.668 -0.401 -9.299 1.00 72.43 H new ATOM 0 HG LEU B 36 -7.112 -0.519 -11.921 1.00 74.41 H new ATOM 0 HD11 LEU B 36 -5.103 -0.793 -10.494 1.00 42.12 H new ATOM 0 HD12 LEU B 36 -5.913 0.768 -10.221 1.00 42.12 H new ATOM 0 HD13 LEU B 36 -6.110 -0.554 -9.046 1.00 42.12 H new ATOM 0 HD21 LEU B 36 -6.402 -2.791 -11.217 1.00 24.34 H new ATOM 0 HD22 LEU B 36 -7.502 -2.693 -9.822 1.00 24.34 H new ATOM 0 HD23 LEU B 36 -8.159 -2.689 -11.476 1.00 24.34 H new ATOM 1838 N LYS B 37 -12.049 -0.926 -10.054 1.00 73.44 N ATOM 1839 CA LYS B 37 -13.267 -0.614 -9.276 1.00 41.42 C ATOM 1840 C LYS B 37 -12.908 -0.268 -7.810 1.00 1.25 C ATOM 1841 O LYS B 37 -13.399 0.721 -7.248 1.00 52.54 O ATOM 1842 CB LYS B 37 -14.231 -1.827 -9.319 1.00 63.24 C ATOM 1843 CG LYS B 37 -15.545 -1.657 -8.514 1.00 42.33 C ATOM 1844 CD LYS B 37 -16.394 -2.948 -8.483 1.00 34.53 C ATOM 1845 CE LYS B 37 -15.668 -4.128 -7.811 1.00 1.02 C ATOM 1846 NZ LYS B 37 -16.482 -5.367 -7.829 1.00 2.33 N ATOM 0 H LYS B 37 -11.991 -1.904 -10.339 1.00 73.44 H new ATOM 0 HA LYS B 37 -13.756 0.254 -9.719 1.00 41.42 H new ATOM 0 HB2 LYS B 37 -14.485 -2.032 -10.359 1.00 63.24 H new ATOM 0 HB3 LYS B 37 -13.704 -2.703 -8.941 1.00 63.24 H new ATOM 0 HG2 LYS B 37 -15.305 -1.359 -7.493 1.00 42.33 H new ATOM 0 HG3 LYS B 37 -16.133 -0.850 -8.951 1.00 42.33 H new ATOM 0 HD2 LYS B 37 -17.325 -2.751 -7.952 1.00 34.53 H new ATOM 0 HD3 LYS B 37 -16.661 -3.226 -9.503 1.00 34.53 H new ATOM 0 HE2 LYS B 37 -14.722 -4.309 -8.321 1.00 1.02 H new ATOM 0 HE3 LYS B 37 -15.429 -3.867 -6.780 1.00 1.02 H new ATOM 0 HZ1 LYS B 37 -15.955 -6.135 -7.367 1.00 2.33 H new ATOM 0 HZ2 LYS B 37 -17.374 -5.204 -7.320 1.00 2.33 H new ATOM 0 HZ3 LYS B 37 -16.689 -5.632 -8.813 1.00 2.33 H new ATOM 1860 N ALA B 38 -12.041 -1.099 -7.207 1.00 34.23 N ATOM 1861 CA ALA B 38 -11.612 -0.941 -5.802 1.00 40.11 C ATOM 1862 C ALA B 38 -10.330 -0.081 -5.702 1.00 71.20 C ATOM 1863 O ALA B 38 -9.353 -0.307 -6.431 1.00 41.03 O ATOM 1864 CB ALA B 38 -11.395 -2.319 -5.160 1.00 52.12 C ATOM 0 H ALA B 38 -11.617 -1.899 -7.677 1.00 34.23 H new ATOM 0 HA ALA B 38 -12.401 -0.421 -5.259 1.00 40.11 H new ATOM 0 HB1 ALA B 38 -11.079 -2.192 -4.125 1.00 52.12 H new ATOM 0 HB2 ALA B 38 -12.326 -2.884 -5.189 1.00 52.12 H new ATOM 0 HB3 ALA B 38 -10.625 -2.860 -5.711 1.00 52.12 H new ATOM 1870 N ASP B 39 -10.352 0.900 -4.784 1.00 74.44 N ATOM 1871 CA ASP B 39 -9.213 1.810 -4.513 1.00 52.51 C ATOM 1872 C ASP B 39 -8.024 1.078 -3.863 1.00 11.54 C ATOM 1873 O ASP B 39 -6.894 1.541 -3.946 1.00 4.13 O ATOM 1874 CB ASP B 39 -9.678 2.971 -3.610 1.00 3.05 C ATOM 1875 CG ASP B 39 -10.852 3.726 -4.234 1.00 62.42 C ATOM 1876 OD1 ASP B 39 -10.616 4.633 -5.059 1.00 23.32 O ATOM 1877 OD2 ASP B 39 -12.020 3.376 -3.951 1.00 51.21 O ATOM 0 H ASP B 39 -11.167 1.090 -4.200 1.00 74.44 H new ATOM 0 HA ASP B 39 -8.868 2.200 -5.470 1.00 52.51 H new ATOM 0 HB2 ASP B 39 -9.971 2.581 -2.635 1.00 3.05 H new ATOM 0 HB3 ASP B 39 -8.849 3.658 -3.442 1.00 3.05 H new ATOM 1882 N LYS B 40 -8.310 -0.045 -3.181 1.00 14.23 N ATOM 1883 CA LYS B 40 -7.283 -0.892 -2.510 1.00 42.23 C ATOM 1884 C LYS B 40 -6.291 -1.509 -3.526 1.00 51.11 C ATOM 1885 O LYS B 40 -5.099 -1.659 -3.238 1.00 41.12 O ATOM 1886 CB LYS B 40 -7.987 -1.999 -1.685 1.00 25.32 C ATOM 1887 CG LYS B 40 -9.075 -1.453 -0.738 1.00 34.22 C ATOM 1888 CD LYS B 40 -8.515 -0.492 0.345 1.00 1.55 C ATOM 1889 CE LYS B 40 -9.620 0.331 1.021 1.00 43.13 C ATOM 1890 NZ LYS B 40 -10.691 -0.522 1.602 1.00 43.21 N ATOM 0 H LYS B 40 -9.260 -0.400 -3.074 1.00 14.23 H new ATOM 0 HA LYS B 40 -6.699 -0.259 -1.843 1.00 42.23 H new ATOM 0 HB2 LYS B 40 -8.437 -2.720 -2.367 1.00 25.32 H new ATOM 0 HB3 LYS B 40 -7.241 -2.536 -1.099 1.00 25.32 H new ATOM 0 HG2 LYS B 40 -9.829 -0.929 -1.325 1.00 34.22 H new ATOM 0 HG3 LYS B 40 -9.576 -2.289 -0.249 1.00 34.22 H new ATOM 0 HD2 LYS B 40 -7.982 -1.070 1.100 1.00 1.55 H new ATOM 0 HD3 LYS B 40 -7.790 0.182 -0.111 1.00 1.55 H new ATOM 0 HE2 LYS B 40 -9.182 0.945 1.808 1.00 43.13 H new ATOM 0 HE3 LYS B 40 -10.058 1.013 0.292 1.00 43.13 H new ATOM 0 HZ1 LYS B 40 -11.359 0.073 2.133 1.00 43.21 H new ATOM 0 HZ2 LYS B 40 -11.197 -1.013 0.837 1.00 43.21 H new ATOM 0 HZ3 LYS B 40 -10.267 -1.223 2.242 1.00 43.21 H new ATOM 1904 N ASP B 41 -6.809 -1.836 -4.719 1.00 33.11 N ATOM 1905 CA ASP B 41 -6.006 -2.305 -5.866 1.00 62.25 C ATOM 1906 C ASP B 41 -5.064 -1.186 -6.371 1.00 3.22 C ATOM 1907 O ASP B 41 -3.914 -1.446 -6.756 1.00 73.20 O ATOM 1908 CB ASP B 41 -6.962 -2.768 -6.991 1.00 2.43 C ATOM 1909 CG ASP B 41 -7.720 -4.053 -6.626 1.00 52.42 C ATOM 1910 OD1 ASP B 41 -8.584 -4.010 -5.728 1.00 44.32 O ATOM 1911 OD2 ASP B 41 -7.425 -5.120 -7.207 1.00 43.34 O ATOM 0 H ASP B 41 -7.808 -1.783 -4.920 1.00 33.11 H new ATOM 0 HA ASP B 41 -5.382 -3.142 -5.554 1.00 62.25 H new ATOM 0 HB2 ASP B 41 -7.679 -1.975 -7.204 1.00 2.43 H new ATOM 0 HB3 ASP B 41 -6.390 -2.934 -7.904 1.00 2.43 H new ATOM 1916 N PHE B 42 -5.580 0.060 -6.348 1.00 74.12 N ATOM 1917 CA PHE B 42 -4.801 1.265 -6.677 1.00 13.11 C ATOM 1918 C PHE B 42 -3.677 1.522 -5.631 1.00 55.52 C ATOM 1919 O PHE B 42 -2.552 1.805 -6.013 1.00 41.41 O ATOM 1920 CB PHE B 42 -5.735 2.508 -6.802 1.00 73.34 C ATOM 1921 CG PHE B 42 -4.978 3.836 -6.862 1.00 72.14 C ATOM 1922 CD1 PHE B 42 -4.294 4.212 -8.015 1.00 65.30 C ATOM 1923 CD2 PHE B 42 -4.905 4.679 -5.748 1.00 1.51 C ATOM 1924 CE1 PHE B 42 -3.575 5.385 -8.053 1.00 11.45 C ATOM 1925 CE2 PHE B 42 -4.175 5.848 -5.791 1.00 72.10 C ATOM 1926 CZ PHE B 42 -3.516 6.204 -6.947 1.00 30.31 C ATOM 0 H PHE B 42 -6.550 0.256 -6.100 1.00 74.12 H new ATOM 0 HA PHE B 42 -4.321 1.095 -7.641 1.00 13.11 H new ATOM 0 HB2 PHE B 42 -6.345 2.406 -7.700 1.00 73.34 H new ATOM 0 HB3 PHE B 42 -6.418 2.526 -5.953 1.00 73.34 H new ATOM 0 HD1 PHE B 42 -4.328 3.577 -8.888 1.00 65.30 H new ATOM 0 HD2 PHE B 42 -5.428 4.411 -4.842 1.00 1.51 H new ATOM 0 HE1 PHE B 42 -3.053 5.665 -8.956 1.00 11.45 H new ATOM 0 HE2 PHE B 42 -4.120 6.484 -4.920 1.00 72.10 H new ATOM 0 HZ PHE B 42 -2.953 7.125 -6.986 1.00 30.31 H new ATOM 1936 N PHE B 43 -4.002 1.443 -4.323 1.00 30.30 N ATOM 1937 CA PHE B 43 -3.038 1.773 -3.232 1.00 45.50 C ATOM 1938 C PHE B 43 -1.801 0.834 -3.229 1.00 42.24 C ATOM 1939 O PHE B 43 -0.684 1.275 -2.946 1.00 53.44 O ATOM 1940 CB PHE B 43 -3.738 1.742 -1.843 1.00 23.01 C ATOM 1941 CG PHE B 43 -4.863 2.771 -1.673 1.00 22.11 C ATOM 1942 CD1 PHE B 43 -4.698 4.093 -2.102 1.00 71.33 C ATOM 1943 CD2 PHE B 43 -6.075 2.426 -1.070 1.00 53.05 C ATOM 1944 CE1 PHE B 43 -5.711 5.023 -1.949 1.00 63.22 C ATOM 1945 CE2 PHE B 43 -7.086 3.356 -0.919 1.00 72.32 C ATOM 1946 CZ PHE B 43 -6.903 4.656 -1.354 1.00 33.23 C ATOM 0 H PHE B 43 -4.922 1.155 -3.989 1.00 30.30 H new ATOM 0 HA PHE B 43 -2.680 2.784 -3.428 1.00 45.50 H new ATOM 0 HB2 PHE B 43 -4.147 0.745 -1.679 1.00 23.01 H new ATOM 0 HB3 PHE B 43 -2.989 1.911 -1.069 1.00 23.01 H new ATOM 0 HD1 PHE B 43 -3.766 4.392 -2.559 1.00 71.33 H new ATOM 0 HD2 PHE B 43 -6.224 1.417 -0.716 1.00 53.05 H new ATOM 0 HE1 PHE B 43 -5.570 6.036 -2.295 1.00 63.22 H new ATOM 0 HE2 PHE B 43 -8.020 3.067 -0.461 1.00 72.32 H new ATOM 0 HZ PHE B 43 -7.691 5.384 -1.229 1.00 33.23 H new ATOM 1956 N LEU B 44 -2.023 -0.455 -3.548 1.00 54.12 N ATOM 1957 CA LEU B 44 -0.936 -1.463 -3.674 1.00 2.54 C ATOM 1958 C LEU B 44 -0.118 -1.262 -4.982 1.00 25.34 C ATOM 1959 O LEU B 44 1.108 -1.444 -4.983 1.00 41.01 O ATOM 1960 CB LEU B 44 -1.516 -2.913 -3.578 1.00 13.04 C ATOM 1961 CG LEU B 44 -1.733 -3.479 -2.126 1.00 44.01 C ATOM 1962 CD1 LEU B 44 -2.698 -2.611 -1.284 1.00 15.15 C ATOM 1963 CD2 LEU B 44 -2.199 -4.954 -2.164 1.00 4.02 C ATOM 0 H LEU B 44 -2.954 -0.833 -3.726 1.00 54.12 H new ATOM 0 HA LEU B 44 -0.247 -1.319 -2.842 1.00 2.54 H new ATOM 0 HB2 LEU B 44 -2.472 -2.935 -4.101 1.00 13.04 H new ATOM 0 HB3 LEU B 44 -0.845 -3.586 -4.112 1.00 13.04 H new ATOM 0 HG LEU B 44 -0.764 -3.439 -1.629 1.00 44.01 H new ATOM 0 HD11 LEU B 44 -2.810 -3.049 -0.292 1.00 15.15 H new ATOM 0 HD12 LEU B 44 -2.294 -1.603 -1.192 1.00 15.15 H new ATOM 0 HD13 LEU B 44 -3.671 -2.569 -1.774 1.00 15.15 H new ATOM 0 HD21 LEU B 44 -2.340 -5.317 -1.146 1.00 4.02 H new ATOM 0 HD22 LEU B 44 -3.141 -5.024 -2.708 1.00 4.02 H new ATOM 0 HD23 LEU B 44 -1.445 -5.561 -2.664 1.00 4.02 H new ATOM 1975 N GLY B 45 -0.809 -0.880 -6.080 1.00 2.34 N ATOM 1976 CA GLY B 45 -0.148 -0.597 -7.369 1.00 53.32 C ATOM 1977 C GLY B 45 0.747 0.656 -7.319 1.00 32.34 C ATOM 1978 O GLY B 45 1.931 0.598 -7.641 1.00 34.23 O ATOM 0 H GLY B 45 -1.822 -0.762 -6.097 1.00 2.34 H new ATOM 0 HA2 GLY B 45 0.455 -1.457 -7.659 1.00 53.32 H new ATOM 0 HA3 GLY B 45 -0.907 -0.465 -8.140 1.00 53.32 H new ATOM 1982 N LEU B 46 0.153 1.790 -6.901 1.00 12.22 N ATOM 1983 CA LEU B 46 0.872 3.064 -6.619 1.00 52.33 C ATOM 1984 C LEU B 46 1.971 2.877 -5.540 1.00 62.31 C ATOM 1985 O LEU B 46 3.021 3.521 -5.587 1.00 40.32 O ATOM 1986 CB LEU B 46 -0.131 4.149 -6.141 1.00 1.04 C ATOM 1987 CG LEU B 46 0.489 5.549 -5.801 1.00 70.32 C ATOM 1988 CD1 LEU B 46 1.040 6.241 -7.067 1.00 55.41 C ATOM 1989 CD2 LEU B 46 -0.510 6.451 -5.039 1.00 22.20 C ATOM 0 H LEU B 46 -0.853 1.856 -6.745 1.00 12.22 H new ATOM 0 HA LEU B 46 1.350 3.380 -7.546 1.00 52.33 H new ATOM 0 HB2 LEU B 46 -0.886 4.285 -6.915 1.00 1.04 H new ATOM 0 HB3 LEU B 46 -0.646 3.776 -5.256 1.00 1.04 H new ATOM 0 HG LEU B 46 1.332 5.378 -5.131 1.00 70.32 H new ATOM 0 HD11 LEU B 46 1.463 7.209 -6.798 1.00 55.41 H new ATOM 0 HD12 LEU B 46 1.815 5.618 -7.514 1.00 55.41 H new ATOM 0 HD13 LEU B 46 0.232 6.385 -7.784 1.00 55.41 H new ATOM 0 HD21 LEU B 46 -0.041 7.411 -4.823 1.00 22.20 H new ATOM 0 HD22 LEU B 46 -1.397 6.610 -5.652 1.00 22.20 H new ATOM 0 HD23 LEU B 46 -0.796 5.968 -4.105 1.00 22.20 H new ATOM 2001 N GLY B 47 1.701 1.985 -4.576 1.00 4.22 N ATOM 2002 CA GLY B 47 2.670 1.625 -3.527 1.00 21.31 C ATOM 2003 C GLY B 47 3.935 0.973 -4.096 1.00 23.20 C ATOM 2004 O GLY B 47 5.041 1.132 -3.556 1.00 60.21 O ATOM 0 H GLY B 47 0.810 1.494 -4.500 1.00 4.22 H new ATOM 0 HA2 GLY B 47 2.946 2.520 -2.969 1.00 21.31 H new ATOM 0 HA3 GLY B 47 2.199 0.941 -2.821 1.00 21.31 H new ATOM 2008 N TRP B 48 3.751 0.244 -5.212 1.00 11.21 N ATOM 2009 CA TRP B 48 4.852 -0.362 -5.973 1.00 61.35 C ATOM 2010 C TRP B 48 5.596 0.710 -6.828 1.00 3.32 C ATOM 2011 O TRP B 48 6.793 0.592 -7.093 1.00 12.33 O ATOM 2012 CB TRP B 48 4.322 -1.518 -6.858 1.00 32.13 C ATOM 2013 CG TRP B 48 5.387 -2.512 -7.234 1.00 5.35 C ATOM 2014 CD1 TRP B 48 6.239 -2.467 -8.306 1.00 74.22 C ATOM 2015 CD2 TRP B 48 5.729 -3.695 -6.499 1.00 43.21 C ATOM 2016 NE1 TRP B 48 7.092 -3.541 -8.271 1.00 15.45 N ATOM 2017 CE2 TRP B 48 6.793 -4.313 -7.173 1.00 45.30 C ATOM 2018 CE3 TRP B 48 5.232 -4.283 -5.329 1.00 55.13 C ATOM 2019 CZ2 TRP B 48 7.373 -5.493 -6.719 1.00 23.32 C ATOM 2020 CZ3 TRP B 48 5.802 -5.458 -4.880 1.00 41.23 C ATOM 2021 CH2 TRP B 48 6.866 -6.051 -5.573 1.00 43.20 C ATOM 0 H TRP B 48 2.830 0.060 -5.610 1.00 11.21 H new ATOM 0 HA TRP B 48 5.573 -0.776 -5.268 1.00 61.35 H new ATOM 0 HB2 TRP B 48 3.522 -2.035 -6.328 1.00 32.13 H new ATOM 0 HB3 TRP B 48 3.886 -1.101 -7.766 1.00 32.13 H new ATOM 0 HD1 TRP B 48 6.239 -1.700 -9.066 1.00 74.22 H new ATOM 0 HE1 TRP B 48 7.828 -3.735 -8.949 1.00 15.45 H new ATOM 0 HE3 TRP B 48 4.417 -3.826 -4.787 1.00 55.13 H new ATOM 0 HZ2 TRP B 48 8.193 -5.953 -7.250 1.00 23.32 H new ATOM 0 HZ3 TRP B 48 5.423 -5.926 -3.983 1.00 41.23 H new ATOM 0 HH2 TRP B 48 7.296 -6.967 -5.197 1.00 43.20 H new ATOM 2032 N LEU B 49 4.874 1.756 -7.262 1.00 1.31 N ATOM 2033 CA LEU B 49 5.496 2.951 -7.899 1.00 41.22 C ATOM 2034 C LEU B 49 6.373 3.732 -6.875 1.00 35.11 C ATOM 2035 O LEU B 49 7.373 4.352 -7.249 1.00 60.12 O ATOM 2036 CB LEU B 49 4.400 3.885 -8.516 1.00 5.21 C ATOM 2037 CG LEU B 49 3.845 3.509 -9.935 1.00 10.14 C ATOM 2038 CD1 LEU B 49 3.467 2.038 -10.035 1.00 71.43 C ATOM 2039 CD2 LEU B 49 2.638 4.394 -10.310 1.00 73.43 C ATOM 0 H LEU B 49 3.858 1.808 -7.188 1.00 1.31 H new ATOM 0 HA LEU B 49 6.143 2.606 -8.706 1.00 41.22 H new ATOM 0 HB2 LEU B 49 3.559 3.920 -7.824 1.00 5.21 H new ATOM 0 HB3 LEU B 49 4.809 4.894 -8.571 1.00 5.21 H new ATOM 0 HG LEU B 49 4.652 3.692 -10.645 1.00 10.14 H new ATOM 0 HD11 LEU B 49 3.088 1.827 -11.035 1.00 71.43 H new ATOM 0 HD12 LEU B 49 4.346 1.423 -9.842 1.00 71.43 H new ATOM 0 HD13 LEU B 49 2.696 1.810 -9.299 1.00 71.43 H new ATOM 0 HD21 LEU B 49 2.273 4.112 -11.298 1.00 73.43 H new ATOM 0 HD22 LEU B 49 1.844 4.256 -9.577 1.00 73.43 H new ATOM 0 HD23 LEU B 49 2.943 5.440 -10.321 1.00 73.43 H new ATOM 2051 N LEU B 50 5.977 3.681 -5.588 1.00 32.33 N ATOM 2052 CA LEU B 50 6.704 4.335 -4.475 1.00 53.23 C ATOM 2053 C LEU B 50 8.011 3.578 -4.081 1.00 44.01 C ATOM 2054 O LEU B 50 9.000 4.216 -3.705 1.00 21.25 O ATOM 2055 CB LEU B 50 5.759 4.483 -3.247 1.00 44.21 C ATOM 2056 CG LEU B 50 4.599 5.521 -3.387 1.00 33.41 C ATOM 2057 CD1 LEU B 50 3.614 5.439 -2.194 1.00 34.32 C ATOM 2058 CD2 LEU B 50 5.165 6.950 -3.548 1.00 43.01 C ATOM 0 H LEU B 50 5.139 3.183 -5.287 1.00 32.33 H new ATOM 0 HA LEU B 50 7.013 5.322 -4.819 1.00 53.23 H new ATOM 0 HB2 LEU B 50 5.322 3.508 -3.032 1.00 44.21 H new ATOM 0 HB3 LEU B 50 6.362 4.759 -2.382 1.00 44.21 H new ATOM 0 HG LEU B 50 4.036 5.274 -4.287 1.00 33.41 H new ATOM 0 HD11 LEU B 50 2.821 6.175 -2.326 1.00 34.32 H new ATOM 0 HD12 LEU B 50 3.179 4.441 -2.150 1.00 34.32 H new ATOM 0 HD13 LEU B 50 4.148 5.643 -1.266 1.00 34.32 H new ATOM 0 HD21 LEU B 50 4.342 7.659 -3.644 1.00 43.01 H new ATOM 0 HD22 LEU B 50 5.763 7.205 -2.673 1.00 43.01 H new ATOM 0 HD23 LEU B 50 5.789 6.996 -4.440 1.00 43.01 H new ATOM 2070 N ARG B 51 8.011 2.219 -4.138 1.00 21.41 N ATOM 2071 CA ARG B 51 9.253 1.407 -3.898 1.00 33.44 C ATOM 2072 C ARG B 51 10.263 1.544 -5.050 1.00 35.22 C ATOM 2073 O ARG B 51 11.470 1.368 -4.861 1.00 75.21 O ATOM 2074 CB ARG B 51 8.915 -0.093 -3.623 1.00 2.34 C ATOM 2075 CG ARG B 51 8.199 -0.883 -4.753 1.00 74.21 C ATOM 2076 CD ARG B 51 9.129 -1.753 -5.616 1.00 20.10 C ATOM 2077 NE ARG B 51 9.556 -2.972 -4.917 1.00 25.20 N ATOM 2078 CZ ARG B 51 10.488 -3.797 -5.323 1.00 51.31 C ATOM 2079 NH1 ARG B 51 11.237 -3.532 -6.354 1.00 60.20 N ATOM 2080 NH2 ARG B 51 10.691 -4.884 -4.659 1.00 71.21 N ATOM 0 H ARG B 51 7.182 1.662 -4.344 1.00 21.41 H new ATOM 0 HA ARG B 51 9.725 1.812 -3.003 1.00 33.44 H new ATOM 0 HB2 ARG B 51 9.845 -0.610 -3.388 1.00 2.34 H new ATOM 0 HB3 ARG B 51 8.290 -0.139 -2.731 1.00 2.34 H new ATOM 0 HG2 ARG B 51 7.438 -1.522 -4.305 1.00 74.21 H new ATOM 0 HG3 ARG B 51 7.681 -0.176 -5.400 1.00 74.21 H new ATOM 0 HD2 ARG B 51 8.616 -2.026 -6.538 1.00 20.10 H new ATOM 0 HD3 ARG B 51 10.007 -1.173 -5.900 1.00 20.10 H new ATOM 0 HE ARG B 51 9.086 -3.195 -4.040 1.00 25.20 H new ATOM 0 HH11 ARG B 51 11.106 -2.662 -6.869 1.00 60.20 H new ATOM 0 HH12 ARG B 51 11.955 -4.195 -6.646 1.00 60.20 H new ATOM 0 HH21 ARG B 51 10.130 -5.089 -3.832 1.00 71.21 H new ATOM 0 HH22 ARG B 51 11.413 -5.539 -4.961 1.00 71.21 H new ATOM 2094 N GLU B 52 9.749 1.854 -6.245 1.00 3.14 N ATOM 2095 CA GLU B 52 10.579 2.162 -7.418 1.00 34.33 C ATOM 2096 C GLU B 52 10.909 3.670 -7.478 1.00 42.23 C ATOM 2097 O GLU B 52 11.689 4.090 -8.331 1.00 32.11 O ATOM 2098 CB GLU B 52 9.834 1.718 -8.703 1.00 15.11 C ATOM 2099 CG GLU B 52 9.527 0.204 -8.804 1.00 43.04 C ATOM 2100 CD GLU B 52 10.781 -0.677 -8.989 1.00 53.13 C ATOM 2101 OE1 GLU B 52 11.413 -1.064 -7.984 1.00 23.53 O ATOM 2102 OE2 GLU B 52 11.135 -0.985 -10.148 1.00 25.03 O ATOM 0 H GLU B 52 8.747 1.899 -6.428 1.00 3.14 H new ATOM 0 HA GLU B 52 11.521 1.618 -7.339 1.00 34.33 H new ATOM 0 HB2 GLU B 52 8.894 2.267 -8.766 1.00 15.11 H new ATOM 0 HB3 GLU B 52 10.431 2.009 -9.567 1.00 15.11 H new ATOM 0 HG2 GLU B 52 9.003 -0.112 -7.902 1.00 43.04 H new ATOM 0 HG3 GLU B 52 8.850 0.036 -9.641 1.00 43.04 H new ATOM 2109 N ASP B 53 10.254 4.471 -6.582 1.00 72.44 N ATOM 2110 CA ASP B 53 10.360 5.959 -6.484 1.00 4.51 C ATOM 2111 C ASP B 53 10.118 6.669 -7.841 1.00 64.24 C ATOM 2112 O ASP B 53 10.511 7.822 -8.038 1.00 11.33 O ATOM 2113 CB ASP B 53 11.661 6.437 -5.754 1.00 21.03 C ATOM 2114 CG ASP B 53 12.991 6.026 -6.422 1.00 12.54 C ATOM 2115 OD1 ASP B 53 13.433 6.709 -7.366 1.00 10.43 O ATOM 2116 OD2 ASP B 53 13.610 5.028 -5.986 1.00 45.03 O ATOM 0 H ASP B 53 9.617 4.083 -5.886 1.00 72.44 H new ATOM 0 HA ASP B 53 9.540 6.275 -5.839 1.00 4.51 H new ATOM 0 HB2 ASP B 53 11.634 7.524 -5.677 1.00 21.03 H new ATOM 0 HB3 ASP B 53 11.650 6.045 -4.737 1.00 21.03 H new ATOM 2121 N LYS B 54 9.375 5.984 -8.733 1.00 31.32 N ATOM 2122 CA LYS B 54 9.036 6.488 -10.079 1.00 73.22 C ATOM 2123 C LYS B 54 7.788 7.409 -10.062 1.00 73.02 C ATOM 2124 O LYS B 54 7.289 7.789 -11.118 1.00 13.54 O ATOM 2125 CB LYS B 54 8.834 5.301 -11.065 1.00 42.34 C ATOM 2126 CG LYS B 54 7.716 4.301 -10.682 1.00 1.32 C ATOM 2127 CD LYS B 54 7.386 3.253 -11.786 1.00 61.15 C ATOM 2128 CE LYS B 54 8.464 2.170 -12.017 1.00 21.43 C ATOM 2129 NZ LYS B 54 9.747 2.708 -12.540 1.00 0.34 N ATOM 0 H LYS B 54 8.991 5.059 -8.538 1.00 31.32 H new ATOM 0 HA LYS B 54 9.874 7.095 -10.422 1.00 73.22 H new ATOM 0 HB2 LYS B 54 8.613 5.705 -12.053 1.00 42.34 H new ATOM 0 HB3 LYS B 54 9.774 4.755 -11.147 1.00 42.34 H new ATOM 0 HG2 LYS B 54 8.011 3.774 -9.775 1.00 1.32 H new ATOM 0 HG3 LYS B 54 6.810 4.860 -10.446 1.00 1.32 H new ATOM 0 HD2 LYS B 54 6.450 2.759 -11.526 1.00 61.15 H new ATOM 0 HD3 LYS B 54 7.218 3.780 -12.725 1.00 61.15 H new ATOM 0 HE2 LYS B 54 8.653 1.652 -11.077 1.00 21.43 H new ATOM 0 HE3 LYS B 54 8.078 1.429 -12.717 1.00 21.43 H new ATOM 0 HZ1 LYS B 54 10.153 2.036 -13.222 1.00 0.34 H new ATOM 0 HZ2 LYS B 54 9.575 3.618 -13.012 1.00 0.34 H new ATOM 0 HZ3 LYS B 54 10.412 2.847 -11.752 1.00 0.34 H new ATOM 2143 N VAL B 55 7.288 7.759 -8.854 1.00 53.11 N ATOM 2144 CA VAL B 55 6.251 8.815 -8.665 1.00 41.30 C ATOM 2145 C VAL B 55 6.600 9.739 -7.482 1.00 63.02 C ATOM 2146 O VAL B 55 7.448 9.411 -6.640 1.00 24.52 O ATOM 2147 CB VAL B 55 4.797 8.246 -8.427 1.00 15.12 C ATOM 2148 CG1 VAL B 55 4.229 7.579 -9.695 1.00 61.21 C ATOM 2149 CG2 VAL B 55 4.767 7.281 -7.217 1.00 72.03 C ATOM 0 H VAL B 55 7.587 7.322 -7.982 1.00 53.11 H new ATOM 0 HA VAL B 55 6.250 9.370 -9.603 1.00 41.30 H new ATOM 0 HB VAL B 55 4.150 9.092 -8.194 1.00 15.12 H new ATOM 0 HG11 VAL B 55 3.228 7.201 -9.490 1.00 61.21 H new ATOM 0 HG12 VAL B 55 4.182 8.311 -10.501 1.00 61.21 H new ATOM 0 HG13 VAL B 55 4.875 6.753 -9.992 1.00 61.21 H new ATOM 0 HG21 VAL B 55 3.754 6.905 -7.077 1.00 72.03 H new ATOM 0 HG22 VAL B 55 5.442 6.445 -7.401 1.00 72.03 H new ATOM 0 HG23 VAL B 55 5.084 7.813 -6.320 1.00 72.03 H new ATOM 2159 N VAL B 56 5.922 10.905 -7.439 1.00 24.12 N ATOM 2160 CA VAL B 56 5.962 11.840 -6.295 1.00 60.12 C ATOM 2161 C VAL B 56 4.539 12.097 -5.745 1.00 75.32 C ATOM 2162 O VAL B 56 3.580 12.229 -6.511 1.00 51.15 O ATOM 2163 CB VAL B 56 6.673 13.206 -6.659 1.00 10.43 C ATOM 2164 CG1 VAL B 56 8.199 13.013 -6.842 1.00 55.23 C ATOM 2165 CG2 VAL B 56 6.043 13.858 -7.920 1.00 14.31 C ATOM 0 H VAL B 56 5.327 11.226 -8.203 1.00 24.12 H new ATOM 0 HA VAL B 56 6.559 11.364 -5.517 1.00 60.12 H new ATOM 0 HB VAL B 56 6.517 13.886 -5.821 1.00 10.43 H new ATOM 0 HG11 VAL B 56 8.659 13.969 -7.091 1.00 55.23 H new ATOM 0 HG12 VAL B 56 8.631 12.633 -5.916 1.00 55.23 H new ATOM 0 HG13 VAL B 56 8.382 12.301 -7.647 1.00 55.23 H new ATOM 0 HG21 VAL B 56 6.556 14.794 -8.140 1.00 14.31 H new ATOM 0 HG22 VAL B 56 6.143 13.181 -8.768 1.00 14.31 H new ATOM 0 HG23 VAL B 56 4.987 14.057 -7.738 1.00 14.31 H new ATOM 2175 N THR B 57 4.425 12.162 -4.402 1.00 4.23 N ATOM 2176 CA THR B 57 3.138 12.359 -3.693 1.00 15.34 C ATOM 2177 C THR B 57 2.990 13.816 -3.191 1.00 21.33 C ATOM 2178 O THR B 57 3.903 14.364 -2.565 1.00 41.32 O ATOM 2179 CB THR B 57 3.025 11.389 -2.463 1.00 52.42 C ATOM 2180 OG1 THR B 57 4.142 11.580 -1.566 1.00 10.54 O ATOM 2181 CG2 THR B 57 2.964 9.912 -2.894 1.00 71.15 C ATOM 0 H THR B 57 5.225 12.079 -3.774 1.00 4.23 H new ATOM 0 HA THR B 57 2.343 12.143 -4.407 1.00 15.34 H new ATOM 0 HB THR B 57 2.094 11.631 -1.951 1.00 52.42 H new ATOM 0 HG1 THR B 57 4.386 12.529 -1.545 1.00 10.54 H new ATOM 0 HG21 THR B 57 2.886 9.278 -2.011 1.00 71.15 H new ATOM 0 HG22 THR B 57 2.094 9.755 -3.531 1.00 71.15 H new ATOM 0 HG23 THR B 57 3.869 9.656 -3.446 1.00 71.15 H new ATOM 2189 N SER B 58 1.819 14.413 -3.443 1.00 33.03 N ATOM 2190 CA SER B 58 1.459 15.772 -2.972 1.00 22.11 C ATOM 2191 C SER B 58 -0.026 15.787 -2.569 1.00 72.34 C ATOM 2192 O SER B 58 -0.797 14.930 -3.007 1.00 4.32 O ATOM 2193 CB SER B 58 1.736 16.828 -4.074 1.00 64.41 C ATOM 2194 OG SER B 58 1.468 18.152 -3.620 1.00 62.21 O ATOM 0 H SER B 58 1.080 13.967 -3.986 1.00 33.03 H new ATOM 0 HA SER B 58 2.072 16.027 -2.108 1.00 22.11 H new ATOM 0 HB2 SER B 58 2.776 16.757 -4.392 1.00 64.41 H new ATOM 0 HB3 SER B 58 1.120 16.612 -4.947 1.00 64.41 H new ATOM 0 HG SER B 58 1.656 18.789 -4.341 1.00 62.21 H new ATOM 2200 N GLU B 59 -0.430 16.752 -1.734 1.00 23.44 N ATOM 2201 CA GLU B 59 -1.818 16.836 -1.233 1.00 71.23 C ATOM 2202 C GLU B 59 -2.539 18.048 -1.850 1.00 21.12 C ATOM 2203 O GLU B 59 -2.233 19.202 -1.533 1.00 35.14 O ATOM 2204 CB GLU B 59 -1.836 16.909 0.312 1.00 2.53 C ATOM 2205 CG GLU B 59 -3.242 16.788 0.930 1.00 44.32 C ATOM 2206 CD GLU B 59 -3.242 16.847 2.467 1.00 73.52 C ATOM 2207 OE1 GLU B 59 -2.795 15.867 3.108 1.00 12.31 O ATOM 2208 OE2 GLU B 59 -3.682 17.870 3.043 1.00 4.42 O ATOM 0 H GLU B 59 0.182 17.490 -1.387 1.00 23.44 H new ATOM 0 HA GLU B 59 -2.351 15.934 -1.534 1.00 71.23 H new ATOM 0 HB2 GLU B 59 -1.206 16.114 0.710 1.00 2.53 H new ATOM 0 HB3 GLU B 59 -1.393 17.854 0.626 1.00 2.53 H new ATOM 0 HG2 GLU B 59 -3.871 17.590 0.543 1.00 44.32 H new ATOM 0 HG3 GLU B 59 -3.692 15.848 0.610 1.00 44.32 H new ATOM 2215 N VAL B 60 -3.480 17.767 -2.759 1.00 20.21 N ATOM 2216 CA VAL B 60 -4.336 18.781 -3.390 1.00 44.22 C ATOM 2217 C VAL B 60 -5.764 18.650 -2.832 1.00 32.23 C ATOM 2218 O VAL B 60 -6.441 17.639 -3.064 1.00 61.21 O ATOM 2219 CB VAL B 60 -4.327 18.653 -4.965 1.00 72.42 C ATOM 2220 CG1 VAL B 60 -5.311 19.647 -5.640 1.00 13.02 C ATOM 2221 CG2 VAL B 60 -2.897 18.862 -5.516 1.00 64.23 C ATOM 0 H VAL B 60 -3.671 16.818 -3.081 1.00 20.21 H new ATOM 0 HA VAL B 60 -3.944 19.770 -3.154 1.00 44.22 H new ATOM 0 HB VAL B 60 -4.663 17.645 -5.207 1.00 72.42 H new ATOM 0 HG11 VAL B 60 -5.270 19.522 -6.722 1.00 13.02 H new ATOM 0 HG12 VAL B 60 -6.324 19.450 -5.290 1.00 13.02 H new ATOM 0 HG13 VAL B 60 -5.031 20.668 -5.382 1.00 13.02 H new ATOM 0 HG21 VAL B 60 -2.909 18.771 -6.602 1.00 64.23 H new ATOM 0 HG22 VAL B 60 -2.542 19.855 -5.239 1.00 64.23 H new ATOM 0 HG23 VAL B 60 -2.231 18.108 -5.096 1.00 64.23 H new ATOM 2231 N GLU B 61 -6.177 19.677 -2.054 1.00 3.25 N ATOM 2232 CA GLU B 61 -7.543 19.817 -1.480 1.00 35.01 C ATOM 2233 C GLU B 61 -7.892 18.649 -0.512 1.00 15.32 C ATOM 2234 O GLU B 61 -9.060 18.262 -0.375 1.00 15.15 O ATOM 2235 CB GLU B 61 -8.602 19.946 -2.627 1.00 31.12 C ATOM 2236 CG GLU B 61 -8.224 20.946 -3.743 1.00 73.35 C ATOM 2237 CD GLU B 61 -9.284 21.067 -4.846 1.00 63.43 C ATOM 2238 OE1 GLU B 61 -9.415 20.119 -5.655 1.00 63.22 O ATOM 2239 OE2 GLU B 61 -9.984 22.098 -4.917 1.00 61.23 O ATOM 0 H GLU B 61 -5.561 20.449 -1.800 1.00 3.25 H new ATOM 0 HA GLU B 61 -7.564 20.730 -0.885 1.00 35.01 H new ATOM 0 HB2 GLU B 61 -8.755 18.964 -3.074 1.00 31.12 H new ATOM 0 HB3 GLU B 61 -9.554 20.250 -2.192 1.00 31.12 H new ATOM 0 HG2 GLU B 61 -8.060 21.928 -3.299 1.00 73.35 H new ATOM 0 HG3 GLU B 61 -7.279 20.637 -4.191 1.00 73.35 H new ATOM 2246 N GLY B 62 -6.864 18.121 0.188 1.00 63.55 N ATOM 2247 CA GLY B 62 -7.015 16.938 1.062 1.00 52.34 C ATOM 2248 C GLY B 62 -6.766 15.598 0.348 1.00 31.52 C ATOM 2249 O GLY B 62 -6.380 14.610 0.983 1.00 75.35 O ATOM 0 H GLY B 62 -5.917 18.498 0.164 1.00 63.55 H new ATOM 0 HA2 GLY B 62 -6.322 17.026 1.899 1.00 52.34 H new ATOM 0 HA3 GLY B 62 -8.022 16.934 1.480 1.00 52.34 H new ATOM 2253 N GLU B 63 -6.988 15.569 -0.977 1.00 74.40 N ATOM 2254 CA GLU B 63 -6.850 14.347 -1.807 1.00 5.24 C ATOM 2255 C GLU B 63 -5.384 14.050 -2.206 1.00 22.42 C ATOM 2256 O GLU B 63 -4.546 14.959 -2.296 1.00 24.14 O ATOM 2257 CB GLU B 63 -7.736 14.475 -3.076 1.00 70.54 C ATOM 2258 CG GLU B 63 -9.252 14.621 -2.796 1.00 63.34 C ATOM 2259 CD GLU B 63 -9.862 13.386 -2.094 1.00 22.32 C ATOM 2260 OE1 GLU B 63 -10.182 12.391 -2.784 1.00 45.04 O ATOM 2261 OE2 GLU B 63 -10.019 13.402 -0.852 1.00 0.23 O ATOM 0 H GLU B 63 -7.269 16.392 -1.510 1.00 74.40 H new ATOM 0 HA GLU B 63 -7.184 13.506 -1.200 1.00 5.24 H new ATOM 0 HB2 GLU B 63 -7.402 15.339 -3.650 1.00 70.54 H new ATOM 0 HB3 GLU B 63 -7.579 13.597 -3.702 1.00 70.54 H new ATOM 0 HG2 GLU B 63 -9.417 15.502 -2.176 1.00 63.34 H new ATOM 0 HG3 GLU B 63 -9.774 14.791 -3.737 1.00 63.34 H new ATOM 2268 N ILE B 64 -5.101 12.757 -2.458 1.00 53.33 N ATOM 2269 CA ILE B 64 -3.780 12.280 -2.923 1.00 42.23 C ATOM 2270 C ILE B 64 -3.606 12.577 -4.433 1.00 11.42 C ATOM 2271 O ILE B 64 -4.331 12.031 -5.274 1.00 22.31 O ATOM 2272 CB ILE B 64 -3.600 10.726 -2.675 1.00 63.24 C ATOM 2273 CG1 ILE B 64 -3.811 10.364 -1.171 1.00 14.44 C ATOM 2274 CG2 ILE B 64 -2.213 10.224 -3.175 1.00 72.43 C ATOM 2275 CD1 ILE B 64 -3.725 8.869 -0.852 1.00 32.25 C ATOM 0 H ILE B 64 -5.785 12.009 -2.345 1.00 53.33 H new ATOM 0 HA ILE B 64 -3.021 12.812 -2.349 1.00 42.23 H new ATOM 0 HB ILE B 64 -4.368 10.215 -3.256 1.00 63.24 H new ATOM 0 HG12 ILE B 64 -3.065 10.891 -0.577 1.00 14.44 H new ATOM 0 HG13 ILE B 64 -4.787 10.733 -0.857 1.00 14.44 H new ATOM 0 HG21 ILE B 64 -2.125 9.154 -2.989 1.00 72.43 H new ATOM 0 HG22 ILE B 64 -2.121 10.415 -4.244 1.00 72.43 H new ATOM 0 HG23 ILE B 64 -1.422 10.752 -2.643 1.00 72.43 H new ATOM 0 HD11 ILE B 64 -3.884 8.715 0.215 1.00 32.25 H new ATOM 0 HD12 ILE B 64 -4.489 8.332 -1.414 1.00 32.25 H new ATOM 0 HD13 ILE B 64 -2.740 8.494 -1.130 1.00 32.25 H new ATOM 2287 N PHE B 65 -2.644 13.448 -4.751 1.00 31.34 N ATOM 2288 CA PHE B 65 -2.254 13.780 -6.133 1.00 22.21 C ATOM 2289 C PHE B 65 -0.835 13.238 -6.398 1.00 35.13 C ATOM 2290 O PHE B 65 0.115 13.594 -5.693 1.00 60.12 O ATOM 2291 CB PHE B 65 -2.298 15.315 -6.346 1.00 3.53 C ATOM 2292 CG PHE B 65 -1.908 15.762 -7.756 1.00 24.22 C ATOM 2293 CD1 PHE B 65 -2.825 15.688 -8.806 1.00 13.13 C ATOM 2294 CD2 PHE B 65 -0.622 16.238 -8.035 1.00 30.04 C ATOM 2295 CE1 PHE B 65 -2.471 16.074 -10.080 1.00 34.20 C ATOM 2296 CE2 PHE B 65 -0.269 16.619 -9.314 1.00 22.20 C ATOM 2297 CZ PHE B 65 -1.193 16.540 -10.333 1.00 23.12 C ATOM 0 H PHE B 65 -2.103 13.952 -4.048 1.00 31.34 H new ATOM 0 HA PHE B 65 -2.952 13.320 -6.832 1.00 22.21 H new ATOM 0 HB2 PHE B 65 -3.305 15.672 -6.129 1.00 3.53 H new ATOM 0 HB3 PHE B 65 -1.629 15.790 -5.628 1.00 3.53 H new ATOM 0 HD1 PHE B 65 -3.824 15.324 -8.617 1.00 13.13 H new ATOM 0 HD2 PHE B 65 0.104 16.308 -7.239 1.00 30.04 H new ATOM 0 HE1 PHE B 65 -3.192 16.013 -10.882 1.00 34.20 H new ATOM 0 HE2 PHE B 65 0.729 16.978 -9.515 1.00 22.20 H new ATOM 0 HZ PHE B 65 -0.919 16.843 -11.333 1.00 23.12 H new ATOM 2307 N VAL B 66 -0.697 12.380 -7.418 1.00 74.32 N ATOM 2308 CA VAL B 66 0.592 11.746 -7.777 1.00 32.25 C ATOM 2309 C VAL B 66 0.915 11.931 -9.272 1.00 24.35 C ATOM 2310 O VAL B 66 0.011 12.097 -10.102 1.00 51.44 O ATOM 2311 CB VAL B 66 0.608 10.211 -7.413 1.00 61.45 C ATOM 2312 CG1 VAL B 66 0.619 10.005 -5.881 1.00 35.13 C ATOM 2313 CG2 VAL B 66 -0.587 9.469 -8.067 1.00 40.04 C ATOM 0 H VAL B 66 -1.471 12.102 -8.021 1.00 74.32 H new ATOM 0 HA VAL B 66 1.361 12.248 -7.190 1.00 32.25 H new ATOM 0 HB VAL B 66 1.526 9.782 -7.815 1.00 61.45 H new ATOM 0 HG11 VAL B 66 0.630 8.938 -5.657 1.00 35.13 H new ATOM 0 HG12 VAL B 66 1.507 10.474 -5.457 1.00 35.13 H new ATOM 0 HG13 VAL B 66 -0.272 10.458 -5.447 1.00 35.13 H new ATOM 0 HG21 VAL B 66 -0.550 8.413 -7.799 1.00 40.04 H new ATOM 0 HG22 VAL B 66 -1.522 9.901 -7.712 1.00 40.04 H new ATOM 0 HG23 VAL B 66 -0.529 9.570 -9.151 1.00 40.04 H new ATOM 2323 N LYS B 67 2.222 11.900 -9.602 1.00 31.33 N ATOM 2324 CA LYS B 67 2.698 11.976 -11.007 1.00 63.31 C ATOM 2325 C LYS B 67 4.072 11.307 -11.142 1.00 62.12 C ATOM 2326 O LYS B 67 4.831 11.266 -10.168 1.00 11.35 O ATOM 2327 CB LYS B 67 2.758 13.449 -11.499 1.00 51.01 C ATOM 2328 CG LYS B 67 3.830 14.320 -10.821 1.00 2.22 C ATOM 2329 CD LYS B 67 3.775 15.796 -11.267 1.00 3.24 C ATOM 2330 CE LYS B 67 4.968 16.604 -10.736 1.00 74.30 C ATOM 2331 NZ LYS B 67 6.260 16.160 -11.336 1.00 54.11 N ATOM 0 H LYS B 67 2.972 11.823 -8.915 1.00 31.33 H new ATOM 0 HA LYS B 67 1.986 11.441 -11.635 1.00 63.31 H new ATOM 0 HB2 LYS B 67 2.938 13.450 -12.574 1.00 51.01 H new ATOM 0 HB3 LYS B 67 1.783 13.909 -11.339 1.00 51.01 H new ATOM 0 HG2 LYS B 67 3.703 14.268 -9.740 1.00 2.22 H new ATOM 0 HG3 LYS B 67 4.816 13.914 -11.046 1.00 2.22 H new ATOM 0 HD2 LYS B 67 3.760 15.845 -12.356 1.00 3.24 H new ATOM 0 HD3 LYS B 67 2.847 16.246 -10.915 1.00 3.24 H new ATOM 0 HE2 LYS B 67 4.813 17.661 -10.951 1.00 74.30 H new ATOM 0 HE3 LYS B 67 5.019 16.504 -9.652 1.00 74.30 H new ATOM 0 HZ1 LYS B 67 6.999 16.861 -11.126 1.00 54.11 H new ATOM 0 HZ2 LYS B 67 6.531 15.240 -10.934 1.00 54.11 H new ATOM 0 HZ3 LYS B 67 6.151 16.070 -12.366 1.00 54.11 H new ATOM 2345 N LEU B 68 4.392 10.799 -12.347 1.00 75.13 N ATOM 2346 CA LEU B 68 5.680 10.125 -12.602 1.00 31.33 C ATOM 2347 C LEU B 68 6.876 11.092 -12.430 1.00 22.33 C ATOM 2348 O LEU B 68 6.774 12.293 -12.728 1.00 13.02 O ATOM 2349 CB LEU B 68 5.730 9.506 -14.025 1.00 51.43 C ATOM 2350 CG LEU B 68 4.605 8.494 -14.404 1.00 43.00 C ATOM 2351 CD1 LEU B 68 4.885 7.855 -15.777 1.00 21.00 C ATOM 2352 CD2 LEU B 68 4.399 7.412 -13.321 1.00 11.25 C ATOM 0 H LEU B 68 3.777 10.842 -13.159 1.00 75.13 H new ATOM 0 HA LEU B 68 5.759 9.328 -11.863 1.00 31.33 H new ATOM 0 HB2 LEU B 68 5.709 10.321 -14.748 1.00 51.43 H new ATOM 0 HB3 LEU B 68 6.690 9.002 -14.140 1.00 51.43 H new ATOM 0 HG LEU B 68 3.675 9.058 -14.468 1.00 43.00 H new ATOM 0 HD11 LEU B 68 4.088 7.153 -16.021 1.00 21.00 H new ATOM 0 HD12 LEU B 68 4.928 8.634 -16.539 1.00 21.00 H new ATOM 0 HD13 LEU B 68 5.837 7.326 -15.745 1.00 21.00 H new ATOM 0 HD21 LEU B 68 3.606 6.732 -13.632 1.00 11.25 H new ATOM 0 HD22 LEU B 68 5.324 6.852 -13.186 1.00 11.25 H new ATOM 0 HD23 LEU B 68 4.122 7.887 -12.380 1.00 11.25 H new ATOM 2364 N VAL B 69 8.001 10.554 -11.937 1.00 44.32 N ATOM 2365 CA VAL B 69 9.279 11.283 -11.889 1.00 75.53 C ATOM 2366 C VAL B 69 9.885 11.324 -13.307 1.00 33.51 C ATOM 2367 O VAL B 69 10.635 10.433 -13.715 1.00 33.01 O ATOM 2368 CB VAL B 69 10.291 10.644 -10.859 1.00 70.33 C ATOM 2369 CG1 VAL B 69 11.670 11.369 -10.868 1.00 31.03 C ATOM 2370 CG2 VAL B 69 9.688 10.630 -9.434 1.00 45.14 C ATOM 0 H VAL B 69 8.052 9.607 -11.562 1.00 44.32 H new ATOM 0 HA VAL B 69 9.087 12.298 -11.541 1.00 75.53 H new ATOM 0 HB VAL B 69 10.465 9.615 -11.173 1.00 70.33 H new ATOM 0 HG11 VAL B 69 12.334 10.896 -10.145 1.00 31.03 H new ATOM 0 HG12 VAL B 69 12.110 11.302 -11.863 1.00 31.03 H new ATOM 0 HG13 VAL B 69 11.532 12.417 -10.603 1.00 31.03 H new ATOM 0 HG21 VAL B 69 10.402 10.186 -8.741 1.00 45.14 H new ATOM 0 HG22 VAL B 69 9.467 11.651 -9.122 1.00 45.14 H new ATOM 0 HG23 VAL B 69 8.769 10.044 -9.433 1.00 45.14 H new ATOM 2380 N LEU B 70 9.490 12.349 -14.071 1.00 20.25 N ATOM 2381 CA LEU B 70 9.993 12.598 -15.441 1.00 54.31 C ATOM 2382 C LEU B 70 11.188 13.581 -15.391 1.00 52.44 C ATOM 2383 O LEU B 70 11.311 14.476 -16.234 1.00 52.50 O ATOM 2384 CB LEU B 70 8.822 13.149 -16.307 1.00 24.13 C ATOM 2385 CG LEU B 70 7.532 12.260 -16.366 1.00 73.42 C ATOM 2386 CD1 LEU B 70 6.410 12.935 -17.190 1.00 51.52 C ATOM 2387 CD2 LEU B 70 7.844 10.837 -16.897 1.00 54.44 C ATOM 0 H LEU B 70 8.806 13.039 -13.760 1.00 20.25 H new ATOM 0 HA LEU B 70 10.353 11.674 -15.893 1.00 54.31 H new ATOM 0 HB2 LEU B 70 8.545 14.131 -15.925 1.00 24.13 H new ATOM 0 HB3 LEU B 70 9.186 13.294 -17.324 1.00 24.13 H new ATOM 0 HG LEU B 70 7.167 12.156 -15.344 1.00 73.42 H new ATOM 0 HD11 LEU B 70 5.533 12.289 -17.208 1.00 51.52 H new ATOM 0 HD12 LEU B 70 6.148 13.890 -16.734 1.00 51.52 H new ATOM 0 HD13 LEU B 70 6.758 13.103 -18.209 1.00 51.52 H new ATOM 0 HD21 LEU B 70 6.926 10.249 -16.924 1.00 54.44 H new ATOM 0 HD22 LEU B 70 8.260 10.907 -17.902 1.00 54.44 H new ATOM 0 HD23 LEU B 70 8.565 10.353 -16.239 1.00 54.44 H new ATOM 2399 N GLU B 71 12.079 13.341 -14.401 1.00 61.11 N ATOM 2400 CA GLU B 71 13.195 14.230 -13.992 1.00 11.40 C ATOM 2401 C GLU B 71 12.707 15.604 -13.454 1.00 50.02 C ATOM 2402 O GLU B 71 12.883 15.895 -12.271 1.00 62.04 O ATOM 2403 CB GLU B 71 14.260 14.423 -15.108 1.00 24.42 C ATOM 2404 CG GLU B 71 15.470 15.275 -14.659 1.00 52.45 C ATOM 2405 CD GLU B 71 16.548 15.450 -15.733 1.00 62.34 C ATOM 2406 OE1 GLU B 71 16.306 16.182 -16.713 1.00 12.34 O ATOM 2407 OE2 GLU B 71 17.654 14.884 -15.590 1.00 21.23 O ATOM 0 H GLU B 71 12.040 12.489 -13.842 1.00 61.11 H new ATOM 0 HA GLU B 71 13.680 13.708 -13.167 1.00 11.40 H new ATOM 0 HB2 GLU B 71 14.614 13.446 -15.435 1.00 24.42 H new ATOM 0 HB3 GLU B 71 13.791 14.897 -15.970 1.00 24.42 H new ATOM 0 HG2 GLU B 71 15.114 16.259 -14.354 1.00 52.45 H new ATOM 0 HG3 GLU B 71 15.920 14.812 -13.781 1.00 52.45 H new ATOM 2414 N HIS B 72 12.104 16.427 -14.346 1.00 1.52 N ATOM 2415 CA HIS B 72 11.638 17.809 -14.041 1.00 4.34 C ATOM 2416 C HIS B 72 10.785 17.889 -12.735 1.00 54.21 C ATOM 2417 O HIS B 72 9.676 17.345 -12.681 1.00 52.55 O ATOM 2418 CB HIS B 72 10.806 18.352 -15.234 1.00 41.20 C ATOM 2419 CG HIS B 72 11.536 18.382 -16.551 1.00 2.54 C ATOM 2420 ND1 HIS B 72 12.236 19.477 -17.000 1.00 54.03 N ATOM 2421 CD2 HIS B 72 11.657 17.445 -17.526 1.00 2.53 C ATOM 2422 CE1 HIS B 72 12.749 19.217 -18.184 1.00 4.30 C ATOM 2423 NE2 HIS B 72 12.414 17.993 -18.526 1.00 63.14 N ATOM 0 H HIS B 72 11.924 16.150 -15.311 1.00 1.52 H new ATOM 0 HA HIS B 72 12.528 18.418 -13.883 1.00 4.34 H new ATOM 0 HB2 HIS B 72 9.912 17.739 -15.344 1.00 41.20 H new ATOM 0 HB3 HIS B 72 10.472 19.362 -14.996 1.00 41.20 H new ATOM 0 HD2 HIS B 72 11.234 16.451 -17.515 1.00 2.53 H new ATOM 0 HE1 HIS B 72 13.345 19.896 -18.775 1.00 4.30 H new ATOM 0 HE2 HIS B 72 12.676 17.527 -19.395 1.00 63.14 H new ATOM 2432 N HIS B 73 11.331 18.551 -11.687 1.00 63.42 N ATOM 2433 CA HIS B 73 10.634 18.718 -10.385 1.00 74.13 C ATOM 2434 C HIS B 73 11.187 19.925 -9.590 1.00 60.14 C ATOM 2435 O HIS B 73 12.298 20.400 -9.837 1.00 15.02 O ATOM 2436 CB HIS B 73 10.756 17.426 -9.518 1.00 10.11 C ATOM 2437 CG HIS B 73 12.114 17.204 -8.876 1.00 12.54 C ATOM 2438 ND1 HIS B 73 12.348 17.395 -7.528 1.00 23.44 N ATOM 2439 CD2 HIS B 73 13.311 16.831 -9.398 1.00 54.43 C ATOM 2440 CE1 HIS B 73 13.614 17.148 -7.256 1.00 12.32 C ATOM 2441 NE2 HIS B 73 14.217 16.808 -8.369 1.00 41.41 N ATOM 0 H HIS B 73 12.256 18.980 -11.717 1.00 63.42 H new ATOM 0 HA HIS B 73 9.584 18.904 -10.609 1.00 74.13 H new ATOM 0 HB2 HIS B 73 10.002 17.463 -8.732 1.00 10.11 H new ATOM 0 HB3 HIS B 73 10.522 16.564 -10.144 1.00 10.11 H new ATOM 0 HD1 HIS B 73 11.647 17.684 -6.846 1.00 23.44 H new ATOM 0 HD2 HIS B 73 13.512 16.596 -10.433 1.00 54.43 H new ATOM 0 HE1 HIS B 73 14.076 17.214 -6.282 1.00 12.32 H new ATOM 2450 N HIS B 74 10.375 20.406 -8.636 1.00 41.04 N ATOM 2451 CA HIS B 74 10.818 21.304 -7.544 1.00 1.11 C ATOM 2452 C HIS B 74 10.785 20.533 -6.197 1.00 25.53 C ATOM 2453 O HIS B 74 10.585 19.310 -6.184 1.00 1.42 O ATOM 2454 CB HIS B 74 9.922 22.569 -7.492 1.00 35.41 C ATOM 2455 CG HIS B 74 10.067 23.483 -8.682 1.00 3.33 C ATOM 2456 ND1 HIS B 74 10.876 24.601 -8.676 1.00 64.13 N ATOM 2457 CD2 HIS B 74 9.507 23.442 -9.915 1.00 15.22 C ATOM 2458 CE1 HIS B 74 10.803 25.204 -9.843 1.00 4.15 C ATOM 2459 NE2 HIS B 74 9.984 24.523 -10.613 1.00 41.24 N ATOM 0 H HIS B 74 9.380 20.183 -8.596 1.00 41.04 H new ATOM 0 HA HIS B 74 11.841 21.631 -7.731 1.00 1.11 H new ATOM 0 HB2 HIS B 74 8.880 22.259 -7.412 1.00 35.41 H new ATOM 0 HB3 HIS B 74 10.158 23.130 -6.587 1.00 35.41 H new ATOM 0 HD2 HIS B 74 8.815 22.698 -10.280 1.00 15.22 H new ATOM 0 HE1 HIS B 74 11.327 26.106 -10.121 1.00 4.15 H new ATOM 0 HE2 HIS B 74 9.742 24.760 -11.575 1.00 41.24 H new ATOM 2468 N HIS B 75 11.001 21.242 -5.067 1.00 15.33 N ATOM 2469 CA HIS B 75 10.927 20.627 -3.718 1.00 21.53 C ATOM 2470 C HIS B 75 9.463 20.257 -3.352 1.00 63.24 C ATOM 2471 O HIS B 75 9.091 19.075 -3.409 1.00 11.24 O ATOM 2472 CB HIS B 75 11.556 21.554 -2.645 1.00 62.12 C ATOM 2473 CG HIS B 75 13.051 21.699 -2.749 1.00 3.13 C ATOM 2474 ND1 HIS B 75 13.680 22.865 -3.128 1.00 13.33 N ATOM 2475 CD2 HIS B 75 14.047 20.813 -2.490 1.00 52.15 C ATOM 2476 CE1 HIS B 75 14.986 22.694 -3.099 1.00 5.50 C ATOM 2477 NE2 HIS B 75 15.236 21.460 -2.716 1.00 52.14 N ATOM 0 H HIS B 75 11.227 22.237 -5.059 1.00 15.33 H new ATOM 0 HA HIS B 75 11.507 19.705 -3.740 1.00 21.53 H new ATOM 0 HB2 HIS B 75 11.101 22.541 -2.723 1.00 62.12 H new ATOM 0 HB3 HIS B 75 11.308 21.166 -1.657 1.00 62.12 H new ATOM 0 HD2 HIS B 75 13.926 19.790 -2.166 1.00 52.15 H new ATOM 0 HE1 HIS B 75 15.726 23.440 -3.347 1.00 5.50 H new ATOM 0 HE2 HIS B 75 16.164 21.051 -2.605 1.00 52.14 H new ATOM 2486 N HIS B 76 8.632 21.270 -3.010 1.00 63.13 N ATOM 2487 CA HIS B 76 7.217 21.045 -2.620 1.00 22.03 C ATOM 2488 C HIS B 76 6.433 22.382 -2.552 1.00 3.14 C ATOM 2489 O HIS B 76 6.936 23.373 -2.016 1.00 22.12 O ATOM 2490 CB HIS B 76 7.137 20.296 -1.253 1.00 5.05 C ATOM 2491 CG HIS B 76 5.790 19.686 -0.958 1.00 54.54 C ATOM 2492 ND1 HIS B 76 5.395 18.463 -1.470 1.00 42.30 N ATOM 2493 CD2 HIS B 76 4.743 20.128 -0.216 1.00 1.30 C ATOM 2494 CE1 HIS B 76 4.175 18.188 -1.063 1.00 74.52 C ATOM 2495 NE2 HIS B 76 3.759 19.176 -0.300 1.00 71.14 N ATOM 0 H HIS B 76 8.915 22.250 -2.996 1.00 63.13 H new ATOM 0 HA HIS B 76 6.755 20.423 -3.386 1.00 22.03 H new ATOM 0 HB2 HIS B 76 7.890 19.508 -1.239 1.00 5.05 H new ATOM 0 HB3 HIS B 76 7.390 20.993 -0.454 1.00 5.05 H new ATOM 0 HD2 HIS B 76 4.694 21.055 0.336 1.00 1.30 H new ATOM 0 HE1 HIS B 76 3.610 17.302 -1.313 1.00 74.52 H new ATOM 0 HE2 HIS B 76 2.848 19.226 0.157 1.00 71.14 H new ATOM 2504 N HIS B 77 5.207 22.397 -3.118 1.00 54.33 N ATOM 2505 CA HIS B 77 4.254 23.539 -3.003 1.00 54.11 C ATOM 2506 C HIS B 77 3.005 23.125 -2.198 1.00 71.55 C ATOM 2507 O HIS B 77 2.522 21.988 -2.306 1.00 5.44 O ATOM 2508 CB HIS B 77 3.861 24.091 -4.408 1.00 51.42 C ATOM 2509 CG HIS B 77 3.267 23.073 -5.357 1.00 41.41 C ATOM 2510 ND1 HIS B 77 2.002 22.544 -5.209 1.00 24.21 N ATOM 2511 CD2 HIS B 77 3.781 22.477 -6.464 1.00 11.41 C ATOM 2512 CE1 HIS B 77 1.769 21.677 -6.171 1.00 33.43 C ATOM 2513 NE2 HIS B 77 2.828 21.617 -6.948 1.00 53.23 N ATOM 0 H HIS B 77 4.843 21.620 -3.670 1.00 54.33 H new ATOM 0 HA HIS B 77 4.754 24.343 -2.464 1.00 54.11 H new ATOM 0 HB2 HIS B 77 3.144 24.901 -4.275 1.00 51.42 H new ATOM 0 HB3 HIS B 77 4.748 24.523 -4.872 1.00 51.42 H new ATOM 0 HD2 HIS B 77 4.760 22.649 -6.886 1.00 11.41 H new ATOM 0 HE1 HIS B 77 0.859 21.109 -6.301 1.00 33.43 H new ATOM 0 HE2 HIS B 77 2.925 21.028 -7.775 1.00 53.23 H new TER 2522 HIS B 77