USER MOD reduce.3.24.130724 H: found=0, std=0, add=1428, rem=0, adj=51 USER MOD reduce.3.24.130724 removed 1426 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 5 TYR OH : rot 23:sc= 0.135 USER MOD Set 1.2: B 200 GLN : amide:sc= -0.0941 K(o=0.041,f=-3.3!) USER MOD Set 2.1: B 121 ASN : amide:sc= 1.27 K(o=2.5,f=-4.2) USER MOD Set 2.2: B 144 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 2.3: B 182 TYR OH : rot -105:sc= 1.21 USER MOD Set 3.1: B 156 THR OG1 : rot -171:sc= 0.759 USER MOD Set 3.2: B 160 LYS NZ :NH3+ -161:sc= 0.848 (180deg=-0.0331) USER MOD Set 4.1: B 152 MET CE :methyl 160:sc= -0.221 (180deg=-0.738) USER MOD Set 4.2: B 190 THR OG1 : rot 75:sc= 1.13 USER MOD Set 5.1: B 147 LYS NZ :NH3+ 161:sc= 1.43 (180deg=0.386!) USER MOD Set 5.2: B 150 ASN : amide:sc= 0.801 K(o=2.9,f=0.76) USER MOD Set 5.3: B 151 HIS : no HE2:sc= 0.627 K(o=2.9,f=-1.2) USER MOD Set 6.1: B 138 LYS NZ :NH3+ -166:sc= 2.24 (180deg=1.43) USER MOD Set 6.2: B 167 GLN : amide:sc= 0.771 K(o=3,f=-3.2) USER MOD Set 7.1: A 97 GLN : amide:sc= -0.197 K(o=-0.17,f=-2.5!) USER MOD Set 7.2: B 108 TYR OH : rot -158:sc= 0.0305 USER MOD Set 8.1: A 35 LYS NZ :NH3+ -134:sc= 2.49 (180deg=-0.958!) USER MOD Set 8.2: A 64 GLN : amide:sc= 0.838 K(o=3.3,f=-7!) USER MOD Set 9.1: A 53 THR OG1 : rot 180:sc= 0.14 USER MOD Set 9.2: A 57 LYS NZ :NH3+ 168:sc= 0.448 (180deg=0.368) USER MOD Set10.1: A 44 LYS NZ :NH3+ -138:sc= 0.6 (180deg=-1.11!) USER MOD Set10.2: A 47 ASN : amide:sc= 1.18 K(o=2.7,f=-6.5!) USER MOD Set10.3: A 48 HIS : no HE2:sc= 0.883 K(o=2.7,f=-8.4!) USER MOD Set11.1: A 18 ASN : amide:sc= -0.865 K(o=-0.65,f=-2.4!) USER MOD Set11.2: A 41 MET CE :methyl -153:sc= -0.0717 (180deg=-0.0191) USER MOD Set11.3: A 79 TYR OH : rot -119:sc= 0.29 USER MOD Set12.1: A 21 LYS NZ :NH3+ 164:sc= 0.744 (180deg=-1.52!) USER MOD Set12.2: B 198 HIS : no HE2:sc= 1.46 K(o=2.2,f=-8.5!) USER MOD Single : A 6 THR OG1 : rot -88:sc= 1.12 USER MOD Single : A 10 LYS NZ :NH3+ -155:sc= 1.11 (180deg=0.316) USER MOD Single : A 20 TYR OH : rot -48:sc= 1.02 USER MOD Single : A 22 TYR OH : rot 130:sc= 0 USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot 3:sc= 1.27 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 43 GLN : amide:sc= -0.466 K(o=-0.47,f=-7.6!) USER MOD Single : A 49 MET CE :methyl 146:sc= -0.121 (180deg=-0.988) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 55 ASN : amide:sc= 0.178 K(o=0.18,f=-4.8!) USER MOD Single : A 61 LYS NZ :NH3+ -129:sc= 0 (180deg=-1.51) USER MOD Single : A 65 ASN : amide:sc= 0 X(o=0,f=-0.48) USER MOD Single : A 69 ASN : amide:sc= -0.279 K(o=-0.28,f=-1.6) USER MOD Single : A 70 HIS : no HD1:sc= 0 X(o=0,f=-0.0031) USER MOD Single : A 75 SER OG : rot 74:sc= 0.227 USER MOD Single : A 81 THR OG1 : rot 45:sc= 1.23 USER MOD Single : A 87 THR OG1 : rot 77:sc= 1.07 USER MOD Single : A 92 LYS NZ :NH3+ 173:sc= -0.0884! (180deg=-0.353!) USER MOD Single : A 95 HIS : no HE2:sc= 0.997 K(o=1,f=-3!) USER MOD Single : A 99 GLN : amide:sc= 0.715 K(o=0.72,f=0) USER MOD Single : A 100 GLN : amide:sc= -0.369 X(o=-0.37,f=0) USER MOD Single : A 101 SER OG : rot -46:sc= 0.769 USER MOD Single : B 109 THR OG1 : rot -74:sc= 1.24 USER MOD Single : B 113 LYS NZ :NH3+ -167:sc= 0.828 (180deg=0.542) USER MOD Single : B 123 TYR OH : rot -52:sc= 0.243 USER MOD Single : B 124 LYS NZ :NH3+ -115:sc= -0.182 (180deg=-1.06!) USER MOD Single : B 125 TYR OH : rot 30:sc= 0.0153 USER MOD Single : B 127 SER OG : rot 89:sc= 0.0281 USER MOD Single : B 137 SER OG : rot 180:sc= 0 USER MOD Single : B 139 SER OG : rot 180:sc= 0 USER MOD Single : B 140 SER OG : rot 180:sc= 0 USER MOD Single : B 146 GLN : amide:sc= -0.292 K(o=-0.29,f=-13!) USER MOD Single : B 154 SER OG : rot 180:sc= 0 USER MOD Single : B 158 ASN : amide:sc= 0.62 K(o=0.62,f=-3.3!) USER MOD Single : B 164 LYS NZ :NH3+ -131:sc= 0 (180deg=-1.63) USER MOD Single : B 168 ASN : amide:sc= 0 X(o=0,f=-0.18) USER MOD Single : B 172 ASN : amide:sc= -0.224 K(o=-0.22,f=-2!) USER MOD Single : B 173 HIS : no HD1:sc= 0 X(o=0,f=-0.0093) USER MOD Single : B 178 SER OG : rot 79:sc= 1.08 USER MOD Single : B 184 THR OG1 : rot 180:sc= 0 USER MOD Single : B 195 LYS NZ :NH3+ 152:sc= 0.28 (180deg=-0.711!) USER MOD Single : B 202 GLN : amide:sc= 0.798 K(o=0.8,f=0) USER MOD Single : B 203 GLN : amide:sc= 0.29 X(o=0.29,f=0) USER MOD Single : B 204 SER OG : rot -34:sc= 0.794 USER MOD ----------------------------------------------------------------- ATOM 37 N TYR A 5 -1.226 3.838 17.108 1.00 1.33 N ATOM 38 CA TYR A 5 -0.734 4.158 15.755 1.00 1.11 C ATOM 39 C TYR A 5 -1.564 5.316 15.155 1.00 1.18 C ATOM 40 O TYR A 5 -2.797 5.300 15.231 1.00 1.70 O ATOM 41 CB TYR A 5 -0.673 2.961 14.780 1.00 1.00 C ATOM 42 CG TYR A 5 0.410 1.924 15.033 1.00 1.02 C ATOM 43 CD1 TYR A 5 1.711 2.175 14.568 1.00 1.90 C ATOM 44 CD2 TYR A 5 0.127 0.683 15.635 1.00 2.15 C ATOM 45 CE1 TYR A 5 2.732 1.226 14.727 1.00 2.01 C ATOM 46 CE2 TYR A 5 1.155 -0.263 15.834 1.00 2.16 C ATOM 47 CZ TYR A 5 2.469 0.013 15.392 1.00 1.19 C ATOM 48 OH TYR A 5 3.490 -0.863 15.595 1.00 1.34 O ATOM 0 HA TYR A 5 0.305 4.461 15.882 1.00 1.11 H new ATOM 0 HB2 TYR A 5 -1.639 2.456 14.802 1.00 1.00 H new ATOM 0 HB3 TYR A 5 -0.540 3.351 13.771 1.00 1.00 H new ATOM 0 HD1 TYR A 5 1.929 3.114 14.080 1.00 1.90 H new ATOM 0 HD2 TYR A 5 -0.882 0.454 15.946 1.00 2.15 H new ATOM 0 HE1 TYR A 5 3.720 1.426 14.339 1.00 2.01 H new ATOM 0 HE2 TYR A 5 0.937 -1.200 16.325 1.00 2.16 H new ATOM 0 HH TYR A 5 4.343 -0.382 15.570 1.00 1.34 H new ATOM 58 N THR A 6 -0.894 6.284 14.514 1.00 1.05 N ATOM 59 CA THR A 6 -1.523 7.391 13.764 1.00 1.26 C ATOM 60 C THR A 6 -2.290 6.856 12.560 1.00 0.96 C ATOM 61 O THR A 6 -2.069 5.718 12.161 1.00 0.74 O ATOM 62 CB THR A 6 -0.476 8.402 13.288 1.00 1.56 C ATOM 63 OG1 THR A 6 0.408 7.760 12.405 1.00 1.51 O ATOM 64 CG2 THR A 6 0.327 9.013 14.431 1.00 1.96 C ATOM 0 H THR A 6 0.125 6.324 14.500 1.00 1.05 H new ATOM 0 HA THR A 6 -2.215 7.893 14.441 1.00 1.26 H new ATOM 0 HB THR A 6 -1.012 9.215 12.798 1.00 1.56 H new ATOM 0 HG1 THR A 6 1.140 7.353 12.914 1.00 1.51 H new ATOM 0 HG21 THR A 6 1.052 9.721 14.029 1.00 1.96 H new ATOM 0 HG22 THR A 6 -0.347 9.532 15.113 1.00 1.96 H new ATOM 0 HG23 THR A 6 0.851 8.224 14.970 1.00 1.96 H new ATOM 72 N GLU A 7 -3.151 7.646 11.912 1.00 1.02 N ATOM 73 CA GLU A 7 -3.968 7.109 10.814 1.00 0.92 C ATOM 74 C GLU A 7 -3.141 6.660 9.595 1.00 0.87 C ATOM 75 O GLU A 7 -3.572 5.780 8.848 1.00 0.76 O ATOM 76 CB GLU A 7 -5.093 8.076 10.432 1.00 1.02 C ATOM 77 CG GLU A 7 -4.751 9.042 9.298 1.00 1.03 C ATOM 78 CD GLU A 7 -5.825 10.113 9.218 1.00 1.53 C ATOM 79 OE1 GLU A 7 -6.993 9.716 9.005 1.00 2.29 O ATOM 80 OE2 GLU A 7 -5.470 11.294 9.425 1.00 2.42 O ATOM 0 H GLU A 7 -3.301 8.634 12.119 1.00 1.02 H new ATOM 0 HA GLU A 7 -4.431 6.198 11.194 1.00 0.92 H new ATOM 0 HB2 GLU A 7 -5.970 7.496 10.144 1.00 1.02 H new ATOM 0 HB3 GLU A 7 -5.370 8.655 11.313 1.00 1.02 H new ATOM 0 HG2 GLU A 7 -3.777 9.498 9.474 1.00 1.03 H new ATOM 0 HG3 GLU A 7 -4.685 8.504 8.352 1.00 1.03 H new ATOM 87 N LEU A 8 -1.936 7.217 9.405 1.00 0.97 N ATOM 88 CA LEU A 8 -1.058 6.885 8.279 1.00 1.00 C ATOM 89 C LEU A 8 -0.487 5.481 8.460 1.00 0.86 C ATOM 90 O LEU A 8 -0.671 4.591 7.627 1.00 0.87 O ATOM 91 CB LEU A 8 0.016 7.989 8.155 1.00 1.13 C ATOM 92 CG LEU A 8 0.917 7.929 6.903 1.00 1.25 C ATOM 93 CD1 LEU A 8 1.955 6.804 6.933 1.00 1.10 C ATOM 94 CD2 LEU A 8 0.097 7.751 5.633 1.00 1.55 C ATOM 0 H LEU A 8 -1.542 7.916 10.035 1.00 0.97 H new ATOM 0 HA LEU A 8 -1.607 6.860 7.338 1.00 1.00 H new ATOM 0 HB2 LEU A 8 -0.485 8.957 8.170 1.00 1.13 H new ATOM 0 HB3 LEU A 8 0.654 7.947 9.038 1.00 1.13 H new ATOM 0 HG LEU A 8 1.440 8.885 6.907 1.00 1.25 H new ATOM 0 HD11 LEU A 8 2.547 6.831 6.018 1.00 1.10 H new ATOM 0 HD12 LEU A 8 2.611 6.937 7.794 1.00 1.10 H new ATOM 0 HD13 LEU A 8 1.447 5.842 7.009 1.00 1.10 H new ATOM 0 HD21 LEU A 8 0.764 7.713 4.772 1.00 1.55 H new ATOM 0 HD22 LEU A 8 -0.471 6.823 5.694 1.00 1.55 H new ATOM 0 HD23 LEU A 8 -0.590 8.590 5.523 1.00 1.55 H new ATOM 106 N GLU A 9 0.139 5.286 9.613 1.00 0.79 N ATOM 107 CA GLU A 9 0.487 3.985 10.184 1.00 0.74 C ATOM 108 C GLU A 9 -0.714 3.022 10.116 1.00 0.64 C ATOM 109 O GLU A 9 -0.657 2.031 9.382 1.00 0.66 O ATOM 110 CB GLU A 9 0.978 4.162 11.630 1.00 0.80 C ATOM 111 CG GLU A 9 2.307 4.920 11.717 1.00 1.08 C ATOM 112 CD GLU A 9 2.695 5.410 13.118 1.00 1.47 C ATOM 113 OE1 GLU A 9 1.829 5.971 13.828 1.00 2.74 O ATOM 114 OE2 GLU A 9 3.870 5.241 13.509 1.00 2.04 O ATOM 0 H GLU A 9 0.433 6.063 10.205 1.00 0.79 H new ATOM 0 HA GLU A 9 1.295 3.546 9.598 1.00 0.74 H new ATOM 0 HB2 GLU A 9 0.221 4.698 12.203 1.00 0.80 H new ATOM 0 HB3 GLU A 9 1.093 3.182 12.092 1.00 0.80 H new ATOM 0 HG2 GLU A 9 3.100 4.272 11.345 1.00 1.08 H new ATOM 0 HG3 GLU A 9 2.259 5.781 11.050 1.00 1.08 H new ATOM 121 N LYS A 10 -1.834 3.315 10.797 1.00 0.62 N ATOM 122 CA LYS A 10 -3.045 2.494 10.728 1.00 0.58 C ATOM 123 C LYS A 10 -3.442 2.124 9.298 1.00 0.53 C ATOM 124 O LYS A 10 -3.831 0.984 9.111 1.00 0.51 O ATOM 125 CB LYS A 10 -4.251 3.134 11.437 1.00 0.69 C ATOM 126 CG LYS A 10 -4.117 3.245 12.960 1.00 0.87 C ATOM 127 CD LYS A 10 -4.094 1.919 13.732 1.00 1.04 C ATOM 128 CE LYS A 10 -5.390 1.101 13.640 1.00 1.40 C ATOM 129 NZ LYS A 10 -5.407 -0.010 14.625 1.00 1.91 N ATOM 0 H LYS A 10 -1.921 4.127 11.408 1.00 0.62 H new ATOM 0 HA LYS A 10 -2.776 1.581 11.259 1.00 0.58 H new ATOM 0 HB2 LYS A 10 -4.408 4.131 11.027 1.00 0.69 H new ATOM 0 HB3 LYS A 10 -5.142 2.550 11.206 1.00 0.69 H new ATOM 0 HG2 LYS A 10 -3.200 3.790 13.185 1.00 0.87 H new ATOM 0 HG3 LYS A 10 -4.945 3.846 13.335 1.00 0.87 H new ATOM 0 HD2 LYS A 10 -3.270 1.311 13.359 1.00 1.04 H new ATOM 0 HD3 LYS A 10 -3.886 2.129 14.781 1.00 1.04 H new ATOM 0 HE2 LYS A 10 -6.246 1.754 13.812 1.00 1.40 H new ATOM 0 HE3 LYS A 10 -5.495 0.697 12.633 1.00 1.40 H new ATOM 0 HZ1 LYS A 10 -6.036 -0.765 14.286 1.00 1.91 H new ATOM 0 HZ2 LYS A 10 -4.444 -0.387 14.740 1.00 1.91 H new ATOM 0 HZ3 LYS A 10 -5.752 0.343 15.540 1.00 1.91 H new ATOM 143 N ALA A 11 -3.326 2.969 8.274 1.00 0.57 N ATOM 144 CA ALA A 11 -3.641 2.551 6.905 1.00 0.55 C ATOM 145 C ALA A 11 -2.755 1.422 6.347 1.00 0.54 C ATOM 146 O ALA A 11 -3.303 0.489 5.757 1.00 0.55 O ATOM 147 CB ALA A 11 -3.589 3.764 6.004 1.00 0.55 C ATOM 0 H ALA A 11 -3.020 3.938 8.363 1.00 0.57 H new ATOM 0 HA ALA A 11 -4.642 2.121 6.934 1.00 0.55 H new ATOM 0 HB1 ALA A 11 -3.822 3.468 4.981 1.00 0.55 H new ATOM 0 HB2 ALA A 11 -4.318 4.501 6.343 1.00 0.55 H new ATOM 0 HB3 ALA A 11 -2.590 4.200 6.037 1.00 0.55 H new ATOM 153 N VAL A 12 -1.443 1.428 6.594 1.00 0.54 N ATOM 154 CA VAL A 12 -0.569 0.291 6.256 1.00 0.55 C ATOM 155 C VAL A 12 -1.035 -0.964 7.011 1.00 0.59 C ATOM 156 O VAL A 12 -1.161 -2.052 6.442 1.00 0.67 O ATOM 157 CB VAL A 12 0.893 0.638 6.620 1.00 0.55 C ATOM 158 CG1 VAL A 12 1.802 -0.579 6.496 1.00 0.62 C ATOM 159 CG2 VAL A 12 1.436 1.780 5.752 1.00 0.55 C ATOM 0 H VAL A 12 -0.956 2.211 7.030 1.00 0.54 H new ATOM 0 HA VAL A 12 -0.624 0.090 5.186 1.00 0.55 H new ATOM 0 HB VAL A 12 0.887 0.966 7.660 1.00 0.55 H new ATOM 0 HG11 VAL A 12 2.822 -0.299 6.759 1.00 0.62 H new ATOM 0 HG12 VAL A 12 1.455 -1.362 7.170 1.00 0.62 H new ATOM 0 HG13 VAL A 12 1.780 -0.947 5.470 1.00 0.62 H new ATOM 0 HG21 VAL A 12 2.466 1.996 6.037 1.00 0.55 H new ATOM 0 HG22 VAL A 12 1.404 1.487 4.703 1.00 0.55 H new ATOM 0 HG23 VAL A 12 0.825 2.671 5.899 1.00 0.55 H new ATOM 169 N ILE A 13 -1.350 -0.781 8.298 1.00 0.57 N ATOM 170 CA ILE A 13 -1.907 -1.822 9.158 1.00 0.63 C ATOM 171 C ILE A 13 -3.259 -2.331 8.612 1.00 0.64 C ATOM 172 O ILE A 13 -3.415 -3.542 8.489 1.00 0.70 O ATOM 173 CB ILE A 13 -1.938 -1.316 10.623 1.00 0.66 C ATOM 174 CG1 ILE A 13 -0.521 -0.908 11.122 1.00 0.78 C ATOM 175 CG2 ILE A 13 -2.603 -2.370 11.505 1.00 0.72 C ATOM 176 CD1 ILE A 13 -0.361 -0.660 12.621 1.00 0.80 C ATOM 0 H ILE A 13 -1.222 0.111 8.776 1.00 0.57 H new ATOM 0 HA ILE A 13 -1.267 -2.705 9.155 1.00 0.63 H new ATOM 0 HB ILE A 13 -2.535 -0.406 10.679 1.00 0.66 H new ATOM 0 HG12 ILE A 13 0.180 -1.691 10.831 1.00 0.78 H new ATOM 0 HG13 ILE A 13 -0.223 -0.002 10.595 1.00 0.78 H new ATOM 0 HG21 ILE A 13 -2.627 -2.019 12.537 1.00 0.72 H new ATOM 0 HG22 ILE A 13 -3.621 -2.545 11.158 1.00 0.72 H new ATOM 0 HG23 ILE A 13 -2.036 -3.299 11.452 1.00 0.72 H new ATOM 0 HD11 ILE A 13 0.671 -0.384 12.836 1.00 0.80 H new ATOM 0 HD12 ILE A 13 -1.025 0.148 12.929 1.00 0.80 H new ATOM 0 HD13 ILE A 13 -0.615 -1.567 13.169 1.00 0.80 H new ATOM 188 N VAL A 14 -4.187 -1.477 8.157 1.00 0.59 N ATOM 189 CA VAL A 14 -5.535 -1.874 7.687 1.00 0.65 C ATOM 190 C VAL A 14 -5.432 -2.825 6.485 1.00 0.68 C ATOM 191 O VAL A 14 -6.076 -3.873 6.461 1.00 0.78 O ATOM 192 CB VAL A 14 -6.380 -0.619 7.350 1.00 0.69 C ATOM 193 CG1 VAL A 14 -7.652 -0.886 6.531 1.00 0.86 C ATOM 194 CG2 VAL A 14 -6.815 0.138 8.616 1.00 0.71 C ATOM 0 H VAL A 14 -4.025 -0.471 8.102 1.00 0.59 H new ATOM 0 HA VAL A 14 -6.042 -2.412 8.488 1.00 0.65 H new ATOM 0 HB VAL A 14 -5.699 -0.027 6.739 1.00 0.69 H new ATOM 0 HG11 VAL A 14 -8.171 0.055 6.348 1.00 0.86 H new ATOM 0 HG12 VAL A 14 -7.382 -1.342 5.579 1.00 0.86 H new ATOM 0 HG13 VAL A 14 -8.306 -1.560 7.084 1.00 0.86 H new ATOM 0 HG21 VAL A 14 -7.405 1.010 8.334 1.00 0.71 H new ATOM 0 HG22 VAL A 14 -7.417 -0.519 9.244 1.00 0.71 H new ATOM 0 HG23 VAL A 14 -5.932 0.460 9.169 1.00 0.71 H new ATOM 204 N LEU A 15 -4.533 -2.515 5.542 1.00 0.64 N ATOM 205 CA LEU A 15 -4.203 -3.410 4.425 1.00 0.67 C ATOM 206 C LEU A 15 -3.598 -4.764 4.871 1.00 0.68 C ATOM 207 O LEU A 15 -3.901 -5.791 4.267 1.00 0.84 O ATOM 208 CB LEU A 15 -3.253 -2.665 3.459 1.00 0.66 C ATOM 209 CG LEU A 15 -3.883 -2.050 2.192 1.00 0.74 C ATOM 210 CD1 LEU A 15 -4.597 -3.089 1.314 1.00 0.81 C ATOM 211 CD2 LEU A 15 -4.803 -0.865 2.491 1.00 0.77 C ATOM 0 H LEU A 15 -4.014 -1.637 5.532 1.00 0.64 H new ATOM 0 HA LEU A 15 -5.134 -3.669 3.920 1.00 0.67 H new ATOM 0 HB2 LEU A 15 -2.763 -1.866 4.015 1.00 0.66 H new ATOM 0 HB3 LEU A 15 -2.474 -3.361 3.147 1.00 0.66 H new ATOM 0 HG LEU A 15 -3.039 -1.665 1.621 1.00 0.74 H new ATOM 0 HD11 LEU A 15 -5.020 -2.596 0.438 1.00 0.81 H new ATOM 0 HD12 LEU A 15 -3.883 -3.848 0.994 1.00 0.81 H new ATOM 0 HD13 LEU A 15 -5.396 -3.561 1.886 1.00 0.81 H new ATOM 0 HD21 LEU A 15 -5.213 -0.479 1.558 1.00 0.77 H new ATOM 0 HD22 LEU A 15 -5.617 -1.191 3.138 1.00 0.77 H new ATOM 0 HD23 LEU A 15 -4.235 -0.080 2.990 1.00 0.77 H new ATOM 223 N VAL A 16 -2.780 -4.788 5.931 1.00 0.63 N ATOM 224 CA VAL A 16 -2.172 -6.020 6.494 1.00 0.69 C ATOM 225 C VAL A 16 -3.197 -6.882 7.244 1.00 0.67 C ATOM 226 O VAL A 16 -3.087 -8.108 7.225 1.00 0.75 O ATOM 227 CB VAL A 16 -0.952 -5.688 7.397 1.00 0.84 C ATOM 228 CG1 VAL A 16 -0.612 -6.715 8.498 1.00 1.06 C ATOM 229 CG2 VAL A 16 0.299 -5.552 6.515 1.00 1.18 C ATOM 0 H VAL A 16 -2.512 -3.943 6.436 1.00 0.63 H new ATOM 0 HA VAL A 16 -1.815 -6.609 5.649 1.00 0.69 H new ATOM 0 HB VAL A 16 -1.241 -4.771 7.910 1.00 0.84 H new ATOM 0 HG11 VAL A 16 0.257 -6.372 9.060 1.00 1.06 H new ATOM 0 HG12 VAL A 16 -1.462 -6.820 9.172 1.00 1.06 H new ATOM 0 HG13 VAL A 16 -0.390 -7.679 8.040 1.00 1.06 H new ATOM 0 HG21 VAL A 16 1.161 -5.319 7.140 1.00 1.18 H new ATOM 0 HG22 VAL A 16 0.476 -6.489 5.988 1.00 1.18 H new ATOM 0 HG23 VAL A 16 0.148 -4.751 5.791 1.00 1.18 H new ATOM 239 N GLU A 17 -4.203 -6.271 7.875 1.00 0.65 N ATOM 240 CA GLU A 17 -5.263 -7.003 8.571 1.00 0.75 C ATOM 241 C GLU A 17 -6.093 -7.867 7.597 1.00 0.79 C ATOM 242 O GLU A 17 -6.311 -9.047 7.884 1.00 0.93 O ATOM 243 CB GLU A 17 -6.093 -6.005 9.399 1.00 0.95 C ATOM 244 CG GLU A 17 -7.249 -6.599 10.223 1.00 1.08 C ATOM 245 CD GLU A 17 -6.858 -7.624 11.295 1.00 3.12 C ATOM 246 OE1 GLU A 17 -5.669 -7.987 11.435 1.00 4.58 O ATOM 247 OE2 GLU A 17 -7.776 -8.194 11.924 1.00 4.11 O ATOM 0 H GLU A 17 -4.305 -5.257 7.918 1.00 0.65 H new ATOM 0 HA GLU A 17 -4.832 -7.723 9.266 1.00 0.75 H new ATOM 0 HB2 GLU A 17 -5.421 -5.483 10.080 1.00 0.95 H new ATOM 0 HB3 GLU A 17 -6.505 -5.257 8.721 1.00 0.95 H new ATOM 0 HG2 GLU A 17 -7.780 -5.780 10.709 1.00 1.08 H new ATOM 0 HG3 GLU A 17 -7.952 -7.072 9.537 1.00 1.08 H new ATOM 254 N ASN A 18 -6.442 -7.354 6.403 1.00 0.76 N ATOM 255 CA ASN A 18 -7.014 -8.160 5.308 1.00 0.92 C ATOM 256 C ASN A 18 -6.116 -9.356 4.956 1.00 1.21 C ATOM 257 O ASN A 18 -6.594 -10.494 4.918 1.00 1.59 O ATOM 258 CB ASN A 18 -7.224 -7.290 4.051 1.00 1.22 C ATOM 259 CG ASN A 18 -7.669 -8.110 2.831 1.00 2.08 C ATOM 260 OD1 ASN A 18 -6.946 -8.938 2.294 1.00 3.49 O ATOM 261 ND2 ASN A 18 -8.883 -7.923 2.374 1.00 1.95 N ATOM 0 H ASN A 18 -6.335 -6.367 6.170 1.00 0.76 H new ATOM 0 HA ASN A 18 -7.975 -8.541 5.654 1.00 0.92 H new ATOM 0 HB2 ASN A 18 -7.972 -6.527 4.263 1.00 1.22 H new ATOM 0 HB3 ASN A 18 -6.296 -6.769 3.815 1.00 1.22 H new ATOM 0 HD21 ASN A 18 -9.217 -8.465 1.578 1.00 1.95 H new ATOM 0 HD22 ASN A 18 -9.494 -7.235 2.815 1.00 1.95 H new ATOM 268 N PHE A 19 -4.831 -9.072 4.694 1.00 1.03 N ATOM 269 CA PHE A 19 -3.854 -10.038 4.205 1.00 1.07 C ATOM 270 C PHE A 19 -3.876 -11.301 5.070 1.00 1.10 C ATOM 271 O PHE A 19 -4.199 -12.377 4.573 1.00 1.18 O ATOM 272 CB PHE A 19 -2.467 -9.375 4.151 1.00 1.08 C ATOM 273 CG PHE A 19 -1.355 -10.308 3.719 1.00 1.15 C ATOM 274 CD1 PHE A 19 -0.675 -11.095 4.669 1.00 2.25 C ATOM 275 CD2 PHE A 19 -1.007 -10.399 2.361 1.00 1.49 C ATOM 276 CE1 PHE A 19 0.339 -11.979 4.262 1.00 2.29 C ATOM 277 CE2 PHE A 19 0.015 -11.271 1.956 1.00 1.61 C ATOM 278 CZ PHE A 19 0.684 -12.066 2.904 1.00 1.35 C ATOM 0 H PHE A 19 -4.440 -8.139 4.822 1.00 1.03 H new ATOM 0 HA PHE A 19 -4.108 -10.352 3.193 1.00 1.07 H new ATOM 0 HB2 PHE A 19 -2.506 -8.530 3.464 1.00 1.08 H new ATOM 0 HB3 PHE A 19 -2.229 -8.974 5.136 1.00 1.08 H new ATOM 0 HD1 PHE A 19 -0.934 -11.019 5.715 1.00 2.25 H new ATOM 0 HD2 PHE A 19 -1.526 -9.798 1.629 1.00 1.49 H new ATOM 0 HE1 PHE A 19 0.851 -12.589 4.991 1.00 2.29 H new ATOM 0 HE2 PHE A 19 0.289 -11.332 0.913 1.00 1.61 H new ATOM 0 HZ PHE A 19 1.463 -12.743 2.587 1.00 1.35 H new ATOM 288 N TYR A 20 -3.627 -11.175 6.378 1.00 1.05 N ATOM 289 CA TYR A 20 -3.653 -12.303 7.316 1.00 1.11 C ATOM 290 C TYR A 20 -5.034 -12.968 7.432 1.00 1.20 C ATOM 291 O TYR A 20 -5.117 -14.199 7.392 1.00 1.28 O ATOM 292 CB TYR A 20 -3.130 -11.858 8.686 1.00 1.09 C ATOM 293 CG TYR A 20 -1.615 -11.840 8.759 1.00 1.04 C ATOM 294 CD1 TYR A 20 -0.903 -10.690 8.375 1.00 1.91 C ATOM 295 CD2 TYR A 20 -0.911 -12.993 9.157 1.00 1.83 C ATOM 296 CE1 TYR A 20 0.503 -10.686 8.377 1.00 2.03 C ATOM 297 CE2 TYR A 20 0.498 -13.007 9.141 1.00 1.71 C ATOM 298 CZ TYR A 20 1.208 -11.856 8.736 1.00 1.08 C ATOM 299 OH TYR A 20 2.567 -11.877 8.684 1.00 1.22 O ATOM 0 H TYR A 20 -3.401 -10.283 6.818 1.00 1.05 H new ATOM 0 HA TYR A 20 -2.993 -13.070 6.912 1.00 1.11 H new ATOM 0 HB2 TYR A 20 -3.512 -10.862 8.910 1.00 1.09 H new ATOM 0 HB3 TYR A 20 -3.518 -12.528 9.453 1.00 1.09 H new ATOM 0 HD1 TYR A 20 -1.441 -9.802 8.076 1.00 1.91 H new ATOM 0 HD2 TYR A 20 -1.454 -13.871 9.476 1.00 1.83 H new ATOM 0 HE1 TYR A 20 1.042 -9.791 8.105 1.00 2.03 H new ATOM 0 HE2 TYR A 20 1.034 -13.897 9.438 1.00 1.71 H new ATOM 0 HH TYR A 20 2.867 -11.511 7.826 1.00 1.22 H new ATOM 309 N LYS A 21 -6.133 -12.203 7.514 1.00 1.24 N ATOM 310 CA LYS A 21 -7.487 -12.776 7.557 1.00 1.46 C ATOM 311 C LYS A 21 -7.790 -13.650 6.319 1.00 1.43 C ATOM 312 O LYS A 21 -8.180 -14.810 6.471 1.00 1.62 O ATOM 313 CB LYS A 21 -8.535 -11.663 7.753 1.00 1.66 C ATOM 314 CG LYS A 21 -9.165 -11.607 9.150 1.00 2.51 C ATOM 315 CD LYS A 21 -8.397 -10.688 10.078 1.00 3.59 C ATOM 316 CE LYS A 21 -7.198 -11.402 10.687 1.00 5.67 C ATOM 317 NZ LYS A 21 -6.529 -10.572 11.719 1.00 6.55 N ATOM 0 H LYS A 21 -6.110 -11.184 7.552 1.00 1.24 H new ATOM 0 HA LYS A 21 -7.541 -13.444 8.417 1.00 1.46 H new ATOM 0 HB2 LYS A 21 -8.066 -10.702 7.543 1.00 1.66 H new ATOM 0 HB3 LYS A 21 -9.328 -11.798 7.018 1.00 1.66 H new ATOM 0 HG2 LYS A 21 -10.196 -11.263 9.070 1.00 2.51 H new ATOM 0 HG3 LYS A 21 -9.195 -12.610 9.575 1.00 2.51 H new ATOM 0 HD2 LYS A 21 -8.060 -9.809 9.528 1.00 3.59 H new ATOM 0 HD3 LYS A 21 -9.055 -10.334 10.872 1.00 3.59 H new ATOM 0 HE2 LYS A 21 -7.522 -12.343 11.131 1.00 5.67 H new ATOM 0 HE3 LYS A 21 -6.485 -11.650 9.901 1.00 5.67 H new ATOM 0 HZ1 LYS A 21 -5.903 -11.171 12.294 1.00 6.55 H new ATOM 0 HZ2 LYS A 21 -5.968 -9.829 11.256 1.00 6.55 H new ATOM 0 HZ3 LYS A 21 -7.247 -10.134 12.331 1.00 6.55 H new ATOM 331 N TYR A 22 -7.552 -13.157 5.101 1.00 1.26 N ATOM 332 CA TYR A 22 -7.729 -13.937 3.875 1.00 1.36 C ATOM 333 C TYR A 22 -6.689 -15.063 3.747 1.00 1.40 C ATOM 334 O TYR A 22 -7.044 -16.193 3.397 1.00 1.47 O ATOM 335 CB TYR A 22 -7.701 -13.024 2.644 1.00 1.39 C ATOM 336 CG TYR A 22 -7.909 -13.838 1.384 1.00 1.53 C ATOM 337 CD1 TYR A 22 -9.210 -14.201 0.983 1.00 2.04 C ATOM 338 CD2 TYR A 22 -6.796 -14.373 0.712 1.00 2.40 C ATOM 339 CE1 TYR A 22 -9.402 -15.060 -0.116 1.00 2.34 C ATOM 340 CE2 TYR A 22 -6.983 -15.272 -0.350 1.00 2.57 C ATOM 341 CZ TYR A 22 -8.282 -15.596 -0.793 1.00 2.11 C ATOM 342 OH TYR A 22 -8.458 -16.430 -1.855 1.00 2.43 O ATOM 0 H TYR A 22 -7.230 -12.203 4.938 1.00 1.26 H new ATOM 0 HA TYR A 22 -8.708 -14.413 3.934 1.00 1.36 H new ATOM 0 HB2 TYR A 22 -8.479 -12.265 2.728 1.00 1.39 H new ATOM 0 HB3 TYR A 22 -6.747 -12.499 2.593 1.00 1.39 H new ATOM 0 HD1 TYR A 22 -10.064 -13.818 1.521 1.00 2.04 H new ATOM 0 HD2 TYR A 22 -5.797 -14.092 1.013 1.00 2.40 H new ATOM 0 HE1 TYR A 22 -10.401 -15.309 -0.441 1.00 2.34 H new ATOM 0 HE2 TYR A 22 -6.126 -15.719 -0.831 1.00 2.57 H new ATOM 0 HH TYR A 22 -7.910 -16.122 -2.607 1.00 2.43 H new ATOM 352 N VAL A 23 -5.423 -14.805 4.084 1.00 1.44 N ATOM 353 CA VAL A 23 -4.362 -15.821 4.106 1.00 1.65 C ATOM 354 C VAL A 23 -4.800 -17.013 4.948 1.00 1.51 C ATOM 355 O VAL A 23 -4.839 -18.116 4.402 1.00 1.41 O ATOM 356 CB VAL A 23 -3.000 -15.240 4.561 1.00 1.89 C ATOM 357 CG1 VAL A 23 -2.061 -16.277 5.203 1.00 2.59 C ATOM 358 CG2 VAL A 23 -2.319 -14.627 3.325 1.00 1.88 C ATOM 0 H VAL A 23 -5.100 -13.876 4.353 1.00 1.44 H new ATOM 0 HA VAL A 23 -4.202 -16.170 3.086 1.00 1.65 H new ATOM 0 HB VAL A 23 -3.198 -14.499 5.336 1.00 1.89 H new ATOM 0 HG11 VAL A 23 -1.129 -15.793 5.495 1.00 2.59 H new ATOM 0 HG12 VAL A 23 -2.539 -16.704 6.084 1.00 2.59 H new ATOM 0 HG13 VAL A 23 -1.849 -17.069 4.485 1.00 2.59 H new ATOM 0 HG21 VAL A 23 -1.355 -14.208 3.611 1.00 1.88 H new ATOM 0 HG22 VAL A 23 -2.169 -15.400 2.571 1.00 1.88 H new ATOM 0 HG23 VAL A 23 -2.950 -13.838 2.915 1.00 1.88 H new ATOM 368 N SER A 24 -5.213 -16.814 6.199 1.00 1.57 N ATOM 369 CA SER A 24 -5.661 -17.895 7.093 1.00 1.63 C ATOM 370 C SER A 24 -6.989 -18.538 6.654 1.00 1.69 C ATOM 371 O SER A 24 -7.179 -19.741 6.836 1.00 2.47 O ATOM 372 CB SER A 24 -5.730 -17.365 8.528 1.00 2.20 C ATOM 373 OG SER A 24 -4.410 -17.116 8.987 1.00 3.06 O ATOM 0 H SER A 24 -5.248 -15.890 6.630 1.00 1.57 H new ATOM 0 HA SER A 24 -4.928 -18.700 7.039 1.00 1.63 H new ATOM 0 HB2 SER A 24 -6.321 -16.450 8.564 1.00 2.20 H new ATOM 0 HB3 SER A 24 -6.224 -18.090 9.175 1.00 2.20 H new ATOM 0 HG SER A 24 -4.442 -16.774 9.905 1.00 3.06 H new ATOM 526 N ILE A 33 -5.098 -19.526 -2.155 1.00 1.31 N ATOM 527 CA ILE A 33 -5.551 -18.189 -2.586 1.00 1.13 C ATOM 528 C ILE A 33 -6.332 -18.501 -3.897 1.00 1.13 C ATOM 529 O ILE A 33 -6.381 -19.673 -4.291 1.00 1.56 O ATOM 530 CB ILE A 33 -4.315 -17.268 -2.848 1.00 1.41 C ATOM 531 CG1 ILE A 33 -3.238 -17.436 -1.744 1.00 1.84 C ATOM 532 CG2 ILE A 33 -4.660 -15.767 -3.042 1.00 1.94 C ATOM 533 CD1 ILE A 33 -2.013 -16.548 -1.940 1.00 2.85 C ATOM 0 HA ILE A 33 -6.160 -17.660 -1.853 1.00 1.13 H new ATOM 0 HB ILE A 33 -3.912 -17.609 -3.802 1.00 1.41 H new ATOM 0 HG12 ILE A 33 -3.686 -17.213 -0.776 1.00 1.84 H new ATOM 0 HG13 ILE A 33 -2.919 -18.478 -1.716 1.00 1.84 H new ATOM 0 HG21 ILE A 33 -3.744 -15.203 -3.218 1.00 1.94 H new ATOM 0 HG22 ILE A 33 -5.326 -15.654 -3.898 1.00 1.94 H new ATOM 0 HG23 ILE A 33 -5.153 -15.388 -2.147 1.00 1.94 H new ATOM 0 HD11 ILE A 33 -1.305 -16.721 -1.130 1.00 2.85 H new ATOM 0 HD12 ILE A 33 -1.540 -16.786 -2.893 1.00 2.85 H new ATOM 0 HD13 ILE A 33 -2.318 -15.502 -1.938 1.00 2.85 H new ATOM 545 N SER A 34 -6.899 -17.545 -4.630 1.00 1.09 N ATOM 546 CA SER A 34 -7.571 -17.828 -5.921 1.00 1.22 C ATOM 547 C SER A 34 -7.728 -16.595 -6.828 1.00 1.22 C ATOM 548 O SER A 34 -8.653 -15.805 -6.662 1.00 1.57 O ATOM 549 CB SER A 34 -8.939 -18.495 -5.686 1.00 1.48 C ATOM 550 OG SER A 34 -8.764 -19.848 -5.308 1.00 2.18 O ATOM 0 H SER A 34 -6.913 -16.561 -4.361 1.00 1.09 H new ATOM 0 HA SER A 34 -6.912 -18.514 -6.453 1.00 1.22 H new ATOM 0 HB2 SER A 34 -9.484 -17.960 -4.908 1.00 1.48 H new ATOM 0 HB3 SER A 34 -9.540 -18.438 -6.593 1.00 1.48 H new ATOM 0 HG SER A 34 -7.807 -20.044 -5.228 1.00 2.18 H new ATOM 556 N LYS A 35 -6.855 -16.476 -7.839 1.00 1.08 N ATOM 557 CA LYS A 35 -6.687 -15.311 -8.726 1.00 1.08 C ATOM 558 C LYS A 35 -8.003 -14.635 -9.173 1.00 1.09 C ATOM 559 O LYS A 35 -8.237 -13.459 -8.893 1.00 1.03 O ATOM 560 CB LYS A 35 -5.834 -15.799 -9.918 1.00 1.18 C ATOM 561 CG LYS A 35 -5.534 -14.674 -10.914 1.00 2.40 C ATOM 562 CD LYS A 35 -4.671 -15.092 -12.111 1.00 2.42 C ATOM 563 CE LYS A 35 -3.235 -15.427 -11.691 1.00 1.86 C ATOM 564 NZ LYS A 35 -2.321 -15.566 -12.849 1.00 2.17 N ATOM 0 H LYS A 35 -6.211 -17.231 -8.074 1.00 1.08 H new ATOM 0 HA LYS A 35 -6.192 -14.510 -8.177 1.00 1.08 H new ATOM 0 HB2 LYS A 35 -4.896 -16.213 -9.546 1.00 1.18 H new ATOM 0 HB3 LYS A 35 -6.357 -16.606 -10.431 1.00 1.18 H new ATOM 0 HG2 LYS A 35 -6.478 -14.275 -11.286 1.00 2.40 H new ATOM 0 HG3 LYS A 35 -5.031 -13.864 -10.386 1.00 2.40 H new ATOM 0 HD2 LYS A 35 -5.119 -15.959 -12.596 1.00 2.42 H new ATOM 0 HD3 LYS A 35 -4.656 -14.288 -12.846 1.00 2.42 H new ATOM 0 HE2 LYS A 35 -2.862 -14.645 -11.030 1.00 1.86 H new ATOM 0 HE3 LYS A 35 -3.235 -16.355 -11.119 1.00 1.86 H new ATOM 0 HZ1 LYS A 35 -1.741 -16.421 -12.733 1.00 2.17 H new ATOM 0 HZ2 LYS A 35 -2.878 -15.642 -13.724 1.00 2.17 H new ATOM 0 HZ3 LYS A 35 -1.701 -14.732 -12.904 1.00 2.17 H new ATOM 578 N SER A 36 -8.901 -15.365 -9.839 1.00 1.43 N ATOM 579 CA SER A 36 -10.148 -14.790 -10.380 1.00 1.71 C ATOM 580 C SER A 36 -11.156 -14.353 -9.299 1.00 1.71 C ATOM 581 O SER A 36 -11.963 -13.454 -9.519 1.00 1.80 O ATOM 582 CB SER A 36 -10.832 -15.809 -11.306 1.00 2.26 C ATOM 583 OG SER A 36 -9.918 -16.329 -12.258 1.00 3.27 O ATOM 0 H SER A 36 -8.792 -16.363 -10.021 1.00 1.43 H new ATOM 0 HA SER A 36 -9.852 -13.893 -10.923 1.00 1.71 H new ATOM 0 HB2 SER A 36 -11.246 -16.624 -10.712 1.00 2.26 H new ATOM 0 HB3 SER A 36 -11.667 -15.334 -11.821 1.00 2.26 H new ATOM 0 HG SER A 36 -10.377 -16.976 -12.833 1.00 3.27 H new ATOM 589 N SER A 37 -11.117 -14.982 -8.125 1.00 1.73 N ATOM 590 CA SER A 37 -11.957 -14.646 -6.968 1.00 1.89 C ATOM 591 C SER A 37 -11.397 -13.430 -6.216 1.00 1.67 C ATOM 592 O SER A 37 -12.150 -12.505 -5.910 1.00 2.02 O ATOM 593 CB SER A 37 -12.057 -15.889 -6.064 1.00 2.21 C ATOM 594 OG SER A 37 -12.605 -15.633 -4.784 1.00 2.18 O ATOM 0 H SER A 37 -10.484 -15.761 -7.944 1.00 1.73 H new ATOM 0 HA SER A 37 -12.957 -14.366 -7.299 1.00 1.89 H new ATOM 0 HB2 SER A 37 -12.668 -16.640 -6.565 1.00 2.21 H new ATOM 0 HB3 SER A 37 -11.062 -16.317 -5.942 1.00 2.21 H new ATOM 0 HG SER A 37 -12.638 -16.467 -4.270 1.00 2.18 H new ATOM 600 N PHE A 38 -10.074 -13.382 -6.012 1.00 1.26 N ATOM 601 CA PHE A 38 -9.333 -12.265 -5.420 1.00 1.24 C ATOM 602 C PHE A 38 -9.625 -10.935 -6.147 1.00 0.87 C ATOM 603 O PHE A 38 -9.816 -9.906 -5.498 1.00 0.95 O ATOM 604 CB PHE A 38 -7.845 -12.667 -5.438 1.00 1.39 C ATOM 605 CG PHE A 38 -6.804 -11.698 -4.895 1.00 1.46 C ATOM 606 CD1 PHE A 38 -7.136 -10.628 -4.037 1.00 2.92 C ATOM 607 CD2 PHE A 38 -5.455 -11.897 -5.254 1.00 1.69 C ATOM 608 CE1 PHE A 38 -6.139 -9.741 -3.596 1.00 3.05 C ATOM 609 CE2 PHE A 38 -4.457 -11.039 -4.767 1.00 1.70 C ATOM 610 CZ PHE A 38 -4.798 -9.961 -3.936 1.00 1.74 C ATOM 0 H PHE A 38 -9.464 -14.159 -6.268 1.00 1.26 H new ATOM 0 HA PHE A 38 -9.646 -12.078 -4.393 1.00 1.24 H new ATOM 0 HB2 PHE A 38 -7.750 -13.597 -4.878 1.00 1.39 H new ATOM 0 HB3 PHE A 38 -7.578 -12.889 -6.471 1.00 1.39 H new ATOM 0 HD1 PHE A 38 -8.159 -10.490 -3.718 1.00 2.92 H new ATOM 0 HD2 PHE A 38 -5.188 -12.714 -5.908 1.00 1.69 H new ATOM 0 HE1 PHE A 38 -6.408 -8.887 -2.993 1.00 3.05 H new ATOM 0 HE2 PHE A 38 -3.424 -11.209 -5.032 1.00 1.70 H new ATOM 0 HZ PHE A 38 -4.029 -9.303 -3.560 1.00 1.74 H new ATOM 620 N ARG A 39 -9.770 -10.946 -7.481 1.00 0.73 N ATOM 621 CA ARG A 39 -10.191 -9.750 -8.228 1.00 0.89 C ATOM 622 C ARG A 39 -11.528 -9.192 -7.745 1.00 1.18 C ATOM 623 O ARG A 39 -11.636 -7.981 -7.558 1.00 1.49 O ATOM 624 CB ARG A 39 -10.265 -10.041 -9.735 1.00 1.09 C ATOM 625 CG ARG A 39 -10.449 -8.743 -10.558 1.00 1.49 C ATOM 626 CD ARG A 39 -11.006 -9.016 -11.949 1.00 1.57 C ATOM 627 NE ARG A 39 -12.343 -9.635 -11.876 1.00 2.12 N ATOM 628 CZ ARG A 39 -12.724 -10.698 -12.558 1.00 2.70 C ATOM 629 NH1 ARG A 39 -12.081 -11.110 -13.632 1.00 3.08 N ATOM 630 NH2 ARG A 39 -13.783 -11.335 -12.114 1.00 3.88 N ATOM 0 H ARG A 39 -9.603 -11.767 -8.063 1.00 0.73 H new ATOM 0 HA ARG A 39 -9.431 -8.991 -8.041 1.00 0.89 H new ATOM 0 HB2 ARG A 39 -9.354 -10.548 -10.053 1.00 1.09 H new ATOM 0 HB3 ARG A 39 -11.094 -10.720 -9.935 1.00 1.09 H new ATOM 0 HG2 ARG A 39 -11.121 -8.070 -10.026 1.00 1.49 H new ATOM 0 HG3 ARG A 39 -9.490 -8.232 -10.647 1.00 1.49 H new ATOM 0 HD2 ARG A 39 -11.064 -8.083 -12.510 1.00 1.57 H new ATOM 0 HD3 ARG A 39 -10.327 -9.673 -12.493 1.00 1.57 H new ATOM 0 HE ARG A 39 -13.026 -9.208 -11.250 1.00 2.12 H new ATOM 0 HH11 ARG A 39 -11.260 -10.602 -13.961 1.00 3.08 H new ATOM 0 HH12 ARG A 39 -12.405 -11.937 -14.134 1.00 3.08 H new ATOM 0 HH21 ARG A 39 -14.267 -11.001 -11.280 1.00 3.88 H new ATOM 0 HH22 ARG A 39 -14.122 -12.164 -12.603 1.00 3.88 H new ATOM 644 N GLU A 40 -12.557 -10.020 -7.576 1.00 1.49 N ATOM 645 CA GLU A 40 -13.837 -9.560 -7.085 1.00 1.90 C ATOM 646 C GLU A 40 -13.839 -9.287 -5.585 1.00 1.62 C ATOM 647 O GLU A 40 -14.465 -8.328 -5.170 1.00 1.56 O ATOM 648 CB GLU A 40 -14.887 -10.613 -7.441 1.00 2.61 C ATOM 649 CG GLU A 40 -16.024 -9.888 -8.131 1.00 4.32 C ATOM 650 CD GLU A 40 -15.777 -9.639 -9.629 1.00 6.59 C ATOM 651 OE1 GLU A 40 -14.604 -9.623 -10.081 1.00 7.62 O ATOM 652 OE2 GLU A 40 -16.755 -9.452 -10.379 1.00 7.76 O ATOM 0 H GLU A 40 -12.520 -11.019 -7.776 1.00 1.49 H new ATOM 0 HA GLU A 40 -14.064 -8.605 -7.560 1.00 1.90 H new ATOM 0 HB2 GLU A 40 -14.463 -11.375 -8.094 1.00 2.61 H new ATOM 0 HB3 GLU A 40 -15.242 -11.122 -6.545 1.00 2.61 H new ATOM 0 HG2 GLU A 40 -16.939 -10.469 -8.014 1.00 4.32 H new ATOM 0 HG3 GLU A 40 -16.188 -8.932 -7.635 1.00 4.32 H new ATOM 659 N MET A 41 -13.113 -10.066 -4.788 1.00 1.62 N ATOM 660 CA MET A 41 -12.847 -9.792 -3.363 1.00 1.60 C ATOM 661 C MET A 41 -12.430 -8.329 -3.138 1.00 1.27 C ATOM 662 O MET A 41 -13.125 -7.607 -2.423 1.00 1.48 O ATOM 663 CB MET A 41 -11.775 -10.773 -2.871 1.00 1.80 C ATOM 664 CG MET A 41 -11.421 -10.659 -1.391 1.00 2.08 C ATOM 665 SD MET A 41 -10.017 -11.725 -0.982 1.00 3.13 S ATOM 666 CE MET A 41 -8.716 -10.487 -0.730 1.00 2.53 C ATOM 0 H MET A 41 -12.679 -10.929 -5.115 1.00 1.62 H new ATOM 0 HA MET A 41 -13.760 -9.938 -2.786 1.00 1.60 H new ATOM 0 HB2 MET A 41 -12.116 -11.789 -3.069 1.00 1.80 H new ATOM 0 HB3 MET A 41 -10.869 -10.621 -3.458 1.00 1.80 H new ATOM 0 HG2 MET A 41 -11.180 -9.624 -1.149 1.00 2.08 H new ATOM 0 HG3 MET A 41 -12.283 -10.936 -0.784 1.00 2.08 H new ATOM 0 HE1 MET A 41 -7.744 -10.931 -0.945 1.00 2.53 H new ATOM 0 HE2 MET A 41 -8.884 -9.642 -1.397 1.00 2.53 H new ATOM 0 HE3 MET A 41 -8.737 -10.143 0.304 1.00 2.53 H new ATOM 676 N LEU A 42 -11.399 -7.868 -3.860 1.00 0.91 N ATOM 677 CA LEU A 42 -10.916 -6.482 -3.870 1.00 0.82 C ATOM 678 C LEU A 42 -11.960 -5.450 -4.323 1.00 1.02 C ATOM 679 O LEU A 42 -11.869 -4.289 -3.963 1.00 1.59 O ATOM 680 CB LEU A 42 -9.685 -6.409 -4.795 1.00 0.75 C ATOM 681 CG LEU A 42 -8.369 -6.890 -4.159 1.00 0.78 C ATOM 682 CD1 LEU A 42 -7.268 -6.832 -5.225 1.00 1.02 C ATOM 683 CD2 LEU A 42 -7.953 -6.020 -2.964 1.00 0.77 C ATOM 0 H LEU A 42 -10.858 -8.475 -4.477 1.00 0.91 H new ATOM 0 HA LEU A 42 -10.672 -6.221 -2.840 1.00 0.82 H new ATOM 0 HB2 LEU A 42 -9.881 -7.007 -5.685 1.00 0.75 H new ATOM 0 HB3 LEU A 42 -9.557 -5.378 -5.125 1.00 0.75 H new ATOM 0 HG LEU A 42 -8.517 -7.906 -3.793 1.00 0.78 H new ATOM 0 HD11 LEU A 42 -6.326 -7.170 -4.794 1.00 1.02 H new ATOM 0 HD12 LEU A 42 -7.536 -7.478 -6.061 1.00 1.02 H new ATOM 0 HD13 LEU A 42 -7.158 -5.807 -5.579 1.00 1.02 H new ATOM 0 HD21 LEU A 42 -7.019 -6.397 -2.547 1.00 0.77 H new ATOM 0 HD22 LEU A 42 -7.814 -4.991 -3.294 1.00 0.77 H new ATOM 0 HD23 LEU A 42 -8.731 -6.054 -2.201 1.00 0.77 H new ATOM 695 N GLN A 43 -12.941 -5.836 -5.133 1.00 0.96 N ATOM 696 CA GLN A 43 -14.079 -5.022 -5.563 1.00 1.24 C ATOM 697 C GLN A 43 -15.270 -5.047 -4.609 1.00 1.16 C ATOM 698 O GLN A 43 -16.139 -4.190 -4.700 1.00 1.23 O ATOM 699 CB GLN A 43 -14.563 -5.596 -6.891 1.00 1.59 C ATOM 700 CG GLN A 43 -13.565 -5.353 -8.001 1.00 1.74 C ATOM 701 CD GLN A 43 -14.095 -5.997 -9.252 1.00 1.62 C ATOM 702 OE1 GLN A 43 -15.143 -5.663 -9.780 1.00 1.85 O ATOM 703 NE2 GLN A 43 -13.462 -7.042 -9.694 1.00 2.80 N ATOM 0 H GLN A 43 -12.967 -6.775 -5.530 1.00 0.96 H new ATOM 0 HA GLN A 43 -13.731 -3.990 -5.616 1.00 1.24 H new ATOM 0 HB2 GLN A 43 -14.735 -6.667 -6.784 1.00 1.59 H new ATOM 0 HB3 GLN A 43 -15.519 -5.145 -7.156 1.00 1.59 H new ATOM 0 HG2 GLN A 43 -13.419 -4.284 -8.155 1.00 1.74 H new ATOM 0 HG3 GLN A 43 -12.594 -5.772 -7.739 1.00 1.74 H new ATOM 0 HE21 GLN A 43 -12.585 -7.329 -9.259 1.00 2.80 H new ATOM 0 HE22 GLN A 43 -13.842 -7.575 -10.476 1.00 2.80 H new ATOM 712 N LYS A 44 -15.422 -6.054 -3.758 1.00 1.17 N ATOM 713 CA LYS A 44 -16.433 -6.023 -2.691 1.00 1.35 C ATOM 714 C LYS A 44 -15.925 -5.263 -1.467 1.00 1.10 C ATOM 715 O LYS A 44 -16.701 -4.560 -0.825 1.00 1.23 O ATOM 716 CB LYS A 44 -16.914 -7.424 -2.331 1.00 2.06 C ATOM 717 CG LYS A 44 -17.177 -8.363 -3.513 1.00 2.49 C ATOM 718 CD LYS A 44 -17.574 -7.827 -4.907 1.00 4.24 C ATOM 719 CE LYS A 44 -18.828 -6.951 -4.934 1.00 5.91 C ATOM 720 NZ LYS A 44 -18.546 -5.530 -5.306 1.00 7.30 N ATOM 0 H LYS A 44 -14.861 -6.906 -3.780 1.00 1.17 H new ATOM 0 HA LYS A 44 -17.297 -5.480 -3.073 1.00 1.35 H new ATOM 0 HB2 LYS A 44 -16.171 -7.887 -1.682 1.00 2.06 H new ATOM 0 HB3 LYS A 44 -17.833 -7.335 -1.751 1.00 2.06 H new ATOM 0 HG2 LYS A 44 -16.274 -8.958 -3.650 1.00 2.49 H new ATOM 0 HG3 LYS A 44 -17.966 -9.048 -3.202 1.00 2.49 H new ATOM 0 HD2 LYS A 44 -16.740 -7.252 -5.309 1.00 4.24 H new ATOM 0 HD3 LYS A 44 -17.728 -8.675 -5.575 1.00 4.24 H new ATOM 0 HE2 LYS A 44 -19.541 -7.371 -5.643 1.00 5.91 H new ATOM 0 HE3 LYS A 44 -19.302 -6.976 -3.953 1.00 5.91 H new ATOM 0 HZ1 LYS A 44 -19.099 -4.895 -4.696 1.00 7.30 H new ATOM 0 HZ2 LYS A 44 -17.532 -5.333 -5.182 1.00 7.30 H new ATOM 0 HZ3 LYS A 44 -18.810 -5.372 -6.300 1.00 7.30 H new ATOM 734 N GLU A 45 -14.623 -5.381 -1.218 1.00 1.09 N ATOM 735 CA GLU A 45 -13.832 -4.434 -0.430 1.00 1.13 C ATOM 736 C GLU A 45 -13.931 -3.010 -1.009 1.00 1.21 C ATOM 737 O GLU A 45 -14.632 -2.172 -0.452 1.00 1.92 O ATOM 738 CB GLU A 45 -12.364 -4.878 -0.393 1.00 1.40 C ATOM 739 CG GLU A 45 -12.103 -6.114 0.458 1.00 1.71 C ATOM 740 CD GLU A 45 -10.617 -6.449 0.380 1.00 3.05 C ATOM 741 OE1 GLU A 45 -9.828 -5.695 0.994 1.00 4.05 O ATOM 742 OE2 GLU A 45 -10.280 -7.473 -0.255 1.00 4.33 O ATOM 0 H GLU A 45 -14.070 -6.163 -1.570 1.00 1.09 H new ATOM 0 HA GLU A 45 -14.233 -4.421 0.583 1.00 1.13 H new ATOM 0 HB2 GLU A 45 -12.031 -5.076 -1.412 1.00 1.40 H new ATOM 0 HB3 GLU A 45 -11.758 -4.056 -0.014 1.00 1.40 H new ATOM 0 HG2 GLU A 45 -12.397 -5.931 1.492 1.00 1.71 H new ATOM 0 HG3 GLU A 45 -12.700 -6.953 0.101 1.00 1.71 H new ATOM 749 N LEU A 46 -13.250 -2.722 -2.128 1.00 0.79 N ATOM 750 CA LEU A 46 -13.222 -1.406 -2.769 1.00 0.88 C ATOM 751 C LEU A 46 -14.375 -1.224 -3.767 1.00 0.94 C ATOM 752 O LEU A 46 -14.201 -0.942 -4.956 1.00 1.53 O ATOM 753 CB LEU A 46 -11.830 -1.079 -3.337 1.00 1.12 C ATOM 754 CG LEU A 46 -10.702 -1.094 -2.281 1.00 1.38 C ATOM 755 CD1 LEU A 46 -9.911 -2.409 -2.294 1.00 1.99 C ATOM 756 CD2 LEU A 46 -9.745 0.079 -2.529 1.00 1.37 C ATOM 0 H LEU A 46 -12.691 -3.418 -2.622 1.00 0.79 H new ATOM 0 HA LEU A 46 -13.400 -0.655 -2.000 1.00 0.88 H new ATOM 0 HB2 LEU A 46 -11.590 -1.798 -4.120 1.00 1.12 H new ATOM 0 HB3 LEU A 46 -11.862 -0.096 -3.806 1.00 1.12 H new ATOM 0 HG LEU A 46 -11.172 -0.999 -1.302 1.00 1.38 H new ATOM 0 HD11 LEU A 46 -9.130 -2.371 -1.535 1.00 1.99 H new ATOM 0 HD12 LEU A 46 -10.583 -3.240 -2.082 1.00 1.99 H new ATOM 0 HD13 LEU A 46 -9.457 -2.551 -3.275 1.00 1.99 H new ATOM 0 HD21 LEU A 46 -8.951 0.065 -1.782 1.00 1.37 H new ATOM 0 HD22 LEU A 46 -9.309 -0.011 -3.524 1.00 1.37 H new ATOM 0 HD23 LEU A 46 -10.294 1.018 -2.457 1.00 1.37 H new ATOM 768 N ASN A 47 -15.583 -1.392 -3.239 1.00 0.86 N ATOM 769 CA ASN A 47 -16.848 -1.289 -3.960 1.00 0.85 C ATOM 770 C ASN A 47 -17.116 0.103 -4.562 1.00 0.93 C ATOM 771 O ASN A 47 -17.917 0.218 -5.487 1.00 1.06 O ATOM 772 CB ASN A 47 -17.945 -1.756 -2.993 1.00 0.91 C ATOM 773 CG ASN A 47 -19.280 -1.959 -3.688 1.00 1.45 C ATOM 774 OD1 ASN A 47 -19.516 -2.987 -4.322 1.00 2.11 O ATOM 775 ND2 ASN A 47 -20.185 -1.007 -3.581 1.00 1.68 N ATOM 0 H ASN A 47 -15.713 -1.614 -2.252 1.00 0.86 H new ATOM 0 HA ASN A 47 -16.821 -1.927 -4.844 1.00 0.85 H new ATOM 0 HB2 ASN A 47 -17.638 -2.690 -2.522 1.00 0.91 H new ATOM 0 HB3 ASN A 47 -18.061 -1.021 -2.197 1.00 0.91 H new ATOM 0 HD21 ASN A 47 -21.096 -1.117 -4.027 1.00 1.68 H new ATOM 0 HD22 ASN A 47 -19.975 -0.161 -3.052 1.00 1.68 H new ATOM 782 N HIS A 48 -16.432 1.147 -4.095 1.00 0.92 N ATOM 783 CA HIS A 48 -16.645 2.528 -4.535 1.00 1.06 C ATOM 784 C HIS A 48 -15.445 3.095 -5.326 1.00 1.20 C ATOM 785 O HIS A 48 -15.459 4.257 -5.726 1.00 2.15 O ATOM 786 CB HIS A 48 -16.991 3.353 -3.280 1.00 1.19 C ATOM 787 CG HIS A 48 -17.952 2.632 -2.362 1.00 1.20 C ATOM 788 ND1 HIS A 48 -17.623 2.034 -1.164 1.00 1.17 N ATOM 789 CD2 HIS A 48 -19.213 2.210 -2.688 1.00 1.55 C ATOM 790 CE1 HIS A 48 -18.669 1.288 -0.774 1.00 1.41 C ATOM 791 NE2 HIS A 48 -19.655 1.334 -1.691 1.00 1.72 N ATOM 0 H HIS A 48 -15.702 1.057 -3.388 1.00 0.92 H new ATOM 0 HA HIS A 48 -17.469 2.576 -5.247 1.00 1.06 H new ATOM 0 HB2 HIS A 48 -16.075 3.582 -2.735 1.00 1.19 H new ATOM 0 HB3 HIS A 48 -17.428 4.305 -3.583 1.00 1.19 H new ATOM 0 HD1 HIS A 48 -16.741 2.140 -0.663 1.00 1.17 H new ATOM 0 HD2 HIS A 48 -19.771 2.503 -3.565 1.00 1.55 H new ATOM 0 HE1 HIS A 48 -18.714 0.728 0.148 1.00 1.41 H new ATOM 799 N MET A 49 -14.404 2.285 -5.568 1.00 1.02 N ATOM 800 CA MET A 49 -13.198 2.674 -6.321 1.00 1.01 C ATOM 801 C MET A 49 -13.349 2.497 -7.840 1.00 1.04 C ATOM 802 O MET A 49 -12.643 3.139 -8.617 1.00 1.21 O ATOM 803 CB MET A 49 -12.044 1.811 -5.786 1.00 1.02 C ATOM 804 CG MET A 49 -10.664 2.186 -6.332 1.00 1.04 C ATOM 805 SD MET A 49 -10.017 3.744 -5.682 1.00 1.37 S ATOM 806 CE MET A 49 -9.071 3.095 -4.287 1.00 0.74 C ATOM 0 H MET A 49 -14.374 1.320 -5.239 1.00 1.02 H new ATOM 0 HA MET A 49 -13.011 3.738 -6.174 1.00 1.01 H new ATOM 0 HB2 MET A 49 -12.024 1.888 -4.699 1.00 1.02 H new ATOM 0 HB3 MET A 49 -12.245 0.767 -6.028 1.00 1.02 H new ATOM 0 HG2 MET A 49 -9.962 1.386 -6.097 1.00 1.04 H new ATOM 0 HG3 MET A 49 -10.720 2.252 -7.419 1.00 1.04 H new ATOM 0 HE1 MET A 49 -8.180 3.704 -4.137 1.00 0.74 H new ATOM 0 HE2 MET A 49 -9.685 3.122 -3.387 1.00 0.74 H new ATOM 0 HE3 MET A 49 -8.776 2.066 -4.494 1.00 0.74 H new ATOM 816 N LEU A 50 -14.217 1.581 -8.280 1.00 1.20 N ATOM 817 CA LEU A 50 -14.382 1.212 -9.680 1.00 1.25 C ATOM 818 C LEU A 50 -15.333 2.172 -10.406 1.00 1.16 C ATOM 819 O LEU A 50 -16.392 2.513 -9.892 1.00 1.67 O ATOM 820 CB LEU A 50 -14.898 -0.241 -9.732 1.00 1.73 C ATOM 821 CG LEU A 50 -14.092 -1.152 -10.668 1.00 1.87 C ATOM 822 CD1 LEU A 50 -12.667 -1.403 -10.146 1.00 2.78 C ATOM 823 CD2 LEU A 50 -14.819 -2.495 -10.770 1.00 2.59 C ATOM 0 H LEU A 50 -14.837 1.066 -7.654 1.00 1.20 H new ATOM 0 HA LEU A 50 -13.425 1.283 -10.196 1.00 1.25 H new ATOM 0 HB2 LEU A 50 -14.877 -0.660 -8.726 1.00 1.73 H new ATOM 0 HB3 LEU A 50 -15.939 -0.235 -10.054 1.00 1.73 H new ATOM 0 HG LEU A 50 -14.011 -0.661 -11.638 1.00 1.87 H new ATOM 0 HD11 LEU A 50 -12.134 -2.053 -10.841 1.00 2.78 H new ATOM 0 HD12 LEU A 50 -12.139 -0.454 -10.059 1.00 2.78 H new ATOM 0 HD13 LEU A 50 -12.717 -1.881 -9.168 1.00 2.78 H new ATOM 0 HD21 LEU A 50 -14.264 -3.160 -11.431 1.00 2.59 H new ATOM 0 HD22 LEU A 50 -14.892 -2.945 -9.780 1.00 2.59 H new ATOM 0 HD23 LEU A 50 -15.820 -2.337 -11.171 1.00 2.59 H new ATOM 835 N SER A 51 -14.974 2.557 -11.628 1.00 1.43 N ATOM 836 CA SER A 51 -15.876 3.255 -12.551 1.00 1.93 C ATOM 837 C SER A 51 -16.508 2.305 -13.574 1.00 1.86 C ATOM 838 O SER A 51 -17.672 2.481 -13.927 1.00 2.39 O ATOM 839 CB SER A 51 -15.102 4.338 -13.313 1.00 2.59 C ATOM 840 OG SER A 51 -14.489 5.253 -12.422 1.00 3.14 O ATOM 0 H SER A 51 -14.043 2.394 -12.012 1.00 1.43 H new ATOM 0 HA SER A 51 -16.672 3.693 -11.949 1.00 1.93 H new ATOM 0 HB2 SER A 51 -14.342 3.872 -13.940 1.00 2.59 H new ATOM 0 HB3 SER A 51 -15.780 4.873 -13.978 1.00 2.59 H new ATOM 0 HG SER A 51 -14.001 5.931 -12.934 1.00 3.14 H new ATOM 846 N ASP A 52 -15.747 1.324 -14.086 1.00 2.08 N ATOM 847 CA ASP A 52 -16.098 0.653 -15.340 1.00 2.54 C ATOM 848 C ASP A 52 -15.360 -0.680 -15.624 1.00 2.02 C ATOM 849 O ASP A 52 -14.586 -1.214 -14.824 1.00 1.72 O ATOM 850 CB ASP A 52 -15.918 1.665 -16.500 1.00 3.76 C ATOM 851 CG ASP A 52 -14.511 1.654 -17.102 1.00 5.18 C ATOM 852 OD1 ASP A 52 -13.516 1.686 -16.339 1.00 5.99 O ATOM 853 OD2 ASP A 52 -14.438 1.398 -18.324 1.00 5.94 O ATOM 0 H ASP A 52 -14.890 0.982 -13.651 1.00 2.08 H new ATOM 0 HA ASP A 52 -17.138 0.339 -15.245 1.00 2.54 H new ATOM 0 HB2 ASP A 52 -16.642 1.441 -17.283 1.00 3.76 H new ATOM 0 HB3 ASP A 52 -16.142 2.668 -16.136 1.00 3.76 H new ATOM 858 N THR A 53 -15.602 -1.221 -16.825 1.00 2.24 N ATOM 859 CA THR A 53 -14.975 -2.434 -17.383 1.00 2.04 C ATOM 860 C THR A 53 -13.522 -2.224 -17.807 1.00 1.89 C ATOM 861 O THR A 53 -12.778 -3.188 -17.951 1.00 1.79 O ATOM 862 CB THR A 53 -15.840 -2.893 -18.555 1.00 2.37 C ATOM 863 OG1 THR A 53 -15.526 -4.221 -18.910 1.00 3.11 O ATOM 864 CG2 THR A 53 -15.703 -2.004 -19.786 1.00 2.85 C ATOM 0 H THR A 53 -16.275 -0.806 -17.470 1.00 2.24 H new ATOM 0 HA THR A 53 -14.928 -3.200 -16.609 1.00 2.04 H new ATOM 0 HB THR A 53 -16.872 -2.825 -18.212 1.00 2.37 H new ATOM 0 HG1 THR A 53 -16.090 -4.501 -19.661 1.00 3.11 H new ATOM 0 HG21 THR A 53 -16.343 -2.384 -20.582 1.00 2.85 H new ATOM 0 HG22 THR A 53 -16.002 -0.986 -19.535 1.00 2.85 H new ATOM 0 HG23 THR A 53 -14.666 -2.005 -20.122 1.00 2.85 H new ATOM 872 N GLY A 54 -13.105 -0.988 -18.030 1.00 2.05 N ATOM 873 CA GLY A 54 -11.713 -0.583 -18.231 1.00 2.09 C ATOM 874 C GLY A 54 -10.911 -0.742 -16.946 1.00 1.67 C ATOM 875 O GLY A 54 -9.872 -1.406 -16.963 1.00 1.68 O ATOM 0 H GLY A 54 -13.752 -0.201 -18.079 1.00 2.05 H new ATOM 0 HA2 GLY A 54 -11.265 -1.186 -19.021 1.00 2.09 H new ATOM 0 HA3 GLY A 54 -11.676 0.455 -18.562 1.00 2.09 H new ATOM 879 N ASN A 55 -11.428 -0.245 -15.816 1.00 1.37 N ATOM 880 CA ASN A 55 -10.874 -0.542 -14.492 1.00 1.04 C ATOM 881 C ASN A 55 -10.802 -2.049 -14.215 1.00 0.90 C ATOM 882 O ASN A 55 -9.808 -2.492 -13.639 1.00 0.97 O ATOM 883 CB ASN A 55 -11.684 0.134 -13.379 1.00 1.02 C ATOM 884 CG ASN A 55 -11.491 1.632 -13.227 1.00 1.19 C ATOM 885 OD1 ASN A 55 -12.390 2.315 -12.762 1.00 2.67 O ATOM 886 ND2 ASN A 55 -10.323 2.173 -13.530 1.00 1.69 N ATOM 0 H ASN A 55 -12.240 0.372 -15.795 1.00 1.37 H new ATOM 0 HA ASN A 55 -9.860 -0.142 -14.496 1.00 1.04 H new ATOM 0 HB2 ASN A 55 -12.742 -0.059 -13.559 1.00 1.02 H new ATOM 0 HB3 ASN A 55 -11.430 -0.342 -12.432 1.00 1.02 H new ATOM 0 HD21 ASN A 55 -10.167 3.169 -13.376 1.00 1.69 H new ATOM 0 HD22 ASN A 55 -9.578 1.594 -13.918 1.00 1.69 H new ATOM 893 N ARG A 56 -11.778 -2.847 -14.684 1.00 0.95 N ATOM 894 CA ARG A 56 -11.667 -4.312 -14.655 1.00 1.10 C ATOM 895 C ARG A 56 -10.402 -4.775 -15.380 1.00 0.99 C ATOM 896 O ARG A 56 -9.496 -5.253 -14.712 1.00 0.93 O ATOM 897 CB ARG A 56 -12.928 -5.023 -15.182 1.00 1.47 C ATOM 898 CG ARG A 56 -14.163 -4.809 -14.291 1.00 1.81 C ATOM 899 CD ARG A 56 -14.040 -5.657 -13.025 1.00 1.97 C ATOM 900 NE ARG A 56 -14.392 -7.066 -13.278 1.00 3.50 N ATOM 901 CZ ARG A 56 -15.386 -7.736 -12.706 1.00 4.44 C ATOM 902 NH1 ARG A 56 -16.183 -7.220 -11.809 1.00 4.57 N ATOM 903 NH2 ARG A 56 -15.604 -8.996 -12.977 1.00 5.95 N ATOM 0 H ARG A 56 -12.649 -2.501 -15.086 1.00 0.95 H new ATOM 0 HA ARG A 56 -11.583 -4.604 -13.608 1.00 1.10 H new ATOM 0 HB2 ARG A 56 -13.147 -4.663 -16.187 1.00 1.47 H new ATOM 0 HB3 ARG A 56 -12.727 -6.091 -15.263 1.00 1.47 H new ATOM 0 HG2 ARG A 56 -14.254 -3.755 -14.027 1.00 1.81 H new ATOM 0 HG3 ARG A 56 -15.067 -5.081 -14.835 1.00 1.81 H new ATOM 0 HD2 ARG A 56 -13.020 -5.599 -12.645 1.00 1.97 H new ATOM 0 HD3 ARG A 56 -14.692 -5.252 -12.251 1.00 1.97 H new ATOM 0 HE ARG A 56 -13.820 -7.573 -13.954 1.00 3.50 H new ATOM 0 HH11 ARG A 56 -16.059 -6.252 -11.513 1.00 4.57 H new ATOM 0 HH12 ARG A 56 -16.930 -7.785 -11.405 1.00 4.57 H new ATOM 0 HH21 ARG A 56 -15.004 -9.486 -13.641 1.00 5.95 H new ATOM 0 HH22 ARG A 56 -16.374 -9.489 -12.525 1.00 5.95 H new ATOM 917 N LYS A 57 -10.238 -4.507 -16.684 1.00 1.06 N ATOM 918 CA LYS A 57 -9.037 -4.957 -17.428 1.00 1.07 C ATOM 919 C LYS A 57 -7.724 -4.472 -16.804 1.00 0.93 C ATOM 920 O LYS A 57 -6.714 -5.166 -16.858 1.00 0.95 O ATOM 921 CB LYS A 57 -9.071 -4.565 -18.918 1.00 1.29 C ATOM 922 CG LYS A 57 -9.777 -5.631 -19.766 1.00 1.52 C ATOM 923 CD LYS A 57 -11.293 -5.452 -19.723 1.00 1.72 C ATOM 924 CE LYS A 57 -11.738 -4.386 -20.731 1.00 2.51 C ATOM 925 NZ LYS A 57 -13.195 -4.160 -20.644 1.00 2.93 N ATOM 0 H LYS A 57 -10.911 -3.986 -17.247 1.00 1.06 H new ATOM 0 HA LYS A 57 -9.068 -6.044 -17.356 1.00 1.07 H new ATOM 0 HB2 LYS A 57 -9.584 -3.610 -19.032 1.00 1.29 H new ATOM 0 HB3 LYS A 57 -8.053 -4.425 -19.282 1.00 1.29 H new ATOM 0 HG2 LYS A 57 -9.429 -5.569 -20.797 1.00 1.52 H new ATOM 0 HG3 LYS A 57 -9.514 -6.624 -19.400 1.00 1.52 H new ATOM 0 HD2 LYS A 57 -11.783 -6.399 -19.947 1.00 1.72 H new ATOM 0 HD3 LYS A 57 -11.602 -5.163 -18.719 1.00 1.72 H new ATOM 0 HE2 LYS A 57 -11.208 -3.453 -20.539 1.00 2.51 H new ATOM 0 HE3 LYS A 57 -11.474 -4.700 -21.741 1.00 2.51 H new ATOM 0 HZ1 LYS A 57 -13.446 -3.304 -21.179 1.00 2.93 H new ATOM 0 HZ2 LYS A 57 -13.698 -4.978 -21.043 1.00 2.93 H new ATOM 0 HZ3 LYS A 57 -13.469 -4.038 -19.648 1.00 2.93 H new ATOM 939 N ALA A 58 -7.759 -3.299 -16.181 1.00 0.85 N ATOM 940 CA ALA A 58 -6.598 -2.741 -15.481 1.00 0.76 C ATOM 941 C ALA A 58 -6.187 -3.518 -14.219 1.00 0.65 C ATOM 942 O ALA A 58 -4.993 -3.755 -14.017 1.00 0.72 O ATOM 943 CB ALA A 58 -6.875 -1.269 -15.168 1.00 0.75 C ATOM 0 H ALA A 58 -8.588 -2.706 -16.145 1.00 0.85 H new ATOM 0 HA ALA A 58 -5.740 -2.834 -16.147 1.00 0.76 H new ATOM 0 HB1 ALA A 58 -6.019 -0.841 -14.647 1.00 0.75 H new ATOM 0 HB2 ALA A 58 -7.044 -0.725 -16.097 1.00 0.75 H new ATOM 0 HB3 ALA A 58 -7.760 -1.192 -14.537 1.00 0.75 H new ATOM 949 N ALA A 59 -7.163 -3.932 -13.410 1.00 0.59 N ATOM 950 CA ALA A 59 -6.963 -4.812 -12.254 1.00 0.57 C ATOM 951 C ALA A 59 -6.751 -6.280 -12.669 1.00 0.67 C ATOM 952 O ALA A 59 -5.929 -6.968 -12.067 1.00 0.70 O ATOM 953 CB ALA A 59 -8.160 -4.597 -11.310 1.00 0.59 C ATOM 0 H ALA A 59 -8.137 -3.660 -13.542 1.00 0.59 H new ATOM 0 HA ALA A 59 -6.043 -4.559 -11.727 1.00 0.57 H new ATOM 0 HB1 ALA A 59 -8.051 -5.235 -10.433 1.00 0.59 H new ATOM 0 HB2 ALA A 59 -8.194 -3.553 -10.997 1.00 0.59 H new ATOM 0 HB3 ALA A 59 -9.084 -4.850 -11.830 1.00 0.59 H new ATOM 959 N ASP A 60 -7.382 -6.728 -13.756 1.00 0.76 N ATOM 960 CA ASP A 60 -7.209 -8.073 -14.340 1.00 0.89 C ATOM 961 C ASP A 60 -5.759 -8.267 -14.829 1.00 0.93 C ATOM 962 O ASP A 60 -5.150 -9.305 -14.577 1.00 1.00 O ATOM 963 CB ASP A 60 -8.201 -8.279 -15.507 1.00 1.05 C ATOM 964 CG ASP A 60 -9.624 -8.690 -15.091 1.00 1.52 C ATOM 965 OD1 ASP A 60 -9.807 -9.855 -14.670 1.00 2.12 O ATOM 966 OD2 ASP A 60 -10.562 -7.868 -15.219 1.00 2.50 O ATOM 0 H ASP A 60 -8.048 -6.154 -14.274 1.00 0.76 H new ATOM 0 HA ASP A 60 -7.415 -8.816 -13.569 1.00 0.89 H new ATOM 0 HB2 ASP A 60 -8.260 -7.354 -16.080 1.00 1.05 H new ATOM 0 HB3 ASP A 60 -7.800 -9.042 -16.174 1.00 1.05 H new ATOM 971 N LYS A 61 -5.160 -7.236 -15.440 1.00 0.94 N ATOM 972 CA LYS A 61 -3.749 -7.209 -15.858 1.00 1.01 C ATOM 973 C LYS A 61 -2.788 -7.480 -14.695 1.00 0.97 C ATOM 974 O LYS A 61 -1.820 -8.231 -14.822 1.00 1.09 O ATOM 975 CB LYS A 61 -3.486 -5.827 -16.475 1.00 1.04 C ATOM 976 CG LYS A 61 -2.030 -5.576 -16.890 1.00 1.16 C ATOM 977 CD LYS A 61 -1.230 -4.753 -15.861 1.00 1.19 C ATOM 978 CE LYS A 61 -1.745 -3.316 -15.678 1.00 1.91 C ATOM 979 NZ LYS A 61 -0.978 -2.574 -14.639 1.00 2.20 N ATOM 0 H LYS A 61 -5.656 -6.373 -15.664 1.00 0.94 H new ATOM 0 HA LYS A 61 -3.568 -8.004 -16.581 1.00 1.01 H new ATOM 0 HB2 LYS A 61 -4.125 -5.708 -17.350 1.00 1.04 H new ATOM 0 HB3 LYS A 61 -3.782 -5.062 -15.758 1.00 1.04 H new ATOM 0 HG2 LYS A 61 -1.534 -6.534 -17.042 1.00 1.16 H new ATOM 0 HG3 LYS A 61 -2.018 -5.056 -17.848 1.00 1.16 H new ATOM 0 HD2 LYS A 61 -1.260 -5.265 -14.899 1.00 1.19 H new ATOM 0 HD3 LYS A 61 -0.186 -4.718 -16.171 1.00 1.19 H new ATOM 0 HE2 LYS A 61 -1.678 -2.784 -16.627 1.00 1.91 H new ATOM 0 HE3 LYS A 61 -2.799 -3.342 -15.401 1.00 1.91 H new ATOM 0 HZ1 LYS A 61 -1.639 -2.146 -13.959 1.00 2.20 H new ATOM 0 HZ2 LYS A 61 -0.345 -3.231 -14.140 1.00 2.20 H new ATOM 0 HZ3 LYS A 61 -0.414 -1.826 -15.091 1.00 2.20 H new ATOM 993 N LEU A 62 -3.044 -6.820 -13.569 1.00 0.85 N ATOM 994 CA LEU A 62 -2.239 -6.894 -12.352 1.00 0.83 C ATOM 995 C LEU A 62 -2.363 -8.283 -11.747 1.00 0.85 C ATOM 996 O LEU A 62 -1.377 -8.981 -11.540 1.00 0.88 O ATOM 997 CB LEU A 62 -2.745 -5.770 -11.423 1.00 0.72 C ATOM 998 CG LEU A 62 -2.306 -4.392 -11.940 1.00 0.75 C ATOM 999 CD1 LEU A 62 -3.148 -3.258 -11.367 1.00 0.61 C ATOM 1000 CD2 LEU A 62 -0.826 -4.178 -11.611 1.00 1.02 C ATOM 0 H LEU A 62 -3.846 -6.197 -13.475 1.00 0.85 H new ATOM 0 HA LEU A 62 -1.175 -6.745 -12.537 1.00 0.83 H new ATOM 0 HB2 LEU A 62 -3.832 -5.809 -11.358 1.00 0.72 H new ATOM 0 HB3 LEU A 62 -2.359 -5.924 -10.415 1.00 0.72 H new ATOM 0 HG LEU A 62 -2.455 -4.376 -13.020 1.00 0.75 H new ATOM 0 HD11 LEU A 62 -2.796 -2.306 -11.765 1.00 0.61 H new ATOM 0 HD12 LEU A 62 -4.192 -3.403 -11.645 1.00 0.61 H new ATOM 0 HD13 LEU A 62 -3.059 -3.252 -10.281 1.00 0.61 H new ATOM 0 HD21 LEU A 62 -0.510 -3.201 -11.976 1.00 1.02 H new ATOM 0 HD22 LEU A 62 -0.683 -4.226 -10.532 1.00 1.02 H new ATOM 0 HD23 LEU A 62 -0.231 -4.955 -12.091 1.00 1.02 H new ATOM 1012 N ILE A 63 -3.600 -8.707 -11.566 1.00 0.87 N ATOM 1013 CA ILE A 63 -3.992 -10.000 -10.987 1.00 1.00 C ATOM 1014 C ILE A 63 -3.545 -11.196 -11.836 1.00 1.15 C ATOM 1015 O ILE A 63 -3.221 -12.247 -11.278 1.00 1.29 O ATOM 1016 CB ILE A 63 -5.500 -9.924 -10.697 1.00 1.08 C ATOM 1017 CG1 ILE A 63 -5.631 -8.973 -9.487 1.00 1.11 C ATOM 1018 CG2 ILE A 63 -6.129 -11.292 -10.400 1.00 1.23 C ATOM 1019 CD1 ILE A 63 -7.035 -8.506 -9.207 1.00 1.15 C ATOM 0 H ILE A 63 -4.406 -8.139 -11.828 1.00 0.87 H new ATOM 0 HA ILE A 63 -3.469 -10.184 -10.048 1.00 1.00 H new ATOM 0 HB ILE A 63 -6.040 -9.563 -11.572 1.00 1.08 H new ATOM 0 HG12 ILE A 63 -5.246 -9.478 -8.601 1.00 1.11 H new ATOM 0 HG13 ILE A 63 -4.999 -8.101 -9.656 1.00 1.11 H new ATOM 0 HG21 ILE A 63 -7.194 -11.168 -10.204 1.00 1.23 H new ATOM 0 HG22 ILE A 63 -5.992 -11.949 -11.259 1.00 1.23 H new ATOM 0 HG23 ILE A 63 -5.648 -11.732 -9.526 1.00 1.23 H new ATOM 0 HD11 ILE A 63 -7.032 -7.843 -8.342 1.00 1.15 H new ATOM 0 HD12 ILE A 63 -7.420 -7.969 -10.074 1.00 1.15 H new ATOM 0 HD13 ILE A 63 -7.671 -9.367 -9.002 1.00 1.15 H new ATOM 1031 N GLN A 64 -3.433 -11.048 -13.157 1.00 1.18 N ATOM 1032 CA GLN A 64 -2.771 -12.057 -13.976 1.00 1.39 C ATOM 1033 C GLN A 64 -1.273 -12.133 -13.683 1.00 1.69 C ATOM 1034 O GLN A 64 -0.771 -13.224 -13.425 1.00 2.21 O ATOM 1035 CB GLN A 64 -3.073 -11.877 -15.463 1.00 1.37 C ATOM 1036 CG GLN A 64 -4.238 -12.775 -15.880 1.00 1.74 C ATOM 1037 CD GLN A 64 -3.742 -14.204 -16.049 1.00 2.67 C ATOM 1038 OE1 GLN A 64 -3.812 -15.036 -15.155 1.00 3.83 O ATOM 1039 NE2 GLN A 64 -3.113 -14.510 -17.158 1.00 3.01 N ATOM 0 H GLN A 64 -3.790 -10.246 -13.676 1.00 1.18 H new ATOM 0 HA GLN A 64 -3.189 -13.024 -13.696 1.00 1.39 H new ATOM 0 HB2 GLN A 64 -3.317 -10.835 -15.668 1.00 1.37 H new ATOM 0 HB3 GLN A 64 -2.189 -12.119 -16.053 1.00 1.37 H new ATOM 0 HG2 GLN A 64 -5.026 -12.739 -15.128 1.00 1.74 H new ATOM 0 HG3 GLN A 64 -4.671 -12.416 -16.814 1.00 1.74 H new ATOM 0 HE21 GLN A 64 -3.047 -13.826 -17.912 1.00 3.01 H new ATOM 0 HE22 GLN A 64 -2.690 -15.432 -17.267 1.00 3.01 H new ATOM 1048 N ASN A 65 -0.574 -10.996 -13.702 1.00 1.54 N ATOM 1049 CA ASN A 65 0.884 -10.917 -13.590 1.00 1.86 C ATOM 1050 C ASN A 65 1.435 -11.382 -12.226 1.00 1.96 C ATOM 1051 O ASN A 65 2.383 -12.169 -12.177 1.00 2.43 O ATOM 1052 CB ASN A 65 1.287 -9.467 -13.895 1.00 1.92 C ATOM 1053 CG ASN A 65 2.795 -9.295 -13.927 1.00 2.51 C ATOM 1054 OD1 ASN A 65 3.412 -8.933 -12.942 1.00 4.08 O ATOM 1055 ND2 ASN A 65 3.434 -9.590 -15.043 1.00 2.08 N ATOM 0 H ASN A 65 -1.017 -10.082 -13.798 1.00 1.54 H new ATOM 0 HA ASN A 65 1.326 -11.610 -14.306 1.00 1.86 H new ATOM 0 HB2 ASN A 65 0.867 -9.167 -14.855 1.00 1.92 H new ATOM 0 HB3 ASN A 65 0.862 -8.805 -13.140 1.00 1.92 H new ATOM 0 HD21 ASN A 65 4.450 -9.515 -15.084 1.00 2.08 H new ATOM 0 HD22 ASN A 65 2.912 -9.893 -15.865 1.00 2.08 H new ATOM 1062 N LEU A 66 0.812 -10.957 -11.119 1.00 1.69 N ATOM 1063 CA LEU A 66 1.261 -11.263 -9.752 1.00 1.89 C ATOM 1064 C LEU A 66 1.143 -12.741 -9.363 1.00 1.97 C ATOM 1065 O LEU A 66 1.736 -13.153 -8.361 1.00 3.06 O ATOM 1066 CB LEU A 66 0.524 -10.342 -8.758 1.00 1.92 C ATOM 1067 CG LEU A 66 1.261 -9.027 -8.410 1.00 1.56 C ATOM 1068 CD1 LEU A 66 2.623 -9.300 -7.754 1.00 1.64 C ATOM 1069 CD2 LEU A 66 1.444 -8.094 -9.617 1.00 1.87 C ATOM 0 H LEU A 66 -0.030 -10.383 -11.147 1.00 1.69 H new ATOM 0 HA LEU A 66 2.332 -11.065 -9.713 1.00 1.89 H new ATOM 0 HB2 LEU A 66 -0.453 -10.094 -9.173 1.00 1.92 H new ATOM 0 HB3 LEU A 66 0.347 -10.896 -7.836 1.00 1.92 H new ATOM 0 HG LEU A 66 0.615 -8.514 -7.698 1.00 1.56 H new ATOM 0 HD11 LEU A 66 3.112 -8.354 -7.523 1.00 1.64 H new ATOM 0 HD12 LEU A 66 2.477 -9.866 -6.834 1.00 1.64 H new ATOM 0 HD13 LEU A 66 3.248 -9.874 -8.438 1.00 1.64 H new ATOM 0 HD21 LEU A 66 1.968 -7.191 -9.303 1.00 1.87 H new ATOM 0 HD22 LEU A 66 2.027 -8.603 -10.385 1.00 1.87 H new ATOM 0 HD23 LEU A 66 0.468 -7.825 -10.021 1.00 1.87 H new ATOM 1081 N ASP A 67 0.431 -13.547 -10.158 1.00 1.29 N ATOM 1082 CA ASP A 67 0.445 -15.013 -10.094 1.00 1.31 C ATOM 1083 C ASP A 67 0.603 -15.657 -11.487 1.00 1.19 C ATOM 1084 O ASP A 67 0.060 -16.724 -11.780 1.00 1.42 O ATOM 1085 CB ASP A 67 -0.740 -15.534 -9.251 1.00 1.62 C ATOM 1086 CG ASP A 67 -0.536 -15.378 -7.737 1.00 1.21 C ATOM 1087 OD1 ASP A 67 0.635 -15.265 -7.294 1.00 0.90 O ATOM 1088 OD2 ASP A 67 -1.547 -15.420 -7.008 1.00 2.03 O ATOM 0 H ASP A 67 -0.188 -13.188 -10.884 1.00 1.29 H new ATOM 0 HA ASP A 67 1.340 -15.337 -9.562 1.00 1.31 H new ATOM 0 HB2 ASP A 67 -1.645 -15.001 -9.544 1.00 1.62 H new ATOM 0 HB3 ASP A 67 -0.902 -16.587 -9.480 1.00 1.62 H new ATOM 1093 N ALA A 68 1.372 -14.998 -12.361 1.00 1.20 N ATOM 1094 CA ALA A 68 1.966 -15.599 -13.560 1.00 1.33 C ATOM 1095 C ALA A 68 3.327 -16.254 -13.253 1.00 1.39 C ATOM 1096 O ALA A 68 3.882 -16.962 -14.091 1.00 1.79 O ATOM 1097 CB ALA A 68 2.106 -14.524 -14.645 1.00 1.39 C ATOM 0 H ALA A 68 1.604 -14.011 -12.252 1.00 1.20 H new ATOM 0 HA ALA A 68 1.308 -16.391 -13.917 1.00 1.33 H new ATOM 0 HB1 ALA A 68 2.547 -14.965 -15.539 1.00 1.39 H new ATOM 0 HB2 ALA A 68 1.123 -14.121 -14.887 1.00 1.39 H new ATOM 0 HB3 ALA A 68 2.748 -13.722 -14.281 1.00 1.39 H new ATOM 1103 N ASN A 69 3.850 -16.074 -12.035 1.00 1.24 N ATOM 1104 CA ASN A 69 5.163 -16.558 -11.582 1.00 1.50 C ATOM 1105 C ASN A 69 5.215 -18.096 -11.394 1.00 2.21 C ATOM 1106 O ASN A 69 6.146 -18.608 -10.777 1.00 3.61 O ATOM 1107 CB ASN A 69 5.596 -15.827 -10.285 1.00 1.28 C ATOM 1108 CG ASN A 69 4.966 -14.454 -10.036 1.00 1.57 C ATOM 1109 OD1 ASN A 69 4.288 -14.235 -9.039 1.00 1.88 O ATOM 1110 ND2 ASN A 69 5.134 -13.503 -10.938 1.00 2.37 N ATOM 0 H ASN A 69 3.350 -15.566 -11.306 1.00 1.24 H new ATOM 0 HA ASN A 69 5.872 -16.324 -12.376 1.00 1.50 H new ATOM 0 HB2 ASN A 69 5.362 -16.469 -9.436 1.00 1.28 H new ATOM 0 HB3 ASN A 69 6.679 -15.707 -10.305 1.00 1.28 H new ATOM 0 HD21 ASN A 69 4.700 -12.590 -10.803 1.00 2.37 H new ATOM 0 HD22 ASN A 69 5.698 -13.682 -11.769 1.00 2.37 H new ATOM 1117 N HIS A 70 4.196 -18.825 -11.869 1.00 1.90 N ATOM 1118 CA HIS A 70 3.906 -20.239 -11.578 1.00 2.37 C ATOM 1119 C HIS A 70 3.742 -20.524 -10.066 1.00 1.91 C ATOM 1120 O HIS A 70 3.924 -21.654 -9.610 1.00 2.15 O ATOM 1121 CB HIS A 70 4.905 -21.155 -12.309 1.00 3.27 C ATOM 1122 CG HIS A 70 4.708 -21.109 -13.805 1.00 4.20 C ATOM 1123 ND1 HIS A 70 5.170 -20.137 -14.664 1.00 5.03 N ATOM 1124 CD2 HIS A 70 3.932 -21.959 -14.546 1.00 4.99 C ATOM 1125 CE1 HIS A 70 4.672 -20.389 -15.886 1.00 5.88 C ATOM 1126 NE2 HIS A 70 3.911 -21.492 -15.862 1.00 5.87 N ATOM 0 H HIS A 70 3.509 -18.420 -12.506 1.00 1.90 H new ATOM 0 HA HIS A 70 2.923 -20.480 -11.983 1.00 2.37 H new ATOM 0 HB2 HIS A 70 5.923 -20.851 -12.066 1.00 3.27 H new ATOM 0 HB3 HIS A 70 4.785 -22.180 -11.957 1.00 3.27 H new ATOM 0 HD2 HIS A 70 3.424 -22.838 -14.177 1.00 4.99 H new ATOM 0 HE1 HIS A 70 4.858 -19.788 -16.764 1.00 5.88 H new ATOM 0 HE2 HIS A 70 3.414 -21.908 -16.650 1.00 5.87 H new ATOM 1134 N ASP A 71 3.398 -19.495 -9.281 1.00 1.57 N ATOM 1135 CA ASP A 71 3.313 -19.561 -7.830 1.00 1.52 C ATOM 1136 C ASP A 71 1.863 -19.732 -7.355 1.00 1.85 C ATOM 1137 O ASP A 71 1.558 -20.694 -6.648 1.00 2.11 O ATOM 1138 CB ASP A 71 4.024 -18.335 -7.207 1.00 1.51 C ATOM 1139 CG ASP A 71 3.409 -16.966 -7.534 1.00 1.66 C ATOM 1140 OD1 ASP A 71 2.902 -16.759 -8.649 1.00 2.80 O ATOM 1141 OD2 ASP A 71 3.326 -16.085 -6.644 1.00 1.83 O ATOM 0 H ASP A 71 3.167 -18.574 -9.654 1.00 1.57 H new ATOM 0 HA ASP A 71 3.836 -20.451 -7.480 1.00 1.52 H new ATOM 0 HB2 ASP A 71 4.035 -18.457 -6.124 1.00 1.51 H new ATOM 0 HB3 ASP A 71 5.062 -18.334 -7.539 1.00 1.51 H new ATOM 1146 N GLY A 72 0.970 -18.792 -7.684 1.00 2.06 N ATOM 1147 CA GLY A 72 -0.338 -18.708 -7.025 1.00 2.41 C ATOM 1148 C GLY A 72 -0.223 -18.316 -5.544 1.00 2.09 C ATOM 1149 O GLY A 72 -1.126 -18.617 -4.763 1.00 2.27 O ATOM 0 H GLY A 72 1.128 -18.082 -8.399 1.00 2.06 H new ATOM 0 HA2 GLY A 72 -0.957 -17.977 -7.545 1.00 2.41 H new ATOM 0 HA3 GLY A 72 -0.845 -19.670 -7.105 1.00 2.41 H new ATOM 1153 N ARG A 73 0.912 -17.721 -5.143 1.00 1.67 N ATOM 1154 CA ARG A 73 1.177 -17.185 -3.806 1.00 1.40 C ATOM 1155 C ARG A 73 1.118 -15.655 -3.857 1.00 1.18 C ATOM 1156 O ARG A 73 1.513 -15.034 -4.856 1.00 1.30 O ATOM 1157 CB ARG A 73 2.550 -17.635 -3.262 1.00 1.37 C ATOM 1158 CG ARG A 73 2.526 -19.023 -2.606 1.00 1.72 C ATOM 1159 CD ARG A 73 2.632 -20.183 -3.597 1.00 1.97 C ATOM 1160 NE ARG A 73 4.038 -20.508 -3.923 1.00 2.51 N ATOM 1161 CZ ARG A 73 4.470 -21.430 -4.784 1.00 3.02 C ATOM 1162 NH1 ARG A 73 3.654 -22.131 -5.539 1.00 3.47 N ATOM 1163 NH2 ARG A 73 5.761 -21.654 -4.921 1.00 3.56 N ATOM 0 H ARG A 73 1.704 -17.597 -5.774 1.00 1.67 H new ATOM 0 HA ARG A 73 0.415 -17.573 -3.130 1.00 1.40 H new ATOM 0 HB2 ARG A 73 3.271 -17.641 -4.079 1.00 1.37 H new ATOM 0 HB3 ARG A 73 2.900 -16.904 -2.533 1.00 1.37 H new ATOM 0 HG2 ARG A 73 3.349 -19.091 -1.894 1.00 1.72 H new ATOM 0 HG3 ARG A 73 1.602 -19.128 -2.037 1.00 1.72 H new ATOM 0 HD2 ARG A 73 2.144 -21.063 -3.178 1.00 1.97 H new ATOM 0 HD3 ARG A 73 2.098 -19.928 -4.512 1.00 1.97 H new ATOM 0 HE ARG A 73 4.754 -19.969 -3.437 1.00 2.51 H new ATOM 0 HH11 ARG A 73 2.647 -21.979 -5.479 1.00 3.47 H new ATOM 0 HH12 ARG A 73 4.028 -22.827 -6.185 1.00 3.47 H new ATOM 0 HH21 ARG A 73 6.433 -21.122 -4.368 1.00 3.56 H new ATOM 0 HH22 ARG A 73 6.089 -22.360 -5.580 1.00 3.56 H new ATOM 1177 N ILE A 74 0.677 -15.049 -2.756 1.00 0.99 N ATOM 1178 CA ILE A 74 0.657 -13.598 -2.570 1.00 0.94 C ATOM 1179 C ILE A 74 1.414 -13.287 -1.280 1.00 0.90 C ATOM 1180 O ILE A 74 0.928 -13.507 -0.176 1.00 1.26 O ATOM 1181 CB ILE A 74 -0.792 -13.058 -2.584 1.00 0.93 C ATOM 1182 CG1 ILE A 74 -1.532 -13.336 -3.915 1.00 1.23 C ATOM 1183 CG2 ILE A 74 -0.816 -11.556 -2.282 1.00 1.13 C ATOM 1184 CD1 ILE A 74 -1.003 -12.572 -5.139 1.00 2.13 C ATOM 0 H ILE A 74 0.316 -15.563 -1.952 1.00 0.99 H new ATOM 0 HA ILE A 74 1.155 -13.087 -3.394 1.00 0.94 H new ATOM 0 HB ILE A 74 -1.323 -13.599 -1.801 1.00 0.93 H new ATOM 0 HG12 ILE A 74 -1.478 -14.404 -4.124 1.00 1.23 H new ATOM 0 HG13 ILE A 74 -2.586 -13.090 -3.783 1.00 1.23 H new ATOM 0 HG21 ILE A 74 -1.845 -11.198 -2.297 1.00 1.13 H new ATOM 0 HG22 ILE A 74 -0.384 -11.376 -1.298 1.00 1.13 H new ATOM 0 HG23 ILE A 74 -0.236 -11.024 -3.036 1.00 1.13 H new ATOM 0 HD11 ILE A 74 -1.591 -12.840 -6.017 1.00 2.13 H new ATOM 0 HD12 ILE A 74 -1.084 -11.500 -4.961 1.00 2.13 H new ATOM 0 HD13 ILE A 74 0.041 -12.834 -5.308 1.00 2.13 H new ATOM 1196 N SER A 75 2.649 -12.839 -1.442 1.00 0.64 N ATOM 1197 CA SER A 75 3.488 -12.284 -0.373 1.00 0.64 C ATOM 1198 C SER A 75 3.086 -10.835 -0.013 1.00 0.56 C ATOM 1199 O SER A 75 2.332 -10.209 -0.757 1.00 0.59 O ATOM 1200 CB SER A 75 4.957 -12.325 -0.825 1.00 0.81 C ATOM 1201 OG SER A 75 5.302 -13.572 -1.412 1.00 1.67 O ATOM 0 H SER A 75 3.117 -12.849 -2.348 1.00 0.64 H new ATOM 0 HA SER A 75 3.347 -12.888 0.523 1.00 0.64 H new ATOM 0 HB2 SER A 75 5.137 -11.525 -1.543 1.00 0.81 H new ATOM 0 HB3 SER A 75 5.605 -12.137 0.031 1.00 0.81 H new ATOM 0 HG SER A 75 4.906 -13.633 -2.306 1.00 1.67 H new ATOM 1207 N PHE A 76 3.623 -10.268 1.079 1.00 0.58 N ATOM 1208 CA PHE A 76 3.312 -8.900 1.544 1.00 0.61 C ATOM 1209 C PHE A 76 3.414 -7.830 0.444 1.00 0.52 C ATOM 1210 O PHE A 76 2.455 -7.101 0.191 1.00 0.52 O ATOM 1211 CB PHE A 76 4.241 -8.538 2.715 1.00 0.73 C ATOM 1212 CG PHE A 76 4.210 -9.538 3.849 1.00 0.82 C ATOM 1213 CD1 PHE A 76 3.056 -9.640 4.642 1.00 1.48 C ATOM 1214 CD2 PHE A 76 5.304 -10.393 4.082 1.00 2.25 C ATOM 1215 CE1 PHE A 76 2.981 -10.618 5.645 1.00 1.54 C ATOM 1216 CE2 PHE A 76 5.232 -11.368 5.091 1.00 2.43 C ATOM 1217 CZ PHE A 76 4.064 -11.492 5.863 1.00 1.30 C ATOM 0 H PHE A 76 4.295 -10.751 1.675 1.00 0.58 H new ATOM 0 HA PHE A 76 2.269 -8.907 1.862 1.00 0.61 H new ATOM 0 HB2 PHE A 76 5.263 -8.455 2.344 1.00 0.73 H new ATOM 0 HB3 PHE A 76 3.961 -7.557 3.100 1.00 0.73 H new ATOM 0 HD1 PHE A 76 2.227 -8.967 4.480 1.00 1.48 H new ATOM 0 HD2 PHE A 76 6.199 -10.299 3.485 1.00 2.25 H new ATOM 0 HE1 PHE A 76 2.091 -10.701 6.251 1.00 1.54 H new ATOM 0 HE2 PHE A 76 6.073 -12.021 5.273 1.00 2.43 H new ATOM 0 HZ PHE A 76 3.997 -12.257 6.623 1.00 1.30 H new ATOM 1227 N ASP A 77 4.555 -7.792 -0.255 1.00 0.56 N ATOM 1228 CA ASP A 77 4.770 -6.889 -1.389 1.00 0.66 C ATOM 1229 C ASP A 77 3.882 -7.214 -2.592 1.00 0.68 C ATOM 1230 O ASP A 77 3.497 -6.298 -3.313 1.00 0.68 O ATOM 1231 CB ASP A 77 6.244 -6.940 -1.819 1.00 0.97 C ATOM 1232 CG ASP A 77 7.093 -5.950 -1.026 1.00 2.89 C ATOM 1233 OD1 ASP A 77 6.806 -4.738 -1.158 1.00 4.37 O ATOM 1234 OD2 ASP A 77 8.021 -6.418 -0.323 1.00 3.66 O ATOM 0 H ASP A 77 5.356 -8.389 -0.048 1.00 0.56 H new ATOM 0 HA ASP A 77 4.500 -5.889 -1.050 1.00 0.66 H new ATOM 0 HB2 ASP A 77 6.631 -7.949 -1.676 1.00 0.97 H new ATOM 0 HB3 ASP A 77 6.322 -6.717 -2.883 1.00 0.97 H new ATOM 1239 N GLU A 78 3.521 -8.486 -2.802 1.00 0.78 N ATOM 1240 CA GLU A 78 2.633 -8.871 -3.902 1.00 0.88 C ATOM 1241 C GLU A 78 1.232 -8.295 -3.680 1.00 0.92 C ATOM 1242 O GLU A 78 0.692 -7.674 -4.588 1.00 1.08 O ATOM 1243 CB GLU A 78 2.532 -10.395 -4.089 1.00 1.01 C ATOM 1244 CG GLU A 78 3.823 -11.089 -4.543 1.00 1.30 C ATOM 1245 CD GLU A 78 3.538 -12.551 -4.886 1.00 1.11 C ATOM 1246 OE1 GLU A 78 3.071 -12.858 -6.004 1.00 1.46 O ATOM 1247 OE2 GLU A 78 3.673 -13.442 -4.032 1.00 1.85 O ATOM 0 H GLU A 78 3.832 -9.266 -2.223 1.00 0.78 H new ATOM 0 HA GLU A 78 3.073 -8.459 -4.810 1.00 0.88 H new ATOM 0 HB2 GLU A 78 2.213 -10.839 -3.146 1.00 1.01 H new ATOM 0 HB3 GLU A 78 1.751 -10.603 -4.820 1.00 1.01 H new ATOM 0 HG2 GLU A 78 4.235 -10.577 -5.412 1.00 1.30 H new ATOM 0 HG3 GLU A 78 4.573 -11.032 -3.754 1.00 1.30 H new ATOM 1254 N TYR A 79 0.641 -8.441 -2.486 1.00 0.82 N ATOM 1255 CA TYR A 79 -0.692 -7.880 -2.214 1.00 0.85 C ATOM 1256 C TYR A 79 -0.699 -6.349 -2.348 1.00 0.86 C ATOM 1257 O TYR A 79 -1.635 -5.772 -2.906 1.00 0.90 O ATOM 1258 CB TYR A 79 -1.194 -8.297 -0.821 1.00 0.85 C ATOM 1259 CG TYR A 79 -2.710 -8.260 -0.693 1.00 1.08 C ATOM 1260 CD1 TYR A 79 -3.399 -7.030 -0.725 1.00 2.48 C ATOM 1261 CD2 TYR A 79 -3.450 -9.459 -0.603 1.00 1.58 C ATOM 1262 CE1 TYR A 79 -4.797 -6.992 -0.686 1.00 2.82 C ATOM 1263 CE2 TYR A 79 -4.856 -9.432 -0.557 1.00 1.61 C ATOM 1264 CZ TYR A 79 -5.530 -8.186 -0.581 1.00 1.74 C ATOM 1265 OH TYR A 79 -6.882 -8.093 -0.540 1.00 2.17 O ATOM 0 H TYR A 79 1.059 -8.938 -1.699 1.00 0.82 H new ATOM 0 HA TYR A 79 -1.372 -8.287 -2.963 1.00 0.85 H new ATOM 0 HB2 TYR A 79 -0.842 -9.305 -0.602 1.00 0.85 H new ATOM 0 HB3 TYR A 79 -0.757 -7.637 -0.072 1.00 0.85 H new ATOM 0 HD1 TYR A 79 -2.841 -6.107 -0.780 1.00 2.48 H new ATOM 0 HD2 TYR A 79 -2.932 -10.406 -0.569 1.00 1.58 H new ATOM 0 HE1 TYR A 79 -5.313 -6.045 -0.737 1.00 2.82 H new ATOM 0 HE2 TYR A 79 -5.417 -10.353 -0.504 1.00 1.61 H new ATOM 0 HH TYR A 79 -7.209 -8.457 0.309 1.00 2.17 H new ATOM 1275 N TRP A 80 0.352 -5.684 -1.863 1.00 0.83 N ATOM 1276 CA TRP A 80 0.476 -4.246 -1.990 1.00 0.80 C ATOM 1277 C TRP A 80 0.687 -3.794 -3.447 1.00 0.81 C ATOM 1278 O TRP A 80 -0.224 -3.154 -3.968 1.00 0.83 O ATOM 1279 CB TRP A 80 1.497 -3.720 -0.972 1.00 0.80 C ATOM 1280 CG TRP A 80 0.892 -2.896 0.129 1.00 0.79 C ATOM 1281 CD1 TRP A 80 -0.234 -3.164 0.830 1.00 0.80 C ATOM 1282 CD2 TRP A 80 1.344 -1.609 0.624 1.00 0.79 C ATOM 1283 NE1 TRP A 80 -0.498 -2.127 1.704 1.00 0.80 N ATOM 1284 CE2 TRP A 80 0.423 -1.113 1.586 1.00 0.78 C ATOM 1285 CE3 TRP A 80 2.440 -0.799 0.312 1.00 0.79 C ATOM 1286 CZ2 TRP A 80 0.568 0.148 2.185 1.00 0.78 C ATOM 1287 CZ3 TRP A 80 2.613 0.455 0.921 1.00 0.79 C ATOM 1288 CH2 TRP A 80 1.682 0.934 1.855 1.00 0.78 C ATOM 0 H TRP A 80 1.130 -6.130 -1.377 1.00 0.83 H new ATOM 0 HA TRP A 80 -0.472 -3.775 -1.732 1.00 0.80 H new ATOM 0 HB2 TRP A 80 2.024 -4.566 -0.531 1.00 0.80 H new ATOM 0 HB3 TRP A 80 2.240 -3.119 -1.496 1.00 0.80 H new ATOM 0 HD1 TRP A 80 -0.836 -4.054 0.722 1.00 0.80 H new ATOM 0 HE1 TRP A 80 -1.281 -2.115 2.357 1.00 0.80 H new ATOM 0 HE3 TRP A 80 3.166 -1.143 -0.410 1.00 0.79 H new ATOM 0 HZ2 TRP A 80 -0.167 0.508 2.890 1.00 0.78 H new ATOM 0 HZ3 TRP A 80 3.473 1.057 0.667 1.00 0.79 H new ATOM 0 HH2 TRP A 80 1.822 1.900 2.316 1.00 0.78 H new ATOM 1299 N THR A 81 1.782 -4.149 -4.144 1.00 0.86 N ATOM 1300 CA THR A 81 2.030 -3.690 -5.537 1.00 0.96 C ATOM 1301 C THR A 81 0.863 -4.006 -6.476 1.00 0.98 C ATOM 1302 O THR A 81 0.572 -3.227 -7.377 1.00 1.27 O ATOM 1303 CB THR A 81 3.364 -4.228 -6.070 1.00 1.00 C ATOM 1304 OG1 THR A 81 3.735 -3.544 -7.242 1.00 1.19 O ATOM 1305 CG2 THR A 81 3.303 -5.699 -6.460 1.00 1.00 C ATOM 0 H THR A 81 2.514 -4.753 -3.771 1.00 0.86 H new ATOM 0 HA THR A 81 2.105 -2.603 -5.506 1.00 0.96 H new ATOM 0 HB THR A 81 4.074 -4.086 -5.255 1.00 1.00 H new ATOM 0 HG1 THR A 81 3.604 -2.581 -7.114 1.00 1.19 H new ATOM 0 HG21 THR A 81 4.278 -6.018 -6.829 1.00 1.00 H new ATOM 0 HG22 THR A 81 3.032 -6.295 -5.589 1.00 1.00 H new ATOM 0 HG23 THR A 81 2.556 -5.838 -7.242 1.00 1.00 H new ATOM 1313 N LEU A 82 0.104 -5.077 -6.206 1.00 0.75 N ATOM 1314 CA LEU A 82 -1.148 -5.357 -6.899 1.00 0.74 C ATOM 1315 C LEU A 82 -2.114 -4.166 -6.907 1.00 0.74 C ATOM 1316 O LEU A 82 -2.432 -3.655 -7.976 1.00 0.82 O ATOM 1317 CB LEU A 82 -1.803 -6.590 -6.265 1.00 0.74 C ATOM 1318 CG LEU A 82 -2.934 -7.146 -7.130 1.00 1.19 C ATOM 1319 CD1 LEU A 82 -2.311 -7.978 -8.254 1.00 1.99 C ATOM 1320 CD2 LEU A 82 -3.824 -8.023 -6.255 1.00 3.18 C ATOM 0 H LEU A 82 0.347 -5.771 -5.499 1.00 0.75 H new ATOM 0 HA LEU A 82 -0.913 -5.552 -7.945 1.00 0.74 H new ATOM 0 HB2 LEU A 82 -1.050 -7.363 -6.113 1.00 0.74 H new ATOM 0 HB3 LEU A 82 -2.194 -6.328 -5.282 1.00 0.74 H new ATOM 0 HG LEU A 82 -3.533 -6.344 -7.561 1.00 1.19 H new ATOM 0 HD11 LEU A 82 -3.100 -8.386 -8.885 1.00 1.99 H new ATOM 0 HD12 LEU A 82 -1.656 -7.346 -8.854 1.00 1.99 H new ATOM 0 HD13 LEU A 82 -1.732 -8.795 -7.824 1.00 1.99 H new ATOM 0 HD21 LEU A 82 -4.638 -8.429 -6.856 1.00 3.18 H new ATOM 0 HD22 LEU A 82 -3.235 -8.841 -5.842 1.00 3.18 H new ATOM 0 HD23 LEU A 82 -4.236 -7.426 -5.442 1.00 3.18 H new ATOM 1332 N ILE A 83 -2.621 -3.727 -5.746 1.00 0.71 N ATOM 1333 CA ILE A 83 -3.553 -2.604 -5.637 1.00 0.71 C ATOM 1334 C ILE A 83 -2.882 -1.223 -5.723 1.00 0.75 C ATOM 1335 O ILE A 83 -3.526 -0.269 -6.175 1.00 0.79 O ATOM 1336 CB ILE A 83 -4.523 -2.854 -4.459 1.00 0.66 C ATOM 1337 CG1 ILE A 83 -5.510 -1.687 -4.351 1.00 0.69 C ATOM 1338 CG2 ILE A 83 -3.953 -3.221 -3.075 1.00 0.70 C ATOM 1339 CD1 ILE A 83 -6.729 -2.087 -3.535 1.00 0.70 C ATOM 0 H ILE A 83 -2.390 -4.150 -4.847 1.00 0.71 H new ATOM 0 HA ILE A 83 -4.181 -2.560 -6.527 1.00 0.71 H new ATOM 0 HB ILE A 83 -5.005 -3.790 -4.741 1.00 0.66 H new ATOM 0 HG12 ILE A 83 -5.020 -0.832 -3.886 1.00 0.69 H new ATOM 0 HG13 ILE A 83 -5.820 -1.373 -5.348 1.00 0.69 H new ATOM 0 HG21 ILE A 83 -4.772 -3.360 -2.369 1.00 0.70 H new ATOM 0 HG22 ILE A 83 -3.379 -4.144 -3.151 1.00 0.70 H new ATOM 0 HG23 ILE A 83 -3.305 -2.418 -2.724 1.00 0.70 H new ATOM 0 HD11 ILE A 83 -7.417 -1.244 -3.471 1.00 0.70 H new ATOM 0 HD12 ILE A 83 -7.229 -2.927 -4.016 1.00 0.70 H new ATOM 0 HD13 ILE A 83 -6.416 -2.377 -2.532 1.00 0.70 H new ATOM 1351 N GLY A 84 -1.570 -1.128 -5.483 1.00 0.73 N ATOM 1352 CA GLY A 84 -0.754 0.038 -5.851 1.00 0.71 C ATOM 1353 C GLY A 84 -0.805 0.316 -7.357 1.00 0.67 C ATOM 1354 O GLY A 84 -1.033 1.455 -7.761 1.00 0.68 O ATOM 0 H GLY A 84 -1.037 -1.866 -5.023 1.00 0.73 H new ATOM 0 HA2 GLY A 84 -1.107 0.915 -5.307 1.00 0.71 H new ATOM 0 HA3 GLY A 84 0.279 -0.131 -5.547 1.00 0.71 H new ATOM 1358 N GLY A 85 -0.728 -0.733 -8.188 1.00 0.66 N ATOM 1359 CA GLY A 85 -0.830 -0.637 -9.649 1.00 0.64 C ATOM 1360 C GLY A 85 -2.232 -0.295 -10.171 1.00 0.56 C ATOM 1361 O GLY A 85 -2.370 0.095 -11.333 1.00 0.64 O ATOM 0 H GLY A 85 -0.591 -1.688 -7.857 1.00 0.66 H new ATOM 0 HA2 GLY A 85 -0.131 0.122 -10.000 1.00 0.64 H new ATOM 0 HA3 GLY A 85 -0.516 -1.585 -10.085 1.00 0.64 H new ATOM 1365 N ILE A 86 -3.283 -0.442 -9.353 1.00 0.48 N ATOM 1366 CA ILE A 86 -4.642 0.075 -9.650 1.00 0.42 C ATOM 1367 C ILE A 86 -4.661 1.586 -9.380 1.00 0.43 C ATOM 1368 O ILE A 86 -5.168 2.368 -10.190 1.00 0.48 O ATOM 1369 CB ILE A 86 -5.727 -0.664 -8.809 1.00 0.42 C ATOM 1370 CG1 ILE A 86 -5.667 -2.192 -9.044 1.00 0.44 C ATOM 1371 CG2 ILE A 86 -7.157 -0.156 -9.100 1.00 0.46 C ATOM 1372 CD1 ILE A 86 -6.666 -3.023 -8.225 1.00 0.49 C ATOM 0 H ILE A 86 -3.222 -0.926 -8.457 1.00 0.48 H new ATOM 0 HA ILE A 86 -4.879 -0.110 -10.698 1.00 0.42 H new ATOM 0 HB ILE A 86 -5.501 -0.445 -7.766 1.00 0.42 H new ATOM 0 HG12 ILE A 86 -5.840 -2.387 -10.102 1.00 0.44 H new ATOM 0 HG13 ILE A 86 -4.659 -2.538 -8.816 1.00 0.44 H new ATOM 0 HG21 ILE A 86 -7.870 -0.706 -8.486 1.00 0.46 H new ATOM 0 HG22 ILE A 86 -7.220 0.907 -8.866 1.00 0.46 H new ATOM 0 HG23 ILE A 86 -7.390 -0.310 -10.154 1.00 0.46 H new ATOM 0 HD11 ILE A 86 -6.542 -4.079 -8.463 1.00 0.49 H new ATOM 0 HD12 ILE A 86 -6.484 -2.867 -7.162 1.00 0.49 H new ATOM 0 HD13 ILE A 86 -7.682 -2.713 -8.468 1.00 0.49 H new ATOM 1384 N THR A 87 -4.067 1.983 -8.248 1.00 0.48 N ATOM 1385 CA THR A 87 -4.114 3.329 -7.659 1.00 0.55 C ATOM 1386 C THR A 87 -3.075 4.262 -8.280 1.00 0.62 C ATOM 1387 O THR A 87 -2.229 4.829 -7.592 1.00 0.97 O ATOM 1388 CB THR A 87 -3.951 3.262 -6.135 1.00 0.66 C ATOM 1389 OG1 THR A 87 -4.730 2.206 -5.621 1.00 0.73 O ATOM 1390 CG2 THR A 87 -4.455 4.566 -5.515 1.00 0.75 C ATOM 0 H THR A 87 -3.510 1.339 -7.687 1.00 0.48 H new ATOM 0 HA THR A 87 -5.095 3.747 -7.883 1.00 0.55 H new ATOM 0 HB THR A 87 -2.899 3.105 -5.897 1.00 0.66 H new ATOM 0 HG1 THR A 87 -4.281 1.353 -5.796 1.00 0.73 H new ATOM 0 HG21 THR A 87 -4.341 4.522 -4.432 1.00 0.75 H new ATOM 0 HG22 THR A 87 -3.877 5.403 -5.907 1.00 0.75 H new ATOM 0 HG23 THR A 87 -5.507 4.704 -5.763 1.00 0.75 H new ATOM 1398 N GLY A 88 -3.148 4.451 -9.599 1.00 0.55 N ATOM 1399 CA GLY A 88 -2.271 5.390 -10.310 1.00 0.60 C ATOM 1400 C GLY A 88 -3.002 6.368 -11.234 1.00 0.57 C ATOM 1401 O GLY A 88 -3.048 7.558 -10.920 1.00 0.57 O ATOM 0 H GLY A 88 -3.810 3.963 -10.202 1.00 0.55 H new ATOM 0 HA2 GLY A 88 -1.700 5.960 -9.577 1.00 0.60 H new ATOM 0 HA3 GLY A 88 -1.553 4.821 -10.900 1.00 0.60 H new ATOM 1405 N PRO A 89 -3.611 5.913 -12.347 1.00 0.65 N ATOM 1406 CA PRO A 89 -4.359 6.794 -13.246 1.00 0.76 C ATOM 1407 C PRO A 89 -5.557 7.438 -12.534 1.00 0.72 C ATOM 1408 O PRO A 89 -5.805 8.629 -12.695 1.00 0.79 O ATOM 1409 CB PRO A 89 -4.774 5.916 -14.432 1.00 0.93 C ATOM 1410 CG PRO A 89 -4.737 4.490 -13.877 1.00 0.92 C ATOM 1411 CD PRO A 89 -3.618 4.543 -12.838 1.00 0.76 C ATOM 0 HA PRO A 89 -3.756 7.636 -13.585 1.00 0.76 H new ATOM 0 HB2 PRO A 89 -5.769 6.177 -14.792 1.00 0.93 H new ATOM 0 HB3 PRO A 89 -4.090 6.034 -15.273 1.00 0.93 H new ATOM 0 HG2 PRO A 89 -5.689 4.209 -13.428 1.00 0.92 H new ATOM 0 HG3 PRO A 89 -4.525 3.760 -14.658 1.00 0.92 H new ATOM 0 HD2 PRO A 89 -3.800 3.836 -12.028 1.00 0.76 H new ATOM 0 HD3 PRO A 89 -2.658 4.280 -13.281 1.00 0.76 H new ATOM 1419 N ILE A 90 -6.247 6.677 -11.676 1.00 0.67 N ATOM 1420 CA ILE A 90 -7.319 7.178 -10.802 1.00 0.69 C ATOM 1421 C ILE A 90 -6.819 8.035 -9.632 1.00 0.61 C ATOM 1422 O ILE A 90 -7.601 8.803 -9.071 1.00 0.66 O ATOM 1423 CB ILE A 90 -8.215 6.027 -10.339 1.00 0.77 C ATOM 1424 CG1 ILE A 90 -7.475 5.041 -9.421 1.00 0.78 C ATOM 1425 CG2 ILE A 90 -8.813 5.338 -11.581 1.00 0.90 C ATOM 1426 CD1 ILE A 90 -8.473 4.041 -8.859 1.00 1.19 C ATOM 0 H ILE A 90 -6.074 5.678 -11.566 1.00 0.67 H new ATOM 0 HA ILE A 90 -7.919 7.861 -11.404 1.00 0.69 H new ATOM 0 HB ILE A 90 -9.025 6.428 -9.729 1.00 0.77 H new ATOM 0 HG12 ILE A 90 -6.695 4.522 -9.978 1.00 0.78 H new ATOM 0 HG13 ILE A 90 -6.984 5.578 -8.610 1.00 0.78 H new ATOM 0 HG21 ILE A 90 -9.455 4.515 -11.267 1.00 0.90 H new ATOM 0 HG22 ILE A 90 -9.400 6.059 -12.150 1.00 0.90 H new ATOM 0 HG23 ILE A 90 -8.008 4.952 -12.206 1.00 0.90 H new ATOM 0 HD11 ILE A 90 -7.955 3.338 -8.207 1.00 1.19 H new ATOM 0 HD12 ILE A 90 -9.237 4.570 -8.289 1.00 1.19 H new ATOM 0 HD13 ILE A 90 -8.943 3.497 -9.678 1.00 1.19 H new ATOM 1438 N ALA A 91 -5.532 7.953 -9.278 1.00 0.55 N ATOM 1439 CA ALA A 91 -4.995 8.649 -8.106 1.00 0.56 C ATOM 1440 C ALA A 91 -5.184 10.169 -8.181 1.00 0.59 C ATOM 1441 O ALA A 91 -5.386 10.812 -7.152 1.00 0.65 O ATOM 1442 CB ALA A 91 -3.534 8.259 -7.880 1.00 0.61 C ATOM 0 H ALA A 91 -4.840 7.407 -9.791 1.00 0.55 H new ATOM 0 HA ALA A 91 -5.571 8.326 -7.239 1.00 0.56 H new ATOM 0 HB1 ALA A 91 -3.148 8.784 -7.006 1.00 0.61 H new ATOM 0 HB2 ALA A 91 -3.466 7.183 -7.717 1.00 0.61 H new ATOM 0 HB3 ALA A 91 -2.945 8.531 -8.756 1.00 0.61 H new ATOM 1448 N LYS A 92 -5.194 10.747 -9.389 1.00 0.61 N ATOM 1449 CA LYS A 92 -5.507 12.144 -9.602 1.00 0.65 C ATOM 1450 C LYS A 92 -6.881 12.567 -9.060 1.00 0.64 C ATOM 1451 O LYS A 92 -6.944 13.627 -8.447 1.00 0.65 O ATOM 1452 CB LYS A 92 -5.325 12.415 -11.109 1.00 0.68 C ATOM 1453 CG LYS A 92 -4.276 13.510 -11.358 1.00 1.14 C ATOM 1454 CD LYS A 92 -4.855 14.720 -12.076 1.00 1.42 C ATOM 1455 CE LYS A 92 -5.921 15.392 -11.215 1.00 2.01 C ATOM 1456 NZ LYS A 92 -5.396 16.171 -10.068 1.00 2.09 N ATOM 0 H LYS A 92 -4.981 10.241 -10.249 1.00 0.61 H new ATOM 0 HA LYS A 92 -4.827 12.768 -9.022 1.00 0.65 H new ATOM 0 HB2 LYS A 92 -5.021 11.497 -11.611 1.00 0.68 H new ATOM 0 HB3 LYS A 92 -6.278 12.716 -11.544 1.00 0.68 H new ATOM 0 HG2 LYS A 92 -3.852 13.826 -10.405 1.00 1.14 H new ATOM 0 HG3 LYS A 92 -3.459 13.098 -11.949 1.00 1.14 H new ATOM 0 HD2 LYS A 92 -4.060 15.431 -12.302 1.00 1.42 H new ATOM 0 HD3 LYS A 92 -5.288 14.413 -13.028 1.00 1.42 H new ATOM 0 HE2 LYS A 92 -6.512 16.056 -11.846 1.00 2.01 H new ATOM 0 HE3 LYS A 92 -6.598 14.626 -10.836 1.00 2.01 H new ATOM 0 HZ1 LYS A 92 -6.176 16.686 -9.612 1.00 2.09 H new ATOM 0 HZ2 LYS A 92 -4.959 15.525 -9.380 1.00 2.09 H new ATOM 0 HZ3 LYS A 92 -4.684 16.849 -10.406 1.00 2.09 H new ATOM 1470 N LEU A 93 -7.941 11.765 -9.224 1.00 0.72 N ATOM 1471 CA LEU A 93 -9.248 12.004 -8.628 1.00 0.80 C ATOM 1472 C LEU A 93 -9.209 11.772 -7.121 1.00 0.76 C ATOM 1473 O LEU A 93 -9.701 12.628 -6.403 1.00 0.85 O ATOM 1474 CB LEU A 93 -10.197 11.053 -9.366 1.00 0.92 C ATOM 1475 CG LEU A 93 -11.695 11.165 -9.088 1.00 1.25 C ATOM 1476 CD1 LEU A 93 -12.117 10.541 -7.753 1.00 1.44 C ATOM 1477 CD2 LEU A 93 -12.226 12.601 -9.217 1.00 1.56 C ATOM 0 H LEU A 93 -7.906 10.916 -9.788 1.00 0.72 H new ATOM 0 HA LEU A 93 -9.583 13.036 -8.735 1.00 0.80 H new ATOM 0 HB2 LEU A 93 -10.046 11.196 -10.436 1.00 0.92 H new ATOM 0 HB3 LEU A 93 -9.891 10.033 -9.135 1.00 0.92 H new ATOM 0 HG LEU A 93 -12.163 10.574 -9.875 1.00 1.25 H new ATOM 0 HD11 LEU A 93 -13.193 10.657 -7.621 1.00 1.44 H new ATOM 0 HD12 LEU A 93 -11.863 9.481 -7.750 1.00 1.44 H new ATOM 0 HD13 LEU A 93 -11.596 11.041 -6.937 1.00 1.44 H new ATOM 0 HD21 LEU A 93 -13.296 12.614 -9.008 1.00 1.56 H new ATOM 0 HD22 LEU A 93 -11.709 13.245 -8.506 1.00 1.56 H new ATOM 0 HD23 LEU A 93 -12.050 12.964 -10.230 1.00 1.56 H new ATOM 1489 N ILE A 94 -8.574 10.696 -6.651 1.00 0.67 N ATOM 1490 CA ILE A 94 -8.435 10.356 -5.215 1.00 0.71 C ATOM 1491 C ILE A 94 -7.804 11.489 -4.407 1.00 0.86 C ATOM 1492 O ILE A 94 -8.380 11.915 -3.418 1.00 1.05 O ATOM 1493 CB ILE A 94 -7.634 9.047 -5.059 1.00 0.69 C ATOM 1494 CG1 ILE A 94 -8.431 7.871 -5.663 1.00 0.69 C ATOM 1495 CG2 ILE A 94 -7.280 8.771 -3.588 1.00 0.88 C ATOM 1496 CD1 ILE A 94 -7.582 6.606 -5.765 1.00 0.79 C ATOM 0 H ILE A 94 -8.128 10.015 -7.265 1.00 0.67 H new ATOM 0 HA ILE A 94 -9.436 10.210 -4.810 1.00 0.71 H new ATOM 0 HB ILE A 94 -6.694 9.155 -5.600 1.00 0.69 H new ATOM 0 HG12 ILE A 94 -9.308 7.672 -5.047 1.00 0.69 H new ATOM 0 HG13 ILE A 94 -8.793 8.147 -6.653 1.00 0.69 H new ATOM 0 HG21 ILE A 94 -6.716 7.841 -3.518 1.00 0.88 H new ATOM 0 HG22 ILE A 94 -6.677 9.591 -3.199 1.00 0.88 H new ATOM 0 HG23 ILE A 94 -8.196 8.685 -3.003 1.00 0.88 H new ATOM 0 HD11 ILE A 94 -8.178 5.801 -6.195 1.00 0.79 H new ATOM 0 HD12 ILE A 94 -6.719 6.798 -6.402 1.00 0.79 H new ATOM 0 HD13 ILE A 94 -7.242 6.315 -4.771 1.00 0.79 H new ATOM 1508 N HIS A 95 -6.661 12.013 -4.846 1.00 0.81 N ATOM 1509 CA HIS A 95 -6.089 13.257 -4.289 1.00 0.89 C ATOM 1510 C HIS A 95 -7.126 14.380 -4.119 1.00 1.15 C ATOM 1511 O HIS A 95 -7.197 15.043 -3.085 1.00 1.46 O ATOM 1512 CB HIS A 95 -4.998 13.765 -5.248 1.00 0.75 C ATOM 1513 CG HIS A 95 -4.610 15.210 -5.009 1.00 0.88 C ATOM 1514 ND1 HIS A 95 -4.976 16.308 -5.767 1.00 1.33 N ATOM 1515 CD2 HIS A 95 -3.994 15.694 -3.888 1.00 0.92 C ATOM 1516 CE1 HIS A 95 -4.546 17.411 -5.133 1.00 1.49 C ATOM 1517 NE2 HIS A 95 -3.900 17.086 -4.001 1.00 1.20 N ATOM 0 H HIS A 95 -6.102 11.598 -5.592 1.00 0.81 H new ATOM 0 HA HIS A 95 -5.698 13.014 -3.301 1.00 0.89 H new ATOM 0 HB2 HIS A 95 -4.113 13.137 -5.144 1.00 0.75 H new ATOM 0 HB3 HIS A 95 -5.348 13.656 -6.275 1.00 0.75 H new ATOM 0 HD1 HIS A 95 -5.483 16.284 -6.652 1.00 1.33 H new ATOM 0 HD2 HIS A 95 -3.640 15.103 -3.057 1.00 0.92 H new ATOM 0 HE1 HIS A 95 -4.699 18.421 -5.485 1.00 1.49 H new ATOM 1525 N GLU A 96 -7.891 14.610 -5.182 1.00 1.08 N ATOM 1526 CA GLU A 96 -8.792 15.738 -5.341 1.00 1.15 C ATOM 1527 C GLU A 96 -9.861 15.756 -4.245 1.00 1.23 C ATOM 1528 O GLU A 96 -10.124 16.786 -3.629 1.00 1.38 O ATOM 1529 CB GLU A 96 -9.412 15.608 -6.742 1.00 1.14 C ATOM 1530 CG GLU A 96 -9.255 16.874 -7.558 1.00 1.38 C ATOM 1531 CD GLU A 96 -7.953 16.824 -8.367 1.00 1.48 C ATOM 1532 OE1 GLU A 96 -6.837 16.794 -7.791 1.00 2.80 O ATOM 1533 OE2 GLU A 96 -8.021 16.732 -9.609 1.00 1.70 O ATOM 0 H GLU A 96 -7.897 13.986 -5.989 1.00 1.08 H new ATOM 0 HA GLU A 96 -8.257 16.683 -5.245 1.00 1.15 H new ATOM 0 HB2 GLU A 96 -8.943 14.778 -7.269 1.00 1.14 H new ATOM 0 HB3 GLU A 96 -10.471 15.368 -6.648 1.00 1.14 H new ATOM 0 HG2 GLU A 96 -10.105 16.990 -8.230 1.00 1.38 H new ATOM 0 HG3 GLU A 96 -9.249 17.742 -6.899 1.00 1.38 H new ATOM 1540 N GLN A 97 -10.458 14.592 -4.002 1.00 1.17 N ATOM 1541 CA GLN A 97 -11.359 14.291 -2.869 1.00 1.25 C ATOM 1542 C GLN A 97 -10.834 14.840 -1.542 1.00 1.27 C ATOM 1543 O GLN A 97 -11.544 15.547 -0.826 1.00 1.36 O ATOM 1544 CB GLN A 97 -11.547 12.773 -2.711 1.00 1.30 C ATOM 1545 CG GLN A 97 -11.765 12.085 -4.047 1.00 1.29 C ATOM 1546 CD GLN A 97 -12.299 10.684 -3.920 1.00 1.56 C ATOM 1547 OE1 GLN A 97 -11.586 9.694 -3.841 1.00 1.93 O ATOM 1548 NE2 GLN A 97 -13.597 10.589 -3.943 1.00 1.68 N ATOM 0 H GLN A 97 -10.327 13.787 -4.614 1.00 1.17 H new ATOM 0 HA GLN A 97 -12.307 14.776 -3.102 1.00 1.25 H new ATOM 0 HB2 GLN A 97 -10.670 12.348 -2.223 1.00 1.30 H new ATOM 0 HB3 GLN A 97 -12.399 12.579 -2.060 1.00 1.30 H new ATOM 0 HG2 GLN A 97 -12.459 12.677 -4.643 1.00 1.29 H new ATOM 0 HG3 GLN A 97 -10.821 12.058 -4.591 1.00 1.29 H new ATOM 0 HE21 GLN A 97 -14.169 11.431 -4.009 1.00 1.68 H new ATOM 0 HE22 GLN A 97 -14.042 9.673 -3.895 1.00 1.68 H new ATOM 1557 N GLU A 98 -9.580 14.513 -1.228 1.00 1.26 N ATOM 1558 CA GLU A 98 -8.980 14.810 0.067 1.00 1.37 C ATOM 1559 C GLU A 98 -8.599 16.286 0.174 1.00 1.41 C ATOM 1560 O GLU A 98 -8.869 16.925 1.187 1.00 1.53 O ATOM 1561 CB GLU A 98 -7.760 13.914 0.281 1.00 1.64 C ATOM 1562 CG GLU A 98 -8.078 12.408 0.269 1.00 2.15 C ATOM 1563 CD GLU A 98 -9.221 11.959 1.191 1.00 3.66 C ATOM 1564 OE1 GLU A 98 -9.057 11.962 2.430 1.00 4.50 O ATOM 1565 OE2 GLU A 98 -10.263 11.472 0.690 1.00 4.72 O ATOM 0 H GLU A 98 -8.951 14.032 -1.871 1.00 1.26 H new ATOM 0 HA GLU A 98 -9.712 14.607 0.848 1.00 1.37 H new ATOM 0 HB2 GLU A 98 -7.026 14.126 -0.496 1.00 1.64 H new ATOM 0 HB3 GLU A 98 -7.297 14.169 1.234 1.00 1.64 H new ATOM 0 HG2 GLU A 98 -8.324 12.116 -0.752 1.00 2.15 H new ATOM 0 HG3 GLU A 98 -7.176 11.863 0.548 1.00 2.15 H new ATOM 1572 N GLN A 99 -8.065 16.866 -0.900 1.00 1.49 N ATOM 1573 CA GLN A 99 -7.771 18.303 -0.967 1.00 1.72 C ATOM 1574 C GLN A 99 -9.011 19.213 -0.867 1.00 1.82 C ATOM 1575 O GLN A 99 -8.891 20.397 -0.545 1.00 2.13 O ATOM 1576 CB GLN A 99 -6.924 18.617 -2.206 1.00 1.90 C ATOM 1577 CG GLN A 99 -7.677 19.159 -3.436 1.00 1.88 C ATOM 1578 CD GLN A 99 -7.326 20.618 -3.742 1.00 2.43 C ATOM 1579 OE1 GLN A 99 -6.665 20.912 -4.722 1.00 2.89 O ATOM 1580 NE2 GLN A 99 -7.708 21.579 -2.918 1.00 2.59 N ATOM 0 H GLN A 99 -7.823 16.356 -1.750 1.00 1.49 H new ATOM 0 HA GLN A 99 -7.192 18.538 -0.074 1.00 1.72 H new ATOM 0 HB2 GLN A 99 -6.164 19.345 -1.924 1.00 1.90 H new ATOM 0 HB3 GLN A 99 -6.400 17.707 -2.500 1.00 1.90 H new ATOM 0 HG2 GLN A 99 -7.441 18.542 -4.303 1.00 1.88 H new ATOM 0 HG3 GLN A 99 -8.751 19.075 -3.267 1.00 1.88 H new ATOM 0 HE21 GLN A 99 -8.262 21.352 -2.092 1.00 2.59 H new ATOM 0 HE22 GLN A 99 -7.449 22.547 -3.108 1.00 2.59 H new ATOM 1589 N GLN A 100 -10.186 18.673 -1.197 1.00 1.68 N ATOM 1590 CA GLN A 100 -11.496 19.311 -1.008 1.00 1.94 C ATOM 1591 C GLN A 100 -12.162 18.890 0.311 1.00 2.00 C ATOM 1592 O GLN A 100 -13.215 19.404 0.678 1.00 2.17 O ATOM 1593 CB GLN A 100 -12.402 18.900 -2.168 1.00 1.92 C ATOM 1594 CG GLN A 100 -11.912 19.428 -3.520 1.00 1.94 C ATOM 1595 CD GLN A 100 -12.727 18.815 -4.653 1.00 1.94 C ATOM 1596 OE1 GLN A 100 -13.629 19.417 -5.207 1.00 2.73 O ATOM 1597 NE2 GLN A 100 -12.457 17.585 -5.024 1.00 2.01 N ATOM 0 H GLN A 100 -10.257 17.747 -1.618 1.00 1.68 H new ATOM 0 HA GLN A 100 -11.347 20.390 -0.976 1.00 1.94 H new ATOM 0 HB2 GLN A 100 -12.462 17.812 -2.208 1.00 1.92 H new ATOM 0 HB3 GLN A 100 -13.411 19.269 -1.983 1.00 1.92 H new ATOM 0 HG2 GLN A 100 -11.998 20.514 -3.547 1.00 1.94 H new ATOM 0 HG3 GLN A 100 -10.857 19.189 -3.651 1.00 1.94 H new ATOM 0 HE21 GLN A 100 -11.704 17.069 -4.569 1.00 2.01 H new ATOM 0 HE22 GLN A 100 -13.000 17.146 -5.767 1.00 2.01 H new ATOM 1606 N SER A 101 -11.575 17.903 0.980 1.00 1.92 N ATOM 1607 CA SER A 101 -12.058 17.221 2.183 1.00 2.00 C ATOM 1608 C SER A 101 -13.476 16.643 2.004 1.00 2.11 C ATOM 1609 O SER A 101 -14.258 16.567 2.955 1.00 2.43 O ATOM 1610 CB SER A 101 -11.937 18.147 3.406 1.00 2.42 C ATOM 1611 OG SER A 101 -12.301 17.458 4.588 1.00 2.46 O ATOM 0 H SER A 101 -10.678 17.527 0.673 1.00 1.92 H new ATOM 0 HA SER A 101 -11.419 16.356 2.361 1.00 2.00 H new ATOM 0 HB2 SER A 101 -10.914 18.514 3.492 1.00 2.42 H new ATOM 0 HB3 SER A 101 -12.578 19.019 3.274 1.00 2.42 H new ATOM 0 HG SER A 101 -13.129 16.957 4.433 1.00 2.46 H new ATOM 1677 N TYR B 108 -16.417 6.353 1.808 1.00 0.93 N ATOM 1678 CA TYR B 108 -15.531 5.184 1.650 1.00 0.81 C ATOM 1679 C TYR B 108 -15.441 4.400 2.973 1.00 0.91 C ATOM 1680 O TYR B 108 -15.408 5.009 4.048 1.00 1.21 O ATOM 1681 CB TYR B 108 -14.108 5.513 1.160 1.00 0.88 C ATOM 1682 CG TYR B 108 -13.954 5.949 -0.281 1.00 0.95 C ATOM 1683 CD1 TYR B 108 -14.153 5.027 -1.325 1.00 1.75 C ATOM 1684 CD2 TYR B 108 -13.528 7.253 -0.585 1.00 2.10 C ATOM 1685 CE1 TYR B 108 -13.995 5.417 -2.666 1.00 1.81 C ATOM 1686 CE2 TYR B 108 -13.393 7.661 -1.923 1.00 2.19 C ATOM 1687 CZ TYR B 108 -13.641 6.748 -2.972 1.00 1.23 C ATOM 1688 OH TYR B 108 -13.547 7.128 -4.273 1.00 1.39 O ATOM 0 HA TYR B 108 -15.992 4.583 0.867 1.00 0.81 H new ATOM 0 HB2 TYR B 108 -13.706 6.302 1.796 1.00 0.88 H new ATOM 0 HB3 TYR B 108 -13.486 4.631 1.314 1.00 0.88 H new ATOM 0 HD1 TYR B 108 -14.430 4.009 -1.094 1.00 1.75 H new ATOM 0 HD2 TYR B 108 -13.303 7.945 0.213 1.00 2.10 H new ATOM 0 HE1 TYR B 108 -14.144 4.700 -3.460 1.00 1.81 H new ATOM 0 HE2 TYR B 108 -13.099 8.675 -2.150 1.00 2.19 H new ATOM 0 HH TYR B 108 -12.973 7.919 -4.342 1.00 1.39 H new ATOM 1698 N THR B 109 -15.291 3.069 2.887 1.00 0.98 N ATOM 1699 CA THR B 109 -14.869 2.201 4.012 1.00 1.09 C ATOM 1700 C THR B 109 -13.506 2.645 4.543 1.00 1.03 C ATOM 1701 O THR B 109 -12.775 3.356 3.851 1.00 0.97 O ATOM 1702 CB THR B 109 -14.809 0.726 3.591 1.00 1.19 C ATOM 1703 OG1 THR B 109 -13.925 0.599 2.504 1.00 1.15 O ATOM 1704 CG2 THR B 109 -16.168 0.162 3.173 1.00 1.54 C ATOM 0 H THR B 109 -15.460 2.552 2.024 1.00 0.98 H new ATOM 0 HA THR B 109 -15.613 2.299 4.802 1.00 1.09 H new ATOM 0 HB THR B 109 -14.472 0.161 4.460 1.00 1.19 H new ATOM 0 HG1 THR B 109 -14.346 0.959 1.696 1.00 1.15 H new ATOM 0 HG21 THR B 109 -16.056 -0.884 2.887 1.00 1.54 H new ATOM 0 HG22 THR B 109 -16.865 0.237 4.007 1.00 1.54 H new ATOM 0 HG23 THR B 109 -16.553 0.730 2.326 1.00 1.54 H new ATOM 1712 N GLU B 110 -13.097 2.213 5.740 1.00 1.06 N ATOM 1713 CA GLU B 110 -11.729 2.480 6.214 1.00 0.95 C ATOM 1714 C GLU B 110 -10.663 1.824 5.327 1.00 0.89 C ATOM 1715 O GLU B 110 -9.571 2.368 5.159 1.00 0.75 O ATOM 1716 CB GLU B 110 -11.540 2.160 7.685 1.00 0.95 C ATOM 1717 CG GLU B 110 -11.219 0.712 7.989 1.00 0.98 C ATOM 1718 CD GLU B 110 -12.477 -0.139 8.122 1.00 1.77 C ATOM 1719 OE1 GLU B 110 -13.286 -0.115 7.163 1.00 3.26 O ATOM 1720 OE2 GLU B 110 -12.597 -0.792 9.179 1.00 2.26 O ATOM 0 H GLU B 110 -13.679 1.686 6.391 1.00 1.06 H new ATOM 0 HA GLU B 110 -11.585 3.557 6.123 1.00 0.95 H new ATOM 0 HB2 GLU B 110 -10.737 2.784 8.077 1.00 0.95 H new ATOM 0 HB3 GLU B 110 -12.448 2.435 8.221 1.00 0.95 H new ATOM 0 HG2 GLU B 110 -10.590 0.307 7.197 1.00 0.98 H new ATOM 0 HG3 GLU B 110 -10.644 0.655 8.913 1.00 0.98 H new ATOM 1727 N LEU B 111 -10.980 0.655 4.757 1.00 1.07 N ATOM 1728 CA LEU B 111 -10.113 -0.097 3.848 1.00 1.10 C ATOM 1729 C LEU B 111 -9.806 0.727 2.595 1.00 1.03 C ATOM 1730 O LEU B 111 -8.644 0.995 2.279 1.00 0.99 O ATOM 1731 CB LEU B 111 -10.805 -1.449 3.567 1.00 1.29 C ATOM 1732 CG LEU B 111 -10.059 -2.456 2.666 1.00 1.38 C ATOM 1733 CD1 LEU B 111 -10.164 -2.120 1.173 1.00 1.42 C ATOM 1734 CD2 LEU B 111 -8.583 -2.577 3.055 1.00 1.35 C ATOM 0 H LEU B 111 -11.875 0.194 4.922 1.00 1.07 H new ATOM 0 HA LEU B 111 -9.138 -0.302 4.289 1.00 1.10 H new ATOM 0 HB2 LEU B 111 -10.999 -1.933 4.524 1.00 1.29 H new ATOM 0 HB3 LEU B 111 -11.774 -1.243 3.112 1.00 1.29 H new ATOM 0 HG LEU B 111 -10.556 -3.412 2.830 1.00 1.38 H new ATOM 0 HD11 LEU B 111 -9.619 -2.865 0.593 1.00 1.42 H new ATOM 0 HD12 LEU B 111 -11.212 -2.122 0.873 1.00 1.42 H new ATOM 0 HD13 LEU B 111 -9.736 -1.134 0.991 1.00 1.42 H new ATOM 0 HD21 LEU B 111 -8.091 -3.295 2.398 1.00 1.35 H new ATOM 0 HD22 LEU B 111 -8.100 -1.605 2.956 1.00 1.35 H new ATOM 0 HD23 LEU B 111 -8.506 -2.918 4.088 1.00 1.35 H new ATOM 1746 N GLU B 112 -10.858 1.186 1.927 1.00 1.02 N ATOM 1747 CA GLU B 112 -10.785 2.167 0.841 1.00 0.94 C ATOM 1748 C GLU B 112 -10.033 3.439 1.299 1.00 0.80 C ATOM 1749 O GLU B 112 -8.974 3.756 0.745 1.00 0.78 O ATOM 1750 CB GLU B 112 -12.208 2.468 0.347 1.00 0.97 C ATOM 1751 CG GLU B 112 -12.841 1.316 -0.451 1.00 1.33 C ATOM 1752 CD GLU B 112 -14.351 1.477 -0.676 1.00 1.65 C ATOM 1753 OE1 GLU B 112 -15.075 1.789 0.301 1.00 2.89 O ATOM 1754 OE2 GLU B 112 -14.805 1.314 -1.832 1.00 2.04 O ATOM 0 H GLU B 112 -11.811 0.881 2.128 1.00 1.02 H new ATOM 0 HA GLU B 112 -10.214 1.760 0.007 1.00 0.94 H new ATOM 0 HB2 GLU B 112 -12.841 2.695 1.205 1.00 0.97 H new ATOM 0 HB3 GLU B 112 -12.185 3.361 -0.277 1.00 0.97 H new ATOM 0 HG2 GLU B 112 -12.345 1.240 -1.418 1.00 1.33 H new ATOM 0 HG3 GLU B 112 -12.659 0.379 0.075 1.00 1.33 H new ATOM 1761 N LYS B 113 -10.475 4.131 2.363 1.00 0.74 N ATOM 1762 CA LYS B 113 -9.727 5.261 2.930 1.00 0.64 C ATOM 1763 C LYS B 113 -8.240 4.984 3.195 1.00 0.58 C ATOM 1764 O LYS B 113 -7.458 5.911 3.027 1.00 0.61 O ATOM 1765 CB LYS B 113 -10.376 5.792 4.220 1.00 0.72 C ATOM 1766 CG LYS B 113 -11.718 6.507 4.027 1.00 0.91 C ATOM 1767 CD LYS B 113 -11.683 7.740 3.112 1.00 1.03 C ATOM 1768 CE LYS B 113 -10.801 8.875 3.658 1.00 1.35 C ATOM 1769 NZ LYS B 113 -10.996 10.148 2.918 1.00 2.01 N ATOM 0 H LYS B 113 -11.349 3.925 2.847 1.00 0.74 H new ATOM 0 HA LYS B 113 -9.774 6.018 2.147 1.00 0.64 H new ATOM 0 HB2 LYS B 113 -10.522 4.957 4.905 1.00 0.72 H new ATOM 0 HB3 LYS B 113 -9.681 6.481 4.701 1.00 0.72 H new ATOM 0 HG2 LYS B 113 -12.435 5.794 3.620 1.00 0.91 H new ATOM 0 HG3 LYS B 113 -12.092 6.812 5.005 1.00 0.91 H new ATOM 0 HD2 LYS B 113 -11.316 7.445 2.129 1.00 1.03 H new ATOM 0 HD3 LYS B 113 -12.698 8.112 2.975 1.00 1.03 H new ATOM 0 HE2 LYS B 113 -11.027 9.032 4.713 1.00 1.35 H new ATOM 0 HE3 LYS B 113 -9.754 8.579 3.597 1.00 1.35 H new ATOM 0 HZ1 LYS B 113 -10.237 10.814 3.167 1.00 2.01 H new ATOM 0 HZ2 LYS B 113 -10.971 9.962 1.895 1.00 2.01 H new ATOM 0 HZ3 LYS B 113 -11.916 10.560 3.173 1.00 2.01 H new ATOM 1783 N ALA B 114 -7.786 3.777 3.542 1.00 0.56 N ATOM 1784 CA ALA B 114 -6.359 3.517 3.748 1.00 0.55 C ATOM 1785 C ALA B 114 -5.514 3.617 2.470 1.00 0.55 C ATOM 1786 O ALA B 114 -4.421 4.182 2.518 1.00 0.55 O ATOM 1787 CB ALA B 114 -6.194 2.152 4.390 1.00 0.52 C ATOM 0 H ALA B 114 -8.386 2.965 3.686 1.00 0.56 H new ATOM 0 HA ALA B 114 -5.983 4.301 4.405 1.00 0.55 H new ATOM 0 HB1 ALA B 114 -5.135 1.950 4.547 1.00 0.52 H new ATOM 0 HB2 ALA B 114 -6.713 2.136 5.348 1.00 0.52 H new ATOM 0 HB3 ALA B 114 -6.616 1.389 3.736 1.00 0.52 H new ATOM 1793 N VAL B 115 -6.033 3.169 1.325 1.00 0.59 N ATOM 1794 CA VAL B 115 -5.373 3.367 0.025 1.00 0.61 C ATOM 1795 C VAL B 115 -5.272 4.872 -0.268 1.00 0.65 C ATOM 1796 O VAL B 115 -4.224 5.381 -0.673 1.00 0.71 O ATOM 1797 CB VAL B 115 -6.174 2.624 -1.070 1.00 0.62 C ATOM 1798 CG1 VAL B 115 -5.683 2.965 -2.474 1.00 0.67 C ATOM 1799 CG2 VAL B 115 -6.095 1.102 -0.860 1.00 0.61 C ATOM 0 H VAL B 115 -6.916 2.662 1.268 1.00 0.59 H new ATOM 0 HA VAL B 115 -4.363 2.958 0.042 1.00 0.61 H new ATOM 0 HB VAL B 115 -7.209 2.956 -0.982 1.00 0.62 H new ATOM 0 HG11 VAL B 115 -6.275 2.420 -3.209 1.00 0.67 H new ATOM 0 HG12 VAL B 115 -5.788 4.036 -2.646 1.00 0.67 H new ATOM 0 HG13 VAL B 115 -4.635 2.683 -2.571 1.00 0.67 H new ATOM 0 HG21 VAL B 115 -6.665 0.597 -1.640 1.00 0.61 H new ATOM 0 HG22 VAL B 115 -5.054 0.782 -0.906 1.00 0.61 H new ATOM 0 HG23 VAL B 115 -6.510 0.847 0.115 1.00 0.61 H new ATOM 1809 N ILE B 116 -6.360 5.596 0.026 1.00 0.65 N ATOM 1810 CA ILE B 116 -6.419 7.054 -0.034 1.00 0.70 C ATOM 1811 C ILE B 116 -5.420 7.708 0.941 1.00 0.70 C ATOM 1812 O ILE B 116 -4.646 8.542 0.488 1.00 0.73 O ATOM 1813 CB ILE B 116 -7.883 7.528 0.130 1.00 0.73 C ATOM 1814 CG1 ILE B 116 -8.806 6.838 -0.912 1.00 0.85 C ATOM 1815 CG2 ILE B 116 -7.925 9.053 0.064 1.00 0.71 C ATOM 1816 CD1 ILE B 116 -10.175 7.467 -1.159 1.00 0.83 C ATOM 0 H ILE B 116 -7.240 5.171 0.318 1.00 0.65 H new ATOM 0 HA ILE B 116 -6.094 7.392 -1.018 1.00 0.70 H new ATOM 0 HB ILE B 116 -8.269 7.233 1.106 1.00 0.73 H new ATOM 0 HG12 ILE B 116 -8.274 6.803 -1.863 1.00 0.85 H new ATOM 0 HG13 ILE B 116 -8.961 5.807 -0.595 1.00 0.85 H new ATOM 0 HG21 ILE B 116 -8.954 9.394 0.179 1.00 0.71 H new ATOM 0 HG22 ILE B 116 -7.313 9.469 0.865 1.00 0.71 H new ATOM 0 HG23 ILE B 116 -7.538 9.386 -0.899 1.00 0.71 H new ATOM 0 HD11 ILE B 116 -10.713 6.885 -1.907 1.00 0.83 H new ATOM 0 HD12 ILE B 116 -10.744 7.477 -0.229 1.00 0.83 H new ATOM 0 HD13 ILE B 116 -10.047 8.489 -1.517 1.00 0.83 H new ATOM 1828 N VAL B 117 -5.312 7.286 2.207 1.00 0.66 N ATOM 1829 CA VAL B 117 -4.421 7.890 3.225 1.00 0.69 C ATOM 1830 C VAL B 117 -2.960 7.878 2.754 1.00 0.71 C ATOM 1831 O VAL B 117 -2.263 8.888 2.844 1.00 0.76 O ATOM 1832 CB VAL B 117 -4.573 7.148 4.579 1.00 0.67 C ATOM 1833 CG1 VAL B 117 -3.405 7.340 5.546 1.00 0.70 C ATOM 1834 CG2 VAL B 117 -5.844 7.551 5.333 1.00 0.70 C ATOM 0 H VAL B 117 -5.850 6.498 2.567 1.00 0.66 H new ATOM 0 HA VAL B 117 -4.715 8.930 3.366 1.00 0.69 H new ATOM 0 HB VAL B 117 -4.612 6.102 4.275 1.00 0.67 H new ATOM 0 HG11 VAL B 117 -3.598 6.786 6.464 1.00 0.70 H new ATOM 0 HG12 VAL B 117 -2.488 6.972 5.086 1.00 0.70 H new ATOM 0 HG13 VAL B 117 -3.295 8.399 5.778 1.00 0.70 H new ATOM 0 HG21 VAL B 117 -5.899 7.001 6.273 1.00 0.70 H new ATOM 0 HG22 VAL B 117 -5.821 8.621 5.539 1.00 0.70 H new ATOM 0 HG23 VAL B 117 -6.718 7.318 4.724 1.00 0.70 H new ATOM 1844 N LEU B 118 -2.524 6.757 2.167 1.00 0.70 N ATOM 1845 CA LEU B 118 -1.196 6.644 1.548 1.00 0.73 C ATOM 1846 C LEU B 118 -0.990 7.576 0.334 1.00 0.75 C ATOM 1847 O LEU B 118 0.125 8.053 0.128 1.00 0.85 O ATOM 1848 CB LEU B 118 -0.945 5.170 1.159 1.00 0.70 C ATOM 1849 CG LEU B 118 -0.020 4.371 2.099 1.00 0.72 C ATOM 1850 CD1 LEU B 118 1.378 4.995 2.242 1.00 0.76 C ATOM 1851 CD2 LEU B 118 -0.649 4.114 3.466 1.00 0.72 C ATOM 0 H LEU B 118 -3.080 5.904 2.107 1.00 0.70 H new ATOM 0 HA LEU B 118 -0.466 6.972 2.288 1.00 0.73 H new ATOM 0 HB2 LEU B 118 -1.907 4.660 1.108 1.00 0.70 H new ATOM 0 HB3 LEU B 118 -0.518 5.147 0.156 1.00 0.70 H new ATOM 0 HG LEU B 118 0.111 3.404 1.614 1.00 0.72 H new ATOM 0 HD11 LEU B 118 1.981 4.386 2.916 1.00 0.76 H new ATOM 0 HD12 LEU B 118 1.859 5.039 1.265 1.00 0.76 H new ATOM 0 HD13 LEU B 118 1.287 6.003 2.647 1.00 0.76 H new ATOM 0 HD21 LEU B 118 0.046 3.548 4.086 1.00 0.72 H new ATOM 0 HD22 LEU B 118 -0.873 5.066 3.948 1.00 0.72 H new ATOM 0 HD23 LEU B 118 -1.570 3.545 3.341 1.00 0.72 H new ATOM 1863 N VAL B 119 -2.042 7.850 -0.441 1.00 0.72 N ATOM 1864 CA VAL B 119 -2.009 8.770 -1.599 1.00 0.76 C ATOM 1865 C VAL B 119 -1.998 10.243 -1.163 1.00 0.73 C ATOM 1866 O VAL B 119 -1.363 11.054 -1.833 1.00 0.72 O ATOM 1867 CB VAL B 119 -3.165 8.462 -2.588 1.00 0.91 C ATOM 1868 CG1 VAL B 119 -3.524 9.604 -3.557 1.00 1.10 C ATOM 1869 CG2 VAL B 119 -2.784 7.246 -3.450 1.00 1.28 C ATOM 0 H VAL B 119 -2.961 7.435 -0.285 1.00 0.72 H new ATOM 0 HA VAL B 119 -1.072 8.599 -2.129 1.00 0.76 H new ATOM 0 HB VAL B 119 -4.036 8.291 -1.955 1.00 0.91 H new ATOM 0 HG11 VAL B 119 -4.342 9.288 -4.204 1.00 1.10 H new ATOM 0 HG12 VAL B 119 -3.830 10.482 -2.988 1.00 1.10 H new ATOM 0 HG13 VAL B 119 -2.654 9.852 -4.166 1.00 1.10 H new ATOM 0 HG21 VAL B 119 -3.593 7.026 -4.146 1.00 1.28 H new ATOM 0 HG22 VAL B 119 -1.874 7.467 -4.009 1.00 1.28 H new ATOM 0 HG23 VAL B 119 -2.614 6.383 -2.807 1.00 1.28 H new ATOM 1879 N GLU B 120 -2.630 10.588 -0.034 1.00 0.76 N ATOM 1880 CA GLU B 120 -2.601 11.937 0.549 1.00 0.77 C ATOM 1881 C GLU B 120 -1.155 12.451 0.702 1.00 0.72 C ATOM 1882 O GLU B 120 -0.750 13.412 0.044 1.00 0.75 O ATOM 1883 CB GLU B 120 -3.344 11.917 1.906 1.00 0.90 C ATOM 1884 CG GLU B 120 -4.404 13.011 2.008 1.00 1.11 C ATOM 1885 CD GLU B 120 -3.834 14.419 1.866 1.00 2.17 C ATOM 1886 OE1 GLU B 120 -2.750 14.725 2.412 1.00 2.45 O ATOM 1887 OE2 GLU B 120 -4.469 15.255 1.187 1.00 3.63 O ATOM 0 H GLU B 120 -3.185 9.927 0.510 1.00 0.76 H new ATOM 0 HA GLU B 120 -3.108 12.629 -0.123 1.00 0.77 H new ATOM 0 HB2 GLU B 120 -3.816 10.944 2.044 1.00 0.90 H new ATOM 0 HB3 GLU B 120 -2.622 12.038 2.714 1.00 0.90 H new ATOM 0 HG2 GLU B 120 -5.156 12.851 1.235 1.00 1.11 H new ATOM 0 HG3 GLU B 120 -4.911 12.927 2.969 1.00 1.11 H new ATOM 1894 N ASN B 121 -0.341 11.723 1.478 1.00 0.75 N ATOM 1895 CA ASN B 121 1.080 12.021 1.703 1.00 0.80 C ATOM 1896 C ASN B 121 1.895 12.137 0.399 1.00 0.87 C ATOM 1897 O ASN B 121 2.693 13.070 0.258 1.00 1.13 O ATOM 1898 CB ASN B 121 1.670 10.925 2.603 1.00 0.96 C ATOM 1899 CG ASN B 121 3.173 11.102 2.782 1.00 1.71 C ATOM 1900 OD1 ASN B 121 3.954 10.670 1.949 1.00 3.12 O ATOM 1901 ND2 ASN B 121 3.595 11.773 3.832 1.00 1.75 N ATOM 0 H ASN B 121 -0.659 10.893 1.978 1.00 0.75 H new ATOM 0 HA ASN B 121 1.143 12.998 2.182 1.00 0.80 H new ATOM 0 HB2 ASN B 121 1.181 10.949 3.577 1.00 0.96 H new ATOM 0 HB3 ASN B 121 1.467 9.946 2.168 1.00 0.96 H new ATOM 0 HD21 ASN B 121 4.593 11.941 3.962 1.00 1.75 H new ATOM 0 HD22 ASN B 121 2.925 12.125 4.516 1.00 1.75 H new ATOM 1908 N PHE B 122 1.676 11.210 -0.547 1.00 0.72 N ATOM 1909 CA PHE B 122 2.344 11.196 -1.846 1.00 0.72 C ATOM 1910 C PHE B 122 2.192 12.564 -2.526 1.00 0.72 C ATOM 1911 O PHE B 122 3.185 13.265 -2.704 1.00 0.80 O ATOM 1912 CB PHE B 122 1.797 10.028 -2.688 1.00 0.76 C ATOM 1913 CG PHE B 122 2.354 9.936 -4.096 1.00 0.83 C ATOM 1914 CD1 PHE B 122 1.737 10.635 -5.152 1.00 1.96 C ATOM 1915 CD2 PHE B 122 3.483 9.142 -4.358 1.00 1.55 C ATOM 1916 CE1 PHE B 122 2.261 10.561 -6.454 1.00 2.02 C ATOM 1917 CE2 PHE B 122 3.997 9.049 -5.663 1.00 1.68 C ATOM 1918 CZ PHE B 122 3.387 9.761 -6.710 1.00 1.15 C ATOM 0 H PHE B 122 1.019 10.440 -0.423 1.00 0.72 H new ATOM 0 HA PHE B 122 3.415 11.029 -1.728 1.00 0.72 H new ATOM 0 HB2 PHE B 122 2.010 9.094 -2.168 1.00 0.76 H new ATOM 0 HB3 PHE B 122 0.713 10.120 -2.748 1.00 0.76 H new ATOM 0 HD1 PHE B 122 0.857 11.231 -4.960 1.00 1.96 H new ATOM 0 HD2 PHE B 122 3.958 8.601 -3.553 1.00 1.55 H new ATOM 0 HE1 PHE B 122 1.799 11.118 -7.256 1.00 2.02 H new ATOM 0 HE2 PHE B 122 4.860 8.431 -5.861 1.00 1.68 H new ATOM 0 HZ PHE B 122 3.784 9.693 -7.712 1.00 1.15 H new ATOM 1928 N TYR B 123 0.959 12.999 -2.807 1.00 0.69 N ATOM 1929 CA TYR B 123 0.677 14.320 -3.381 1.00 0.75 C ATOM 1930 C TYR B 123 1.180 15.468 -2.490 1.00 0.78 C ATOM 1931 O TYR B 123 1.770 16.420 -3.009 1.00 0.90 O ATOM 1932 CB TYR B 123 -0.823 14.465 -3.680 1.00 0.73 C ATOM 1933 CG TYR B 123 -1.264 13.806 -4.977 1.00 0.76 C ATOM 1934 CD1 TYR B 123 -1.496 12.418 -5.014 1.00 1.77 C ATOM 1935 CD2 TYR B 123 -1.449 14.568 -6.146 1.00 1.70 C ATOM 1936 CE1 TYR B 123 -1.902 11.791 -6.204 1.00 1.92 C ATOM 1937 CE2 TYR B 123 -1.840 13.947 -7.351 1.00 1.61 C ATOM 1938 CZ TYR B 123 -2.058 12.554 -7.381 1.00 0.86 C ATOM 1939 OH TYR B 123 -2.402 11.932 -8.541 1.00 0.97 O ATOM 0 H TYR B 123 0.122 12.440 -2.641 1.00 0.69 H new ATOM 0 HA TYR B 123 1.229 14.391 -4.318 1.00 0.75 H new ATOM 0 HB2 TYR B 123 -1.390 14.034 -2.855 1.00 0.73 H new ATOM 0 HB3 TYR B 123 -1.074 15.525 -3.720 1.00 0.73 H new ATOM 0 HD1 TYR B 123 -1.361 11.829 -4.119 1.00 1.77 H new ATOM 0 HD2 TYR B 123 -1.290 15.636 -6.120 1.00 1.70 H new ATOM 0 HE1 TYR B 123 -2.094 10.728 -6.218 1.00 1.92 H new ATOM 0 HE2 TYR B 123 -1.972 14.536 -8.247 1.00 1.61 H new ATOM 0 HH TYR B 123 -1.787 11.188 -8.708 1.00 0.97 H new ATOM 1949 N LYS B 124 1.045 15.372 -1.159 1.00 0.75 N ATOM 1950 CA LYS B 124 1.546 16.385 -0.222 1.00 0.94 C ATOM 1951 C LYS B 124 3.044 16.690 -0.404 1.00 1.03 C ATOM 1952 O LYS B 124 3.424 17.862 -0.457 1.00 1.19 O ATOM 1953 CB LYS B 124 1.236 15.968 1.226 1.00 1.11 C ATOM 1954 CG LYS B 124 0.920 17.187 2.104 1.00 1.92 C ATOM 1955 CD LYS B 124 -0.568 17.259 2.412 1.00 2.46 C ATOM 1956 CE LYS B 124 -1.372 17.449 1.130 1.00 4.34 C ATOM 1957 NZ LYS B 124 -2.822 17.276 1.361 1.00 5.00 N ATOM 0 H LYS B 124 0.583 14.586 -0.702 1.00 0.75 H new ATOM 0 HA LYS B 124 1.022 17.314 -0.447 1.00 0.94 H new ATOM 0 HB2 LYS B 124 0.389 15.282 1.235 1.00 1.11 H new ATOM 0 HB3 LYS B 124 2.088 15.429 1.641 1.00 1.11 H new ATOM 0 HG2 LYS B 124 1.486 17.128 3.034 1.00 1.92 H new ATOM 0 HG3 LYS B 124 1.235 18.098 1.596 1.00 1.92 H new ATOM 0 HD2 LYS B 124 -0.886 16.346 2.915 1.00 2.46 H new ATOM 0 HD3 LYS B 124 -0.764 18.084 3.096 1.00 2.46 H new ATOM 0 HE2 LYS B 124 -1.184 18.444 0.727 1.00 4.34 H new ATOM 0 HE3 LYS B 124 -1.035 16.733 0.380 1.00 4.34 H new ATOM 0 HZ1 LYS B 124 -3.160 16.443 0.838 1.00 5.00 H new ATOM 0 HZ2 LYS B 124 -2.998 17.142 2.377 1.00 5.00 H new ATOM 0 HZ3 LYS B 124 -3.330 18.121 1.030 1.00 5.00 H new ATOM 1971 N TYR B 125 3.886 15.662 -0.544 1.00 1.04 N ATOM 1972 CA TYR B 125 5.327 15.800 -0.768 1.00 1.25 C ATOM 1973 C TYR B 125 5.704 15.945 -2.254 1.00 1.26 C ATOM 1974 O TYR B 125 6.584 16.738 -2.595 1.00 1.42 O ATOM 1975 CB TYR B 125 6.055 14.609 -0.132 1.00 1.32 C ATOM 1976 CG TYR B 125 7.550 14.695 -0.361 1.00 1.64 C ATOM 1977 CD1 TYR B 125 8.346 15.532 0.446 1.00 2.48 C ATOM 1978 CD2 TYR B 125 8.118 14.037 -1.464 1.00 2.34 C ATOM 1979 CE1 TYR B 125 9.716 15.699 0.163 1.00 2.76 C ATOM 1980 CE2 TYR B 125 9.475 14.226 -1.766 1.00 2.65 C ATOM 1981 CZ TYR B 125 10.284 15.046 -0.952 1.00 2.39 C ATOM 1982 OH TYR B 125 11.603 15.214 -1.244 1.00 2.78 O ATOM 0 H TYR B 125 3.578 14.690 -0.504 1.00 1.04 H new ATOM 0 HA TYR B 125 5.643 16.729 -0.293 1.00 1.25 H new ATOM 0 HB2 TYR B 125 5.849 14.583 0.938 1.00 1.32 H new ATOM 0 HB3 TYR B 125 5.673 13.679 -0.553 1.00 1.32 H new ATOM 0 HD1 TYR B 125 7.904 16.048 1.285 1.00 2.48 H new ATOM 0 HD2 TYR B 125 7.512 13.387 -2.078 1.00 2.34 H new ATOM 0 HE1 TYR B 125 10.329 16.324 0.796 1.00 2.76 H new ATOM 0 HE2 TYR B 125 9.904 13.739 -2.629 1.00 2.65 H new ATOM 0 HH TYR B 125 12.103 15.378 -0.417 1.00 2.78 H new ATOM 1992 N VAL B 126 5.029 15.240 -3.163 1.00 1.22 N ATOM 1993 CA VAL B 126 5.257 15.325 -4.615 1.00 1.43 C ATOM 1994 C VAL B 126 5.115 16.766 -5.086 1.00 1.43 C ATOM 1995 O VAL B 126 6.043 17.267 -5.730 1.00 1.47 O ATOM 1996 CB VAL B 126 4.314 14.377 -5.396 1.00 1.63 C ATOM 1997 CG1 VAL B 126 4.143 14.781 -6.871 1.00 2.33 C ATOM 1998 CG2 VAL B 126 4.909 12.962 -5.335 1.00 1.54 C ATOM 0 H VAL B 126 4.293 14.580 -2.911 1.00 1.22 H new ATOM 0 HA VAL B 126 6.276 14.996 -4.820 1.00 1.43 H new ATOM 0 HB VAL B 126 3.328 14.429 -4.934 1.00 1.63 H new ATOM 0 HG11 VAL B 126 3.471 14.079 -7.365 1.00 2.33 H new ATOM 0 HG12 VAL B 126 3.723 15.785 -6.927 1.00 2.33 H new ATOM 0 HG13 VAL B 126 5.113 14.765 -7.367 1.00 2.33 H new ATOM 0 HG21 VAL B 126 4.263 12.272 -5.878 1.00 1.54 H new ATOM 0 HG22 VAL B 126 5.900 12.964 -5.788 1.00 1.54 H new ATOM 0 HG23 VAL B 126 4.986 12.644 -4.295 1.00 1.54 H new ATOM 2008 N SER B 127 4.030 17.445 -4.709 1.00 1.47 N ATOM 2009 CA SER B 127 3.781 18.851 -5.045 1.00 1.66 C ATOM 2010 C SER B 127 4.803 19.805 -4.395 1.00 1.77 C ATOM 2011 O SER B 127 5.146 20.832 -4.976 1.00 2.58 O ATOM 2012 CB SER B 127 2.336 19.204 -4.668 1.00 2.21 C ATOM 2013 OG SER B 127 1.452 18.394 -5.434 1.00 3.22 O ATOM 0 H SER B 127 3.285 17.027 -4.151 1.00 1.47 H new ATOM 0 HA SER B 127 3.912 18.982 -6.119 1.00 1.66 H new ATOM 0 HB2 SER B 127 2.173 19.039 -3.603 1.00 2.21 H new ATOM 0 HB3 SER B 127 2.143 20.259 -4.860 1.00 2.21 H new ATOM 0 HG SER B 127 1.274 17.559 -4.953 1.00 3.22 H new ATOM 2166 N ILE B 136 12.311 14.702 -5.863 1.00 1.47 N ATOM 2167 CA ILE B 136 11.974 13.862 -4.702 1.00 1.22 C ATOM 2168 C ILE B 136 13.336 13.415 -4.124 1.00 1.40 C ATOM 2169 O ILE B 136 14.266 13.186 -4.897 1.00 2.19 O ATOM 2170 CB ILE B 136 11.111 12.652 -5.155 1.00 1.37 C ATOM 2171 CG1 ILE B 136 9.724 13.170 -5.613 1.00 1.86 C ATOM 2172 CG2 ILE B 136 11.024 11.538 -4.086 1.00 1.99 C ATOM 2173 CD1 ILE B 136 8.746 12.098 -6.090 1.00 2.91 C ATOM 0 HA ILE B 136 11.385 14.390 -3.952 1.00 1.22 H new ATOM 0 HB ILE B 136 11.598 12.168 -6.002 1.00 1.37 H new ATOM 0 HG12 ILE B 136 9.267 13.712 -4.785 1.00 1.86 H new ATOM 0 HG13 ILE B 136 9.872 13.887 -6.420 1.00 1.86 H new ATOM 0 HG21 ILE B 136 10.408 10.721 -4.461 1.00 1.99 H new ATOM 0 HG22 ILE B 136 12.025 11.166 -3.865 1.00 1.99 H new ATOM 0 HG23 ILE B 136 10.578 11.940 -3.177 1.00 1.99 H new ATOM 0 HD11 ILE B 136 7.808 12.567 -6.387 1.00 2.91 H new ATOM 0 HD12 ILE B 136 9.173 11.569 -6.942 1.00 2.91 H new ATOM 0 HD13 ILE B 136 8.558 11.391 -5.282 1.00 2.91 H new ATOM 2185 N SER B 137 13.495 13.375 -2.802 1.00 1.03 N ATOM 2186 CA SER B 137 14.836 13.337 -2.173 1.00 1.20 C ATOM 2187 C SER B 137 15.128 12.052 -1.375 1.00 1.18 C ATOM 2188 O SER B 137 15.109 12.057 -0.142 1.00 1.65 O ATOM 2189 CB SER B 137 15.059 14.576 -1.286 1.00 1.62 C ATOM 2190 OG SER B 137 15.075 15.769 -2.053 1.00 2.56 O ATOM 0 H SER B 137 12.721 13.368 -2.138 1.00 1.03 H new ATOM 0 HA SER B 137 15.543 13.342 -3.002 1.00 1.20 H new ATOM 0 HB2 SER B 137 14.270 14.635 -0.536 1.00 1.62 H new ATOM 0 HB3 SER B 137 16.002 14.475 -0.749 1.00 1.62 H new ATOM 0 HG SER B 137 15.217 16.537 -1.461 1.00 2.56 H new ATOM 2196 N LYS B 138 15.480 10.966 -2.081 1.00 1.13 N ATOM 2197 CA LYS B 138 15.769 9.603 -1.578 1.00 1.05 C ATOM 2198 C LYS B 138 16.227 9.506 -0.104 1.00 1.03 C ATOM 2199 O LYS B 138 15.563 8.914 0.747 1.00 1.00 O ATOM 2200 CB LYS B 138 16.841 8.996 -2.516 1.00 1.08 C ATOM 2201 CG LYS B 138 17.125 7.524 -2.176 1.00 2.10 C ATOM 2202 CD LYS B 138 18.418 6.935 -2.757 1.00 2.18 C ATOM 2203 CE LYS B 138 18.456 6.921 -4.287 1.00 1.94 C ATOM 2204 NZ LYS B 138 19.099 5.693 -4.815 1.00 2.33 N ATOM 0 H LYS B 138 15.579 11.016 -3.095 1.00 1.13 H new ATOM 0 HA LYS B 138 14.829 9.052 -1.587 1.00 1.05 H new ATOM 0 HB2 LYS B 138 16.505 9.073 -3.550 1.00 1.08 H new ATOM 0 HB3 LYS B 138 17.763 9.572 -2.437 1.00 1.08 H new ATOM 0 HG2 LYS B 138 17.159 7.423 -1.091 1.00 2.10 H new ATOM 0 HG3 LYS B 138 16.286 6.923 -2.526 1.00 2.10 H new ATOM 0 HD2 LYS B 138 19.267 7.510 -2.387 1.00 2.18 H new ATOM 0 HD3 LYS B 138 18.539 5.916 -2.390 1.00 2.18 H new ATOM 0 HE2 LYS B 138 17.440 6.994 -4.676 1.00 1.94 H new ATOM 0 HE3 LYS B 138 18.998 7.797 -4.644 1.00 1.94 H new ATOM 0 HZ1 LYS B 138 19.319 5.823 -5.823 1.00 2.33 H new ATOM 0 HZ2 LYS B 138 19.977 5.508 -4.290 1.00 2.33 H new ATOM 0 HZ3 LYS B 138 18.452 4.887 -4.703 1.00 2.33 H new ATOM 2218 N SER B 139 17.382 10.086 0.224 1.00 1.36 N ATOM 2219 CA SER B 139 18.029 9.916 1.534 1.00 1.75 C ATOM 2220 C SER B 139 17.316 10.637 2.692 1.00 1.79 C ATOM 2221 O SER B 139 17.470 10.247 3.847 1.00 2.03 O ATOM 2222 CB SER B 139 19.480 10.406 1.431 1.00 2.45 C ATOM 2223 OG SER B 139 20.094 9.857 0.275 1.00 3.50 O ATOM 0 H SER B 139 17.901 10.691 -0.412 1.00 1.36 H new ATOM 0 HA SER B 139 17.979 8.854 1.775 1.00 1.75 H new ATOM 0 HB2 SER B 139 19.503 11.495 1.383 1.00 2.45 H new ATOM 0 HB3 SER B 139 20.036 10.114 2.322 1.00 2.45 H new ATOM 0 HG SER B 139 21.019 10.175 0.214 1.00 3.50 H new ATOM 2229 N SER B 140 16.527 11.670 2.395 1.00 1.81 N ATOM 2230 CA SER B 140 15.700 12.420 3.356 1.00 2.11 C ATOM 2231 C SER B 140 14.285 11.828 3.456 1.00 1.84 C ATOM 2232 O SER B 140 13.784 11.639 4.566 1.00 2.25 O ATOM 2233 CB SER B 140 15.693 13.895 2.911 1.00 2.63 C ATOM 2234 OG SER B 140 14.656 14.686 3.461 1.00 2.50 O ATOM 0 H SER B 140 16.439 12.025 1.443 1.00 1.81 H new ATOM 0 HA SER B 140 16.117 12.348 4.360 1.00 2.11 H new ATOM 0 HB2 SER B 140 16.650 14.343 3.178 1.00 2.63 H new ATOM 0 HB3 SER B 140 15.617 13.930 1.824 1.00 2.63 H new ATOM 0 HG SER B 140 14.731 15.604 3.125 1.00 2.50 H new ATOM 2240 N PHE B 141 13.702 11.414 2.323 1.00 1.38 N ATOM 2241 CA PHE B 141 12.466 10.626 2.208 1.00 1.42 C ATOM 2242 C PHE B 141 12.472 9.388 3.133 1.00 0.96 C ATOM 2243 O PHE B 141 11.435 9.012 3.678 1.00 0.99 O ATOM 2244 CB PHE B 141 12.302 10.291 0.711 1.00 1.67 C ATOM 2245 CG PHE B 141 11.269 9.264 0.274 1.00 1.66 C ATOM 2246 CD1 PHE B 141 10.046 9.089 0.953 1.00 2.93 C ATOM 2247 CD2 PHE B 141 11.533 8.495 -0.879 1.00 1.85 C ATOM 2248 CE1 PHE B 141 9.119 8.131 0.502 1.00 3.02 C ATOM 2249 CE2 PHE B 141 10.588 7.569 -1.349 1.00 1.85 C ATOM 2250 CZ PHE B 141 9.374 7.400 -0.666 1.00 1.82 C ATOM 0 H PHE B 141 14.102 11.632 1.410 1.00 1.38 H new ATOM 0 HA PHE B 141 11.600 11.192 2.552 1.00 1.42 H new ATOM 0 HB2 PHE B 141 12.074 11.222 0.193 1.00 1.67 H new ATOM 0 HB3 PHE B 141 13.272 9.952 0.346 1.00 1.67 H new ATOM 0 HD1 PHE B 141 9.820 9.691 1.821 1.00 2.93 H new ATOM 0 HD2 PHE B 141 12.469 8.619 -1.404 1.00 1.85 H new ATOM 0 HE1 PHE B 141 8.209 7.959 1.057 1.00 3.02 H new ATOM 0 HE2 PHE B 141 10.795 6.987 -2.235 1.00 1.85 H new ATOM 0 HZ PHE B 141 8.636 6.706 -1.041 1.00 1.82 H new ATOM 2260 N ARG B 142 13.652 8.822 3.426 1.00 0.74 N ATOM 2261 CA ARG B 142 13.820 7.810 4.475 1.00 0.78 C ATOM 2262 C ARG B 142 13.334 8.252 5.855 1.00 1.03 C ATOM 2263 O ARG B 142 12.676 7.451 6.508 1.00 1.36 O ATOM 2264 CB ARG B 142 15.287 7.350 4.532 1.00 0.94 C ATOM 2265 CG ARG B 142 15.504 6.239 5.579 1.00 1.29 C ATOM 2266 CD ARG B 142 16.671 5.292 5.265 1.00 1.83 C ATOM 2267 NE ARG B 142 17.958 5.601 5.904 1.00 2.37 N ATOM 2268 CZ ARG B 142 18.839 6.564 5.658 1.00 2.71 C ATOM 2269 NH1 ARG B 142 18.531 7.795 5.302 1.00 3.44 N ATOM 2270 NH2 ARG B 142 20.102 6.230 5.772 1.00 3.81 N ATOM 0 H ARG B 142 14.518 9.055 2.940 1.00 0.74 H new ATOM 0 HA ARG B 142 13.179 6.973 4.198 1.00 0.78 H new ATOM 0 HB2 ARG B 142 15.592 6.987 3.550 1.00 0.94 H new ATOM 0 HB3 ARG B 142 15.925 8.201 4.769 1.00 0.94 H new ATOM 0 HG2 ARG B 142 15.678 6.701 6.551 1.00 1.29 H new ATOM 0 HG3 ARG B 142 14.589 5.653 5.664 1.00 1.29 H new ATOM 0 HD2 ARG B 142 16.379 4.283 5.557 1.00 1.83 H new ATOM 0 HD3 ARG B 142 16.820 5.281 4.185 1.00 1.83 H new ATOM 0 HE ARG B 142 18.218 4.971 6.663 1.00 2.37 H new ATOM 0 HH11 ARG B 142 17.553 8.066 5.197 1.00 3.44 H new ATOM 0 HH12 ARG B 142 19.270 8.477 5.131 1.00 3.44 H new ATOM 0 HH21 ARG B 142 20.356 5.278 6.036 1.00 3.81 H new ATOM 0 HH22 ARG B 142 20.830 6.922 5.597 1.00 3.81 H new ATOM 2284 N GLU B 143 13.662 9.448 6.346 1.00 1.33 N ATOM 2285 CA GLU B 143 13.158 9.933 7.614 1.00 1.71 C ATOM 2286 C GLU B 143 11.744 10.508 7.481 1.00 1.36 C ATOM 2287 O GLU B 143 10.978 10.348 8.415 1.00 1.27 O ATOM 2288 CB GLU B 143 14.140 10.980 8.116 1.00 2.46 C ATOM 2289 CG GLU B 143 13.848 11.395 9.551 1.00 3.42 C ATOM 2290 CD GLU B 143 14.044 10.272 10.578 1.00 5.90 C ATOM 2291 OE1 GLU B 143 15.157 9.701 10.574 1.00 7.09 O ATOM 2292 OE2 GLU B 143 13.104 9.950 11.345 1.00 7.15 O ATOM 0 H GLU B 143 14.285 10.101 5.870 1.00 1.33 H new ATOM 0 HA GLU B 143 13.078 9.112 8.326 1.00 1.71 H new ATOM 0 HB2 GLU B 143 15.154 10.586 8.052 1.00 2.46 H new ATOM 0 HB3 GLU B 143 14.097 11.856 7.469 1.00 2.46 H new ATOM 0 HG2 GLU B 143 14.495 12.232 9.815 1.00 3.42 H new ATOM 0 HG3 GLU B 143 12.821 11.754 9.613 1.00 3.42 H new ATOM 2299 N MET B 144 11.355 11.095 6.340 1.00 1.35 N ATOM 2300 CA MET B 144 9.961 11.517 6.074 1.00 1.35 C ATOM 2301 C MET B 144 8.964 10.396 6.432 1.00 1.07 C ATOM 2302 O MET B 144 8.197 10.513 7.387 1.00 1.32 O ATOM 2303 CB MET B 144 9.886 11.930 4.596 1.00 1.62 C ATOM 2304 CG MET B 144 8.562 12.530 4.138 1.00 2.01 C ATOM 2305 SD MET B 144 8.474 12.663 2.332 1.00 3.19 S ATOM 2306 CE MET B 144 7.291 11.334 1.977 1.00 2.42 C ATOM 0 H MET B 144 11.995 11.293 5.571 1.00 1.35 H new ATOM 0 HA MET B 144 9.680 12.363 6.701 1.00 1.35 H new ATOM 0 HB2 MET B 144 10.677 12.654 4.401 1.00 1.62 H new ATOM 0 HB3 MET B 144 10.097 11.054 3.983 1.00 1.62 H new ATOM 0 HG2 MET B 144 7.739 11.912 4.498 1.00 2.01 H new ATOM 0 HG3 MET B 144 8.437 13.518 4.582 1.00 2.01 H new ATOM 0 HE1 MET B 144 7.121 11.276 0.902 1.00 2.42 H new ATOM 0 HE2 MET B 144 7.692 10.385 2.332 1.00 2.42 H new ATOM 0 HE3 MET B 144 6.348 11.541 2.483 1.00 2.42 H new ATOM 2316 N LEU B 145 9.113 9.234 5.785 1.00 0.79 N ATOM 2317 CA LEU B 145 8.375 7.998 6.077 1.00 0.93 C ATOM 2318 C LEU B 145 8.361 7.584 7.556 1.00 1.22 C ATOM 2319 O LEU B 145 7.450 6.899 7.988 1.00 1.93 O ATOM 2320 CB LEU B 145 9.007 6.873 5.227 1.00 0.83 C ATOM 2321 CG LEU B 145 8.422 6.747 3.811 1.00 0.79 C ATOM 2322 CD1 LEU B 145 9.152 5.616 3.075 1.00 0.95 C ATOM 2323 CD2 LEU B 145 6.917 6.442 3.821 1.00 0.78 C ATOM 0 H LEU B 145 9.774 9.124 5.016 1.00 0.79 H new ATOM 0 HA LEU B 145 7.329 8.179 5.829 1.00 0.93 H new ATOM 0 HB2 LEU B 145 10.080 7.050 5.150 1.00 0.83 H new ATOM 0 HB3 LEU B 145 8.877 5.924 5.747 1.00 0.83 H new ATOM 0 HG LEU B 145 8.561 7.704 3.309 1.00 0.79 H new ATOM 0 HD11 LEU B 145 8.746 5.516 2.068 1.00 0.95 H new ATOM 0 HD12 LEU B 145 10.216 5.847 3.016 1.00 0.95 H new ATOM 0 HD13 LEU B 145 9.013 4.680 3.617 1.00 0.95 H new ATOM 0 HD21 LEU B 145 6.555 6.363 2.796 1.00 0.78 H new ATOM 0 HD22 LEU B 145 6.740 5.501 4.342 1.00 0.78 H new ATOM 0 HD23 LEU B 145 6.386 7.245 4.333 1.00 0.78 H new ATOM 2335 N GLN B 146 9.374 7.950 8.330 1.00 0.99 N ATOM 2336 CA GLN B 146 9.544 7.637 9.742 1.00 1.27 C ATOM 2337 C GLN B 146 9.008 8.698 10.693 1.00 1.06 C ATOM 2338 O GLN B 146 8.817 8.422 11.868 1.00 1.13 O ATOM 2339 CB GLN B 146 11.036 7.455 9.967 1.00 1.65 C ATOM 2340 CG GLN B 146 11.462 6.171 9.265 1.00 2.08 C ATOM 2341 CD GLN B 146 12.890 5.819 9.561 1.00 2.14 C ATOM 2342 OE1 GLN B 146 13.243 5.309 10.606 1.00 2.62 O ATOM 2343 NE2 GLN B 146 13.803 6.064 8.665 1.00 3.03 N ATOM 0 H GLN B 146 10.146 8.508 7.966 1.00 0.99 H new ATOM 0 HA GLN B 146 8.964 6.741 9.965 1.00 1.27 H new ATOM 0 HB2 GLN B 146 11.588 8.307 9.572 1.00 1.65 H new ATOM 0 HB3 GLN B 146 11.257 7.399 11.033 1.00 1.65 H new ATOM 0 HG2 GLN B 146 10.814 5.353 9.579 1.00 2.08 H new ATOM 0 HG3 GLN B 146 11.332 6.285 8.189 1.00 2.08 H new ATOM 0 HE21 GLN B 146 13.543 6.491 7.776 1.00 3.03 H new ATOM 0 HE22 GLN B 146 14.778 5.828 8.852 1.00 3.03 H new ATOM 2352 N LYS B 147 8.791 9.931 10.260 1.00 0.97 N ATOM 2353 CA LYS B 147 7.882 10.839 10.966 1.00 1.03 C ATOM 2354 C LYS B 147 6.429 10.381 10.783 1.00 0.83 C ATOM 2355 O LYS B 147 5.702 10.251 11.770 1.00 1.00 O ATOM 2356 CB LYS B 147 8.080 12.291 10.542 1.00 1.38 C ATOM 2357 CG LYS B 147 9.525 12.804 10.506 1.00 1.62 C ATOM 2358 CD LYS B 147 10.681 12.058 11.187 1.00 3.33 C ATOM 2359 CE LYS B 147 10.568 11.723 12.666 1.00 5.22 C ATOM 2360 NZ LYS B 147 10.743 10.263 12.911 1.00 6.70 N ATOM 0 H LYS B 147 9.226 10.330 9.428 1.00 0.97 H new ATOM 0 HA LYS B 147 8.120 10.798 12.029 1.00 1.03 H new ATOM 0 HB2 LYS B 147 7.648 12.418 9.549 1.00 1.38 H new ATOM 0 HB3 LYS B 147 7.510 12.925 11.221 1.00 1.38 H new ATOM 0 HG2 LYS B 147 9.795 12.904 9.455 1.00 1.62 H new ATOM 0 HG3 LYS B 147 9.510 13.809 10.928 1.00 1.62 H new ATOM 0 HD2 LYS B 147 10.833 11.123 10.648 1.00 3.33 H new ATOM 0 HD3 LYS B 147 11.583 12.654 11.052 1.00 3.33 H new ATOM 0 HE2 LYS B 147 11.321 12.279 13.225 1.00 5.22 H new ATOM 0 HE3 LYS B 147 9.594 12.041 13.039 1.00 5.22 H new ATOM 0 HZ1 LYS B 147 10.981 10.105 13.911 1.00 6.70 H new ATOM 0 HZ2 LYS B 147 9.859 9.764 12.682 1.00 6.70 H new ATOM 0 HZ3 LYS B 147 11.511 9.900 12.311 1.00 6.70 H new ATOM 2374 N GLU B 148 6.052 10.052 9.547 1.00 0.74 N ATOM 2375 CA GLU B 148 4.755 9.453 9.234 1.00 0.81 C ATOM 2376 C GLU B 148 4.552 8.056 9.841 1.00 0.80 C ATOM 2377 O GLU B 148 3.406 7.695 10.091 1.00 1.06 O ATOM 2378 CB GLU B 148 4.537 9.382 7.717 1.00 1.00 C ATOM 2379 CG GLU B 148 4.130 10.721 7.100 1.00 1.27 C ATOM 2380 CD GLU B 148 5.344 11.531 6.673 1.00 2.28 C ATOM 2381 OE1 GLU B 148 5.781 11.324 5.519 1.00 3.52 O ATOM 2382 OE2 GLU B 148 5.826 12.332 7.502 1.00 2.98 O ATOM 0 H GLU B 148 6.643 10.195 8.728 1.00 0.74 H new ATOM 0 HA GLU B 148 4.016 10.111 9.692 1.00 0.81 H new ATOM 0 HB2 GLU B 148 5.454 9.035 7.241 1.00 1.00 H new ATOM 0 HB3 GLU B 148 3.766 8.642 7.502 1.00 1.00 H new ATOM 0 HG2 GLU B 148 3.487 10.545 6.237 1.00 1.27 H new ATOM 0 HG3 GLU B 148 3.546 11.292 7.821 1.00 1.27 H new ATOM 2389 N LEU B 149 5.614 7.276 10.089 1.00 0.74 N ATOM 2390 CA LEU B 149 5.554 5.951 10.723 1.00 0.85 C ATOM 2391 C LEU B 149 6.552 5.781 11.880 1.00 0.92 C ATOM 2392 O LEU B 149 7.361 4.849 11.927 1.00 1.51 O ATOM 2393 CB LEU B 149 5.650 4.815 9.688 1.00 1.13 C ATOM 2394 CG LEU B 149 4.487 4.745 8.679 1.00 1.42 C ATOM 2395 CD1 LEU B 149 4.890 5.313 7.313 1.00 2.10 C ATOM 2396 CD2 LEU B 149 4.024 3.291 8.528 1.00 1.34 C ATOM 0 H LEU B 149 6.564 7.557 9.848 1.00 0.74 H new ATOM 0 HA LEU B 149 4.568 5.882 11.183 1.00 0.85 H new ATOM 0 HB2 LEU B 149 6.583 4.927 9.135 1.00 1.13 H new ATOM 0 HB3 LEU B 149 5.706 3.865 10.219 1.00 1.13 H new ATOM 0 HG LEU B 149 3.668 5.354 9.062 1.00 1.42 H new ATOM 0 HD11 LEU B 149 4.045 5.247 6.628 1.00 2.10 H new ATOM 0 HD12 LEU B 149 5.185 6.356 7.425 1.00 2.10 H new ATOM 0 HD13 LEU B 149 5.727 4.740 6.913 1.00 2.10 H new ATOM 0 HD21 LEU B 149 3.202 3.243 7.814 1.00 1.34 H new ATOM 0 HD22 LEU B 149 4.853 2.681 8.168 1.00 1.34 H new ATOM 0 HD23 LEU B 149 3.688 2.914 9.494 1.00 1.34 H new ATOM 2408 N ASN B 150 6.471 6.698 12.838 1.00 0.81 N ATOM 2409 CA ASN B 150 7.356 6.782 14.000 1.00 0.81 C ATOM 2410 C ASN B 150 7.332 5.534 14.911 1.00 0.84 C ATOM 2411 O ASN B 150 8.275 5.292 15.659 1.00 1.00 O ATOM 2412 CB ASN B 150 6.984 8.078 14.734 1.00 0.86 C ATOM 2413 CG ASN B 150 7.996 8.441 15.810 1.00 1.35 C ATOM 2414 OD1 ASN B 150 9.044 9.014 15.523 1.00 1.97 O ATOM 2415 ND2 ASN B 150 7.702 8.149 17.066 1.00 1.62 N ATOM 0 H ASN B 150 5.762 7.431 12.829 1.00 0.81 H new ATOM 0 HA ASN B 150 8.395 6.807 13.671 1.00 0.81 H new ATOM 0 HB2 ASN B 150 6.914 8.894 14.014 1.00 0.86 H new ATOM 0 HB3 ASN B 150 5.999 7.967 15.187 1.00 0.86 H new ATOM 0 HD21 ASN B 150 8.350 8.400 17.813 1.00 1.62 H new ATOM 0 HD22 ASN B 150 6.828 7.673 17.288 1.00 1.62 H new ATOM 2422 N HIS B 151 6.283 4.711 14.835 1.00 0.81 N ATOM 2423 CA HIS B 151 6.085 3.524 15.679 1.00 0.92 C ATOM 2424 C HIS B 151 6.248 2.189 14.908 1.00 1.04 C ATOM 2425 O HIS B 151 5.955 1.110 15.434 1.00 2.02 O ATOM 2426 CB HIS B 151 4.709 3.675 16.349 1.00 0.96 C ATOM 2427 CG HIS B 151 4.482 5.073 16.877 1.00 1.03 C ATOM 2428 ND1 HIS B 151 3.684 6.031 16.290 1.00 1.03 N ATOM 2429 CD2 HIS B 151 5.250 5.709 17.816 1.00 1.42 C ATOM 2430 CE1 HIS B 151 3.952 7.208 16.879 1.00 1.28 C ATOM 2431 NE2 HIS B 151 4.929 7.070 17.794 1.00 1.58 N ATOM 0 H HIS B 151 5.526 4.854 14.167 1.00 0.81 H new ATOM 0 HA HIS B 151 6.866 3.471 16.437 1.00 0.92 H new ATOM 0 HB2 HIS B 151 3.928 3.429 15.630 1.00 0.96 H new ATOM 0 HB3 HIS B 151 4.625 2.961 17.168 1.00 0.96 H new ATOM 0 HD1 HIS B 151 3.010 5.874 15.541 1.00 1.03 H new ATOM 0 HD2 HIS B 151 5.978 5.240 18.462 1.00 1.42 H new ATOM 0 HE1 HIS B 151 3.452 8.137 16.650 1.00 1.28 H new ATOM 2439 N MET B 152 6.700 2.243 13.646 1.00 0.98 N ATOM 2440 CA MET B 152 6.830 1.086 12.736 1.00 1.00 C ATOM 2441 C MET B 152 8.214 0.402 12.805 1.00 1.05 C ATOM 2442 O MET B 152 8.628 -0.322 11.899 1.00 1.58 O ATOM 2443 CB MET B 152 6.474 1.578 11.328 1.00 1.05 C ATOM 2444 CG MET B 152 6.227 0.485 10.285 1.00 1.16 C ATOM 2445 SD MET B 152 4.894 -0.657 10.715 1.00 1.27 S ATOM 2446 CE MET B 152 3.783 -0.275 9.352 1.00 0.60 C ATOM 0 H MET B 152 6.995 3.118 13.214 1.00 0.98 H new ATOM 0 HA MET B 152 6.143 0.297 13.044 1.00 1.00 H new ATOM 0 HB2 MET B 152 5.581 2.199 11.395 1.00 1.05 H new ATOM 0 HB3 MET B 152 7.281 2.218 10.972 1.00 1.05 H new ATOM 0 HG2 MET B 152 5.994 0.955 9.330 1.00 1.16 H new ATOM 0 HG3 MET B 152 7.147 -0.083 10.145 1.00 1.16 H new ATOM 0 HE1 MET B 152 3.076 -1.094 9.219 1.00 0.60 H new ATOM 0 HE2 MET B 152 3.238 0.643 9.573 1.00 0.60 H new ATOM 0 HE3 MET B 152 4.361 -0.142 8.438 1.00 0.60 H new ATOM 2456 N LEU B 153 8.984 0.663 13.864 1.00 1.07 N ATOM 2457 CA LEU B 153 10.375 0.246 13.996 1.00 1.29 C ATOM 2458 C LEU B 153 10.831 0.241 15.452 1.00 1.28 C ATOM 2459 O LEU B 153 10.255 0.924 16.292 1.00 1.65 O ATOM 2460 CB LEU B 153 11.255 1.142 13.110 1.00 1.60 C ATOM 2461 CG LEU B 153 11.272 2.634 13.501 1.00 1.64 C ATOM 2462 CD1 LEU B 153 12.457 2.943 14.428 1.00 2.82 C ATOM 2463 CD2 LEU B 153 11.377 3.487 12.234 1.00 1.84 C ATOM 0 H LEU B 153 8.645 1.184 14.673 1.00 1.07 H new ATOM 0 HA LEU B 153 10.473 -0.784 13.654 1.00 1.29 H new ATOM 0 HB2 LEU B 153 12.277 0.763 13.138 1.00 1.60 H new ATOM 0 HB3 LEU B 153 10.912 1.056 12.079 1.00 1.60 H new ATOM 0 HG LEU B 153 10.349 2.867 14.032 1.00 1.64 H new ATOM 0 HD11 LEU B 153 12.448 4.001 14.690 1.00 2.82 H new ATOM 0 HD12 LEU B 153 12.375 2.344 15.335 1.00 2.82 H new ATOM 0 HD13 LEU B 153 13.390 2.704 13.918 1.00 2.82 H new ATOM 0 HD21 LEU B 153 11.389 4.542 12.506 1.00 1.84 H new ATOM 0 HD22 LEU B 153 12.296 3.238 11.703 1.00 1.84 H new ATOM 0 HD23 LEU B 153 10.521 3.288 11.590 1.00 1.84 H new ATOM 2475 N SER B 154 11.898 -0.504 15.725 1.00 1.47 N ATOM 2476 CA SER B 154 12.607 -0.450 17.014 1.00 1.72 C ATOM 2477 C SER B 154 14.006 0.174 16.926 1.00 1.67 C ATOM 2478 O SER B 154 14.437 0.800 17.891 1.00 2.32 O ATOM 2479 CB SER B 154 12.731 -1.863 17.589 1.00 2.24 C ATOM 2480 OG SER B 154 11.444 -2.401 17.837 1.00 2.73 O ATOM 0 H SER B 154 12.302 -1.166 15.062 1.00 1.47 H new ATOM 0 HA SER B 154 12.012 0.194 17.662 1.00 1.72 H new ATOM 0 HB2 SER B 154 13.273 -2.502 16.892 1.00 2.24 H new ATOM 0 HB3 SER B 154 13.308 -1.839 18.513 1.00 2.24 H new ATOM 0 HG SER B 154 11.533 -3.306 18.203 1.00 2.73 H new ATOM 2486 N ASP B 155 14.728 0.029 15.803 1.00 1.70 N ATOM 2487 CA ASP B 155 16.173 0.279 15.782 1.00 2.00 C ATOM 2488 C ASP B 155 16.789 0.563 14.388 1.00 1.64 C ATOM 2489 O ASP B 155 16.116 0.651 13.357 1.00 1.56 O ATOM 2490 CB ASP B 155 16.878 -0.909 16.484 1.00 2.86 C ATOM 2491 CG ASP B 155 17.280 -2.017 15.508 1.00 4.08 C ATOM 2492 OD1 ASP B 155 16.431 -2.444 14.694 1.00 4.97 O ATOM 2493 OD2 ASP B 155 18.502 -2.279 15.436 1.00 4.80 O ATOM 0 H ASP B 155 14.336 -0.258 14.906 1.00 1.70 H new ATOM 0 HA ASP B 155 16.338 1.214 16.318 1.00 2.00 H new ATOM 0 HB2 ASP B 155 17.766 -0.545 17.000 1.00 2.86 H new ATOM 0 HB3 ASP B 155 16.215 -1.323 17.244 1.00 2.86 H new ATOM 2498 N THR B 156 18.125 0.670 14.365 1.00 1.75 N ATOM 2499 CA THR B 156 18.965 0.763 13.156 1.00 1.68 C ATOM 2500 C THR B 156 18.804 -0.429 12.224 1.00 1.49 C ATOM 2501 O THR B 156 18.852 -0.243 11.018 1.00 1.35 O ATOM 2502 CB THR B 156 20.420 0.955 13.575 1.00 2.08 C ATOM 2503 OG1 THR B 156 21.229 1.154 12.437 1.00 3.17 O ATOM 2504 CG2 THR B 156 20.993 -0.205 14.376 1.00 2.26 C ATOM 0 H THR B 156 18.676 0.695 15.223 1.00 1.75 H new ATOM 0 HA THR B 156 18.632 1.626 12.579 1.00 1.68 H new ATOM 0 HB THR B 156 20.424 1.830 14.225 1.00 2.08 H new ATOM 0 HG1 THR B 156 22.173 1.134 12.699 1.00 3.17 H new ATOM 0 HG21 THR B 156 22.030 0.009 14.635 1.00 2.26 H new ATOM 0 HG22 THR B 156 20.412 -0.340 15.288 1.00 2.26 H new ATOM 0 HG23 THR B 156 20.948 -1.116 13.779 1.00 2.26 H new ATOM 2512 N GLY B 157 18.580 -1.629 12.741 1.00 1.60 N ATOM 2513 CA GLY B 157 18.198 -2.832 11.991 1.00 1.57 C ATOM 2514 C GLY B 157 16.980 -2.591 11.103 1.00 1.23 C ATOM 2515 O GLY B 157 17.070 -2.790 9.890 1.00 1.28 O ATOM 0 H GLY B 157 18.662 -1.806 13.742 1.00 1.60 H new ATOM 0 HA2 GLY B 157 19.037 -3.157 11.375 1.00 1.57 H new ATOM 0 HA3 GLY B 157 17.983 -3.641 12.689 1.00 1.57 H new ATOM 2519 N ASN B 158 15.884 -2.063 11.659 1.00 0.99 N ATOM 2520 CA ASN B 158 14.756 -1.595 10.839 1.00 0.83 C ATOM 2521 C ASN B 158 15.162 -0.501 9.833 1.00 0.80 C ATOM 2522 O ASN B 158 14.655 -0.514 8.708 1.00 0.91 O ATOM 2523 CB ASN B 158 13.604 -1.084 11.710 1.00 0.97 C ATOM 2524 CG ASN B 158 12.755 -2.186 12.321 1.00 1.29 C ATOM 2525 OD1 ASN B 158 12.656 -2.301 13.532 1.00 2.66 O ATOM 2526 ND2 ASN B 158 12.089 -2.987 11.506 1.00 1.38 N ATOM 0 H ASN B 158 15.752 -1.949 12.664 1.00 0.99 H new ATOM 0 HA ASN B 158 14.422 -2.464 10.272 1.00 0.83 H new ATOM 0 HB2 ASN B 158 14.013 -0.468 12.511 1.00 0.97 H new ATOM 0 HB3 ASN B 158 12.965 -0.439 11.107 1.00 0.97 H new ATOM 0 HD21 ASN B 158 11.482 -3.713 11.887 1.00 1.38 H new ATOM 0 HD22 ASN B 158 12.182 -2.879 10.496 1.00 1.38 H new ATOM 2533 N ARG B 159 16.104 0.400 10.163 1.00 0.84 N ATOM 2534 CA ARG B 159 16.647 1.340 9.163 1.00 0.98 C ATOM 2535 C ARG B 159 17.273 0.573 7.990 1.00 0.92 C ATOM 2536 O ARG B 159 16.829 0.781 6.871 1.00 0.92 O ATOM 2537 CB ARG B 159 17.624 2.387 9.741 1.00 1.25 C ATOM 2538 CG ARG B 159 17.060 3.247 10.885 1.00 1.69 C ATOM 2539 CD ARG B 159 16.098 4.320 10.367 1.00 1.72 C ATOM 2540 NE ARG B 159 16.784 5.582 10.009 1.00 3.20 N ATOM 2541 CZ ARG B 159 16.409 6.800 10.406 1.00 4.25 C ATOM 2542 NH1 ARG B 159 15.342 7.019 11.140 1.00 4.54 N ATOM 2543 NH2 ARG B 159 17.084 7.864 10.040 1.00 5.68 N ATOM 0 H ARG B 159 16.501 0.498 11.098 1.00 0.84 H new ATOM 0 HA ARG B 159 15.798 1.919 8.800 1.00 0.98 H new ATOM 0 HB2 ARG B 159 18.514 1.871 10.101 1.00 1.25 H new ATOM 0 HB3 ARG B 159 17.943 3.047 8.934 1.00 1.25 H new ATOM 0 HG2 ARG B 159 16.541 2.607 11.599 1.00 1.69 H new ATOM 0 HG3 ARG B 159 17.881 3.723 11.421 1.00 1.69 H new ATOM 0 HD2 ARG B 159 15.571 3.938 9.493 1.00 1.72 H new ATOM 0 HD3 ARG B 159 15.345 4.524 11.128 1.00 1.72 H new ATOM 0 HE ARG B 159 17.608 5.516 9.412 1.00 3.20 H new ATOM 0 HH11 ARG B 159 14.756 6.238 11.433 1.00 4.54 H new ATOM 0 HH12 ARG B 159 15.100 7.970 11.417 1.00 4.54 H new ATOM 0 HH21 ARG B 159 17.907 7.766 9.445 1.00 5.68 H new ATOM 0 HH22 ARG B 159 16.786 8.789 10.351 1.00 5.68 H new ATOM 2557 N LYS B 160 18.173 -0.405 8.206 1.00 0.94 N ATOM 2558 CA LYS B 160 18.774 -1.194 7.101 1.00 0.97 C ATOM 2559 C LYS B 160 17.745 -1.876 6.180 1.00 0.83 C ATOM 2560 O LYS B 160 17.996 -2.029 4.983 1.00 0.88 O ATOM 2561 CB LYS B 160 19.802 -2.234 7.577 1.00 1.16 C ATOM 2562 CG LYS B 160 21.145 -1.611 7.958 1.00 1.25 C ATOM 2563 CD LYS B 160 21.160 -1.205 9.434 1.00 1.67 C ATOM 2564 CE LYS B 160 22.485 -1.563 10.090 1.00 2.46 C ATOM 2565 NZ LYS B 160 22.416 -1.355 11.557 1.00 3.27 N ATOM 0 H LYS B 160 18.503 -0.672 9.134 1.00 0.94 H new ATOM 0 HA LYS B 160 19.295 -0.437 6.514 1.00 0.97 H new ATOM 0 HB2 LYS B 160 19.399 -2.769 8.437 1.00 1.16 H new ATOM 0 HB3 LYS B 160 19.959 -2.970 6.788 1.00 1.16 H new ATOM 0 HG2 LYS B 160 21.948 -2.322 7.764 1.00 1.25 H new ATOM 0 HG3 LYS B 160 21.335 -0.737 7.334 1.00 1.25 H new ATOM 0 HD2 LYS B 160 20.987 -0.132 9.521 1.00 1.67 H new ATOM 0 HD3 LYS B 160 20.345 -1.703 9.959 1.00 1.67 H new ATOM 0 HE2 LYS B 160 22.733 -2.603 9.876 1.00 2.46 H new ATOM 0 HE3 LYS B 160 23.283 -0.952 9.668 1.00 2.46 H new ATOM 0 HZ1 LYS B 160 23.379 -1.288 11.944 1.00 3.27 H new ATOM 0 HZ2 LYS B 160 21.900 -0.475 11.759 1.00 3.27 H new ATOM 0 HZ3 LYS B 160 21.921 -2.156 11.998 1.00 3.27 H new ATOM 2579 N ALA B 161 16.577 -2.247 6.710 1.00 0.74 N ATOM 2580 CA ALA B 161 15.474 -2.753 5.893 1.00 0.72 C ATOM 2581 C ALA B 161 14.884 -1.694 4.946 1.00 0.67 C ATOM 2582 O ALA B 161 14.715 -1.967 3.756 1.00 0.76 O ATOM 2583 CB ALA B 161 14.406 -3.365 6.810 1.00 0.71 C ATOM 0 H ALA B 161 16.371 -2.205 7.708 1.00 0.74 H new ATOM 0 HA ALA B 161 15.870 -3.527 5.235 1.00 0.72 H new ATOM 0 HB1 ALA B 161 13.581 -3.744 6.206 1.00 0.71 H new ATOM 0 HB2 ALA B 161 14.843 -4.184 7.382 1.00 0.71 H new ATOM 0 HB3 ALA B 161 14.034 -2.603 7.495 1.00 0.71 H new ATOM 2589 N ALA B 162 14.614 -0.491 5.454 1.00 0.60 N ATOM 2590 CA ALA B 162 14.121 0.630 4.649 1.00 0.63 C ATOM 2591 C ALA B 162 15.211 1.235 3.752 1.00 0.70 C ATOM 2592 O ALA B 162 14.919 1.644 2.633 1.00 0.74 O ATOM 2593 CB ALA B 162 13.501 1.653 5.610 1.00 0.64 C ATOM 0 H ALA B 162 14.732 -0.264 6.442 1.00 0.60 H new ATOM 0 HA ALA B 162 13.362 0.280 3.949 1.00 0.63 H new ATOM 0 HB1 ALA B 162 13.123 2.503 5.042 1.00 0.64 H new ATOM 0 HB2 ALA B 162 12.681 1.188 6.157 1.00 0.64 H new ATOM 0 HB3 ALA B 162 14.258 1.996 6.315 1.00 0.64 H new ATOM 2599 N ASP B 163 16.465 1.211 4.194 1.00 0.75 N ATOM 2600 CA ASP B 163 17.645 1.700 3.462 1.00 0.84 C ATOM 2601 C ASP B 163 17.835 0.916 2.152 1.00 0.89 C ATOM 2602 O ASP B 163 18.019 1.506 1.087 1.00 0.95 O ATOM 2603 CB ASP B 163 18.883 1.569 4.376 1.00 0.98 C ATOM 2604 CG ASP B 163 19.163 2.807 5.238 1.00 1.48 C ATOM 2605 OD1 ASP B 163 19.851 3.725 4.742 1.00 2.06 O ATOM 2606 OD2 ASP B 163 18.699 2.901 6.401 1.00 2.64 O ATOM 0 H ASP B 163 16.704 0.835 5.111 1.00 0.75 H new ATOM 0 HA ASP B 163 17.505 2.747 3.194 1.00 0.84 H new ATOM 0 HB2 ASP B 163 18.748 0.708 5.030 1.00 0.98 H new ATOM 0 HB3 ASP B 163 19.757 1.366 3.758 1.00 0.98 H new ATOM 2611 N LYS B 164 17.686 -0.413 2.207 1.00 0.92 N ATOM 2612 CA LYS B 164 17.750 -1.310 1.046 1.00 1.01 C ATOM 2613 C LYS B 164 16.741 -0.923 -0.037 1.00 0.98 C ATOM 2614 O LYS B 164 17.048 -0.898 -1.229 1.00 1.10 O ATOM 2615 CB LYS B 164 17.485 -2.732 1.567 1.00 1.06 C ATOM 2616 CG LYS B 164 17.450 -3.813 0.478 1.00 1.17 C ATOM 2617 CD LYS B 164 16.026 -4.230 0.062 1.00 1.20 C ATOM 2618 CE LYS B 164 15.232 -4.932 1.179 1.00 1.80 C ATOM 2619 NZ LYS B 164 13.865 -5.334 0.739 1.00 2.09 N ATOM 0 H LYS B 164 17.513 -0.907 3.082 1.00 0.92 H new ATOM 0 HA LYS B 164 18.730 -1.242 0.574 1.00 1.01 H new ATOM 0 HB2 LYS B 164 18.257 -2.989 2.292 1.00 1.06 H new ATOM 0 HB3 LYS B 164 16.534 -2.739 2.099 1.00 1.06 H new ATOM 0 HG2 LYS B 164 17.983 -3.448 -0.400 1.00 1.17 H new ATOM 0 HG3 LYS B 164 17.987 -4.692 0.834 1.00 1.17 H new ATOM 0 HD2 LYS B 164 15.478 -3.344 -0.259 1.00 1.20 H new ATOM 0 HD3 LYS B 164 16.089 -4.895 -0.799 1.00 1.20 H new ATOM 0 HE2 LYS B 164 15.779 -5.815 1.509 1.00 1.80 H new ATOM 0 HE3 LYS B 164 15.153 -4.266 2.038 1.00 1.80 H new ATOM 0 HZ1 LYS B 164 13.167 -5.019 1.443 1.00 2.09 H new ATOM 0 HZ2 LYS B 164 13.653 -4.895 -0.180 1.00 2.09 H new ATOM 0 HZ3 LYS B 164 13.820 -6.369 0.646 1.00 2.09 H new ATOM 2633 N LEU B 165 15.511 -0.673 0.403 1.00 0.86 N ATOM 2634 CA LEU B 165 14.359 -0.382 -0.443 1.00 0.84 C ATOM 2635 C LEU B 165 14.542 0.974 -1.097 1.00 0.87 C ATOM 2636 O LEU B 165 14.505 1.099 -2.314 1.00 0.92 O ATOM 2637 CB LEU B 165 13.122 -0.452 0.474 1.00 0.72 C ATOM 2638 CG LEU B 165 12.808 -1.908 0.843 1.00 0.74 C ATOM 2639 CD1 LEU B 165 11.952 -2.010 2.099 1.00 0.59 C ATOM 2640 CD2 LEU B 165 12.124 -2.584 -0.347 1.00 1.05 C ATOM 0 H LEU B 165 15.281 -0.668 1.397 1.00 0.86 H new ATOM 0 HA LEU B 165 14.241 -1.095 -1.259 1.00 0.84 H new ATOM 0 HB2 LEU B 165 13.300 0.128 1.379 1.00 0.72 H new ATOM 0 HB3 LEU B 165 12.264 -0.005 -0.028 1.00 0.72 H new ATOM 0 HG LEU B 165 13.744 -2.420 1.068 1.00 0.74 H new ATOM 0 HD11 LEU B 165 11.755 -3.059 2.321 1.00 0.59 H new ATOM 0 HD12 LEU B 165 12.480 -1.554 2.937 1.00 0.59 H new ATOM 0 HD13 LEU B 165 11.008 -1.490 1.939 1.00 0.59 H new ATOM 0 HD21 LEU B 165 11.896 -3.620 -0.095 1.00 1.05 H new ATOM 0 HD22 LEU B 165 11.200 -2.056 -0.583 1.00 1.05 H new ATOM 0 HD23 LEU B 165 12.788 -2.558 -1.211 1.00 1.05 H new ATOM 2652 N ILE B 166 14.854 1.956 -0.263 1.00 0.86 N ATOM 2653 CA ILE B 166 15.083 3.361 -0.620 1.00 0.98 C ATOM 2654 C ILE B 166 16.298 3.545 -1.531 1.00 1.15 C ATOM 2655 O ILE B 166 16.278 4.438 -2.374 1.00 1.32 O ATOM 2656 CB ILE B 166 15.148 4.178 0.682 1.00 1.04 C ATOM 2657 CG1 ILE B 166 13.709 4.197 1.246 1.00 1.05 C ATOM 2658 CG2 ILE B 166 15.687 5.602 0.468 1.00 1.22 C ATOM 2659 CD1 ILE B 166 13.604 4.780 2.636 1.00 1.09 C ATOM 0 H ILE B 166 14.962 1.791 0.738 1.00 0.86 H new ATOM 0 HA ILE B 166 14.254 3.734 -1.222 1.00 0.98 H new ATOM 0 HB ILE B 166 15.848 3.720 1.380 1.00 1.04 H new ATOM 0 HG12 ILE B 166 13.073 4.771 0.573 1.00 1.05 H new ATOM 0 HG13 ILE B 166 13.321 3.178 1.260 1.00 1.05 H new ATOM 0 HG21 ILE B 166 15.710 6.130 1.422 1.00 1.22 H new ATOM 0 HG22 ILE B 166 16.695 5.551 0.057 1.00 1.22 H new ATOM 0 HG23 ILE B 166 15.039 6.136 -0.227 1.00 1.22 H new ATOM 0 HD11 ILE B 166 12.564 4.759 2.962 1.00 1.09 H new ATOM 0 HD12 ILE B 166 14.212 4.192 3.324 1.00 1.09 H new ATOM 0 HD13 ILE B 166 13.960 5.810 2.626 1.00 1.09 H new ATOM 2671 N GLN B 167 17.336 2.708 -1.440 1.00 1.18 N ATOM 2672 CA GLN B 167 18.381 2.733 -2.458 1.00 1.42 C ATOM 2673 C GLN B 167 17.836 2.286 -3.816 1.00 1.84 C ATOM 2674 O GLN B 167 17.969 3.019 -4.796 1.00 2.47 O ATOM 2675 CB GLN B 167 19.616 1.942 -2.023 1.00 1.39 C ATOM 2676 CG GLN B 167 20.701 2.891 -1.508 1.00 1.62 C ATOM 2677 CD GLN B 167 21.407 3.566 -2.673 1.00 2.56 C ATOM 2678 OE1 GLN B 167 21.108 4.685 -3.070 1.00 3.74 O ATOM 2679 NE2 GLN B 167 22.303 2.859 -3.321 1.00 2.89 N ATOM 0 H GLN B 167 17.471 2.025 -0.694 1.00 1.18 H new ATOM 0 HA GLN B 167 18.712 3.765 -2.576 1.00 1.42 H new ATOM 0 HB2 GLN B 167 19.345 1.231 -1.242 1.00 1.39 H new ATOM 0 HB3 GLN B 167 19.999 1.362 -2.863 1.00 1.39 H new ATOM 0 HG2 GLN B 167 20.256 3.644 -0.858 1.00 1.62 H new ATOM 0 HG3 GLN B 167 21.423 2.337 -0.908 1.00 1.62 H new ATOM 0 HE21 GLN B 167 22.553 1.927 -2.991 1.00 2.89 H new ATOM 0 HE22 GLN B 167 22.749 3.242 -4.154 1.00 2.89 H new ATOM 2688 N ASN B 168 17.209 1.109 -3.857 1.00 1.64 N ATOM 2689 CA ASN B 168 16.779 0.415 -5.069 1.00 1.97 C ATOM 2690 C ASN B 168 15.716 1.174 -5.890 1.00 2.07 C ATOM 2691 O ASN B 168 15.843 1.279 -7.111 1.00 2.51 O ATOM 2692 CB ASN B 168 16.267 -0.966 -4.638 1.00 2.00 C ATOM 2693 CG ASN B 168 15.938 -1.840 -5.835 1.00 2.55 C ATOM 2694 OD1 ASN B 168 14.790 -1.973 -6.219 1.00 3.99 O ATOM 2695 ND2 ASN B 168 16.930 -2.437 -6.470 1.00 2.21 N ATOM 0 H ASN B 168 16.978 0.592 -3.009 1.00 1.64 H new ATOM 0 HA ASN B 168 17.631 0.337 -5.745 1.00 1.97 H new ATOM 0 HB2 ASN B 168 17.021 -1.458 -4.024 1.00 2.00 H new ATOM 0 HB3 ASN B 168 15.378 -0.848 -4.018 1.00 2.00 H new ATOM 0 HD21 ASN B 168 16.737 -3.015 -7.288 1.00 2.21 H new ATOM 0 HD22 ASN B 168 17.889 -2.321 -6.142 1.00 2.21 H new ATOM 2702 N LEU B 169 14.707 1.760 -5.233 1.00 1.83 N ATOM 2703 CA LEU B 169 13.609 2.493 -5.884 1.00 2.10 C ATOM 2704 C LEU B 169 14.044 3.814 -6.546 1.00 2.18 C ATOM 2705 O LEU B 169 13.267 4.433 -7.284 1.00 3.28 O ATOM 2706 CB LEU B 169 12.466 2.687 -4.865 1.00 2.15 C ATOM 2707 CG LEU B 169 11.386 1.578 -4.841 1.00 1.84 C ATOM 2708 CD1 LEU B 169 10.676 1.451 -6.195 1.00 1.74 C ATOM 2709 CD2 LEU B 169 11.918 0.200 -4.420 1.00 2.04 C ATOM 0 H LEU B 169 14.628 1.739 -4.216 1.00 1.83 H new ATOM 0 HA LEU B 169 13.252 1.890 -6.719 1.00 2.10 H new ATOM 0 HB2 LEU B 169 12.902 2.764 -3.869 1.00 2.15 H new ATOM 0 HB3 LEU B 169 11.977 3.639 -5.073 1.00 2.15 H new ATOM 0 HG LEU B 169 10.676 1.900 -4.079 1.00 1.84 H new ATOM 0 HD11 LEU B 169 9.925 0.663 -6.140 1.00 1.74 H new ATOM 0 HD12 LEU B 169 10.193 2.396 -6.442 1.00 1.74 H new ATOM 0 HD13 LEU B 169 11.405 1.204 -6.966 1.00 1.74 H new ATOM 0 HD21 LEU B 169 11.102 -0.523 -4.428 1.00 2.04 H new ATOM 0 HD22 LEU B 169 12.693 -0.120 -5.117 1.00 2.04 H new ATOM 0 HD23 LEU B 169 12.337 0.263 -3.416 1.00 2.04 H new ATOM 2721 N ASP B 170 15.293 4.235 -6.338 1.00 1.52 N ATOM 2722 CA ASP B 170 15.950 5.283 -7.122 1.00 1.54 C ATOM 2723 C ASP B 170 17.409 4.914 -7.462 1.00 1.41 C ATOM 2724 O ASP B 170 18.306 5.756 -7.520 1.00 1.65 O ATOM 2725 CB ASP B 170 15.736 6.660 -6.457 1.00 1.83 C ATOM 2726 CG ASP B 170 14.403 7.329 -6.816 1.00 1.39 C ATOM 2727 OD1 ASP B 170 13.800 6.970 -7.861 1.00 1.04 O ATOM 2728 OD2 ASP B 170 13.979 8.219 -6.054 1.00 2.12 O ATOM 0 H ASP B 170 15.888 3.849 -5.605 1.00 1.52 H new ATOM 0 HA ASP B 170 15.479 5.366 -8.102 1.00 1.54 H new ATOM 0 HB2 ASP B 170 15.791 6.541 -5.375 1.00 1.83 H new ATOM 0 HB3 ASP B 170 16.552 7.322 -6.747 1.00 1.83 H new ATOM 2733 N ALA B 171 17.643 3.617 -7.700 1.00 1.34 N ATOM 2734 CA ALA B 171 18.810 3.082 -8.405 1.00 1.41 C ATOM 2735 C ALA B 171 18.538 2.918 -9.914 1.00 1.49 C ATOM 2736 O ALA B 171 19.450 2.618 -10.681 1.00 1.98 O ATOM 2737 CB ALA B 171 19.195 1.742 -7.765 1.00 1.43 C ATOM 0 H ALA B 171 17.000 2.886 -7.395 1.00 1.34 H new ATOM 0 HA ALA B 171 19.637 3.786 -8.313 1.00 1.41 H new ATOM 0 HB1 ALA B 171 20.063 1.330 -8.279 1.00 1.43 H new ATOM 0 HB2 ALA B 171 19.435 1.897 -6.713 1.00 1.43 H new ATOM 0 HB3 ALA B 171 18.360 1.046 -7.848 1.00 1.43 H new ATOM 2743 N ASN B 172 17.299 3.163 -10.363 1.00 1.31 N ATOM 2744 CA ASN B 172 16.838 2.991 -11.751 1.00 1.67 C ATOM 2745 C ASN B 172 17.451 4.020 -12.737 1.00 2.50 C ATOM 2746 O ASN B 172 16.981 4.148 -13.865 1.00 3.93 O ATOM 2747 CB ASN B 172 15.288 3.040 -11.817 1.00 1.40 C ATOM 2748 CG ASN B 172 14.544 2.583 -10.562 1.00 1.60 C ATOM 2749 OD1 ASN B 172 13.833 3.348 -9.916 1.00 1.85 O ATOM 2750 ND2 ASN B 172 14.712 1.337 -10.162 1.00 2.27 N ATOM 0 H ASN B 172 16.560 3.500 -9.746 1.00 1.31 H new ATOM 0 HA ASN B 172 17.189 2.010 -12.071 1.00 1.67 H new ATOM 0 HB2 ASN B 172 14.987 4.064 -12.040 1.00 1.40 H new ATOM 0 HB3 ASN B 172 14.961 2.422 -12.653 1.00 1.40 H new ATOM 0 HD21 ASN B 172 14.251 1.007 -9.314 1.00 2.27 H new ATOM 0 HD22 ASN B 172 15.303 0.704 -10.701 1.00 2.27 H new ATOM 2757 N HIS B 173 18.445 4.799 -12.291 1.00 2.17 N ATOM 2758 CA HIS B 173 18.948 6.022 -12.928 1.00 2.74 C ATOM 2759 C HIS B 173 17.828 7.066 -13.158 1.00 2.28 C ATOM 2760 O HIS B 173 17.899 7.879 -14.080 1.00 2.63 O ATOM 2761 CB HIS B 173 19.797 5.673 -14.164 1.00 3.72 C ATOM 2762 CG HIS B 173 21.086 4.982 -13.782 1.00 4.66 C ATOM 2763 ND1 HIS B 173 21.239 3.663 -13.413 1.00 5.45 N ATOM 2764 CD2 HIS B 173 22.304 5.584 -13.617 1.00 5.38 C ATOM 2765 CE1 HIS B 173 22.511 3.484 -13.020 1.00 6.26 C ATOM 2766 NE2 HIS B 173 23.202 4.628 -13.129 1.00 6.26 N ATOM 0 H HIS B 173 18.946 4.581 -11.430 1.00 2.17 H new ATOM 0 HA HIS B 173 19.628 6.531 -12.245 1.00 2.74 H new ATOM 0 HB2 HIS B 173 19.223 5.029 -14.830 1.00 3.72 H new ATOM 0 HB3 HIS B 173 20.023 6.584 -14.719 1.00 3.72 H new ATOM 0 HD2 HIS B 173 22.533 6.618 -13.827 1.00 5.38 H new ATOM 0 HE1 HIS B 173 22.920 2.549 -12.666 1.00 6.26 H new ATOM 0 HE2 HIS B 173 24.186 4.773 -12.902 1.00 6.26 H new ATOM 2774 N ASP B 174 16.785 7.042 -12.314 1.00 1.76 N ATOM 2775 CA ASP B 174 15.607 7.892 -12.435 1.00 1.58 C ATOM 2776 C ASP B 174 15.642 9.076 -11.450 1.00 1.82 C ATOM 2777 O ASP B 174 15.615 10.230 -11.883 1.00 2.04 O ATOM 2778 CB ASP B 174 14.320 7.038 -12.324 1.00 1.52 C ATOM 2779 CG ASP B 174 14.089 6.377 -10.962 1.00 1.62 C ATOM 2780 OD1 ASP B 174 15.060 5.986 -10.292 1.00 2.77 O ATOM 2781 OD2 ASP B 174 12.930 6.325 -10.487 1.00 1.80 O ATOM 0 H ASP B 174 16.744 6.413 -11.512 1.00 1.76 H new ATOM 0 HA ASP B 174 15.607 8.348 -13.425 1.00 1.58 H new ATOM 0 HB2 ASP B 174 13.463 7.671 -12.552 1.00 1.52 H new ATOM 0 HB3 ASP B 174 14.353 6.260 -13.086 1.00 1.52 H new ATOM 2786 N GLY B 175 15.646 8.817 -10.137 1.00 1.99 N ATOM 2787 CA GLY B 175 15.389 9.845 -9.117 1.00 2.26 C ATOM 2788 C GLY B 175 13.922 10.298 -9.092 1.00 1.95 C ATOM 2789 O GLY B 175 13.633 11.449 -8.759 1.00 2.06 O ATOM 0 H GLY B 175 15.827 7.891 -9.750 1.00 1.99 H new ATOM 0 HA2 GLY B 175 15.662 9.455 -8.136 1.00 2.26 H new ATOM 0 HA3 GLY B 175 16.029 10.707 -9.306 1.00 2.26 H new ATOM 2793 N ARG B 176 13.004 9.422 -9.523 1.00 1.65 N ATOM 2794 CA ARG B 176 11.552 9.625 -9.528 1.00 1.38 C ATOM 2795 C ARG B 176 10.902 8.623 -8.571 1.00 1.13 C ATOM 2796 O ARG B 176 11.343 7.470 -8.478 1.00 1.25 O ATOM 2797 CB ARG B 176 10.951 9.442 -10.939 1.00 1.39 C ATOM 2798 CG ARG B 176 11.179 10.640 -11.877 1.00 1.78 C ATOM 2799 CD ARG B 176 12.543 10.636 -12.574 1.00 2.11 C ATOM 2800 NE ARG B 176 12.483 10.055 -13.931 1.00 2.70 N ATOM 2801 CZ ARG B 176 13.496 9.943 -14.789 1.00 3.40 C ATOM 2802 NH1 ARG B 176 14.717 10.344 -14.506 1.00 4.01 N ATOM 2803 NH2 ARG B 176 13.302 9.407 -15.974 1.00 3.95 N ATOM 0 H ARG B 176 13.268 8.510 -9.895 1.00 1.65 H new ATOM 0 HA ARG B 176 11.354 10.648 -9.208 1.00 1.38 H new ATOM 0 HB2 ARG B 176 11.383 8.550 -11.394 1.00 1.39 H new ATOM 0 HB3 ARG B 176 9.879 9.265 -10.846 1.00 1.39 H new ATOM 0 HG2 ARG B 176 10.396 10.649 -12.635 1.00 1.78 H new ATOM 0 HG3 ARG B 176 11.078 11.561 -11.303 1.00 1.78 H new ATOM 0 HD2 ARG B 176 12.919 11.657 -12.636 1.00 2.11 H new ATOM 0 HD3 ARG B 176 13.254 10.071 -11.971 1.00 2.11 H new ATOM 0 HE ARG B 176 11.577 9.705 -14.242 1.00 2.70 H new ATOM 0 HH11 ARG B 176 14.919 10.761 -13.597 1.00 4.01 H new ATOM 0 HH12 ARG B 176 15.461 10.238 -15.195 1.00 4.01 H new ATOM 0 HH21 ARG B 176 12.374 9.076 -16.238 1.00 3.95 H new ATOM 0 HH22 ARG B 176 14.079 9.322 -16.629 1.00 3.95 H new ATOM 2817 N ILE B 177 9.817 9.033 -7.911 1.00 0.95 N ATOM 2818 CA ILE B 177 8.939 8.110 -7.177 1.00 0.92 C ATOM 2819 C ILE B 177 7.521 8.235 -7.736 1.00 0.93 C ATOM 2820 O ILE B 177 6.820 9.219 -7.529 1.00 1.31 O ATOM 2821 CB ILE B 177 9.027 8.300 -5.647 1.00 1.00 C ATOM 2822 CG1 ILE B 177 10.453 8.049 -5.096 1.00 1.31 C ATOM 2823 CG2 ILE B 177 8.019 7.390 -4.927 1.00 1.14 C ATOM 2824 CD1 ILE B 177 10.916 6.584 -5.086 1.00 2.01 C ATOM 0 H ILE B 177 9.520 10.008 -7.868 1.00 0.95 H new ATOM 0 HA ILE B 177 9.275 7.085 -7.332 1.00 0.92 H new ATOM 0 HB ILE B 177 8.780 9.343 -5.449 1.00 1.00 H new ATOM 0 HG12 ILE B 177 11.159 8.630 -5.689 1.00 1.31 H new ATOM 0 HG13 ILE B 177 10.502 8.433 -4.077 1.00 1.31 H new ATOM 0 HG21 ILE B 177 8.098 7.540 -3.850 1.00 1.14 H new ATOM 0 HG22 ILE B 177 7.009 7.635 -5.254 1.00 1.14 H new ATOM 0 HG23 ILE B 177 8.235 6.348 -5.165 1.00 1.14 H new ATOM 0 HD11 ILE B 177 11.926 6.524 -4.681 1.00 2.01 H new ATOM 0 HD12 ILE B 177 10.241 5.993 -4.466 1.00 2.01 H new ATOM 0 HD13 ILE B 177 10.909 6.193 -6.104 1.00 2.01 H new ATOM 2836 N SER B 178 7.157 7.229 -8.512 1.00 0.67 N ATOM 2837 CA SER B 178 5.821 6.965 -9.049 1.00 0.65 C ATOM 2838 C SER B 178 4.867 6.380 -7.981 1.00 0.57 C ATOM 2839 O SER B 178 5.327 5.955 -6.924 1.00 0.62 O ATOM 2840 CB SER B 178 5.982 5.959 -10.205 1.00 0.84 C ATOM 2841 OG SER B 178 7.099 6.243 -11.044 1.00 1.80 O ATOM 0 H SER B 178 7.830 6.522 -8.808 1.00 0.67 H new ATOM 0 HA SER B 178 5.380 7.903 -9.387 1.00 0.65 H new ATOM 0 HB2 SER B 178 6.091 4.956 -9.793 1.00 0.84 H new ATOM 0 HB3 SER B 178 5.074 5.959 -10.808 1.00 0.84 H new ATOM 0 HG SER B 178 7.922 5.936 -10.609 1.00 1.80 H new ATOM 2847 N PHE B 179 3.559 6.266 -8.264 1.00 0.57 N ATOM 2848 CA PHE B 179 2.563 5.680 -7.342 1.00 0.55 C ATOM 2849 C PHE B 179 2.929 4.271 -6.830 1.00 0.52 C ATOM 2850 O PHE B 179 2.995 4.039 -5.623 1.00 0.57 O ATOM 2851 CB PHE B 179 1.194 5.628 -8.045 1.00 0.57 C ATOM 2852 CG PHE B 179 0.697 6.952 -8.583 1.00 0.56 C ATOM 2853 CD1 PHE B 179 0.314 7.961 -7.683 1.00 1.69 C ATOM 2854 CD2 PHE B 179 0.607 7.181 -9.971 1.00 1.98 C ATOM 2855 CE1 PHE B 179 -0.133 9.200 -8.165 1.00 1.75 C ATOM 2856 CE2 PHE B 179 0.154 8.423 -10.452 1.00 2.11 C ATOM 2857 CZ PHE B 179 -0.208 9.438 -9.549 1.00 1.03 C ATOM 0 H PHE B 179 3.156 6.580 -9.147 1.00 0.57 H new ATOM 0 HA PHE B 179 2.537 6.326 -6.464 1.00 0.55 H new ATOM 0 HB2 PHE B 179 1.253 4.918 -8.870 1.00 0.57 H new ATOM 0 HB3 PHE B 179 0.457 5.239 -7.342 1.00 0.57 H new ATOM 0 HD1 PHE B 179 0.364 7.782 -6.619 1.00 1.69 H new ATOM 0 HD2 PHE B 179 0.886 6.402 -10.666 1.00 1.98 H new ATOM 0 HE1 PHE B 179 -0.421 9.975 -7.470 1.00 1.75 H new ATOM 0 HE2 PHE B 179 0.084 8.597 -11.516 1.00 2.11 H new ATOM 0 HZ PHE B 179 -0.542 10.397 -9.917 1.00 1.03 H new ATOM 2867 N ASP B 180 3.203 3.342 -7.755 1.00 0.56 N ATOM 2868 CA ASP B 180 3.559 1.946 -7.438 1.00 0.68 C ATOM 2869 C ASP B 180 4.986 1.848 -6.859 1.00 0.62 C ATOM 2870 O ASP B 180 5.236 1.028 -5.979 1.00 0.61 O ATOM 2871 CB ASP B 180 3.370 1.081 -8.706 1.00 0.93 C ATOM 2872 CG ASP B 180 3.040 -0.411 -8.477 1.00 3.04 C ATOM 2873 OD1 ASP B 180 3.077 -0.887 -7.317 1.00 4.48 O ATOM 2874 OD2 ASP B 180 2.693 -1.058 -9.492 1.00 3.92 O ATOM 0 H ASP B 180 3.185 3.537 -8.756 1.00 0.56 H new ATOM 0 HA ASP B 180 2.897 1.565 -6.660 1.00 0.68 H new ATOM 0 HB2 ASP B 180 2.571 1.520 -9.303 1.00 0.93 H new ATOM 0 HB3 ASP B 180 4.282 1.142 -9.300 1.00 0.93 H new ATOM 2879 N GLU B 181 5.901 2.756 -7.257 1.00 0.65 N ATOM 2880 CA GLU B 181 7.216 2.895 -6.609 1.00 0.72 C ATOM 2881 C GLU B 181 7.049 3.246 -5.124 1.00 0.75 C ATOM 2882 O GLU B 181 7.706 2.641 -4.283 1.00 0.86 O ATOM 2883 CB GLU B 181 8.104 3.973 -7.265 1.00 0.87 C ATOM 2884 CG GLU B 181 8.731 3.639 -8.627 1.00 1.17 C ATOM 2885 CD GLU B 181 9.744 4.726 -9.021 1.00 1.01 C ATOM 2886 OE1 GLU B 181 9.364 5.770 -9.582 1.00 1.87 O ATOM 2887 OE2 GLU B 181 10.949 4.631 -8.696 1.00 1.35 O ATOM 0 H GLU B 181 5.749 3.406 -8.028 1.00 0.65 H new ATOM 0 HA GLU B 181 7.710 1.930 -6.727 1.00 0.72 H new ATOM 0 HB2 GLU B 181 7.506 4.877 -7.382 1.00 0.87 H new ATOM 0 HB3 GLU B 181 8.911 4.212 -6.572 1.00 0.87 H new ATOM 0 HG2 GLU B 181 9.226 2.669 -8.581 1.00 1.17 H new ATOM 0 HG3 GLU B 181 7.952 3.564 -9.386 1.00 1.17 H new ATOM 2894 N TYR B 182 6.175 4.196 -4.768 1.00 0.70 N ATOM 2895 CA TYR B 182 5.967 4.572 -3.364 1.00 0.71 C ATOM 2896 C TYR B 182 5.364 3.421 -2.540 1.00 0.70 C ATOM 2897 O TYR B 182 5.740 3.223 -1.382 1.00 0.75 O ATOM 2898 CB TYR B 182 5.088 5.828 -3.276 1.00 0.75 C ATOM 2899 CG TYR B 182 5.227 6.578 -1.961 1.00 1.03 C ATOM 2900 CD1 TYR B 182 4.698 6.044 -0.768 1.00 2.64 C ATOM 2901 CD2 TYR B 182 5.917 7.809 -1.916 1.00 1.62 C ATOM 2902 CE1 TYR B 182 4.881 6.709 0.454 1.00 2.98 C ATOM 2903 CE2 TYR B 182 6.082 8.496 -0.705 1.00 1.70 C ATOM 2904 CZ TYR B 182 5.563 7.940 0.491 1.00 1.79 C ATOM 2905 OH TYR B 182 5.728 8.556 1.688 1.00 2.23 O ATOM 0 H TYR B 182 5.602 4.717 -5.431 1.00 0.70 H new ATOM 0 HA TYR B 182 6.943 4.793 -2.933 1.00 0.71 H new ATOM 0 HB2 TYR B 182 5.345 6.499 -4.096 1.00 0.75 H new ATOM 0 HB3 TYR B 182 4.045 5.542 -3.413 1.00 0.75 H new ATOM 0 HD1 TYR B 182 4.147 5.115 -0.795 1.00 2.64 H new ATOM 0 HD2 TYR B 182 6.323 8.227 -2.826 1.00 1.62 H new ATOM 0 HE1 TYR B 182 4.498 6.276 1.367 1.00 2.98 H new ATOM 0 HE2 TYR B 182 6.601 9.443 -0.684 1.00 1.70 H new ATOM 0 HH TYR B 182 5.117 9.320 1.750 1.00 2.23 H new ATOM 2915 N TRP B 183 4.425 2.664 -3.108 1.00 0.67 N ATOM 2916 CA TRP B 183 3.798 1.563 -2.400 1.00 0.68 C ATOM 2917 C TRP B 183 4.757 0.377 -2.220 1.00 0.68 C ATOM 2918 O TRP B 183 5.044 0.050 -1.069 1.00 0.69 O ATOM 2919 CB TRP B 183 2.445 1.239 -3.043 1.00 0.73 C ATOM 2920 CG TRP B 183 1.263 1.550 -2.170 1.00 0.73 C ATOM 2921 CD1 TRP B 183 1.053 2.667 -1.437 1.00 0.72 C ATOM 2922 CD2 TRP B 183 0.118 0.701 -1.893 1.00 0.76 C ATOM 2923 NE1 TRP B 183 -0.134 2.551 -0.740 1.00 0.74 N ATOM 2924 CE2 TRP B 183 -0.742 1.338 -0.956 1.00 0.75 C ATOM 2925 CE3 TRP B 183 -0.257 -0.569 -2.337 1.00 0.78 C ATOM 2926 CZ2 TRP B 183 -1.914 0.735 -0.471 1.00 0.77 C ATOM 2927 CZ3 TRP B 183 -1.442 -1.172 -1.888 1.00 0.80 C ATOM 2928 CH2 TRP B 183 -2.278 -0.527 -0.966 1.00 0.80 C ATOM 0 H TRP B 183 4.085 2.799 -4.060 1.00 0.67 H new ATOM 0 HA TRP B 183 3.573 1.855 -1.374 1.00 0.68 H new ATOM 0 HB2 TRP B 183 2.353 1.799 -3.974 1.00 0.73 H new ATOM 0 HB3 TRP B 183 2.422 0.181 -3.304 1.00 0.73 H new ATOM 0 HD1 TRP B 183 1.714 3.521 -1.402 1.00 0.72 H new ATOM 0 HE1 TRP B 183 -0.514 3.280 -0.136 1.00 0.74 H new ATOM 0 HE3 TRP B 183 0.375 -1.095 -3.037 1.00 0.78 H new ATOM 0 HZ2 TRP B 183 -2.524 1.233 0.269 1.00 0.77 H new ATOM 0 HZ3 TRP B 183 -1.714 -2.149 -2.259 1.00 0.80 H new ATOM 0 HH2 TRP B 183 -3.194 -0.997 -0.639 1.00 0.80 H new ATOM 2939 N THR B 184 5.342 -0.209 -3.278 1.00 0.72 N ATOM 2940 CA THR B 184 6.290 -1.339 -3.117 1.00 0.79 C ATOM 2941 C THR B 184 7.505 -0.993 -2.243 1.00 0.75 C ATOM 2942 O THR B 184 8.089 -1.876 -1.619 1.00 0.90 O ATOM 2943 CB THR B 184 6.687 -1.921 -4.475 1.00 0.88 C ATOM 2944 OG1 THR B 184 7.211 -3.208 -4.254 1.00 1.19 O ATOM 2945 CG2 THR B 184 7.741 -1.092 -5.204 1.00 0.88 C ATOM 0 H THR B 184 5.182 0.072 -4.245 1.00 0.72 H new ATOM 0 HA THR B 184 5.761 -2.118 -2.568 1.00 0.79 H new ATOM 0 HB THR B 184 5.797 -1.931 -5.104 1.00 0.88 H new ATOM 0 HG1 THR B 184 7.473 -3.606 -5.110 1.00 1.19 H new ATOM 0 HG21 THR B 184 7.976 -1.561 -6.159 1.00 0.88 H new ATOM 0 HG22 THR B 184 7.357 -0.087 -5.378 1.00 0.88 H new ATOM 0 HG23 THR B 184 8.644 -1.035 -4.596 1.00 0.88 H new ATOM 2953 N LEU B 185 7.846 0.297 -2.121 1.00 0.63 N ATOM 2954 CA LEU B 185 8.819 0.772 -1.143 1.00 0.63 C ATOM 2955 C LEU B 185 8.440 0.413 0.300 1.00 0.64 C ATOM 2956 O LEU B 185 9.183 -0.317 0.945 1.00 0.75 O ATOM 2957 CB LEU B 185 9.000 2.287 -1.308 1.00 0.65 C ATOM 2958 CG LEU B 185 10.180 2.826 -0.496 1.00 1.19 C ATOM 2959 CD1 LEU B 185 11.483 2.513 -1.227 1.00 1.98 C ATOM 2960 CD2 LEU B 185 10.030 4.338 -0.358 1.00 3.21 C ATOM 0 H LEU B 185 7.451 1.037 -2.701 1.00 0.63 H new ATOM 0 HA LEU B 185 9.764 0.264 -1.336 1.00 0.63 H new ATOM 0 HB2 LEU B 185 9.152 2.519 -2.362 1.00 0.65 H new ATOM 0 HB3 LEU B 185 8.087 2.795 -0.998 1.00 0.65 H new ATOM 0 HG LEU B 185 10.197 2.361 0.490 1.00 1.19 H new ATOM 0 HD11 LEU B 185 12.325 2.896 -0.650 1.00 1.98 H new ATOM 0 HD12 LEU B 185 11.584 1.434 -1.344 1.00 1.98 H new ATOM 0 HD13 LEU B 185 11.471 2.985 -2.209 1.00 1.98 H new ATOM 0 HD21 LEU B 185 10.865 4.735 0.219 1.00 3.21 H new ATOM 0 HD22 LEU B 185 10.023 4.795 -1.348 1.00 3.21 H new ATOM 0 HD23 LEU B 185 9.095 4.566 0.153 1.00 3.21 H new ATOM 2972 N ILE B 186 7.341 0.947 0.850 1.00 0.62 N ATOM 2973 CA ILE B 186 6.903 0.682 2.224 1.00 0.62 C ATOM 2974 C ILE B 186 6.215 -0.683 2.424 1.00 0.64 C ATOM 2975 O ILE B 186 6.258 -1.213 3.539 1.00 0.72 O ATOM 2976 CB ILE B 186 6.193 1.937 2.793 1.00 0.60 C ATOM 2977 CG1 ILE B 186 5.672 1.648 4.204 1.00 0.62 C ATOM 2978 CG2 ILE B 186 5.112 2.647 1.947 1.00 0.65 C ATOM 2979 CD1 ILE B 186 5.355 2.939 4.944 1.00 0.66 C ATOM 0 H ILE B 186 6.724 1.583 0.345 1.00 0.62 H new ATOM 0 HA ILE B 186 7.776 0.531 2.859 1.00 0.62 H new ATOM 0 HB ILE B 186 6.993 2.678 2.784 1.00 0.60 H new ATOM 0 HG12 ILE B 186 4.777 1.029 4.145 1.00 0.62 H new ATOM 0 HG13 ILE B 186 6.417 1.079 4.761 1.00 0.62 H new ATOM 0 HG21 ILE B 186 4.723 3.503 2.498 1.00 0.65 H new ATOM 0 HG22 ILE B 186 5.550 2.988 1.009 1.00 0.65 H new ATOM 0 HG23 ILE B 186 4.300 1.951 1.736 1.00 0.65 H new ATOM 0 HD11 ILE B 186 4.987 2.705 5.943 1.00 0.66 H new ATOM 0 HD12 ILE B 186 6.258 3.544 5.023 1.00 0.66 H new ATOM 0 HD13 ILE B 186 4.593 3.494 4.397 1.00 0.66 H new ATOM 2991 N GLY B 187 5.764 -1.341 1.352 1.00 0.58 N ATOM 2992 CA GLY B 187 5.416 -2.769 1.351 1.00 0.54 C ATOM 2993 C GLY B 187 6.585 -3.637 1.825 1.00 0.62 C ATOM 2994 O GLY B 187 6.416 -4.443 2.738 1.00 0.77 O ATOM 0 H GLY B 187 5.628 -0.892 0.446 1.00 0.58 H new ATOM 0 HA2 GLY B 187 4.554 -2.934 1.998 1.00 0.54 H new ATOM 0 HA3 GLY B 187 5.122 -3.071 0.346 1.00 0.54 H new ATOM 2998 N GLY B 188 7.802 -3.374 1.328 1.00 0.56 N ATOM 2999 CA GLY B 188 8.998 -4.136 1.711 1.00 0.58 C ATOM 3000 C GLY B 188 9.513 -3.856 3.126 1.00 0.58 C ATOM 3001 O GLY B 188 10.310 -4.633 3.652 1.00 0.66 O ATOM 0 H GLY B 188 7.984 -2.631 0.653 1.00 0.56 H new ATOM 0 HA2 GLY B 188 8.777 -5.200 1.624 1.00 0.58 H new ATOM 0 HA3 GLY B 188 9.794 -3.917 1.000 1.00 0.58 H new ATOM 3005 N ILE B 189 9.095 -2.744 3.744 1.00 0.55 N ATOM 3006 CA ILE B 189 9.284 -2.481 5.183 1.00 0.58 C ATOM 3007 C ILE B 189 8.287 -3.340 5.970 1.00 0.64 C ATOM 3008 O ILE B 189 8.662 -3.993 6.946 1.00 0.72 O ATOM 3009 CB ILE B 189 9.117 -0.967 5.499 1.00 0.56 C ATOM 3010 CG1 ILE B 189 10.066 -0.106 4.631 1.00 0.53 C ATOM 3011 CG2 ILE B 189 9.357 -0.682 6.996 1.00 0.64 C ATOM 3012 CD1 ILE B 189 9.920 1.410 4.819 1.00 0.56 C ATOM 0 H ILE B 189 8.610 -1.991 3.256 1.00 0.55 H new ATOM 0 HA ILE B 189 10.298 -2.750 5.480 1.00 0.58 H new ATOM 0 HB ILE B 189 8.090 -0.695 5.257 1.00 0.56 H new ATOM 0 HG12 ILE B 189 11.095 -0.387 4.856 1.00 0.53 H new ATOM 0 HG13 ILE B 189 9.892 -0.345 3.582 1.00 0.53 H new ATOM 0 HG21 ILE B 189 9.234 0.384 7.188 1.00 0.64 H new ATOM 0 HG22 ILE B 189 8.639 -1.244 7.593 1.00 0.64 H new ATOM 0 HG23 ILE B 189 10.369 -0.985 7.266 1.00 0.64 H new ATOM 0 HD11 ILE B 189 10.626 1.927 4.169 1.00 0.56 H new ATOM 0 HD12 ILE B 189 8.904 1.712 4.564 1.00 0.56 H new ATOM 0 HD13 ILE B 189 10.126 1.669 5.857 1.00 0.56 H new ATOM 3024 N THR B 190 7.037 -3.378 5.492 1.00 0.61 N ATOM 3025 CA THR B 190 5.879 -4.052 6.090 1.00 0.65 C ATOM 3026 C THR B 190 5.829 -5.529 5.704 1.00 0.69 C ATOM 3027 O THR B 190 4.829 -6.017 5.180 1.00 0.95 O ATOM 3028 CB THR B 190 4.575 -3.349 5.686 1.00 0.70 C ATOM 3029 OG1 THR B 190 4.727 -1.949 5.748 1.00 0.80 O ATOM 3030 CG2 THR B 190 3.479 -3.761 6.667 1.00 0.78 C ATOM 0 H THR B 190 6.792 -2.908 4.620 1.00 0.61 H new ATOM 0 HA THR B 190 5.988 -3.994 7.173 1.00 0.65 H new ATOM 0 HB THR B 190 4.318 -3.634 4.666 1.00 0.70 H new ATOM 0 HG1 THR B 190 5.264 -1.644 4.987 1.00 0.80 H new ATOM 0 HG21 THR B 190 2.544 -3.271 6.395 1.00 0.78 H new ATOM 0 HG22 THR B 190 3.346 -4.842 6.630 1.00 0.78 H new ATOM 0 HG23 THR B 190 3.764 -3.465 7.676 1.00 0.78 H new ATOM 3038 N GLY B 191 6.908 -6.267 5.975 1.00 0.70 N ATOM 3039 CA GLY B 191 6.946 -7.704 5.680 1.00 0.71 C ATOM 3040 C GLY B 191 7.247 -8.580 6.895 1.00 0.60 C ATOM 3041 O GLY B 191 6.315 -9.149 7.462 1.00 0.58 O ATOM 0 H GLY B 191 7.761 -5.898 6.395 1.00 0.70 H new ATOM 0 HA2 GLY B 191 5.987 -8.003 5.258 1.00 0.71 H new ATOM 0 HA3 GLY B 191 7.702 -7.888 4.916 1.00 0.71 H new ATOM 3045 N PRO B 192 8.516 -8.696 7.336 1.00 0.68 N ATOM 3046 CA PRO B 192 8.882 -9.527 8.487 1.00 0.76 C ATOM 3047 C PRO B 192 8.199 -9.054 9.780 1.00 0.70 C ATOM 3048 O PRO B 192 7.827 -9.870 10.619 1.00 0.78 O ATOM 3049 CB PRO B 192 10.411 -9.448 8.572 1.00 0.98 C ATOM 3050 CG PRO B 192 10.755 -8.128 7.878 1.00 1.02 C ATOM 3051 CD PRO B 192 9.684 -8.015 6.796 1.00 0.87 C ATOM 0 HA PRO B 192 8.545 -10.556 8.363 1.00 0.76 H new ATOM 0 HB2 PRO B 192 10.754 -9.456 9.607 1.00 0.98 H new ATOM 0 HB3 PRO B 192 10.882 -10.295 8.074 1.00 0.98 H new ATOM 0 HG2 PRO B 192 10.718 -7.287 8.571 1.00 1.02 H new ATOM 0 HG3 PRO B 192 11.758 -8.146 7.452 1.00 1.02 H new ATOM 0 HD2 PRO B 192 9.462 -6.972 6.571 1.00 0.87 H new ATOM 0 HD3 PRO B 192 10.014 -8.478 5.866 1.00 0.87 H new ATOM 3059 N ILE B 193 7.968 -7.743 9.908 1.00 0.63 N ATOM 3060 CA ILE B 193 7.217 -7.128 11.017 1.00 0.63 C ATOM 3061 C ILE B 193 5.704 -7.376 10.950 1.00 0.56 C ATOM 3062 O ILE B 193 5.034 -7.357 11.984 1.00 0.61 O ATOM 3063 CB ILE B 193 7.550 -5.638 11.133 1.00 0.70 C ATOM 3064 CG1 ILE B 193 7.123 -4.852 9.881 1.00 0.71 C ATOM 3065 CG2 ILE B 193 9.052 -5.481 11.450 1.00 0.87 C ATOM 3066 CD1 ILE B 193 7.360 -3.370 10.115 1.00 1.20 C ATOM 0 H ILE B 193 8.305 -7.060 9.229 1.00 0.63 H new ATOM 0 HA ILE B 193 7.545 -7.627 11.929 1.00 0.63 H new ATOM 0 HB ILE B 193 6.977 -5.206 11.953 1.00 0.70 H new ATOM 0 HG12 ILE B 193 7.690 -5.190 9.014 1.00 0.71 H new ATOM 0 HG13 ILE B 193 6.070 -5.034 9.664 1.00 0.71 H new ATOM 0 HG21 ILE B 193 9.297 -4.422 11.534 1.00 0.87 H new ATOM 0 HG22 ILE B 193 9.280 -5.982 12.391 1.00 0.87 H new ATOM 0 HG23 ILE B 193 9.641 -5.927 10.649 1.00 0.87 H new ATOM 0 HD11 ILE B 193 7.059 -2.809 9.230 1.00 1.20 H new ATOM 0 HD12 ILE B 193 6.773 -3.039 10.972 1.00 1.20 H new ATOM 0 HD13 ILE B 193 8.418 -3.197 10.311 1.00 1.20 H new ATOM 3078 N ALA B 194 5.164 -7.641 9.758 1.00 0.52 N ATOM 3079 CA ALA B 194 3.721 -7.729 9.517 1.00 0.56 C ATOM 3080 C ALA B 194 3.039 -8.780 10.401 1.00 0.57 C ATOM 3081 O ALA B 194 1.930 -8.556 10.881 1.00 0.68 O ATOM 3082 CB ALA B 194 3.473 -7.963 8.023 1.00 0.64 C ATOM 0 H ALA B 194 5.724 -7.803 8.921 1.00 0.52 H new ATOM 0 HA ALA B 194 3.261 -6.783 9.802 1.00 0.56 H new ATOM 0 HB1 ALA B 194 2.401 -8.029 7.838 1.00 0.64 H new ATOM 0 HB2 ALA B 194 3.889 -7.134 7.451 1.00 0.64 H new ATOM 0 HB3 ALA B 194 3.952 -8.893 7.716 1.00 0.64 H new ATOM 3088 N LYS B 195 3.724 -9.895 10.690 1.00 0.56 N ATOM 3089 CA LYS B 195 3.286 -10.916 11.611 1.00 0.61 C ATOM 3090 C LYS B 195 2.916 -10.388 12.998 1.00 0.59 C ATOM 3091 O LYS B 195 1.928 -10.861 13.545 1.00 0.68 O ATOM 3092 CB LYS B 195 4.416 -11.964 11.653 1.00 0.71 C ATOM 3093 CG LYS B 195 3.862 -13.383 11.514 1.00 1.10 C ATOM 3094 CD LYS B 195 4.098 -14.254 12.739 1.00 1.36 C ATOM 3095 CE LYS B 195 3.333 -13.737 13.953 1.00 1.91 C ATOM 3096 NZ LYS B 195 1.878 -14.017 13.918 1.00 2.07 N ATOM 0 H LYS B 195 4.628 -10.104 10.266 1.00 0.56 H new ATOM 0 HA LYS B 195 2.351 -11.355 11.263 1.00 0.61 H new ATOM 0 HB2 LYS B 195 5.127 -11.768 10.850 1.00 0.71 H new ATOM 0 HB3 LYS B 195 4.963 -11.875 12.592 1.00 0.71 H new ATOM 0 HG2 LYS B 195 2.791 -13.328 11.319 1.00 1.10 H new ATOM 0 HG3 LYS B 195 4.320 -13.859 10.647 1.00 1.10 H new ATOM 0 HD2 LYS B 195 3.790 -15.277 12.523 1.00 1.36 H new ATOM 0 HD3 LYS B 195 5.164 -14.283 12.965 1.00 1.36 H new ATOM 0 HE2 LYS B 195 3.756 -14.184 14.853 1.00 1.91 H new ATOM 0 HE3 LYS B 195 3.483 -12.660 14.031 1.00 1.91 H new ATOM 0 HZ1 LYS B 195 1.515 -14.088 14.890 1.00 2.07 H new ATOM 0 HZ2 LYS B 195 1.388 -13.246 13.420 1.00 2.07 H new ATOM 0 HZ3 LYS B 195 1.709 -14.914 13.419 1.00 2.07 H new ATOM 3110 N LEU B 196 3.673 -9.437 13.560 1.00 0.63 N ATOM 3111 CA LEU B 196 3.367 -8.770 14.812 1.00 0.70 C ATOM 3112 C LEU B 196 2.269 -7.728 14.617 1.00 0.63 C ATOM 3113 O LEU B 196 1.320 -7.765 15.380 1.00 0.75 O ATOM 3114 CB LEU B 196 4.705 -8.183 15.276 1.00 0.80 C ATOM 3115 CG LEU B 196 4.776 -7.549 16.663 1.00 1.04 C ATOM 3116 CD1 LEU B 196 4.140 -6.157 16.726 1.00 1.17 C ATOM 3117 CD2 LEU B 196 4.224 -8.456 17.773 1.00 1.43 C ATOM 0 H LEU B 196 4.540 -9.107 13.135 1.00 0.63 H new ATOM 0 HA LEU B 196 2.965 -9.440 15.572 1.00 0.70 H new ATOM 0 HB2 LEU B 196 5.449 -8.979 15.236 1.00 0.80 H new ATOM 0 HB3 LEU B 196 5.006 -7.428 14.550 1.00 0.80 H new ATOM 0 HG LEU B 196 5.842 -7.423 16.851 1.00 1.04 H new ATOM 0 HD11 LEU B 196 4.225 -5.764 17.739 1.00 1.17 H new ATOM 0 HD12 LEU B 196 4.654 -5.490 16.034 1.00 1.17 H new ATOM 0 HD13 LEU B 196 3.088 -6.225 16.450 1.00 1.17 H new ATOM 0 HD21 LEU B 196 4.304 -7.946 18.733 1.00 1.43 H new ATOM 0 HD22 LEU B 196 3.178 -8.685 17.569 1.00 1.43 H new ATOM 0 HD23 LEU B 196 4.798 -9.382 17.805 1.00 1.43 H new ATOM 3129 N ILE B 197 2.332 -6.888 13.578 1.00 0.56 N ATOM 3130 CA ILE B 197 1.301 -5.869 13.248 1.00 0.65 C ATOM 3131 C ILE B 197 -0.111 -6.461 13.194 1.00 0.81 C ATOM 3132 O ILE B 197 -1.021 -5.953 13.834 1.00 0.98 O ATOM 3133 CB ILE B 197 1.649 -5.203 11.901 1.00 0.74 C ATOM 3134 CG1 ILE B 197 2.951 -4.386 12.027 1.00 0.81 C ATOM 3135 CG2 ILE B 197 0.494 -4.329 11.384 1.00 0.99 C ATOM 3136 CD1 ILE B 197 3.430 -3.876 10.669 1.00 0.96 C ATOM 0 H ILE B 197 3.113 -6.889 12.923 1.00 0.56 H new ATOM 0 HA ILE B 197 1.304 -5.126 14.045 1.00 0.65 H new ATOM 0 HB ILE B 197 1.806 -5.993 11.167 1.00 0.74 H new ATOM 0 HG12 ILE B 197 2.788 -3.541 12.696 1.00 0.81 H new ATOM 0 HG13 ILE B 197 3.727 -5.005 12.478 1.00 0.81 H new ATOM 0 HG21 ILE B 197 0.777 -3.877 10.433 1.00 0.99 H new ATOM 0 HG22 ILE B 197 -0.394 -4.946 11.243 1.00 0.99 H new ATOM 0 HG23 ILE B 197 0.279 -3.544 12.109 1.00 0.99 H new ATOM 0 HD11 ILE B 197 4.349 -3.305 10.798 1.00 0.96 H new ATOM 0 HD12 ILE B 197 3.618 -4.722 10.008 1.00 0.96 H new ATOM 0 HD13 ILE B 197 2.664 -3.236 10.230 1.00 0.96 H new ATOM 3148 N HIS B 198 -0.277 -7.561 12.458 1.00 0.82 N ATOM 3149 CA HIS B 198 -1.500 -8.384 12.470 1.00 0.93 C ATOM 3150 C HIS B 198 -2.044 -8.651 13.884 1.00 1.16 C ATOM 3151 O HIS B 198 -3.243 -8.594 14.145 1.00 1.44 O ATOM 3152 CB HIS B 198 -1.138 -9.743 11.840 1.00 0.83 C ATOM 3153 CG HIS B 198 -2.128 -10.842 12.150 1.00 0.95 C ATOM 3154 ND1 HIS B 198 -1.960 -11.915 13.005 1.00 1.30 N ATOM 3155 CD2 HIS B 198 -3.443 -10.826 11.791 1.00 1.07 C ATOM 3156 CE1 HIS B 198 -3.140 -12.545 13.115 1.00 1.48 C ATOM 3157 NE2 HIS B 198 -4.073 -11.946 12.354 1.00 1.29 N ATOM 0 H HIS B 198 0.441 -7.915 11.826 1.00 0.82 H new ATOM 0 HA HIS B 198 -2.273 -7.843 11.924 1.00 0.93 H new ATOM 0 HB2 HIS B 198 -1.068 -9.624 10.759 1.00 0.83 H new ATOM 0 HB3 HIS B 198 -0.152 -10.045 12.192 1.00 0.83 H new ATOM 0 HD1 HIS B 198 -1.092 -12.181 13.470 1.00 1.30 H new ATOM 0 HD2 HIS B 198 -3.920 -10.077 11.176 1.00 1.07 H new ATOM 0 HE1 HIS B 198 -3.316 -13.415 13.731 1.00 1.48 H new ATOM 3165 N GLU B 199 -1.136 -9.025 14.774 1.00 1.08 N ATOM 3166 CA GLU B 199 -1.427 -9.591 16.074 1.00 1.14 C ATOM 3167 C GLU B 199 -2.091 -8.543 16.974 1.00 1.14 C ATOM 3168 O GLU B 199 -3.093 -8.801 17.633 1.00 1.32 O ATOM 3169 CB GLU B 199 -0.084 -10.093 16.627 1.00 1.14 C ATOM 3170 CG GLU B 199 -0.181 -11.491 17.209 1.00 1.49 C ATOM 3171 CD GLU B 199 0.319 -12.507 16.177 1.00 1.58 C ATOM 3172 OE1 GLU B 199 -0.231 -12.603 15.054 1.00 2.90 O ATOM 3173 OE2 GLU B 199 1.351 -13.160 16.425 1.00 1.66 O ATOM 0 H GLU B 199 -0.135 -8.937 14.598 1.00 1.08 H new ATOM 0 HA GLU B 199 -2.136 -10.417 16.020 1.00 1.14 H new ATOM 0 HB2 GLU B 199 0.659 -10.086 15.830 1.00 1.14 H new ATOM 0 HB3 GLU B 199 0.268 -9.406 17.397 1.00 1.14 H new ATOM 0 HG2 GLU B 199 0.413 -11.559 18.120 1.00 1.49 H new ATOM 0 HG3 GLU B 199 -1.213 -11.712 17.483 1.00 1.49 H new ATOM 3180 N GLN B 200 -1.546 -7.334 16.935 1.00 1.03 N ATOM 3181 CA GLN B 200 -2.088 -6.095 17.520 1.00 1.07 C ATOM 3182 C GLN B 200 -3.555 -5.858 17.169 1.00 1.13 C ATOM 3183 O GLN B 200 -4.379 -5.609 18.053 1.00 1.22 O ATOM 3184 CB GLN B 200 -1.256 -4.892 17.020 1.00 0.99 C ATOM 3185 CG GLN B 200 0.237 -5.196 17.089 1.00 0.97 C ATOM 3186 CD GLN B 200 1.130 -3.989 16.998 1.00 1.04 C ATOM 3187 OE1 GLN B 200 1.681 -3.626 15.968 1.00 1.30 O ATOM 3188 NE2 GLN B 200 1.314 -3.363 18.121 1.00 1.30 N ATOM 0 H GLN B 200 -0.655 -7.173 16.465 1.00 1.03 H new ATOM 0 HA GLN B 200 -2.026 -6.201 18.603 1.00 1.07 H new ATOM 0 HB2 GLN B 200 -1.535 -4.653 15.994 1.00 0.99 H new ATOM 0 HB3 GLN B 200 -1.481 -4.013 17.624 1.00 0.99 H new ATOM 0 HG2 GLN B 200 0.445 -5.715 18.025 1.00 0.97 H new ATOM 0 HG3 GLN B 200 0.492 -5.881 16.281 1.00 0.97 H new ATOM 0 HE21 GLN B 200 0.844 -3.684 18.967 1.00 1.30 H new ATOM 0 HE22 GLN B 200 1.929 -2.550 18.157 1.00 1.30 H new ATOM 3197 N GLU B 201 -3.881 -5.962 15.878 1.00 1.17 N ATOM 3198 CA GLU B 201 -5.236 -5.711 15.388 1.00 1.33 C ATOM 3199 C GLU B 201 -6.181 -6.850 15.761 1.00 1.36 C ATOM 3200 O GLU B 201 -7.292 -6.605 16.225 1.00 1.43 O ATOM 3201 CB GLU B 201 -5.240 -5.526 13.870 1.00 1.72 C ATOM 3202 CG GLU B 201 -4.457 -4.310 13.367 1.00 2.43 C ATOM 3203 CD GLU B 201 -4.897 -2.964 13.958 1.00 3.96 C ATOM 3204 OE1 GLU B 201 -6.007 -2.471 13.658 1.00 4.74 O ATOM 3205 OE2 GLU B 201 -4.084 -2.304 14.643 1.00 5.05 O ATOM 0 H GLU B 201 -3.217 -6.221 15.148 1.00 1.17 H new ATOM 0 HA GLU B 201 -5.586 -4.795 15.863 1.00 1.33 H new ATOM 0 HB2 GLU B 201 -4.827 -6.423 13.408 1.00 1.72 H new ATOM 0 HB3 GLU B 201 -6.273 -5.440 13.532 1.00 1.72 H new ATOM 0 HG2 GLU B 201 -3.401 -4.460 13.590 1.00 2.43 H new ATOM 0 HG3 GLU B 201 -4.550 -4.261 12.282 1.00 2.43 H new ATOM 3212 N GLN B 202 -5.730 -8.098 15.629 1.00 1.50 N ATOM 3213 CA GLN B 202 -6.543 -9.278 15.950 1.00 1.86 C ATOM 3214 C GLN B 202 -6.939 -9.390 17.431 1.00 1.97 C ATOM 3215 O GLN B 202 -7.855 -10.139 17.777 1.00 2.38 O ATOM 3216 CB GLN B 202 -5.866 -10.559 15.448 1.00 2.11 C ATOM 3217 CG GLN B 202 -5.024 -11.354 16.468 1.00 2.09 C ATOM 3218 CD GLN B 202 -5.626 -12.726 16.784 1.00 2.75 C ATOM 3219 OE1 GLN B 202 -5.116 -13.761 16.385 1.00 3.22 O ATOM 3220 NE2 GLN B 202 -6.745 -12.785 17.482 1.00 2.95 N ATOM 0 H GLN B 202 -4.792 -8.322 15.297 1.00 1.50 H new ATOM 0 HA GLN B 202 -7.484 -9.144 15.417 1.00 1.86 H new ATOM 0 HB2 GLN B 202 -6.640 -11.221 15.059 1.00 2.11 H new ATOM 0 HB3 GLN B 202 -5.221 -10.295 14.610 1.00 2.11 H new ATOM 0 HG2 GLN B 202 -4.015 -11.485 16.077 1.00 2.09 H new ATOM 0 HG3 GLN B 202 -4.937 -10.778 17.389 1.00 2.09 H new ATOM 0 HE21 GLN B 202 -7.181 -11.927 17.821 1.00 2.95 H new ATOM 0 HE22 GLN B 202 -7.174 -13.688 17.683 1.00 2.95 H new ATOM 3229 N GLN B 203 -6.198 -8.708 18.305 1.00 1.79 N ATOM 3230 CA GLN B 203 -6.502 -8.588 19.731 1.00 2.15 C ATOM 3231 C GLN B 203 -7.344 -7.345 20.040 1.00 2.26 C ATOM 3232 O GLN B 203 -7.943 -7.260 21.104 1.00 2.72 O ATOM 3233 CB GLN B 203 -5.181 -8.517 20.503 1.00 2.15 C ATOM 3234 CG GLN B 203 -4.369 -9.818 20.393 1.00 2.16 C ATOM 3235 CD GLN B 203 -2.977 -9.644 20.991 1.00 2.18 C ATOM 3236 OE1 GLN B 203 -2.676 -10.125 22.071 1.00 3.12 O ATOM 3237 NE2 GLN B 203 -2.094 -8.937 20.322 1.00 2.13 N ATOM 0 H GLN B 203 -5.349 -8.212 18.034 1.00 1.79 H new ATOM 0 HA GLN B 203 -7.086 -9.457 20.033 1.00 2.15 H new ATOM 0 HB2 GLN B 203 -4.585 -7.687 20.124 1.00 2.15 H new ATOM 0 HB3 GLN B 203 -5.387 -8.308 21.553 1.00 2.15 H new ATOM 0 HG2 GLN B 203 -4.893 -10.623 20.909 1.00 2.16 H new ATOM 0 HG3 GLN B 203 -4.285 -10.112 19.347 1.00 2.16 H new ATOM 0 HE21 GLN B 203 -2.342 -8.533 19.419 1.00 2.13 H new ATOM 0 HE22 GLN B 203 -1.160 -8.792 20.706 1.00 2.13 H new ATOM 3246 N SER B 204 -7.356 -6.370 19.134 1.00 1.94 N ATOM 3247 CA SER B 204 -8.021 -5.060 19.223 1.00 2.07 C ATOM 3248 C SER B 204 -7.387 -4.115 20.262 1.00 2.29 C ATOM 3249 O SER B 204 -7.873 -3.002 20.463 1.00 2.43 O ATOM 3250 CB SER B 204 -9.536 -5.204 19.470 1.00 2.47 C ATOM 3251 OG SER B 204 -10.175 -3.938 19.384 1.00 2.63 O ATOM 0 H SER B 204 -6.864 -6.478 18.247 1.00 1.94 H new ATOM 0 HA SER B 204 -7.871 -4.594 18.249 1.00 2.07 H new ATOM 0 HB2 SER B 204 -9.967 -5.886 18.737 1.00 2.47 H new ATOM 0 HB3 SER B 204 -9.711 -5.640 20.453 1.00 2.47 H new ATOM 0 HG SER B 204 -9.575 -3.245 19.730 1.00 2.63 H new