USER MOD reduce.3.24.130724 H: found=0, std=0, add=1236, rem=0, adj=57 USER MOD reduce.3.24.130724 removed 1236 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 116 ASN : amide:sc= -0.728 K(o=-1.4,f=-4.9!) USER MOD Set 1.2: A 156 LYS NZ :NH3+ 174:sc= -0.721 (180deg=-0.257) USER MOD Set 2.1: A 135 ASN : amide:sc= -0.524 K(o=-0.57,f=-4.5!) USER MOD Set 2.2: A 136 HIS : no HE2:sc= -0.0453 K(o=-0.57,f=-1.3) USER MOD Set 3.1: A 88 ASN : amide:sc= -0.55 X(o=-0.41,f=-0.42) USER MOD Set 3.2: A 89 LYS NZ :NH3+ 154:sc= 0.136 (180deg=0) USER MOD Set 4.1: A 12 TYR OH : rot 30:sc= -0.114 USER MOD Set 4.2: A 53 TYR OH : rot 7:sc= 0.0516 USER MOD Set 5.1: A 17 SER OG : rot 180:sc= 0.00495 USER MOD Set 5.2: A 23 SER OG : rot -57:sc= 0.00583 USER MOD Single : A 0 GLY N :NH3+ -100:sc= 0.0654 (180deg=0) USER MOD Single : A 1 SER OG : rot -19:sc= 0.258 USER MOD Single : A 2 SER OG : rot -99:sc= -0.587 USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 10 THR OG1 : rot 180:sc=-7.24e-05 USER MOD Single : A 15 SER OG : rot 100:sc= 0.969 USER MOD Single : A 18 THR OG1 : rot 165:sc= -1.29 USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 ASN : amide:sc= -0.568 X(o=-0.57,f=-0.8!) USER MOD Single : A 22 GLN :FLIP amide:sc= -0.803 F(o=-2.6!,f=-0.8) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 33 TYR OH : rot -174:sc= 0.312 USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ -161:sc= 0.00616 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ -167:sc= -0.0639 (180deg=-0.283) USER MOD Single : A 46 LYS NZ :NH3+ 179:sc= -1.38 (180deg=-1.43) USER MOD Single : A 48 LYS NZ :NH3+ -136:sc= 0.616 (180deg=0.0165) USER MOD Single : A 52 SER OG : rot -125:sc= -0.59 USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot -84:sc= 0.023 USER MOD Single : A 57 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 58 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 61 ASN : amide:sc= -0.224 X(o=-0.22,f=0) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ 165:sc= -0.363 (180deg=-0.712) USER MOD Single : A 71 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 73 MET CE :methyl -128:sc= -2.21! (180deg=-3.05) USER MOD Single : A 75 THR OG1 : rot 180:sc= -1.28 USER MOD Single : A 77 SER OG : rot -77:sc= 0.339 USER MOD Single : A 79 THR OG1 : rot -66:sc= -2.08! USER MOD Single : A 80 LYS NZ :NH3+ -168:sc= -0.0231 (180deg=-0.177) USER MOD Single : A 85 HIS : no HD1:sc= -1.75! C(o=-1.8!,f=-3.4!) USER MOD Single : A 87 ASN :FLIP amide:sc= -2.73! C(o=-7.5!,f=-2.7!) USER MOD Single : A 91 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 92 SER OG : rot 70:sc= 0.064 USER MOD Single : A 96 HIS : no HE2:sc= -0.0299 K(o=-0.03,f=-0.63) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 CYS SG : rot 180:sc= 0 USER MOD Single : A 100 LYS NZ :NH3+ -161:sc= -0.0845 (180deg=-0.401) USER MOD Single : A 105 GLN :FLIP amide:sc= 0 F(o=-1,f=0) USER MOD Single : A 111 HIS : no HD1:sc= -0.55 K(o=-0.55,f=-1.3) USER MOD Single : A 112 ASN : amide:sc= -0.175 X(o=-0.18,f=-0.19) USER MOD Single : A 113 MET CE :methyl -161:sc= -0.145 (180deg=-0.676) USER MOD Single : A 114 HIS : no HE2:sc= -0.678 X(o=-0.68,f=-0.88) USER MOD Single : A 115 SER OG : rot 180:sc= 0 USER MOD Single : A 117 CYS SG : rot 176:sc= 0.459 USER MOD Single : A 119 SER OG : rot -124:sc= -0.0936 USER MOD Single : A 122 CYS SG : rot -170:sc= -2.39 USER MOD Single : A 123 LYS NZ :NH3+ -166:sc= -0.045 (180deg=-0.252) USER MOD Single : A 124 THR OG1 : rot 77:sc= 0.466 USER MOD Single : A 133 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 141 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 144 SER OG : rot 180:sc= 0 USER MOD Single : A 145 SER OG : rot 180:sc= 0 USER MOD Single : A 147 ASN : amide:sc= -1.29 K(o=-1.3,f=-2.5!) USER MOD Single : A 149 CYS SG : rot 180:sc= 0.0324 USER MOD Single : A 150 THR OG1 : rot 88:sc= 0.984 USER MOD Single : A 152 ASN :FLIP amide:sc= -0.787 F(o=-3.4!,f=-0.79) USER MOD Single : A 158 SER OG : rot 180:sc= 0 USER MOD Single : A 160 THR OG1 : rot 50:sc= 0.8 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 0 20.509 11.163 6.077 1.00 7.74 N ATOM 2 CA GLY A 0 20.899 10.284 4.940 1.00 7.29 C ATOM 3 C GLY A 0 21.762 11.002 3.922 1.00 6.59 C ATOM 4 O GLY A 0 21.916 12.222 3.981 1.00 6.87 O ATOM 0 H1 GLY A 0 21.124 10.969 6.893 1.00 7.74 H new ATOM 0 H2 GLY A 0 20.611 12.159 5.796 1.00 7.74 H new ATOM 0 H3 GLY A 0 19.520 10.976 6.337 1.00 7.74 H new ATOM 0 HA2 GLY A 0 21.439 9.418 5.323 1.00 7.29 H new ATOM 0 HA3 GLY A 0 20.001 9.909 4.450 1.00 7.29 H new ATOM 10 N SER A 1 22.326 10.244 2.986 1.00 5.98 N ATOM 11 CA SER A 1 23.179 10.816 1.951 1.00 5.55 C ATOM 12 C SER A 1 23.023 10.059 0.637 1.00 4.98 C ATOM 13 O SER A 1 23.473 10.519 -0.413 1.00 4.98 O ATOM 14 CB SER A 1 24.642 10.789 2.399 1.00 5.73 C ATOM 15 OG SER A 1 25.487 11.352 1.410 1.00 6.24 O ATOM 0 H SER A 1 22.207 9.233 2.924 1.00 5.98 H new ATOM 0 HA SER A 1 22.873 11.850 1.791 1.00 5.55 H new ATOM 0 HB2 SER A 1 24.750 11.342 3.332 1.00 5.73 H new ATOM 0 HB3 SER A 1 24.946 9.762 2.600 1.00 5.73 H new ATOM 0 HG SER A 1 25.022 11.358 0.547 1.00 6.24 H new ATOM 21 N SER A 2 22.383 8.896 0.703 1.00 4.86 N ATOM 22 CA SER A 2 22.167 8.072 -0.480 1.00 4.65 C ATOM 23 C SER A 2 20.813 7.374 -0.415 1.00 3.55 C ATOM 24 O SER A 2 20.519 6.491 -1.221 1.00 3.84 O ATOM 25 CB SER A 2 23.284 7.037 -0.612 1.00 5.55 C ATOM 26 OG SER A 2 23.367 6.228 0.547 1.00 5.99 O ATOM 0 H SER A 2 22.005 8.503 1.565 1.00 4.86 H new ATOM 0 HA SER A 2 22.177 8.721 -1.355 1.00 4.65 H new ATOM 0 HB2 SER A 2 23.102 6.410 -1.485 1.00 5.55 H new ATOM 0 HB3 SER A 2 24.236 7.543 -0.775 1.00 5.55 H new ATOM 0 HG SER A 2 24.087 6.557 1.124 1.00 5.99 H new ATOM 32 N ILE A 3 19.992 7.777 0.550 1.00 2.69 N ATOM 33 CA ILE A 3 18.668 7.193 0.724 1.00 1.87 C ATOM 34 C ILE A 3 17.603 8.036 0.026 1.00 1.35 C ATOM 35 O ILE A 3 16.563 7.525 -0.391 1.00 1.91 O ATOM 36 CB ILE A 3 18.310 7.053 2.218 1.00 2.23 C ATOM 37 CG1 ILE A 3 16.964 6.341 2.390 1.00 2.35 C ATOM 38 CG2 ILE A 3 18.282 8.418 2.889 1.00 2.72 C ATOM 39 CD1 ILE A 3 16.971 4.904 1.917 1.00 2.23 C ATOM 0 H ILE A 3 20.222 8.507 1.224 1.00 2.69 H new ATOM 0 HA ILE A 3 18.692 6.201 0.273 1.00 1.87 H new ATOM 0 HB ILE A 3 19.079 6.448 2.698 1.00 2.23 H new ATOM 0 HG12 ILE A 3 16.682 6.366 3.442 1.00 2.35 H new ATOM 0 HG13 ILE A 3 16.199 6.891 1.841 1.00 2.35 H new ATOM 0 HG21 ILE A 3 18.028 8.300 3.942 1.00 2.72 H new ATOM 0 HG22 ILE A 3 19.263 8.886 2.802 1.00 2.72 H new ATOM 0 HG23 ILE A 3 17.536 9.047 2.404 1.00 2.72 H new ATOM 0 HD11 ILE A 3 15.985 4.466 2.070 1.00 2.23 H new ATOM 0 HD12 ILE A 3 17.222 4.871 0.857 1.00 2.23 H new ATOM 0 HD13 ILE A 3 17.711 4.338 2.483 1.00 2.23 H new ATOM 51 N THR A 4 17.874 9.332 -0.101 1.00 1.51 N ATOM 52 CA THR A 4 16.945 10.251 -0.746 1.00 1.85 C ATOM 53 C THR A 4 17.296 10.442 -2.219 1.00 1.58 C ATOM 54 O THR A 4 18.379 10.059 -2.664 1.00 1.84 O ATOM 55 CB THR A 4 16.939 11.624 -0.052 1.00 3.01 C ATOM 56 OG1 THR A 4 18.241 12.219 -0.127 1.00 3.60 O ATOM 57 CG2 THR A 4 16.522 11.491 1.406 1.00 3.68 C ATOM 0 H THR A 4 18.732 9.769 0.236 1.00 1.51 H new ATOM 0 HA THR A 4 15.953 9.807 -0.664 1.00 1.85 H new ATOM 0 HB THR A 4 16.219 12.261 -0.565 1.00 3.01 H new ATOM 0 HG1 THR A 4 18.227 13.093 0.316 1.00 3.60 H new ATOM 0 HG21 THR A 4 16.525 12.474 1.876 1.00 3.68 H new ATOM 0 HG22 THR A 4 15.520 11.066 1.460 1.00 3.68 H new ATOM 0 HG23 THR A 4 17.222 10.838 1.927 1.00 3.68 H new ATOM 65 N GLY A 5 16.376 11.040 -2.969 1.00 1.36 N ATOM 66 CA GLY A 5 16.608 11.272 -4.383 1.00 1.29 C ATOM 67 C GLY A 5 16.253 10.071 -5.237 1.00 1.13 C ATOM 68 O GLY A 5 16.752 9.924 -6.353 1.00 1.34 O ATOM 0 H GLY A 5 15.474 11.368 -2.623 1.00 1.36 H new ATOM 0 HA2 GLY A 5 16.020 12.131 -4.708 1.00 1.29 H new ATOM 0 HA3 GLY A 5 17.656 11.526 -4.538 1.00 1.29 H new ATOM 72 N ILE A 6 15.390 9.208 -4.708 1.00 0.84 N ATOM 73 CA ILE A 6 14.967 8.011 -5.424 1.00 0.72 C ATOM 74 C ILE A 6 14.166 8.377 -6.671 1.00 0.71 C ATOM 75 O ILE A 6 13.460 9.384 -6.694 1.00 0.85 O ATOM 76 CB ILE A 6 14.115 7.090 -4.530 1.00 0.64 C ATOM 77 CG1 ILE A 6 14.821 6.852 -3.189 1.00 0.78 C ATOM 78 CG2 ILE A 6 13.843 5.768 -5.239 1.00 0.90 C ATOM 79 CD1 ILE A 6 14.079 5.908 -2.266 1.00 0.88 C ATOM 0 H ILE A 6 14.970 9.317 -3.785 1.00 0.84 H new ATOM 0 HA ILE A 6 15.872 7.479 -5.717 1.00 0.72 H new ATOM 0 HB ILE A 6 13.159 7.576 -4.334 1.00 0.64 H new ATOM 0 HG12 ILE A 6 15.817 6.451 -3.379 1.00 0.78 H new ATOM 0 HG13 ILE A 6 14.954 7.809 -2.684 1.00 0.78 H new ATOM 0 HG21 ILE A 6 13.240 5.127 -4.595 1.00 0.90 H new ATOM 0 HG22 ILE A 6 13.306 5.957 -6.168 1.00 0.90 H new ATOM 0 HG23 ILE A 6 14.788 5.273 -5.461 1.00 0.90 H new ATOM 0 HD11 ILE A 6 14.640 5.790 -1.339 1.00 0.88 H new ATOM 0 HD12 ILE A 6 13.093 6.316 -2.044 1.00 0.88 H new ATOM 0 HD13 ILE A 6 13.969 4.937 -2.750 1.00 0.88 H new ATOM 91 N SER A 7 14.283 7.547 -7.703 1.00 0.67 N ATOM 92 CA SER A 7 13.572 7.780 -8.955 1.00 0.69 C ATOM 93 C SER A 7 12.488 6.724 -9.169 1.00 0.58 C ATOM 94 O SER A 7 12.671 5.559 -8.813 1.00 0.54 O ATOM 95 CB SER A 7 14.552 7.766 -10.128 1.00 0.81 C ATOM 96 OG SER A 7 15.218 6.520 -10.223 1.00 1.60 O ATOM 0 H SER A 7 14.863 6.708 -7.697 1.00 0.67 H new ATOM 0 HA SER A 7 13.095 8.758 -8.899 1.00 0.69 H new ATOM 0 HB2 SER A 7 14.016 7.967 -11.056 1.00 0.81 H new ATOM 0 HB3 SER A 7 15.284 8.564 -10.004 1.00 0.81 H new ATOM 0 HG SER A 7 15.837 6.537 -10.982 1.00 1.60 H new ATOM 102 N PRO A 8 11.341 7.116 -9.756 1.00 0.57 N ATOM 103 CA PRO A 8 10.232 6.194 -10.013 1.00 0.48 C ATOM 104 C PRO A 8 10.494 5.294 -11.214 1.00 0.47 C ATOM 105 O PRO A 8 11.084 5.722 -12.206 1.00 0.58 O ATOM 106 CB PRO A 8 9.061 7.133 -10.294 1.00 0.49 C ATOM 107 CG PRO A 8 9.692 8.344 -10.887 1.00 0.69 C ATOM 108 CD PRO A 8 11.034 8.487 -10.218 1.00 0.67 C ATOM 0 HA PRO A 8 10.063 5.511 -9.180 1.00 0.48 H new ATOM 0 HB2 PRO A 8 8.345 6.681 -10.981 1.00 0.49 H new ATOM 0 HB3 PRO A 8 8.517 7.375 -9.381 1.00 0.49 H new ATOM 0 HG2 PRO A 8 9.804 8.236 -11.966 1.00 0.69 H new ATOM 0 HG3 PRO A 8 9.076 9.227 -10.717 1.00 0.69 H new ATOM 0 HD2 PRO A 8 11.790 8.855 -10.911 1.00 0.67 H new ATOM 0 HD3 PRO A 8 10.994 9.191 -9.387 1.00 0.67 H new ATOM 116 N ILE A 9 10.050 4.043 -11.119 1.00 0.41 N ATOM 117 CA ILE A 9 10.235 3.081 -12.197 1.00 0.46 C ATOM 118 C ILE A 9 9.033 3.070 -13.137 1.00 0.45 C ATOM 119 O ILE A 9 9.181 3.183 -14.353 1.00 0.53 O ATOM 120 CB ILE A 9 10.457 1.661 -11.653 1.00 0.48 C ATOM 121 CG1 ILE A 9 11.533 1.678 -10.566 1.00 0.51 C ATOM 122 CG2 ILE A 9 10.850 0.720 -12.784 1.00 0.65 C ATOM 123 CD1 ILE A 9 11.797 0.320 -9.957 1.00 1.53 C ATOM 0 H ILE A 9 9.559 3.674 -10.305 1.00 0.41 H new ATOM 0 HA ILE A 9 11.122 3.393 -12.748 1.00 0.46 H new ATOM 0 HB ILE A 9 9.527 1.300 -11.214 1.00 0.48 H new ATOM 0 HG12 ILE A 9 12.460 2.064 -10.990 1.00 0.51 H new ATOM 0 HG13 ILE A 9 11.231 2.368 -9.778 1.00 0.51 H new ATOM 0 HG21 ILE A 9 11.005 -0.283 -12.386 1.00 0.65 H new ATOM 0 HG22 ILE A 9 10.056 0.696 -13.530 1.00 0.65 H new ATOM 0 HG23 ILE A 9 11.772 1.073 -13.247 1.00 0.65 H new ATOM 0 HD11 ILE A 9 12.571 0.407 -9.194 1.00 1.53 H new ATOM 0 HD12 ILE A 9 10.881 -0.059 -9.503 1.00 1.53 H new ATOM 0 HD13 ILE A 9 12.129 -0.369 -10.734 1.00 1.53 H new ATOM 135 N THR A 10 7.842 2.936 -12.559 1.00 0.41 N ATOM 136 CA THR A 10 6.608 2.910 -13.338 1.00 0.42 C ATOM 137 C THR A 10 5.434 3.435 -12.525 1.00 0.31 C ATOM 138 O THR A 10 5.403 3.305 -11.302 1.00 0.28 O ATOM 139 CB THR A 10 6.285 1.487 -13.832 1.00 0.52 C ATOM 140 OG1 THR A 10 5.026 1.477 -14.516 1.00 0.54 O ATOM 141 CG2 THR A 10 6.244 0.506 -12.667 1.00 0.53 C ATOM 0 H THR A 10 7.706 2.844 -11.552 1.00 0.41 H new ATOM 0 HA THR A 10 6.765 3.557 -14.201 1.00 0.42 H new ATOM 0 HB THR A 10 7.072 1.178 -14.520 1.00 0.52 H new ATOM 0 HG1 THR A 10 4.830 0.569 -14.828 1.00 0.54 H new ATOM 0 HG21 THR A 10 6.014 -0.492 -13.040 1.00 0.53 H new ATOM 0 HG22 THR A 10 7.213 0.493 -12.168 1.00 0.53 H new ATOM 0 HG23 THR A 10 5.475 0.814 -11.958 1.00 0.53 H new ATOM 149 N GLU A 11 4.467 4.029 -13.217 1.00 0.34 N ATOM 150 CA GLU A 11 3.290 4.581 -12.561 1.00 0.27 C ATOM 151 C GLU A 11 2.025 4.271 -13.354 1.00 0.23 C ATOM 152 O GLU A 11 1.982 4.461 -14.569 1.00 0.32 O ATOM 153 CB GLU A 11 3.446 6.093 -12.396 1.00 0.35 C ATOM 154 CG GLU A 11 2.419 6.704 -11.463 1.00 1.07 C ATOM 155 CD GLU A 11 2.638 8.187 -11.239 1.00 1.05 C ATOM 156 OE1 GLU A 11 2.196 8.988 -12.089 1.00 1.46 O ATOM 157 OE2 GLU A 11 3.254 8.548 -10.213 1.00 0.76 O ATOM 0 H GLU A 11 4.476 4.140 -14.231 1.00 0.34 H new ATOM 0 HA GLU A 11 3.198 4.118 -11.579 1.00 0.27 H new ATOM 0 HB2 GLU A 11 4.445 6.309 -12.017 1.00 0.35 H new ATOM 0 HB3 GLU A 11 3.367 6.568 -13.374 1.00 0.35 H new ATOM 0 HG2 GLU A 11 1.422 6.547 -11.874 1.00 1.07 H new ATOM 0 HG3 GLU A 11 2.453 6.187 -10.504 1.00 1.07 H new ATOM 164 N TYR A 12 0.996 3.791 -12.658 1.00 0.33 N ATOM 165 CA TYR A 12 -0.270 3.458 -13.304 1.00 0.46 C ATOM 166 C TYR A 12 -1.424 3.518 -12.309 1.00 0.33 C ATOM 167 O TYR A 12 -1.209 3.561 -11.099 1.00 0.28 O ATOM 168 CB TYR A 12 -0.197 2.065 -13.935 1.00 0.67 C ATOM 169 CG TYR A 12 0.157 0.969 -12.955 1.00 0.46 C ATOM 170 CD1 TYR A 12 -0.832 0.298 -12.246 1.00 0.62 C ATOM 171 CD2 TYR A 12 1.481 0.603 -12.741 1.00 0.71 C ATOM 172 CE1 TYR A 12 -0.513 -0.703 -11.351 1.00 1.16 C ATOM 173 CE2 TYR A 12 1.807 -0.400 -11.848 1.00 1.26 C ATOM 174 CZ TYR A 12 0.807 -1.049 -11.156 1.00 1.50 C ATOM 175 OH TYR A 12 1.127 -2.049 -10.265 1.00 2.11 O ATOM 0 H TYR A 12 1.014 3.625 -11.652 1.00 0.33 H new ATOM 0 HA TYR A 12 -0.451 4.194 -14.087 1.00 0.46 H new ATOM 0 HB2 TYR A 12 -1.158 1.833 -14.393 1.00 0.67 H new ATOM 0 HB3 TYR A 12 0.543 2.077 -14.735 1.00 0.67 H new ATOM 0 HD1 TYR A 12 -1.868 0.564 -12.398 1.00 0.62 H new ATOM 0 HD2 TYR A 12 2.267 1.110 -13.281 1.00 0.71 H new ATOM 0 HE1 TYR A 12 -1.294 -1.213 -10.806 1.00 1.16 H new ATOM 0 HE2 TYR A 12 2.840 -0.674 -11.693 1.00 1.26 H new ATOM 0 HH TYR A 12 0.395 -2.699 -10.226 1.00 2.11 H new ATOM 185 N LEU A 13 -2.649 3.519 -12.829 1.00 0.42 N ATOM 186 CA LEU A 13 -3.839 3.574 -11.987 1.00 0.35 C ATOM 187 C LEU A 13 -4.404 2.178 -11.747 1.00 0.29 C ATOM 188 O LEU A 13 -4.545 1.385 -12.677 1.00 0.35 O ATOM 189 CB LEU A 13 -4.906 4.465 -12.629 1.00 0.45 C ATOM 190 CG LEU A 13 -4.502 5.932 -12.811 1.00 0.59 C ATOM 191 CD1 LEU A 13 -5.591 6.699 -13.545 1.00 1.17 C ATOM 192 CD2 LEU A 13 -4.210 6.577 -11.464 1.00 0.93 C ATOM 0 H LEU A 13 -2.843 3.482 -13.830 1.00 0.42 H new ATOM 0 HA LEU A 13 -3.551 3.999 -11.026 1.00 0.35 H new ATOM 0 HB2 LEU A 13 -5.164 4.051 -13.604 1.00 0.45 H new ATOM 0 HB3 LEU A 13 -5.807 4.425 -12.017 1.00 0.45 H new ATOM 0 HG LEU A 13 -3.593 5.966 -13.412 1.00 0.59 H new ATOM 0 HD11 LEU A 13 -5.286 7.739 -13.665 1.00 1.17 H new ATOM 0 HD12 LEU A 13 -5.752 6.253 -14.526 1.00 1.17 H new ATOM 0 HD13 LEU A 13 -6.516 6.656 -12.971 1.00 1.17 H new ATOM 0 HD21 LEU A 13 -3.925 7.618 -11.613 1.00 0.93 H new ATOM 0 HD22 LEU A 13 -5.101 6.531 -10.838 1.00 0.93 H new ATOM 0 HD23 LEU A 13 -3.395 6.044 -10.975 1.00 0.93 H new ATOM 204 N ALA A 14 -4.728 1.887 -10.488 1.00 0.22 N ATOM 205 CA ALA A 14 -5.277 0.589 -10.115 1.00 0.20 C ATOM 206 C ALA A 14 -5.951 0.654 -8.748 1.00 0.20 C ATOM 207 O ALA A 14 -5.462 1.319 -7.835 1.00 0.32 O ATOM 208 CB ALA A 14 -4.182 -0.468 -10.117 1.00 0.30 C ATOM 0 H ALA A 14 -4.619 2.536 -9.709 1.00 0.22 H new ATOM 0 HA ALA A 14 -6.032 0.314 -10.852 1.00 0.20 H new ATOM 0 HB1 ALA A 14 -4.606 -1.432 -9.837 1.00 0.30 H new ATOM 0 HB2 ALA A 14 -3.747 -0.539 -11.114 1.00 0.30 H new ATOM 0 HB3 ALA A 14 -3.407 -0.191 -9.402 1.00 0.30 H new ATOM 214 N SER A 15 -7.076 -0.040 -8.615 1.00 0.27 N ATOM 215 CA SER A 15 -7.822 -0.056 -7.361 1.00 0.32 C ATOM 216 C SER A 15 -7.486 -1.292 -6.532 1.00 0.30 C ATOM 217 O SER A 15 -7.338 -2.390 -7.070 1.00 0.29 O ATOM 218 CB SER A 15 -9.325 -0.013 -7.642 1.00 0.40 C ATOM 219 OG SER A 15 -10.073 -0.064 -6.440 1.00 1.30 O ATOM 0 H SER A 15 -7.492 -0.599 -9.360 1.00 0.27 H new ATOM 0 HA SER A 15 -7.535 0.826 -6.789 1.00 0.32 H new ATOM 0 HB2 SER A 15 -9.570 0.899 -8.187 1.00 0.40 H new ATOM 0 HB3 SER A 15 -9.602 -0.851 -8.282 1.00 0.40 H new ATOM 0 HG SER A 15 -10.362 0.840 -6.196 1.00 1.30 H new ATOM 225 N LEU A 16 -7.364 -1.105 -5.221 1.00 0.31 N ATOM 226 CA LEU A 16 -7.054 -2.206 -4.314 1.00 0.30 C ATOM 227 C LEU A 16 -8.300 -3.048 -4.053 1.00 0.29 C ATOM 228 O LEU A 16 -9.347 -2.521 -3.670 1.00 0.37 O ATOM 229 CB LEU A 16 -6.495 -1.674 -2.988 1.00 0.34 C ATOM 230 CG LEU A 16 -5.070 -1.104 -3.036 1.00 0.35 C ATOM 231 CD1 LEU A 16 -4.088 -2.139 -3.562 1.00 1.11 C ATOM 232 CD2 LEU A 16 -5.018 0.159 -3.884 1.00 0.98 C ATOM 0 H LEU A 16 -7.475 -0.201 -4.763 1.00 0.31 H new ATOM 0 HA LEU A 16 -6.297 -2.832 -4.786 1.00 0.30 H new ATOM 0 HB2 LEU A 16 -7.164 -0.895 -2.621 1.00 0.34 H new ATOM 0 HB3 LEU A 16 -6.517 -2.483 -2.257 1.00 0.34 H new ATOM 0 HG LEU A 16 -4.780 -0.845 -2.018 1.00 0.35 H new ATOM 0 HD11 LEU A 16 -3.086 -1.711 -3.586 1.00 1.11 H new ATOM 0 HD12 LEU A 16 -4.094 -3.011 -2.908 1.00 1.11 H new ATOM 0 HD13 LEU A 16 -4.379 -2.438 -4.569 1.00 1.11 H new ATOM 0 HD21 LEU A 16 -3.998 0.543 -3.902 1.00 0.98 H new ATOM 0 HD22 LEU A 16 -5.337 -0.072 -4.900 1.00 0.98 H new ATOM 0 HD23 LEU A 16 -5.682 0.911 -3.457 1.00 0.98 H new ATOM 244 N SER A 17 -8.187 -4.357 -4.266 1.00 0.21 N ATOM 245 CA SER A 17 -9.311 -5.263 -4.055 1.00 0.21 C ATOM 246 C SER A 17 -8.921 -6.428 -3.149 1.00 0.19 C ATOM 247 O SER A 17 -7.919 -7.103 -3.384 1.00 0.22 O ATOM 248 CB SER A 17 -9.820 -5.797 -5.394 1.00 0.25 C ATOM 249 OG SER A 17 -10.270 -4.743 -6.227 1.00 0.98 O ATOM 0 H SER A 17 -7.331 -4.812 -4.584 1.00 0.21 H new ATOM 0 HA SER A 17 -10.105 -4.700 -3.566 1.00 0.21 H new ATOM 0 HB2 SER A 17 -9.024 -6.346 -5.896 1.00 0.25 H new ATOM 0 HB3 SER A 17 -10.634 -6.501 -5.222 1.00 0.25 H new ATOM 0 HG SER A 17 -10.589 -5.111 -7.077 1.00 0.98 H new ATOM 255 N THR A 18 -9.724 -6.661 -2.111 1.00 0.18 N ATOM 256 CA THR A 18 -9.469 -7.747 -1.172 1.00 0.19 C ATOM 257 C THR A 18 -9.556 -9.101 -1.868 1.00 0.21 C ATOM 258 O THR A 18 -9.981 -9.193 -3.019 1.00 0.31 O ATOM 259 CB THR A 18 -10.472 -7.725 -0.003 1.00 0.18 C ATOM 260 OG1 THR A 18 -11.773 -8.095 -0.470 1.00 0.23 O ATOM 261 CG2 THR A 18 -10.533 -6.343 0.634 1.00 0.18 C ATOM 0 H THR A 18 -10.557 -6.110 -1.901 1.00 0.18 H new ATOM 0 HA THR A 18 -8.462 -7.600 -0.782 1.00 0.19 H new ATOM 0 HB THR A 18 -10.136 -8.440 0.748 1.00 0.18 H new ATOM 0 HG1 THR A 18 -12.345 -8.314 0.295 1.00 0.23 H new ATOM 0 HG21 THR A 18 -11.248 -6.353 1.457 1.00 0.18 H new ATOM 0 HG22 THR A 18 -9.547 -6.073 1.013 1.00 0.18 H new ATOM 0 HG23 THR A 18 -10.848 -5.612 -0.111 1.00 0.18 H new ATOM 269 N TYR A 19 -9.155 -10.152 -1.158 1.00 0.21 N ATOM 270 CA TYR A 19 -9.184 -11.502 -1.707 1.00 0.23 C ATOM 271 C TYR A 19 -10.608 -12.053 -1.721 1.00 0.24 C ATOM 272 O TYR A 19 -10.864 -13.121 -2.278 1.00 0.29 O ATOM 273 CB TYR A 19 -8.269 -12.422 -0.894 1.00 0.28 C ATOM 274 CG TYR A 19 -8.000 -13.755 -1.560 1.00 0.33 C ATOM 275 CD1 TYR A 19 -7.127 -13.851 -2.636 1.00 0.39 C ATOM 276 CD2 TYR A 19 -8.618 -14.914 -1.110 1.00 0.36 C ATOM 277 CE1 TYR A 19 -6.880 -15.065 -3.247 1.00 0.45 C ATOM 278 CE2 TYR A 19 -8.376 -16.133 -1.715 1.00 0.42 C ATOM 279 CZ TYR A 19 -7.504 -16.203 -2.783 1.00 0.45 C ATOM 280 OH TYR A 19 -7.260 -17.413 -3.388 1.00 0.52 O ATOM 0 H TYR A 19 -8.806 -10.093 -0.201 1.00 0.21 H new ATOM 0 HA TYR A 19 -8.823 -11.461 -2.735 1.00 0.23 H new ATOM 0 HB2 TYR A 19 -7.320 -11.915 -0.720 1.00 0.28 H new ATOM 0 HB3 TYR A 19 -8.720 -12.598 0.082 1.00 0.28 H new ATOM 0 HD1 TYR A 19 -6.633 -12.962 -3.001 1.00 0.39 H new ATOM 0 HD2 TYR A 19 -9.299 -14.862 -0.273 1.00 0.36 H new ATOM 0 HE1 TYR A 19 -6.201 -15.122 -4.085 1.00 0.45 H new ATOM 0 HE2 TYR A 19 -8.866 -17.025 -1.354 1.00 0.42 H new ATOM 0 HH TYR A 19 -7.778 -18.114 -2.939 1.00 0.52 H new ATOM 290 N ASN A 20 -11.532 -11.318 -1.110 1.00 0.22 N ATOM 291 CA ASN A 20 -12.928 -11.735 -1.057 1.00 0.27 C ATOM 292 C ASN A 20 -13.720 -11.116 -2.207 1.00 0.26 C ATOM 293 O ASN A 20 -14.928 -10.910 -2.104 1.00 0.30 O ATOM 294 CB ASN A 20 -13.555 -11.341 0.283 1.00 0.32 C ATOM 295 CG ASN A 20 -14.787 -12.162 0.613 1.00 1.21 C ATOM 296 OD1 ASN A 20 -15.498 -12.629 -0.278 1.00 2.23 O ATOM 297 ND2 ASN A 20 -15.046 -12.346 1.903 1.00 1.58 N ATOM 0 H ASN A 20 -11.339 -10.431 -0.645 1.00 0.22 H new ATOM 0 HA ASN A 20 -12.962 -12.820 -1.155 1.00 0.27 H new ATOM 0 HB2 ASN A 20 -12.817 -11.465 1.076 1.00 0.32 H new ATOM 0 HB3 ASN A 20 -13.822 -10.285 0.258 1.00 0.32 H new ATOM 0 HD21 ASN A 20 -15.860 -12.892 2.187 1.00 1.58 H new ATOM 0 HD22 ASN A 20 -14.431 -11.942 2.609 1.00 1.58 H new ATOM 304 N ASP A 21 -13.023 -10.819 -3.301 1.00 0.26 N ATOM 305 CA ASP A 21 -13.651 -10.225 -4.478 1.00 0.30 C ATOM 306 C ASP A 21 -14.303 -8.887 -4.143 1.00 0.31 C ATOM 307 O ASP A 21 -15.282 -8.486 -4.775 1.00 0.54 O ATOM 308 CB ASP A 21 -14.691 -11.182 -5.066 1.00 0.36 C ATOM 309 CG ASP A 21 -14.076 -12.486 -5.537 1.00 1.14 C ATOM 310 OD1 ASP A 21 -13.625 -12.542 -6.700 1.00 1.01 O ATOM 311 OD2 ASP A 21 -14.049 -13.449 -4.742 1.00 2.07 O ATOM 0 H ASP A 21 -12.020 -10.981 -3.397 1.00 0.26 H new ATOM 0 HA ASP A 21 -12.871 -10.046 -5.218 1.00 0.30 H new ATOM 0 HB2 ASP A 21 -15.452 -11.393 -4.315 1.00 0.36 H new ATOM 0 HB3 ASP A 21 -15.194 -10.698 -5.903 1.00 0.36 H new ATOM 316 N GLN A 22 -13.754 -8.198 -3.147 1.00 0.22 N ATOM 317 CA GLN A 22 -14.279 -6.901 -2.734 1.00 0.21 C ATOM 318 C GLN A 22 -13.285 -5.794 -3.075 1.00 0.20 C ATOM 319 O GLN A 22 -12.091 -6.048 -3.225 1.00 0.29 O ATOM 320 CB GLN A 22 -14.569 -6.900 -1.231 1.00 0.22 C ATOM 321 CG GLN A 22 -15.472 -8.039 -0.788 1.00 0.30 C ATOM 322 CD GLN A 22 -15.705 -8.057 0.711 1.00 0.37 C ATOM 323 OE1 GLN A 22 -15.700 -6.882 1.329 1.00 1.13 O flip ATOM 324 NE2 GLN A 22 -15.893 -9.118 1.306 1.00 1.17 N flip ATOM 0 H GLN A 22 -12.946 -8.516 -2.611 1.00 0.22 H new ATOM 0 HA GLN A 22 -15.209 -6.716 -3.272 1.00 0.21 H new ATOM 0 HB2 GLN A 22 -13.626 -6.961 -0.687 1.00 0.22 H new ATOM 0 HB3 GLN A 22 -15.033 -5.952 -0.959 1.00 0.22 H new ATOM 0 HG2 GLN A 22 -16.431 -7.956 -1.299 1.00 0.30 H new ATOM 0 HG3 GLN A 22 -15.029 -8.987 -1.094 1.00 0.30 H new ATOM 0 HE21 GLN A 22 -15.889 -9.999 0.792 1.00 1.17 H new ATOM 0 HE22 GLN A 22 -16.053 -9.116 2.313 1.00 1.17 H new ATOM 333 N SER A 23 -13.782 -4.568 -3.199 1.00 0.29 N ATOM 334 CA SER A 23 -12.930 -3.429 -3.525 1.00 0.31 C ATOM 335 C SER A 23 -12.896 -2.426 -2.379 1.00 0.26 C ATOM 336 O SER A 23 -13.832 -2.345 -1.581 1.00 0.23 O ATOM 337 CB SER A 23 -13.424 -2.745 -4.799 1.00 0.37 C ATOM 338 OG SER A 23 -13.404 -3.639 -5.898 1.00 1.17 O ATOM 0 H SER A 23 -14.768 -4.337 -3.079 1.00 0.29 H new ATOM 0 HA SER A 23 -11.918 -3.801 -3.687 1.00 0.31 H new ATOM 0 HB2 SER A 23 -14.437 -2.374 -4.647 1.00 0.37 H new ATOM 0 HB3 SER A 23 -12.797 -1.881 -5.018 1.00 0.37 H new ATOM 0 HG SER A 23 -12.498 -3.994 -6.014 1.00 1.17 H new ATOM 344 N ILE A 24 -11.808 -1.663 -2.301 1.00 0.28 N ATOM 345 CA ILE A 24 -11.650 -0.663 -1.252 1.00 0.26 C ATOM 346 C ILE A 24 -12.124 0.705 -1.733 1.00 0.26 C ATOM 347 O ILE A 24 -11.862 1.096 -2.870 1.00 0.45 O ATOM 348 CB ILE A 24 -10.178 -0.548 -0.801 1.00 0.29 C ATOM 349 CG1 ILE A 24 -9.565 -1.938 -0.588 1.00 0.32 C ATOM 350 CG2 ILE A 24 -10.075 0.282 0.471 1.00 0.31 C ATOM 351 CD1 ILE A 24 -10.193 -2.724 0.543 1.00 0.31 C ATOM 0 H ILE A 24 -11.025 -1.719 -2.952 1.00 0.28 H new ATOM 0 HA ILE A 24 -12.258 -0.987 -0.407 1.00 0.26 H new ATOM 0 HB ILE A 24 -9.617 -0.045 -1.589 1.00 0.29 H new ATOM 0 HG12 ILE A 24 -9.660 -2.511 -1.511 1.00 0.32 H new ATOM 0 HG13 ILE A 24 -8.499 -1.827 -0.391 1.00 0.32 H new ATOM 0 HG21 ILE A 24 -9.031 0.353 0.775 1.00 0.31 H new ATOM 0 HG22 ILE A 24 -10.468 1.282 0.286 1.00 0.31 H new ATOM 0 HG23 ILE A 24 -10.652 -0.194 1.264 1.00 0.31 H new ATOM 0 HD11 ILE A 24 -9.703 -3.694 0.628 1.00 0.31 H new ATOM 0 HD12 ILE A 24 -10.075 -2.175 1.477 1.00 0.31 H new ATOM 0 HD13 ILE A 24 -11.254 -2.870 0.340 1.00 0.31 H new ATOM 363 N THR A 25 -12.822 1.427 -0.862 1.00 0.32 N ATOM 364 CA THR A 25 -13.328 2.752 -1.203 1.00 0.35 C ATOM 365 C THR A 25 -12.678 3.824 -0.334 1.00 0.38 C ATOM 366 O THR A 25 -12.449 3.617 0.857 1.00 0.46 O ATOM 367 CB THR A 25 -14.858 2.828 -1.039 1.00 0.40 C ATOM 368 OG1 THR A 25 -15.484 1.772 -1.776 1.00 0.40 O ATOM 369 CG2 THR A 25 -15.389 4.169 -1.525 1.00 0.44 C ATOM 0 H THR A 25 -13.050 1.118 0.083 1.00 0.32 H new ATOM 0 HA THR A 25 -13.075 2.931 -2.248 1.00 0.35 H new ATOM 0 HB THR A 25 -15.091 2.722 0.020 1.00 0.40 H new ATOM 0 HG1 THR A 25 -16.456 1.827 -1.665 1.00 0.40 H new ATOM 0 HG21 THR A 25 -16.471 4.199 -1.399 1.00 0.44 H new ATOM 0 HG22 THR A 25 -14.934 4.972 -0.945 1.00 0.44 H new ATOM 0 HG23 THR A 25 -15.143 4.298 -2.579 1.00 0.44 H new ATOM 377 N PHE A 26 -12.382 4.971 -0.939 1.00 0.37 N ATOM 378 CA PHE A 26 -11.756 6.075 -0.221 1.00 0.40 C ATOM 379 C PHE A 26 -12.579 7.352 -0.352 1.00 0.48 C ATOM 380 O PHE A 26 -12.476 8.068 -1.349 1.00 0.52 O ATOM 381 CB PHE A 26 -10.339 6.318 -0.747 1.00 0.39 C ATOM 382 CG PHE A 26 -9.445 5.115 -0.646 1.00 0.36 C ATOM 383 CD1 PHE A 26 -9.458 4.138 -1.630 1.00 0.38 C ATOM 384 CD2 PHE A 26 -8.591 4.960 0.434 1.00 0.37 C ATOM 385 CE1 PHE A 26 -8.636 3.031 -1.536 1.00 0.40 C ATOM 386 CE2 PHE A 26 -7.767 3.855 0.532 1.00 0.38 C ATOM 387 CZ PHE A 26 -7.787 2.891 -0.460 1.00 0.39 C ATOM 0 H PHE A 26 -12.566 5.159 -1.924 1.00 0.37 H new ATOM 0 HA PHE A 26 -11.706 5.802 0.833 1.00 0.40 H new ATOM 0 HB2 PHE A 26 -10.396 6.631 -1.789 1.00 0.39 H new ATOM 0 HB3 PHE A 26 -9.890 7.141 -0.191 1.00 0.39 H new ATOM 0 HD1 PHE A 26 -10.117 4.243 -2.479 1.00 0.38 H new ATOM 0 HD2 PHE A 26 -8.569 5.712 1.209 1.00 0.37 H new ATOM 0 HE1 PHE A 26 -8.659 2.275 -2.307 1.00 0.40 H new ATOM 0 HE2 PHE A 26 -7.109 3.744 1.381 1.00 0.38 H new ATOM 0 HZ PHE A 26 -7.138 2.030 -0.391 1.00 0.39 H new ATOM 397 N ALA A 27 -13.397 7.631 0.658 1.00 0.53 N ATOM 398 CA ALA A 27 -14.234 8.826 0.656 1.00 0.62 C ATOM 399 C ALA A 27 -13.633 9.910 1.542 1.00 0.64 C ATOM 400 O ALA A 27 -13.578 9.766 2.764 1.00 0.65 O ATOM 401 CB ALA A 27 -15.645 8.486 1.112 1.00 0.65 C ATOM 0 H ALA A 27 -13.498 7.046 1.488 1.00 0.53 H new ATOM 0 HA ALA A 27 -14.281 9.208 -0.364 1.00 0.62 H new ATOM 0 HB1 ALA A 27 -16.257 9.388 1.105 1.00 0.65 H new ATOM 0 HB2 ALA A 27 -16.078 7.749 0.436 1.00 0.65 H new ATOM 0 HB3 ALA A 27 -15.612 8.077 2.122 1.00 0.65 H new ATOM 407 N LEU A 28 -13.185 10.994 0.920 1.00 0.79 N ATOM 408 CA LEU A 28 -12.583 12.102 1.650 1.00 0.88 C ATOM 409 C LEU A 28 -13.422 13.367 1.512 1.00 0.88 C ATOM 410 O LEU A 28 -13.675 13.841 0.403 1.00 1.02 O ATOM 411 CB LEU A 28 -11.160 12.364 1.152 1.00 1.22 C ATOM 412 CG LEU A 28 -10.162 11.235 1.411 1.00 1.08 C ATOM 413 CD1 LEU A 28 -10.286 10.152 0.350 1.00 1.52 C ATOM 414 CD2 LEU A 28 -8.744 11.783 1.456 1.00 1.17 C ATOM 0 H LEU A 28 -13.228 11.129 -0.090 1.00 0.79 H new ATOM 0 HA LEU A 28 -12.544 11.825 2.704 1.00 0.88 H new ATOM 0 HB2 LEU A 28 -11.197 12.556 0.080 1.00 1.22 H new ATOM 0 HB3 LEU A 28 -10.788 13.272 1.626 1.00 1.22 H new ATOM 0 HG LEU A 28 -10.391 10.788 2.378 1.00 1.08 H new ATOM 0 HD11 LEU A 28 -9.567 9.359 0.554 1.00 1.52 H new ATOM 0 HD12 LEU A 28 -11.295 9.740 0.367 1.00 1.52 H new ATOM 0 HD13 LEU A 28 -10.085 10.580 -0.632 1.00 1.52 H new ATOM 0 HD21 LEU A 28 -8.045 10.968 1.641 1.00 1.17 H new ATOM 0 HD22 LEU A 28 -8.506 12.256 0.503 1.00 1.17 H new ATOM 0 HD23 LEU A 28 -8.664 12.519 2.256 1.00 1.17 H new ATOM 426 N GLU A 29 -13.850 13.909 2.646 1.00 0.83 N ATOM 427 CA GLU A 29 -14.660 15.119 2.662 1.00 0.96 C ATOM 428 C GLU A 29 -13.787 16.357 2.822 1.00 1.04 C ATOM 429 O GLU A 29 -12.560 16.276 2.748 1.00 1.03 O ATOM 430 CB GLU A 29 -15.686 15.057 3.794 1.00 1.00 C ATOM 431 CG GLU A 29 -16.618 13.858 3.706 1.00 1.07 C ATOM 432 CD GLU A 29 -17.512 13.904 2.481 1.00 1.79 C ATOM 433 OE1 GLU A 29 -17.094 13.396 1.421 1.00 2.42 O ATOM 434 OE2 GLU A 29 -18.630 14.451 2.585 1.00 2.32 O ATOM 0 H GLU A 29 -13.648 13.527 3.570 1.00 0.83 H new ATOM 0 HA GLU A 29 -15.184 15.186 1.708 1.00 0.96 H new ATOM 0 HB2 GLU A 29 -15.160 15.029 4.748 1.00 1.00 H new ATOM 0 HB3 GLU A 29 -16.281 15.970 3.785 1.00 1.00 H new ATOM 0 HG2 GLU A 29 -16.026 12.943 3.685 1.00 1.07 H new ATOM 0 HG3 GLU A 29 -17.237 13.817 4.602 1.00 1.07 H new ATOM 441 N ASP A 30 -14.429 17.504 3.032 1.00 1.19 N ATOM 442 CA ASP A 30 -13.720 18.768 3.201 1.00 1.30 C ATOM 443 C ASP A 30 -12.559 18.634 4.186 1.00 1.12 C ATOM 444 O ASP A 30 -11.541 19.311 4.049 1.00 1.19 O ATOM 445 CB ASP A 30 -14.685 19.851 3.686 1.00 1.51 C ATOM 446 CG ASP A 30 -15.803 20.117 2.696 1.00 1.91 C ATOM 447 OD1 ASP A 30 -15.619 20.977 1.809 1.00 2.03 O ATOM 448 OD2 ASP A 30 -16.862 19.466 2.809 1.00 2.56 O ATOM 0 H ASP A 30 -15.444 17.583 3.089 1.00 1.19 H new ATOM 0 HA ASP A 30 -13.310 19.050 2.231 1.00 1.30 H new ATOM 0 HB2 ASP A 30 -15.114 19.550 4.642 1.00 1.51 H new ATOM 0 HB3 ASP A 30 -14.132 20.774 3.862 1.00 1.51 H new ATOM 453 N GLU A 31 -12.716 17.757 5.176 1.00 0.94 N ATOM 454 CA GLU A 31 -11.672 17.552 6.175 1.00 0.83 C ATOM 455 C GLU A 31 -11.826 16.206 6.881 1.00 0.75 C ATOM 456 O GLU A 31 -11.115 15.922 7.843 1.00 0.74 O ATOM 457 CB GLU A 31 -11.703 18.678 7.209 1.00 0.84 C ATOM 458 CG GLU A 31 -13.001 18.739 7.999 1.00 0.91 C ATOM 459 CD GLU A 31 -13.008 19.857 9.022 1.00 0.99 C ATOM 460 OE1 GLU A 31 -12.379 19.691 10.088 1.00 1.15 O ATOM 461 OE2 GLU A 31 -13.640 20.901 8.756 1.00 0.95 O ATOM 0 H GLU A 31 -13.549 17.182 5.306 1.00 0.94 H new ATOM 0 HA GLU A 31 -10.714 17.557 5.655 1.00 0.83 H new ATOM 0 HB2 GLU A 31 -10.871 18.548 7.901 1.00 0.84 H new ATOM 0 HB3 GLU A 31 -11.550 19.631 6.702 1.00 0.84 H new ATOM 0 HG2 GLU A 31 -13.835 18.876 7.311 1.00 0.91 H new ATOM 0 HG3 GLU A 31 -13.159 17.787 8.506 1.00 0.91 H new ATOM 468 N SER A 32 -12.754 15.384 6.403 1.00 0.75 N ATOM 469 CA SER A 32 -12.987 14.078 7.007 1.00 0.72 C ATOM 470 C SER A 32 -12.364 12.966 6.169 1.00 0.67 C ATOM 471 O SER A 32 -12.179 13.112 4.961 1.00 0.83 O ATOM 472 CB SER A 32 -14.487 13.825 7.175 1.00 0.84 C ATOM 473 OG SER A 32 -15.102 14.867 7.913 1.00 1.53 O ATOM 0 H SER A 32 -13.353 15.597 5.605 1.00 0.75 H new ATOM 0 HA SER A 32 -12.513 14.076 7.989 1.00 0.72 H new ATOM 0 HB2 SER A 32 -14.957 13.743 6.195 1.00 0.84 H new ATOM 0 HB3 SER A 32 -14.644 12.874 7.684 1.00 0.84 H new ATOM 0 HG SER A 32 -16.060 14.682 8.004 1.00 1.53 H new ATOM 479 N TYR A 33 -12.036 11.859 6.826 1.00 0.57 N ATOM 480 CA TYR A 33 -11.435 10.716 6.152 1.00 0.50 C ATOM 481 C TYR A 33 -12.168 9.434 6.523 1.00 0.46 C ATOM 482 O TYR A 33 -12.294 9.098 7.701 1.00 0.59 O ATOM 483 CB TYR A 33 -9.953 10.600 6.521 1.00 0.53 C ATOM 484 CG TYR A 33 -9.156 11.846 6.206 1.00 0.60 C ATOM 485 CD1 TYR A 33 -9.047 12.875 7.133 1.00 0.72 C ATOM 486 CD2 TYR A 33 -8.510 11.992 4.984 1.00 0.58 C ATOM 487 CE1 TYR A 33 -8.318 14.015 6.850 1.00 0.80 C ATOM 488 CE2 TYR A 33 -7.778 13.128 4.695 1.00 0.67 C ATOM 489 CZ TYR A 33 -7.693 14.138 5.623 1.00 0.76 C ATOM 490 OH TYR A 33 -6.958 15.269 5.347 1.00 0.86 O ATOM 0 H TYR A 33 -12.177 11.730 7.828 1.00 0.57 H new ATOM 0 HA TYR A 33 -11.519 10.867 5.076 1.00 0.50 H new ATOM 0 HB2 TYR A 33 -9.867 10.382 7.586 1.00 0.53 H new ATOM 0 HB3 TYR A 33 -9.518 9.755 5.987 1.00 0.53 H new ATOM 0 HD1 TYR A 33 -9.540 12.783 8.090 1.00 0.72 H new ATOM 0 HD2 TYR A 33 -8.581 11.205 4.248 1.00 0.58 H new ATOM 0 HE1 TYR A 33 -8.237 14.804 7.583 1.00 0.80 H new ATOM 0 HE2 TYR A 33 -7.275 13.222 3.744 1.00 0.67 H new ATOM 0 HH TYR A 33 -6.662 15.247 4.413 1.00 0.86 H new ATOM 500 N GLU A 34 -12.653 8.719 5.513 1.00 0.46 N ATOM 501 CA GLU A 34 -13.382 7.478 5.739 1.00 0.42 C ATOM 502 C GLU A 34 -12.904 6.374 4.803 1.00 0.39 C ATOM 503 O GLU A 34 -12.731 6.592 3.604 1.00 0.46 O ATOM 504 CB GLU A 34 -14.883 7.707 5.552 1.00 0.50 C ATOM 505 CG GLU A 34 -15.467 8.725 6.520 1.00 0.55 C ATOM 506 CD GLU A 34 -16.958 8.919 6.333 1.00 1.50 C ATOM 507 OE1 GLU A 34 -17.348 9.769 5.504 1.00 2.46 O ATOM 508 OE2 GLU A 34 -17.738 8.221 7.017 1.00 1.48 O ATOM 0 H GLU A 34 -12.554 8.978 4.531 1.00 0.46 H new ATOM 0 HA GLU A 34 -13.190 7.159 6.764 1.00 0.42 H new ATOM 0 HB2 GLU A 34 -15.067 8.041 4.531 1.00 0.50 H new ATOM 0 HB3 GLU A 34 -15.405 6.758 5.676 1.00 0.50 H new ATOM 0 HG2 GLU A 34 -15.272 8.402 7.543 1.00 0.55 H new ATOM 0 HG3 GLU A 34 -14.960 9.681 6.386 1.00 0.55 H new ATOM 515 N ILE A 35 -12.693 5.188 5.365 1.00 0.34 N ATOM 516 CA ILE A 35 -12.237 4.039 4.593 1.00 0.32 C ATOM 517 C ILE A 35 -13.124 2.826 4.857 1.00 0.26 C ATOM 518 O ILE A 35 -13.267 2.388 5.998 1.00 0.32 O ATOM 519 CB ILE A 35 -10.775 3.681 4.926 1.00 0.39 C ATOM 520 CG1 ILE A 35 -9.868 4.891 4.687 1.00 0.46 C ATOM 521 CG2 ILE A 35 -10.318 2.489 4.096 1.00 0.44 C ATOM 522 CD1 ILE A 35 -8.427 4.668 5.097 1.00 0.54 C ATOM 0 H ILE A 35 -12.832 4.998 6.357 1.00 0.34 H new ATOM 0 HA ILE A 35 -12.299 4.313 3.540 1.00 0.32 H new ATOM 0 HB ILE A 35 -10.711 3.406 5.979 1.00 0.39 H new ATOM 0 HG12 ILE A 35 -9.898 5.152 3.629 1.00 0.46 H new ATOM 0 HG13 ILE A 35 -10.264 5.744 5.237 1.00 0.46 H new ATOM 0 HG21 ILE A 35 -9.284 2.249 4.343 1.00 0.44 H new ATOM 0 HG22 ILE A 35 -10.952 1.630 4.314 1.00 0.44 H new ATOM 0 HG23 ILE A 35 -10.391 2.734 3.036 1.00 0.44 H new ATOM 0 HD11 ILE A 35 -7.848 5.570 4.897 1.00 0.54 H new ATOM 0 HD12 ILE A 35 -8.383 4.437 6.161 1.00 0.54 H new ATOM 0 HD13 ILE A 35 -8.011 3.836 4.528 1.00 0.54 H new ATOM 534 N TYR A 36 -13.720 2.291 3.798 1.00 0.21 N ATOM 535 CA TYR A 36 -14.594 1.131 3.919 1.00 0.21 C ATOM 536 C TYR A 36 -14.501 0.242 2.685 1.00 0.23 C ATOM 537 O TYR A 36 -14.258 0.720 1.576 1.00 0.48 O ATOM 538 CB TYR A 36 -16.043 1.576 4.141 1.00 0.29 C ATOM 539 CG TYR A 36 -16.516 2.622 3.154 1.00 1.07 C ATOM 540 CD1 TYR A 36 -16.308 3.974 3.390 1.00 0.96 C ATOM 541 CD2 TYR A 36 -17.172 2.252 1.986 1.00 2.26 C ATOM 542 CE1 TYR A 36 -16.739 4.930 2.489 1.00 1.97 C ATOM 543 CE2 TYR A 36 -17.606 3.202 1.080 1.00 3.30 C ATOM 544 CZ TYR A 36 -17.391 4.547 1.346 1.00 3.14 C ATOM 545 OH TYR A 36 -17.818 5.487 0.437 1.00 4.17 O ATOM 0 H TYR A 36 -13.614 2.642 2.846 1.00 0.21 H new ATOM 0 HA TYR A 36 -14.265 0.551 4.781 1.00 0.21 H new ATOM 0 HB2 TYR A 36 -16.695 0.705 4.075 1.00 0.29 H new ATOM 0 HB3 TYR A 36 -16.141 1.972 5.152 1.00 0.29 H new ATOM 0 HD1 TYR A 36 -15.801 4.284 4.292 1.00 0.96 H new ATOM 0 HD2 TYR A 36 -17.346 1.206 1.783 1.00 2.26 H new ATOM 0 HE1 TYR A 36 -16.562 5.977 2.686 1.00 1.97 H new ATOM 0 HE2 TYR A 36 -18.108 2.900 0.173 1.00 3.30 H new ATOM 0 HH TYR A 36 -18.260 5.039 -0.314 1.00 4.17 H new ATOM 555 N VAL A 37 -14.694 -1.059 2.886 1.00 0.19 N ATOM 556 CA VAL A 37 -14.632 -2.025 1.797 1.00 0.17 C ATOM 557 C VAL A 37 -16.029 -2.366 1.283 1.00 0.18 C ATOM 558 O VAL A 37 -16.874 -2.853 2.035 1.00 0.27 O ATOM 559 CB VAL A 37 -13.934 -3.326 2.240 1.00 0.21 C ATOM 560 CG1 VAL A 37 -13.781 -4.280 1.064 1.00 0.24 C ATOM 561 CG2 VAL A 37 -12.583 -3.024 2.869 1.00 0.24 C ATOM 0 H VAL A 37 -14.895 -1.468 3.798 1.00 0.19 H new ATOM 0 HA VAL A 37 -14.054 -1.562 0.997 1.00 0.17 H new ATOM 0 HB VAL A 37 -14.558 -3.810 2.992 1.00 0.21 H new ATOM 0 HG11 VAL A 37 -13.286 -5.192 1.397 1.00 0.24 H new ATOM 0 HG12 VAL A 37 -14.765 -4.526 0.665 1.00 0.24 H new ATOM 0 HG13 VAL A 37 -13.182 -3.806 0.286 1.00 0.24 H new ATOM 0 HG21 VAL A 37 -12.107 -3.956 3.175 1.00 0.24 H new ATOM 0 HG22 VAL A 37 -11.949 -2.514 2.143 1.00 0.24 H new ATOM 0 HG23 VAL A 37 -12.722 -2.385 3.741 1.00 0.24 H new ATOM 571 N GLU A 38 -16.263 -2.109 0.000 1.00 0.24 N ATOM 572 CA GLU A 38 -17.555 -2.395 -0.614 1.00 0.27 C ATOM 573 C GLU A 38 -17.486 -3.662 -1.459 1.00 0.31 C ATOM 574 O GLU A 38 -16.427 -4.011 -1.983 1.00 0.39 O ATOM 575 CB GLU A 38 -18.006 -1.216 -1.479 1.00 0.29 C ATOM 576 CG GLU A 38 -18.270 0.054 -0.684 1.00 0.33 C ATOM 577 CD GLU A 38 -19.364 -0.122 0.350 1.00 1.05 C ATOM 578 OE1 GLU A 38 -20.551 0.030 -0.010 1.00 0.89 O ATOM 579 OE2 GLU A 38 -19.036 -0.412 1.519 1.00 2.07 O ATOM 0 H GLU A 38 -15.575 -1.703 -0.635 1.00 0.24 H new ATOM 0 HA GLU A 38 -18.281 -2.550 0.184 1.00 0.27 H new ATOM 0 HB2 GLU A 38 -17.242 -1.013 -2.230 1.00 0.29 H new ATOM 0 HB3 GLU A 38 -18.913 -1.495 -2.015 1.00 0.29 H new ATOM 0 HG2 GLU A 38 -17.351 0.364 -0.186 1.00 0.33 H new ATOM 0 HG3 GLU A 38 -18.548 0.856 -1.369 1.00 0.33 H new ATOM 586 N ASP A 39 -18.618 -4.349 -1.587 1.00 0.35 N ATOM 587 CA ASP A 39 -18.679 -5.581 -2.367 1.00 0.43 C ATOM 588 C ASP A 39 -19.349 -5.341 -3.716 1.00 0.47 C ATOM 589 O ASP A 39 -20.380 -4.672 -3.799 1.00 0.61 O ATOM 590 CB ASP A 39 -19.437 -6.660 -1.590 1.00 0.52 C ATOM 591 CG ASP A 39 -19.468 -7.987 -2.324 1.00 1.42 C ATOM 592 OD1 ASP A 39 -18.518 -8.781 -2.154 1.00 1.91 O ATOM 593 OD2 ASP A 39 -20.440 -8.231 -3.067 1.00 2.20 O ATOM 0 H ASP A 39 -19.503 -4.074 -1.162 1.00 0.35 H new ATOM 0 HA ASP A 39 -17.659 -5.920 -2.547 1.00 0.43 H new ATOM 0 HB2 ASP A 39 -18.969 -6.798 -0.615 1.00 0.52 H new ATOM 0 HB3 ASP A 39 -20.458 -6.324 -1.409 1.00 0.52 H new ATOM 598 N LEU A 40 -18.753 -5.890 -4.771 1.00 0.46 N ATOM 599 CA LEU A 40 -19.289 -5.740 -6.121 1.00 0.53 C ATOM 600 C LEU A 40 -20.392 -6.761 -6.383 1.00 0.57 C ATOM 601 O LEU A 40 -20.163 -7.968 -6.304 1.00 0.62 O ATOM 602 CB LEU A 40 -18.172 -5.900 -7.155 1.00 0.62 C ATOM 603 CG LEU A 40 -17.055 -4.857 -7.078 1.00 0.86 C ATOM 604 CD1 LEU A 40 -15.915 -5.228 -8.014 1.00 1.05 C ATOM 605 CD2 LEU A 40 -17.593 -3.475 -7.417 1.00 1.02 C ATOM 0 H LEU A 40 -17.898 -6.443 -4.717 1.00 0.46 H new ATOM 0 HA LEU A 40 -19.715 -4.741 -6.209 1.00 0.53 H new ATOM 0 HB2 LEU A 40 -17.731 -6.890 -7.039 1.00 0.62 H new ATOM 0 HB3 LEU A 40 -18.613 -5.863 -8.151 1.00 0.62 H new ATOM 0 HG LEU A 40 -16.671 -4.837 -6.058 1.00 0.86 H new ATOM 0 HD11 LEU A 40 -15.129 -4.476 -7.947 1.00 1.05 H new ATOM 0 HD12 LEU A 40 -15.512 -6.200 -7.729 1.00 1.05 H new ATOM 0 HD13 LEU A 40 -16.286 -5.275 -9.038 1.00 1.05 H new ATOM 0 HD21 LEU A 40 -16.785 -2.745 -7.357 1.00 1.02 H new ATOM 0 HD22 LEU A 40 -18.002 -3.482 -8.427 1.00 1.02 H new ATOM 0 HD23 LEU A 40 -18.378 -3.206 -6.710 1.00 1.02 H new ATOM 617 N LYS A 41 -21.586 -6.269 -6.697 1.00 0.84 N ATOM 618 CA LYS A 41 -22.725 -7.137 -6.972 1.00 1.06 C ATOM 619 C LYS A 41 -22.945 -7.294 -8.473 1.00 1.17 C ATOM 620 O LYS A 41 -22.600 -8.322 -9.058 1.00 1.58 O ATOM 621 CB LYS A 41 -23.991 -6.582 -6.313 1.00 1.22 C ATOM 622 CG LYS A 41 -23.862 -6.387 -4.810 1.00 1.38 C ATOM 623 CD LYS A 41 -23.681 -7.711 -4.085 1.00 1.63 C ATOM 624 CE LYS A 41 -23.541 -7.512 -2.585 1.00 1.68 C ATOM 625 NZ LYS A 41 -23.332 -8.803 -1.871 1.00 2.27 N ATOM 0 H LYS A 41 -21.790 -5.272 -6.767 1.00 0.84 H new ATOM 0 HA LYS A 41 -22.507 -8.119 -6.552 1.00 1.06 H new ATOM 0 HB2 LYS A 41 -24.241 -5.627 -6.774 1.00 1.22 H new ATOM 0 HB3 LYS A 41 -24.821 -7.260 -6.513 1.00 1.22 H new ATOM 0 HG2 LYS A 41 -23.013 -5.737 -4.599 1.00 1.38 H new ATOM 0 HG3 LYS A 41 -24.751 -5.883 -4.431 1.00 1.38 H new ATOM 0 HD2 LYS A 41 -24.534 -8.358 -4.289 1.00 1.63 H new ATOM 0 HD3 LYS A 41 -22.797 -8.219 -4.469 1.00 1.63 H new ATOM 0 HE2 LYS A 41 -22.702 -6.846 -2.384 1.00 1.68 H new ATOM 0 HE3 LYS A 41 -24.436 -7.024 -2.198 1.00 1.68 H new ATOM 0 HZ1 LYS A 41 -23.559 -8.683 -0.863 1.00 2.27 H new ATOM 0 HZ2 LYS A 41 -23.951 -9.531 -2.281 1.00 2.27 H new ATOM 0 HZ3 LYS A 41 -22.339 -9.097 -1.969 1.00 2.27 H new ATOM 639 N LYS A 42 -23.518 -6.268 -9.094 1.00 1.21 N ATOM 640 CA LYS A 42 -23.786 -6.290 -10.529 1.00 1.37 C ATOM 641 C LYS A 42 -22.848 -5.344 -11.273 1.00 1.45 C ATOM 642 O LYS A 42 -21.878 -5.778 -11.895 1.00 1.51 O ATOM 643 CB LYS A 42 -25.241 -5.906 -10.808 1.00 1.51 C ATOM 644 CG LYS A 42 -26.225 -7.057 -10.653 1.00 1.51 C ATOM 645 CD LYS A 42 -26.302 -7.545 -9.215 1.00 1.81 C ATOM 646 CE LYS A 42 -27.308 -8.676 -9.063 1.00 1.87 C ATOM 647 NZ LYS A 42 -27.368 -9.181 -7.663 1.00 2.49 N ATOM 0 H LYS A 42 -23.806 -5.409 -8.626 1.00 1.21 H new ATOM 0 HA LYS A 42 -23.611 -7.304 -10.887 1.00 1.37 H new ATOM 0 HB2 LYS A 42 -25.530 -5.101 -10.132 1.00 1.51 H new ATOM 0 HB3 LYS A 42 -25.314 -5.513 -11.822 1.00 1.51 H new ATOM 0 HG2 LYS A 42 -27.214 -6.737 -10.981 1.00 1.51 H new ATOM 0 HG3 LYS A 42 -25.925 -7.881 -11.301 1.00 1.51 H new ATOM 0 HD2 LYS A 42 -25.318 -7.886 -8.892 1.00 1.81 H new ATOM 0 HD3 LYS A 42 -26.582 -6.717 -8.563 1.00 1.81 H new ATOM 0 HE2 LYS A 42 -28.295 -8.327 -9.366 1.00 1.87 H new ATOM 0 HE3 LYS A 42 -27.040 -9.493 -9.733 1.00 1.87 H new ATOM 0 HZ1 LYS A 42 -28.065 -9.951 -7.601 1.00 2.49 H new ATOM 0 HZ2 LYS A 42 -26.432 -9.538 -7.382 1.00 2.49 H new ATOM 0 HZ3 LYS A 42 -27.649 -8.408 -7.027 1.00 2.49 H new ATOM 661 N ASP A 43 -23.146 -4.051 -11.206 1.00 1.86 N ATOM 662 CA ASP A 43 -22.333 -3.041 -11.874 1.00 2.00 C ATOM 663 C ASP A 43 -22.158 -1.813 -10.987 1.00 1.95 C ATOM 664 O ASP A 43 -23.034 -0.950 -10.919 1.00 2.34 O ATOM 665 CB ASP A 43 -22.970 -2.647 -13.209 1.00 2.46 C ATOM 666 CG ASP A 43 -24.426 -2.248 -13.061 1.00 2.78 C ATOM 667 OD1 ASP A 43 -25.282 -3.152 -12.960 1.00 3.40 O ATOM 668 OD2 ASP A 43 -24.709 -1.032 -13.047 1.00 2.94 O ATOM 0 H ASP A 43 -23.946 -3.677 -10.695 1.00 1.86 H new ATOM 0 HA ASP A 43 -21.348 -3.466 -12.066 1.00 2.00 H new ATOM 0 HB2 ASP A 43 -22.412 -1.818 -13.644 1.00 2.46 H new ATOM 0 HB3 ASP A 43 -22.894 -3.482 -13.905 1.00 2.46 H new ATOM 673 N GLU A 44 -21.015 -1.739 -10.311 1.00 1.52 N ATOM 674 CA GLU A 44 -20.720 -0.622 -9.422 1.00 1.51 C ATOM 675 C GLU A 44 -19.281 -0.153 -9.598 1.00 1.33 C ATOM 676 O GLU A 44 -18.346 -0.950 -9.530 1.00 1.10 O ATOM 677 CB GLU A 44 -20.959 -1.026 -7.967 1.00 1.42 C ATOM 678 CG GLU A 44 -22.421 -1.281 -7.638 1.00 1.69 C ATOM 679 CD GLU A 44 -23.251 -0.011 -7.647 1.00 2.24 C ATOM 680 OE1 GLU A 44 -23.706 0.391 -8.739 1.00 2.84 O ATOM 681 OE2 GLU A 44 -23.443 0.581 -6.566 1.00 2.42 O ATOM 0 H GLU A 44 -20.277 -2.441 -10.363 1.00 1.52 H new ATOM 0 HA GLU A 44 -21.387 0.201 -9.680 1.00 1.51 H new ATOM 0 HB2 GLU A 44 -20.384 -1.926 -7.750 1.00 1.42 H new ATOM 0 HB3 GLU A 44 -20.580 -0.240 -7.314 1.00 1.42 H new ATOM 0 HG2 GLU A 44 -22.834 -1.986 -8.359 1.00 1.69 H new ATOM 0 HG3 GLU A 44 -22.492 -1.750 -6.657 1.00 1.69 H new ATOM 688 N LYS A 45 -19.111 1.147 -9.826 1.00 1.57 N ATOM 689 CA LYS A 45 -17.786 1.722 -10.009 1.00 1.48 C ATOM 690 C LYS A 45 -17.112 1.951 -8.661 1.00 1.22 C ATOM 691 O LYS A 45 -17.773 2.270 -7.672 1.00 1.49 O ATOM 692 CB LYS A 45 -17.881 3.046 -10.774 1.00 1.83 C ATOM 693 CG LYS A 45 -18.670 2.949 -12.074 1.00 2.22 C ATOM 694 CD LYS A 45 -18.051 1.955 -13.047 1.00 1.95 C ATOM 695 CE LYS A 45 -16.651 2.375 -13.468 1.00 2.20 C ATOM 696 NZ LYS A 45 -16.633 3.746 -14.050 1.00 3.04 N ATOM 0 H LYS A 45 -19.875 1.820 -9.888 1.00 1.57 H new ATOM 0 HA LYS A 45 -17.186 1.020 -10.588 1.00 1.48 H new ATOM 0 HB2 LYS A 45 -18.347 3.793 -10.132 1.00 1.83 H new ATOM 0 HB3 LYS A 45 -16.874 3.400 -10.996 1.00 1.83 H new ATOM 0 HG2 LYS A 45 -19.695 2.650 -11.854 1.00 2.22 H new ATOM 0 HG3 LYS A 45 -18.718 3.932 -12.542 1.00 2.22 H new ATOM 0 HD2 LYS A 45 -18.011 0.969 -12.583 1.00 1.95 H new ATOM 0 HD3 LYS A 45 -18.685 1.867 -13.929 1.00 1.95 H new ATOM 0 HE2 LYS A 45 -15.986 2.338 -12.605 1.00 2.20 H new ATOM 0 HE3 LYS A 45 -16.264 1.665 -14.199 1.00 2.20 H new ATOM 0 HZ1 LYS A 45 -15.721 3.911 -14.521 1.00 3.04 H new ATOM 0 HZ2 LYS A 45 -17.403 3.839 -14.743 1.00 3.04 H new ATOM 0 HZ3 LYS A 45 -16.763 4.446 -13.292 1.00 3.04 H new ATOM 710 N LYS A 46 -15.793 1.786 -8.626 1.00 0.85 N ATOM 711 CA LYS A 46 -15.035 1.971 -7.394 1.00 0.63 C ATOM 712 C LYS A 46 -13.934 3.012 -7.572 1.00 0.59 C ATOM 713 O LYS A 46 -13.672 3.473 -8.682 1.00 0.73 O ATOM 714 CB LYS A 46 -14.432 0.640 -6.939 1.00 0.43 C ATOM 715 CG LYS A 46 -15.475 -0.396 -6.545 1.00 0.49 C ATOM 716 CD LYS A 46 -16.284 0.054 -5.338 1.00 0.75 C ATOM 717 CE LYS A 46 -17.372 -0.947 -4.992 1.00 0.88 C ATOM 718 NZ LYS A 46 -16.806 -2.251 -4.546 1.00 1.71 N ATOM 0 H LYS A 46 -15.229 1.525 -9.435 1.00 0.85 H new ATOM 0 HA LYS A 46 -15.722 2.333 -6.629 1.00 0.63 H new ATOM 0 HB2 LYS A 46 -13.816 0.236 -7.742 1.00 0.43 H new ATOM 0 HB3 LYS A 46 -13.772 0.820 -6.090 1.00 0.43 H new ATOM 0 HG2 LYS A 46 -16.145 -0.577 -7.386 1.00 0.49 H new ATOM 0 HG3 LYS A 46 -14.982 -1.342 -6.321 1.00 0.49 H new ATOM 0 HD2 LYS A 46 -15.621 0.183 -4.482 1.00 0.75 H new ATOM 0 HD3 LYS A 46 -16.734 1.026 -5.542 1.00 0.75 H new ATOM 0 HE2 LYS A 46 -18.005 -0.538 -4.205 1.00 0.88 H new ATOM 0 HE3 LYS A 46 -18.009 -1.106 -5.862 1.00 0.88 H new ATOM 0 HZ1 LYS A 46 -17.581 -2.901 -4.303 1.00 1.71 H new ATOM 0 HZ2 LYS A 46 -16.236 -2.663 -5.313 1.00 1.71 H new ATOM 0 HZ3 LYS A 46 -16.205 -2.101 -3.710 1.00 1.71 H new ATOM 732 N ASP A 47 -13.297 3.373 -6.463 1.00 0.48 N ATOM 733 CA ASP A 47 -12.227 4.365 -6.475 1.00 0.44 C ATOM 734 C ASP A 47 -10.899 3.743 -6.896 1.00 0.39 C ATOM 735 O ASP A 47 -10.515 2.681 -6.404 1.00 0.42 O ATOM 736 CB ASP A 47 -12.085 4.995 -5.090 1.00 0.45 C ATOM 737 CG ASP A 47 -10.987 6.039 -5.037 1.00 1.22 C ATOM 738 OD1 ASP A 47 -9.831 5.670 -4.746 1.00 2.20 O ATOM 739 OD2 ASP A 47 -11.284 7.226 -5.289 1.00 1.14 O ATOM 0 H ASP A 47 -13.504 2.991 -5.540 1.00 0.48 H new ATOM 0 HA ASP A 47 -12.489 5.134 -7.202 1.00 0.44 H new ATOM 0 HB2 ASP A 47 -13.032 5.453 -4.804 1.00 0.45 H new ATOM 0 HB3 ASP A 47 -11.875 4.214 -4.359 1.00 0.45 H new ATOM 744 N LYS A 48 -10.201 4.413 -7.809 1.00 0.37 N ATOM 745 CA LYS A 48 -8.908 3.938 -8.287 1.00 0.34 C ATOM 746 C LYS A 48 -7.782 4.556 -7.467 1.00 0.30 C ATOM 747 O LYS A 48 -7.928 5.652 -6.927 1.00 0.39 O ATOM 748 CB LYS A 48 -8.724 4.274 -9.771 1.00 0.41 C ATOM 749 CG LYS A 48 -9.371 3.269 -10.715 1.00 0.46 C ATOM 750 CD LYS A 48 -10.882 3.217 -10.538 1.00 0.64 C ATOM 751 CE LYS A 48 -11.512 2.169 -11.441 1.00 0.82 C ATOM 752 NZ LYS A 48 -12.987 2.092 -11.260 1.00 1.35 N ATOM 0 H LYS A 48 -10.511 5.288 -8.233 1.00 0.37 H new ATOM 0 HA LYS A 48 -8.876 2.855 -8.170 1.00 0.34 H new ATOM 0 HB2 LYS A 48 -9.143 5.262 -9.965 1.00 0.41 H new ATOM 0 HB3 LYS A 48 -7.658 4.331 -9.991 1.00 0.41 H new ATOM 0 HG2 LYS A 48 -9.135 3.534 -11.745 1.00 0.46 H new ATOM 0 HG3 LYS A 48 -8.950 2.280 -10.536 1.00 0.46 H new ATOM 0 HD2 LYS A 48 -11.120 2.994 -9.498 1.00 0.64 H new ATOM 0 HD3 LYS A 48 -11.309 4.195 -10.760 1.00 0.64 H new ATOM 0 HE2 LYS A 48 -11.286 2.403 -12.481 1.00 0.82 H new ATOM 0 HE3 LYS A 48 -11.069 1.195 -11.230 1.00 0.82 H new ATOM 0 HZ1 LYS A 48 -13.280 1.095 -11.218 1.00 1.35 H new ATOM 0 HZ2 LYS A 48 -13.254 2.569 -10.375 1.00 1.35 H new ATOM 0 HZ3 LYS A 48 -13.460 2.558 -12.060 1.00 1.35 H new ATOM 766 N VAL A 49 -6.659 3.852 -7.378 1.00 0.29 N ATOM 767 CA VAL A 49 -5.518 4.339 -6.612 1.00 0.27 C ATOM 768 C VAL A 49 -4.256 4.410 -7.466 1.00 0.23 C ATOM 769 O VAL A 49 -3.907 3.455 -8.159 1.00 0.28 O ATOM 770 CB VAL A 49 -5.250 3.441 -5.387 1.00 0.31 C ATOM 771 CG1 VAL A 49 -4.120 4.007 -4.541 1.00 0.61 C ATOM 772 CG2 VAL A 49 -6.517 3.277 -4.560 1.00 0.87 C ATOM 0 H VAL A 49 -6.515 2.946 -7.825 1.00 0.29 H new ATOM 0 HA VAL A 49 -5.771 5.345 -6.276 1.00 0.27 H new ATOM 0 HB VAL A 49 -4.944 2.457 -5.742 1.00 0.31 H new ATOM 0 HG11 VAL A 49 -3.948 3.358 -3.682 1.00 0.61 H new ATOM 0 HG12 VAL A 49 -3.211 4.065 -5.140 1.00 0.61 H new ATOM 0 HG13 VAL A 49 -4.390 5.004 -4.194 1.00 0.61 H new ATOM 0 HG21 VAL A 49 -6.310 2.641 -3.700 1.00 0.87 H new ATOM 0 HG22 VAL A 49 -6.856 4.254 -4.215 1.00 0.87 H new ATOM 0 HG23 VAL A 49 -7.294 2.819 -5.172 1.00 0.87 H new ATOM 782 N LEU A 50 -3.578 5.551 -7.408 1.00 0.21 N ATOM 783 CA LEU A 50 -2.350 5.755 -8.168 1.00 0.21 C ATOM 784 C LEU A 50 -1.201 4.970 -7.543 1.00 0.20 C ATOM 785 O LEU A 50 -0.791 5.245 -6.413 1.00 0.26 O ATOM 786 CB LEU A 50 -2.000 7.243 -8.224 1.00 0.24 C ATOM 787 CG LEU A 50 -0.740 7.588 -9.022 1.00 0.29 C ATOM 788 CD1 LEU A 50 -0.928 7.251 -10.493 1.00 0.31 C ATOM 789 CD2 LEU A 50 -0.389 9.057 -8.852 1.00 0.35 C ATOM 0 H LEU A 50 -3.859 6.351 -6.841 1.00 0.21 H new ATOM 0 HA LEU A 50 -2.509 5.393 -9.184 1.00 0.21 H new ATOM 0 HB2 LEU A 50 -2.843 7.782 -8.656 1.00 0.24 H new ATOM 0 HB3 LEU A 50 -1.877 7.609 -7.205 1.00 0.24 H new ATOM 0 HG LEU A 50 0.085 6.989 -8.637 1.00 0.29 H new ATOM 0 HD11 LEU A 50 -0.021 7.504 -11.043 1.00 0.31 H new ATOM 0 HD12 LEU A 50 -1.132 6.185 -10.599 1.00 0.31 H new ATOM 0 HD13 LEU A 50 -1.766 7.822 -10.893 1.00 0.31 H new ATOM 0 HD21 LEU A 50 0.509 9.285 -9.426 1.00 0.35 H new ATOM 0 HD22 LEU A 50 -1.215 9.672 -9.210 1.00 0.35 H new ATOM 0 HD23 LEU A 50 -0.210 9.269 -7.798 1.00 0.35 H new ATOM 801 N LEU A 51 -0.682 3.996 -8.283 1.00 0.20 N ATOM 802 CA LEU A 51 0.414 3.168 -7.795 1.00 0.22 C ATOM 803 C LEU A 51 1.718 3.466 -8.526 1.00 0.23 C ATOM 804 O LEU A 51 1.768 3.483 -9.759 1.00 0.37 O ATOM 805 CB LEU A 51 0.062 1.685 -7.927 1.00 0.24 C ATOM 806 CG LEU A 51 -0.618 1.085 -6.697 1.00 0.58 C ATOM 807 CD1 LEU A 51 -1.987 1.708 -6.478 1.00 0.98 C ATOM 808 CD2 LEU A 51 -0.732 -0.426 -6.813 1.00 1.50 C ATOM 0 H LEU A 51 -1.003 3.761 -9.222 1.00 0.20 H new ATOM 0 HA LEU A 51 0.562 3.409 -6.742 1.00 0.22 H new ATOM 0 HB2 LEU A 51 -0.593 1.555 -8.789 1.00 0.24 H new ATOM 0 HB3 LEU A 51 0.974 1.125 -8.132 1.00 0.24 H new ATOM 0 HG LEU A 51 0.005 1.310 -5.831 1.00 0.58 H new ATOM 0 HD11 LEU A 51 -2.452 1.265 -5.597 1.00 0.98 H new ATOM 0 HD12 LEU A 51 -1.878 2.782 -6.330 1.00 0.98 H new ATOM 0 HD13 LEU A 51 -2.614 1.524 -7.350 1.00 0.98 H new ATOM 0 HD21 LEU A 51 -1.220 -0.823 -5.923 1.00 1.50 H new ATOM 0 HD22 LEU A 51 -1.322 -0.680 -7.694 1.00 1.50 H new ATOM 0 HD23 LEU A 51 0.264 -0.860 -6.905 1.00 1.50 H new ATOM 820 N SER A 52 2.772 3.705 -7.747 1.00 0.17 N ATOM 821 CA SER A 52 4.092 3.998 -8.298 1.00 0.18 C ATOM 822 C SER A 52 5.148 3.088 -7.672 1.00 0.20 C ATOM 823 O SER A 52 5.135 2.852 -6.466 1.00 0.28 O ATOM 824 CB SER A 52 4.458 5.463 -8.053 1.00 0.18 C ATOM 825 OG SER A 52 3.454 6.331 -8.552 1.00 1.18 O ATOM 0 H SER A 52 2.736 3.701 -6.728 1.00 0.17 H new ATOM 0 HA SER A 52 4.062 3.815 -9.372 1.00 0.18 H new ATOM 0 HB2 SER A 52 4.592 5.634 -6.985 1.00 0.18 H new ATOM 0 HB3 SER A 52 5.410 5.688 -8.534 1.00 0.18 H new ATOM 0 HG SER A 52 3.857 6.976 -9.170 1.00 1.18 H new ATOM 831 N TYR A 53 6.060 2.583 -8.498 1.00 0.19 N ATOM 832 CA TYR A 53 7.117 1.695 -8.017 1.00 0.21 C ATOM 833 C TYR A 53 8.407 2.461 -7.734 1.00 0.20 C ATOM 834 O TYR A 53 8.658 3.515 -8.318 1.00 0.21 O ATOM 835 CB TYR A 53 7.383 0.583 -9.034 1.00 0.25 C ATOM 836 CG TYR A 53 6.366 -0.534 -8.989 1.00 0.36 C ATOM 837 CD1 TYR A 53 5.044 -0.315 -9.355 1.00 0.52 C ATOM 838 CD2 TYR A 53 6.729 -1.811 -8.575 1.00 0.52 C ATOM 839 CE1 TYR A 53 4.114 -1.335 -9.312 1.00 0.65 C ATOM 840 CE2 TYR A 53 5.805 -2.835 -8.530 1.00 0.64 C ATOM 841 CZ TYR A 53 4.498 -2.592 -8.898 1.00 0.66 C ATOM 842 OH TYR A 53 3.574 -3.611 -8.853 1.00 0.82 O ATOM 0 H TYR A 53 6.090 2.772 -9.500 1.00 0.19 H new ATOM 0 HA TYR A 53 6.775 1.252 -7.082 1.00 0.21 H new ATOM 0 HB2 TYR A 53 7.394 1.013 -10.036 1.00 0.25 H new ATOM 0 HB3 TYR A 53 8.375 0.168 -8.855 1.00 0.25 H new ATOM 0 HD1 TYR A 53 4.738 0.669 -9.678 1.00 0.52 H new ATOM 0 HD2 TYR A 53 7.751 -2.005 -8.284 1.00 0.52 H new ATOM 0 HE1 TYR A 53 3.090 -1.148 -9.602 1.00 0.65 H new ATOM 0 HE2 TYR A 53 6.104 -3.822 -8.208 1.00 0.64 H new ATOM 0 HH TYR A 53 2.733 -3.308 -9.253 1.00 0.82 H new ATOM 852 N TYR A 54 9.220 1.918 -6.831 1.00 0.21 N ATOM 853 CA TYR A 54 10.488 2.538 -6.461 1.00 0.22 C ATOM 854 C TYR A 54 11.552 1.479 -6.181 1.00 0.25 C ATOM 855 O TYR A 54 11.240 0.387 -5.705 1.00 0.31 O ATOM 856 CB TYR A 54 10.307 3.428 -5.229 1.00 0.22 C ATOM 857 CG TYR A 54 9.548 4.705 -5.507 1.00 0.23 C ATOM 858 CD1 TYR A 54 10.193 5.826 -6.016 1.00 0.31 C ATOM 859 CD2 TYR A 54 8.184 4.791 -5.255 1.00 0.22 C ATOM 860 CE1 TYR A 54 9.500 6.994 -6.269 1.00 0.35 C ATOM 861 CE2 TYR A 54 7.485 5.956 -5.506 1.00 0.25 C ATOM 862 CZ TYR A 54 8.159 7.059 -6.022 1.00 0.30 C ATOM 863 OH TYR A 54 7.452 8.215 -6.260 1.00 0.35 O ATOM 0 H TYR A 54 9.021 1.046 -6.341 1.00 0.21 H new ATOM 0 HA TYR A 54 10.819 3.151 -7.299 1.00 0.22 H new ATOM 0 HB2 TYR A 54 9.781 2.864 -4.459 1.00 0.22 H new ATOM 0 HB3 TYR A 54 11.288 3.679 -4.826 1.00 0.22 H new ATOM 0 HD1 TYR A 54 11.253 5.783 -6.217 1.00 0.31 H new ATOM 0 HD2 TYR A 54 7.662 3.933 -4.857 1.00 0.22 H new ATOM 0 HE1 TYR A 54 10.019 7.856 -6.662 1.00 0.35 H new ATOM 0 HE2 TYR A 54 6.426 6.010 -5.304 1.00 0.25 H new ATOM 0 HH TYR A 54 6.510 8.076 -6.027 1.00 0.35 H new ATOM 873 N GLU A 55 12.805 1.809 -6.479 1.00 0.26 N ATOM 874 CA GLU A 55 13.914 0.885 -6.257 1.00 0.30 C ATOM 875 C GLU A 55 14.941 1.481 -5.298 1.00 0.33 C ATOM 876 O GLU A 55 15.394 2.611 -5.480 1.00 0.53 O ATOM 877 CB GLU A 55 14.587 0.528 -7.585 1.00 0.44 C ATOM 878 CG GLU A 55 15.025 1.740 -8.394 1.00 1.14 C ATOM 879 CD GLU A 55 15.755 1.359 -9.665 1.00 1.52 C ATOM 880 OE1 GLU A 55 16.951 1.004 -9.582 1.00 2.05 O ATOM 881 OE2 GLU A 55 15.132 1.413 -10.747 1.00 1.73 O ATOM 0 H GLU A 55 13.078 2.709 -6.875 1.00 0.26 H new ATOM 0 HA GLU A 55 13.509 -0.022 -5.808 1.00 0.30 H new ATOM 0 HB2 GLU A 55 15.457 -0.098 -7.385 1.00 0.44 H new ATOM 0 HB3 GLU A 55 13.897 -0.067 -8.183 1.00 0.44 H new ATOM 0 HG2 GLU A 55 14.150 2.339 -8.647 1.00 1.14 H new ATOM 0 HG3 GLU A 55 15.673 2.366 -7.781 1.00 1.14 H new ATOM 888 N SER A 56 15.300 0.712 -4.274 1.00 0.45 N ATOM 889 CA SER A 56 16.271 1.157 -3.285 1.00 0.57 C ATOM 890 C SER A 56 17.693 0.822 -3.725 1.00 0.83 C ATOM 891 O SER A 56 18.014 -0.336 -3.987 1.00 1.21 O ATOM 892 CB SER A 56 15.975 0.506 -1.934 1.00 0.71 C ATOM 893 OG SER A 56 15.936 -0.907 -2.043 1.00 1.19 O ATOM 0 H SER A 56 14.931 -0.224 -4.109 1.00 0.45 H new ATOM 0 HA SER A 56 16.190 2.240 -3.189 1.00 0.57 H new ATOM 0 HB2 SER A 56 16.738 0.797 -1.212 1.00 0.71 H new ATOM 0 HB3 SER A 56 15.021 0.870 -1.553 1.00 0.71 H new ATOM 0 HG SER A 56 15.044 -1.188 -2.337 1.00 1.19 H new ATOM 899 N GLN A 57 18.539 1.845 -3.806 1.00 0.92 N ATOM 900 CA GLN A 57 19.927 1.659 -4.216 1.00 1.22 C ATOM 901 C GLN A 57 20.886 2.104 -3.114 1.00 1.17 C ATOM 902 O GLN A 57 21.040 3.298 -2.859 1.00 1.33 O ATOM 903 CB GLN A 57 20.207 2.444 -5.499 1.00 1.70 C ATOM 904 CG GLN A 57 19.276 2.085 -6.647 1.00 1.81 C ATOM 905 CD GLN A 57 19.547 2.901 -7.896 1.00 2.29 C ATOM 906 OE1 GLN A 57 18.972 3.973 -8.089 1.00 2.89 O ATOM 907 NE2 GLN A 57 20.425 2.395 -8.753 1.00 2.56 N ATOM 0 H GLN A 57 18.288 2.810 -3.593 1.00 0.92 H new ATOM 0 HA GLN A 57 20.087 0.597 -4.403 1.00 1.22 H new ATOM 0 HB2 GLN A 57 20.118 3.510 -5.290 1.00 1.70 H new ATOM 0 HB3 GLN A 57 21.237 2.265 -5.808 1.00 1.70 H new ATOM 0 HG2 GLN A 57 19.384 1.026 -6.879 1.00 1.81 H new ATOM 0 HG3 GLN A 57 18.243 2.239 -6.334 1.00 1.81 H new ATOM 0 HE21 GLN A 57 20.878 1.503 -8.552 1.00 2.56 H new ATOM 0 HE22 GLN A 57 20.647 2.898 -9.612 1.00 2.56 H new ATOM 916 N HIS A 58 21.525 1.135 -2.464 1.00 1.16 N ATOM 917 CA HIS A 58 22.469 1.427 -1.391 1.00 1.25 C ATOM 918 C HIS A 58 23.894 1.532 -1.935 1.00 1.32 C ATOM 919 O HIS A 58 24.257 0.824 -2.875 1.00 1.40 O ATOM 920 CB HIS A 58 22.402 0.342 -0.316 1.00 1.42 C ATOM 921 CG HIS A 58 21.026 0.117 0.228 1.00 1.68 C ATOM 922 ND1 HIS A 58 20.563 0.722 1.377 1.00 2.18 N ATOM 923 CD2 HIS A 58 20.011 -0.653 -0.225 1.00 2.23 C ATOM 924 CE1 HIS A 58 19.321 0.332 1.607 1.00 2.52 C ATOM 925 NE2 HIS A 58 18.963 -0.502 0.649 1.00 2.46 N ATOM 0 H HIS A 58 21.406 0.142 -2.662 1.00 1.16 H new ATOM 0 HA HIS A 58 22.195 2.385 -0.949 1.00 1.25 H new ATOM 0 HB2 HIS A 58 22.776 -0.593 -0.733 1.00 1.42 H new ATOM 0 HB3 HIS A 58 23.067 0.614 0.504 1.00 1.42 H new ATOM 0 HD2 HIS A 58 20.023 -1.272 -1.110 1.00 2.23 H new ATOM 0 HE1 HIS A 58 18.704 0.643 2.437 1.00 2.52 H new ATOM 0 HE2 HIS A 58 18.055 -0.960 0.571 1.00 2.46 H new ATOM 934 N PRO A 59 24.723 2.416 -1.350 1.00 1.53 N ATOM 935 CA PRO A 59 26.107 2.605 -1.785 1.00 1.67 C ATOM 936 C PRO A 59 27.053 1.560 -1.200 1.00 1.84 C ATOM 937 O PRO A 59 28.268 1.645 -1.375 1.00 2.52 O ATOM 938 CB PRO A 59 26.443 3.991 -1.244 1.00 2.10 C ATOM 939 CG PRO A 59 25.638 4.108 0.005 1.00 2.33 C ATOM 940 CD PRO A 59 24.379 3.309 -0.224 1.00 1.88 C ATOM 0 HA PRO A 59 26.217 2.506 -2.865 1.00 1.67 H new ATOM 0 HB2 PRO A 59 27.509 4.090 -1.040 1.00 2.10 H new ATOM 0 HB3 PRO A 59 26.182 4.771 -1.959 1.00 2.10 H new ATOM 0 HG2 PRO A 59 26.192 3.723 0.861 1.00 2.33 H new ATOM 0 HG3 PRO A 59 25.403 5.151 0.219 1.00 2.33 H new ATOM 0 HD2 PRO A 59 24.099 2.742 0.664 1.00 1.88 H new ATOM 0 HD3 PRO A 59 23.536 3.954 -0.469 1.00 1.88 H new ATOM 948 N SER A 60 26.489 0.574 -0.506 1.00 1.87 N ATOM 949 CA SER A 60 27.290 -0.482 0.104 1.00 2.25 C ATOM 950 C SER A 60 26.577 -1.831 0.035 1.00 2.28 C ATOM 951 O SER A 60 26.850 -2.727 0.836 1.00 2.89 O ATOM 952 CB SER A 60 27.602 -0.134 1.561 1.00 2.98 C ATOM 953 OG SER A 60 26.412 0.006 2.316 1.00 3.59 O ATOM 0 H SER A 60 25.484 0.485 -0.353 1.00 1.87 H new ATOM 0 HA SER A 60 28.221 -0.560 -0.457 1.00 2.25 H new ATOM 0 HB2 SER A 60 28.225 -0.914 1.999 1.00 2.98 H new ATOM 0 HB3 SER A 60 28.174 0.793 1.603 1.00 2.98 H new ATOM 0 HG SER A 60 26.637 0.227 3.244 1.00 3.59 H new ATOM 959 N ASN A 61 25.669 -1.971 -0.922 1.00 2.36 N ATOM 960 CA ASN A 61 24.923 -3.213 -1.088 1.00 2.83 C ATOM 961 C ASN A 61 24.612 -3.469 -2.558 1.00 3.18 C ATOM 962 O ASN A 61 23.616 -2.972 -3.087 1.00 3.77 O ATOM 963 CB ASN A 61 23.627 -3.171 -0.278 1.00 3.70 C ATOM 964 CG ASN A 61 22.806 -4.438 -0.433 1.00 4.39 C ATOM 965 OD1 ASN A 61 22.969 -5.392 0.329 1.00 4.96 O ATOM 966 ND2 ASN A 61 21.920 -4.454 -1.421 1.00 4.80 N ATOM 0 H ASN A 61 25.431 -1.242 -1.594 1.00 2.36 H new ATOM 0 HA ASN A 61 25.543 -4.030 -0.719 1.00 2.83 H new ATOM 0 HB2 ASN A 61 23.865 -3.022 0.775 1.00 3.70 H new ATOM 0 HB3 ASN A 61 23.032 -2.315 -0.595 1.00 3.70 H new ATOM 0 HD21 ASN A 61 21.340 -5.279 -1.573 1.00 4.80 H new ATOM 0 HD22 ASN A 61 21.819 -3.641 -2.028 1.00 4.80 H new ATOM 973 N GLU A 62 25.471 -4.248 -3.210 1.00 3.41 N ATOM 974 CA GLU A 62 25.298 -4.579 -4.622 1.00 4.31 C ATOM 975 C GLU A 62 25.187 -3.317 -5.471 1.00 4.66 C ATOM 976 O GLU A 62 24.091 -2.797 -5.693 1.00 5.26 O ATOM 977 CB GLU A 62 24.057 -5.454 -4.815 1.00 5.11 C ATOM 978 CG GLU A 62 24.120 -6.771 -4.057 1.00 6.02 C ATOM 979 CD GLU A 62 25.287 -7.637 -4.487 1.00 6.49 C ATOM 980 OE1 GLU A 62 25.124 -8.419 -5.448 1.00 6.92 O ATOM 981 OE2 GLU A 62 26.366 -7.532 -3.866 1.00 6.66 O ATOM 0 H GLU A 62 26.298 -4.664 -2.781 1.00 3.41 H new ATOM 0 HA GLU A 62 26.178 -5.134 -4.948 1.00 4.31 H new ATOM 0 HB2 GLU A 62 23.177 -4.899 -4.491 1.00 5.11 H new ATOM 0 HB3 GLU A 62 23.930 -5.661 -5.878 1.00 5.11 H new ATOM 0 HG2 GLU A 62 24.198 -6.568 -2.989 1.00 6.02 H new ATOM 0 HG3 GLU A 62 23.190 -7.319 -4.210 1.00 6.02 H new ATOM 988 N SER A 63 26.330 -2.827 -5.942 1.00 4.71 N ATOM 989 CA SER A 63 26.365 -1.627 -6.769 1.00 5.40 C ATOM 990 C SER A 63 27.395 -1.767 -7.886 1.00 5.72 C ATOM 991 O SER A 63 28.452 -1.131 -7.857 1.00 6.12 O ATOM 992 CB SER A 63 26.687 -0.400 -5.911 1.00 6.13 C ATOM 993 OG SER A 63 26.709 0.780 -6.695 1.00 6.64 O ATOM 0 H SER A 63 27.244 -3.243 -5.765 1.00 4.71 H new ATOM 0 HA SER A 63 25.381 -1.497 -7.221 1.00 5.40 H new ATOM 0 HB2 SER A 63 25.944 -0.301 -5.120 1.00 6.13 H new ATOM 0 HB3 SER A 63 27.653 -0.536 -5.425 1.00 6.13 H new ATOM 0 HG SER A 63 26.915 1.549 -6.123 1.00 6.64 H new ATOM 999 N GLY A 64 27.081 -2.604 -8.870 1.00 5.83 N ATOM 1000 CA GLY A 64 27.987 -2.816 -9.985 1.00 6.37 C ATOM 1001 C GLY A 64 28.352 -4.278 -10.165 1.00 6.20 C ATOM 1002 O GLY A 64 29.173 -4.813 -9.420 1.00 6.52 O ATOM 0 H GLY A 64 26.214 -3.140 -8.915 1.00 5.83 H new ATOM 0 HA2 GLY A 64 27.526 -2.444 -10.900 1.00 6.37 H new ATOM 0 HA3 GLY A 64 28.895 -2.235 -9.827 1.00 6.37 H new ATOM 1006 N ASP A 65 27.738 -4.917 -11.157 1.00 5.88 N ATOM 1007 CA ASP A 65 27.995 -6.326 -11.444 1.00 5.83 C ATOM 1008 C ASP A 65 27.666 -7.201 -10.239 1.00 5.38 C ATOM 1009 O ASP A 65 28.494 -7.383 -9.345 1.00 5.77 O ATOM 1010 CB ASP A 65 29.454 -6.531 -11.855 1.00 6.69 C ATOM 1011 CG ASP A 65 29.836 -5.700 -13.063 1.00 7.43 C ATOM 1012 OD1 ASP A 65 30.209 -4.522 -12.881 1.00 8.04 O ATOM 1013 OD2 ASP A 65 29.765 -6.228 -14.193 1.00 7.57 O ATOM 0 H ASP A 65 27.057 -4.480 -11.778 1.00 5.88 H new ATOM 0 HA ASP A 65 27.348 -6.622 -12.270 1.00 5.83 H new ATOM 0 HB2 ASP A 65 30.104 -6.272 -11.019 1.00 6.69 H new ATOM 0 HB3 ASP A 65 29.622 -7.585 -12.075 1.00 6.69 H new ATOM 1018 N GLY A 66 26.450 -7.741 -10.221 1.00 4.75 N ATOM 1019 CA GLY A 66 26.031 -8.590 -9.122 1.00 4.50 C ATOM 1020 C GLY A 66 24.709 -9.280 -9.392 1.00 4.15 C ATOM 1021 O GLY A 66 24.286 -9.399 -10.543 1.00 4.62 O ATOM 0 H GLY A 66 25.748 -7.605 -10.949 1.00 4.75 H new ATOM 0 HA2 GLY A 66 26.798 -9.342 -8.935 1.00 4.50 H new ATOM 0 HA3 GLY A 66 25.945 -7.990 -8.216 1.00 4.50 H new ATOM 1025 N VAL A 67 24.055 -9.735 -8.328 1.00 3.74 N ATOM 1026 CA VAL A 67 22.779 -10.415 -8.442 1.00 3.83 C ATOM 1027 C VAL A 67 21.629 -9.420 -8.566 1.00 3.19 C ATOM 1028 O VAL A 67 20.611 -9.709 -9.195 1.00 3.45 O ATOM 1029 CB VAL A 67 22.545 -11.323 -7.222 1.00 4.57 C ATOM 1030 CG1 VAL A 67 22.589 -10.514 -5.935 1.00 5.42 C ATOM 1031 CG2 VAL A 67 21.230 -12.061 -7.354 1.00 4.44 C ATOM 0 H VAL A 67 24.395 -9.642 -7.371 1.00 3.74 H new ATOM 0 HA VAL A 67 22.809 -11.023 -9.346 1.00 3.83 H new ATOM 0 HB VAL A 67 23.346 -12.062 -7.183 1.00 4.57 H new ATOM 0 HG11 VAL A 67 22.421 -11.174 -5.084 1.00 5.42 H new ATOM 0 HG12 VAL A 67 23.565 -10.038 -5.838 1.00 5.42 H new ATOM 0 HG13 VAL A 67 21.813 -9.749 -5.959 1.00 5.42 H new ATOM 0 HG21 VAL A 67 21.081 -12.698 -6.482 1.00 4.44 H new ATOM 0 HG22 VAL A 67 20.414 -11.341 -7.421 1.00 4.44 H new ATOM 0 HG23 VAL A 67 21.246 -12.676 -8.254 1.00 4.44 H new ATOM 1041 N ASP A 68 21.804 -8.247 -7.966 1.00 2.69 N ATOM 1042 CA ASP A 68 20.785 -7.199 -8.006 1.00 2.47 C ATOM 1043 C ASP A 68 19.438 -7.723 -7.512 1.00 1.74 C ATOM 1044 O ASP A 68 18.619 -8.196 -8.300 1.00 2.03 O ATOM 1045 CB ASP A 68 20.639 -6.649 -9.427 1.00 3.50 C ATOM 1046 CG ASP A 68 21.913 -6.004 -9.934 1.00 4.42 C ATOM 1047 OD1 ASP A 68 22.799 -6.738 -10.420 1.00 5.19 O ATOM 1048 OD2 ASP A 68 22.026 -4.764 -9.843 1.00 4.69 O ATOM 0 H ASP A 68 22.644 -7.996 -7.444 1.00 2.69 H new ATOM 0 HA ASP A 68 21.107 -6.395 -7.343 1.00 2.47 H new ATOM 0 HB2 ASP A 68 20.353 -7.458 -10.099 1.00 3.50 H new ATOM 0 HB3 ASP A 68 19.832 -5.917 -9.449 1.00 3.50 H new ATOM 1053 N GLY A 69 19.215 -7.629 -6.204 1.00 1.09 N ATOM 1054 CA GLY A 69 17.966 -8.097 -5.630 1.00 0.76 C ATOM 1055 C GLY A 69 17.408 -7.144 -4.590 1.00 0.68 C ATOM 1056 O GLY A 69 17.003 -7.566 -3.507 1.00 0.66 O ATOM 0 H GLY A 69 19.876 -7.238 -5.533 1.00 1.09 H new ATOM 0 HA2 GLY A 69 17.233 -8.231 -6.425 1.00 0.76 H new ATOM 0 HA3 GLY A 69 18.124 -9.074 -5.174 1.00 0.76 H new ATOM 1060 N LYS A 70 17.385 -5.857 -4.922 1.00 0.67 N ATOM 1061 CA LYS A 70 16.871 -4.841 -4.010 1.00 0.60 C ATOM 1062 C LYS A 70 15.348 -4.876 -3.954 1.00 0.51 C ATOM 1063 O LYS A 70 14.684 -5.121 -4.962 1.00 0.50 O ATOM 1064 CB LYS A 70 17.342 -3.446 -4.431 1.00 0.66 C ATOM 1065 CG LYS A 70 17.366 -3.235 -5.937 1.00 0.76 C ATOM 1066 CD LYS A 70 18.784 -3.037 -6.447 1.00 1.25 C ATOM 1067 CE LYS A 70 19.647 -4.265 -6.199 1.00 1.58 C ATOM 1068 NZ LYS A 70 21.080 -4.013 -6.516 1.00 2.43 N ATOM 0 H LYS A 70 17.716 -5.493 -5.815 1.00 0.67 H new ATOM 0 HA LYS A 70 17.261 -5.061 -3.016 1.00 0.60 H new ATOM 0 HB2 LYS A 70 16.688 -2.700 -3.979 1.00 0.66 H new ATOM 0 HB3 LYS A 70 18.342 -3.275 -4.034 1.00 0.66 H new ATOM 0 HG2 LYS A 70 16.916 -4.095 -6.434 1.00 0.76 H new ATOM 0 HG3 LYS A 70 16.761 -2.366 -6.194 1.00 0.76 H new ATOM 0 HD2 LYS A 70 18.760 -2.819 -7.515 1.00 1.25 H new ATOM 0 HD3 LYS A 70 19.230 -2.173 -5.955 1.00 1.25 H new ATOM 0 HE2 LYS A 70 19.554 -4.569 -5.156 1.00 1.58 H new ATOM 0 HE3 LYS A 70 19.282 -5.093 -6.806 1.00 1.58 H new ATOM 0 HZ1 LYS A 70 21.665 -4.767 -6.103 1.00 2.43 H new ATOM 0 HZ2 LYS A 70 21.210 -3.999 -7.548 1.00 2.43 H new ATOM 0 HZ3 LYS A 70 21.367 -3.096 -6.119 1.00 2.43 H new ATOM 1082 N MET A 71 14.800 -4.630 -2.768 1.00 0.45 N ATOM 1083 CA MET A 71 13.356 -4.632 -2.576 1.00 0.36 C ATOM 1084 C MET A 71 12.714 -3.435 -3.268 1.00 0.33 C ATOM 1085 O MET A 71 13.161 -2.299 -3.105 1.00 0.36 O ATOM 1086 CB MET A 71 13.019 -4.624 -1.082 1.00 0.35 C ATOM 1087 CG MET A 71 13.604 -3.439 -0.329 1.00 0.39 C ATOM 1088 SD MET A 71 13.304 -3.528 1.446 1.00 0.40 S ATOM 1089 CE MET A 71 14.092 -2.018 1.998 1.00 0.47 C ATOM 0 H MET A 71 15.336 -4.426 -1.925 1.00 0.45 H new ATOM 0 HA MET A 71 12.954 -5.541 -3.023 1.00 0.36 H new ATOM 0 HB2 MET A 71 11.936 -4.620 -0.963 1.00 0.35 H new ATOM 0 HB3 MET A 71 13.385 -5.546 -0.631 1.00 0.35 H new ATOM 0 HG2 MET A 71 14.678 -3.393 -0.510 1.00 0.39 H new ATOM 0 HG3 MET A 71 13.175 -2.517 -0.720 1.00 0.39 H new ATOM 0 HE1 MET A 71 13.991 -1.929 3.080 1.00 0.47 H new ATOM 0 HE2 MET A 71 15.149 -2.041 1.733 1.00 0.47 H new ATOM 0 HE3 MET A 71 13.616 -1.163 1.518 1.00 0.47 H new ATOM 1099 N LEU A 72 11.666 -3.697 -4.043 1.00 0.30 N ATOM 1100 CA LEU A 72 10.962 -2.642 -4.764 1.00 0.29 C ATOM 1101 C LEU A 72 9.805 -2.093 -3.936 1.00 0.28 C ATOM 1102 O LEU A 72 8.867 -2.820 -3.607 1.00 0.33 O ATOM 1103 CB LEU A 72 10.438 -3.169 -6.102 1.00 0.29 C ATOM 1104 CG LEU A 72 11.510 -3.677 -7.071 1.00 0.32 C ATOM 1105 CD1 LEU A 72 10.865 -4.302 -8.298 1.00 0.34 C ATOM 1106 CD2 LEU A 72 12.442 -2.545 -7.477 1.00 0.34 C ATOM 0 H LEU A 72 11.285 -4.632 -4.188 1.00 0.30 H new ATOM 0 HA LEU A 72 11.669 -1.833 -4.950 1.00 0.29 H new ATOM 0 HB2 LEU A 72 9.737 -3.980 -5.905 1.00 0.29 H new ATOM 0 HB3 LEU A 72 9.876 -2.374 -6.592 1.00 0.29 H new ATOM 0 HG LEU A 72 12.098 -4.442 -6.564 1.00 0.32 H new ATOM 0 HD11 LEU A 72 11.641 -4.658 -8.976 1.00 0.34 H new ATOM 0 HD12 LEU A 72 10.238 -5.140 -7.993 1.00 0.34 H new ATOM 0 HD13 LEU A 72 10.253 -3.557 -8.806 1.00 0.34 H new ATOM 0 HD21 LEU A 72 13.197 -2.925 -8.165 1.00 0.34 H new ATOM 0 HD22 LEU A 72 11.867 -1.758 -7.966 1.00 0.34 H new ATOM 0 HD23 LEU A 72 12.930 -2.140 -6.591 1.00 0.34 H new ATOM 1118 N MET A 73 9.876 -0.807 -3.603 1.00 0.26 N ATOM 1119 CA MET A 73 8.831 -0.163 -2.817 1.00 0.26 C ATOM 1120 C MET A 73 7.688 0.297 -3.714 1.00 0.21 C ATOM 1121 O MET A 73 7.813 0.305 -4.940 1.00 0.20 O ATOM 1122 CB MET A 73 9.395 1.028 -2.038 1.00 0.30 C ATOM 1123 CG MET A 73 10.375 0.638 -0.943 1.00 0.36 C ATOM 1124 SD MET A 73 11.954 0.062 -1.593 1.00 1.17 S ATOM 1125 CE MET A 73 12.568 1.558 -2.363 1.00 0.80 C ATOM 0 H MET A 73 10.646 -0.192 -3.866 1.00 0.26 H new ATOM 0 HA MET A 73 8.446 -0.895 -2.107 1.00 0.26 H new ATOM 0 HB2 MET A 73 9.893 1.703 -2.735 1.00 0.30 H new ATOM 0 HB3 MET A 73 8.569 1.583 -1.593 1.00 0.30 H new ATOM 0 HG2 MET A 73 10.546 1.496 -0.292 1.00 0.36 H new ATOM 0 HG3 MET A 73 9.933 -0.146 -0.328 1.00 0.36 H new ATOM 0 HE1 MET A 73 12.854 1.346 -3.393 1.00 0.80 H new ATOM 0 HE2 MET A 73 11.788 2.319 -2.352 1.00 0.80 H new ATOM 0 HE3 MET A 73 13.436 1.920 -1.813 1.00 0.80 H new ATOM 1135 N VAL A 74 6.574 0.678 -3.097 1.00 0.20 N ATOM 1136 CA VAL A 74 5.406 1.137 -3.839 1.00 0.16 C ATOM 1137 C VAL A 74 4.651 2.212 -3.066 1.00 0.17 C ATOM 1138 O VAL A 74 4.574 2.171 -1.838 1.00 0.24 O ATOM 1139 CB VAL A 74 4.439 -0.024 -4.151 1.00 0.18 C ATOM 1140 CG1 VAL A 74 3.997 -0.715 -2.872 1.00 0.26 C ATOM 1141 CG2 VAL A 74 3.236 0.472 -4.938 1.00 0.14 C ATOM 0 H VAL A 74 6.456 0.678 -2.084 1.00 0.20 H new ATOM 0 HA VAL A 74 5.775 1.554 -4.776 1.00 0.16 H new ATOM 0 HB VAL A 74 4.970 -0.752 -4.765 1.00 0.18 H new ATOM 0 HG11 VAL A 74 3.316 -1.530 -3.116 1.00 0.26 H new ATOM 0 HG12 VAL A 74 4.869 -1.114 -2.354 1.00 0.26 H new ATOM 0 HG13 VAL A 74 3.489 0.002 -2.228 1.00 0.26 H new ATOM 0 HG21 VAL A 74 2.568 -0.364 -5.147 1.00 0.14 H new ATOM 0 HG22 VAL A 74 2.705 1.224 -4.355 1.00 0.14 H new ATOM 0 HG23 VAL A 74 3.572 0.911 -5.877 1.00 0.14 H new ATOM 1151 N THR A 75 4.105 3.176 -3.799 1.00 0.12 N ATOM 1152 CA THR A 75 3.336 4.255 -3.200 1.00 0.12 C ATOM 1153 C THR A 75 1.920 4.258 -3.759 1.00 0.11 C ATOM 1154 O THR A 75 1.723 4.160 -4.974 1.00 0.11 O ATOM 1155 CB THR A 75 3.984 5.630 -3.451 1.00 0.16 C ATOM 1156 OG1 THR A 75 4.127 5.857 -4.857 1.00 0.18 O ATOM 1157 CG2 THR A 75 5.344 5.719 -2.777 1.00 0.18 C ATOM 0 H THR A 75 4.183 3.230 -4.815 1.00 0.12 H new ATOM 0 HA THR A 75 3.314 4.081 -2.124 1.00 0.12 H new ATOM 0 HB THR A 75 3.334 6.395 -3.025 1.00 0.16 H new ATOM 0 HG1 THR A 75 4.538 6.734 -5.007 1.00 0.18 H new ATOM 0 HG21 THR A 75 5.782 6.699 -2.969 1.00 0.18 H new ATOM 0 HG22 THR A 75 5.228 5.577 -1.703 1.00 0.18 H new ATOM 0 HG23 THR A 75 5.999 4.945 -3.176 1.00 0.18 H new ATOM 1165 N LEU A 76 0.940 4.367 -2.868 1.00 0.12 N ATOM 1166 CA LEU A 76 -0.462 4.369 -3.269 1.00 0.14 C ATOM 1167 C LEU A 76 -1.096 5.732 -2.998 1.00 0.14 C ATOM 1168 O LEU A 76 -0.922 6.302 -1.920 1.00 0.18 O ATOM 1169 CB LEU A 76 -1.227 3.268 -2.520 1.00 0.18 C ATOM 1170 CG LEU A 76 -0.403 2.017 -2.176 1.00 0.16 C ATOM 1171 CD1 LEU A 76 -1.262 0.969 -1.489 1.00 0.21 C ATOM 1172 CD2 LEU A 76 0.217 1.418 -3.422 1.00 0.16 C ATOM 0 H LEU A 76 1.091 4.455 -1.863 1.00 0.12 H new ATOM 0 HA LEU A 76 -0.517 4.171 -4.339 1.00 0.14 H new ATOM 0 HB2 LEU A 76 -1.624 3.688 -1.596 1.00 0.18 H new ATOM 0 HB3 LEU A 76 -2.082 2.966 -3.125 1.00 0.18 H new ATOM 0 HG LEU A 76 0.390 2.328 -1.496 1.00 0.16 H new ATOM 0 HD11 LEU A 76 -0.654 0.095 -1.257 1.00 0.21 H new ATOM 0 HD12 LEU A 76 -1.671 1.381 -0.567 1.00 0.21 H new ATOM 0 HD13 LEU A 76 -2.079 0.678 -2.150 1.00 0.21 H new ATOM 0 HD21 LEU A 76 0.795 0.534 -3.152 1.00 0.16 H new ATOM 0 HD22 LEU A 76 -0.571 1.137 -4.121 1.00 0.16 H new ATOM 0 HD23 LEU A 76 0.873 2.151 -3.890 1.00 0.16 H new ATOM 1184 N SER A 77 -1.823 6.254 -3.983 1.00 0.20 N ATOM 1185 CA SER A 77 -2.476 7.553 -3.844 1.00 0.23 C ATOM 1186 C SER A 77 -3.850 7.559 -4.514 1.00 0.23 C ATOM 1187 O SER A 77 -3.965 7.880 -5.697 1.00 0.19 O ATOM 1188 CB SER A 77 -1.599 8.652 -4.449 1.00 0.26 C ATOM 1189 OG SER A 77 -2.223 9.920 -4.339 1.00 0.29 O ATOM 0 H SER A 77 -1.974 5.799 -4.883 1.00 0.20 H new ATOM 0 HA SER A 77 -2.615 7.745 -2.780 1.00 0.23 H new ATOM 0 HB2 SER A 77 -0.634 8.673 -3.942 1.00 0.26 H new ATOM 0 HB3 SER A 77 -1.403 8.429 -5.498 1.00 0.26 H new ATOM 0 HG SER A 77 -2.919 10.003 -5.024 1.00 0.29 H new ATOM 1195 N PRO A 78 -4.914 7.209 -3.767 1.00 0.30 N ATOM 1196 CA PRO A 78 -6.278 7.183 -4.306 1.00 0.33 C ATOM 1197 C PRO A 78 -6.745 8.564 -4.743 1.00 0.34 C ATOM 1198 O PRO A 78 -7.578 8.698 -5.639 1.00 0.41 O ATOM 1199 CB PRO A 78 -7.128 6.678 -3.134 1.00 0.39 C ATOM 1200 CG PRO A 78 -6.311 6.953 -1.919 1.00 0.41 C ATOM 1201 CD PRO A 78 -4.878 6.818 -2.347 1.00 0.37 C ATOM 0 HA PRO A 78 -6.350 6.556 -5.195 1.00 0.33 H new ATOM 0 HB2 PRO A 78 -8.087 7.195 -3.090 1.00 0.39 H new ATOM 0 HB3 PRO A 78 -7.344 5.614 -3.232 1.00 0.39 H new ATOM 0 HG2 PRO A 78 -6.511 7.952 -1.532 1.00 0.41 H new ATOM 0 HG3 PRO A 78 -6.548 6.249 -1.121 1.00 0.41 H new ATOM 0 HD2 PRO A 78 -4.221 7.467 -1.767 1.00 0.37 H new ATOM 0 HD3 PRO A 78 -4.514 5.799 -2.219 1.00 0.37 H new ATOM 1209 N THR A 79 -6.198 9.589 -4.100 1.00 0.34 N ATOM 1210 CA THR A 79 -6.548 10.967 -4.417 1.00 0.37 C ATOM 1211 C THR A 79 -5.395 11.666 -5.131 1.00 0.36 C ATOM 1212 O THR A 79 -4.572 11.017 -5.778 1.00 0.32 O ATOM 1213 CB THR A 79 -6.916 11.756 -3.147 1.00 0.44 C ATOM 1214 OG1 THR A 79 -5.792 11.805 -2.263 1.00 0.52 O ATOM 1215 CG2 THR A 79 -8.099 11.116 -2.436 1.00 0.51 C ATOM 0 H THR A 79 -5.509 9.491 -3.354 1.00 0.34 H new ATOM 0 HA THR A 79 -7.416 10.939 -5.076 1.00 0.37 H new ATOM 0 HB THR A 79 -7.194 12.768 -3.440 1.00 0.44 H new ATOM 0 HG1 THR A 79 -5.593 10.903 -1.937 1.00 0.52 H new ATOM 0 HG21 THR A 79 -8.341 11.691 -1.542 1.00 0.51 H new ATOM 0 HG22 THR A 79 -8.961 11.103 -3.103 1.00 0.51 H new ATOM 0 HG23 THR A 79 -7.844 10.095 -2.153 1.00 0.51 H new ATOM 1223 N LYS A 80 -5.339 12.990 -5.014 1.00 0.41 N ATOM 1224 CA LYS A 80 -4.290 13.767 -5.663 1.00 0.43 C ATOM 1225 C LYS A 80 -2.988 13.751 -4.860 1.00 0.43 C ATOM 1226 O LYS A 80 -2.059 13.013 -5.186 1.00 0.47 O ATOM 1227 CB LYS A 80 -4.752 15.212 -5.874 1.00 0.46 C ATOM 1228 CG LYS A 80 -6.152 15.334 -6.463 1.00 0.44 C ATOM 1229 CD LYS A 80 -6.306 14.523 -7.744 1.00 0.43 C ATOM 1230 CE LYS A 80 -5.357 15.001 -8.833 1.00 1.19 C ATOM 1231 NZ LYS A 80 -5.585 16.431 -9.182 1.00 2.08 N ATOM 0 H LYS A 80 -6.006 13.545 -4.477 1.00 0.41 H new ATOM 0 HA LYS A 80 -4.093 13.303 -6.629 1.00 0.43 H new ATOM 0 HB2 LYS A 80 -4.724 15.735 -4.918 1.00 0.46 H new ATOM 0 HB3 LYS A 80 -4.046 15.716 -6.534 1.00 0.46 H new ATOM 0 HG2 LYS A 80 -6.884 14.996 -5.730 1.00 0.44 H new ATOM 0 HG3 LYS A 80 -6.368 16.382 -6.670 1.00 0.44 H new ATOM 0 HD2 LYS A 80 -6.116 13.471 -7.533 1.00 0.43 H new ATOM 0 HD3 LYS A 80 -7.334 14.597 -8.099 1.00 0.43 H new ATOM 0 HE2 LYS A 80 -4.327 14.868 -8.501 1.00 1.19 H new ATOM 0 HE3 LYS A 80 -5.487 14.385 -9.723 1.00 1.19 H new ATOM 0 HZ1 LYS A 80 -5.069 16.662 -10.055 1.00 2.08 H new ATOM 0 HZ2 LYS A 80 -6.602 16.595 -9.327 1.00 2.08 H new ATOM 0 HZ3 LYS A 80 -5.244 17.036 -8.408 1.00 2.08 H new ATOM 1245 N ASP A 81 -2.928 14.567 -3.808 1.00 0.41 N ATOM 1246 CA ASP A 81 -1.729 14.663 -2.981 1.00 0.43 C ATOM 1247 C ASP A 81 -1.743 13.677 -1.813 1.00 0.43 C ATOM 1248 O ASP A 81 -0.732 13.038 -1.531 1.00 0.61 O ATOM 1249 CB ASP A 81 -1.573 16.088 -2.447 1.00 0.42 C ATOM 1250 CG ASP A 81 -1.515 17.118 -3.559 1.00 0.44 C ATOM 1251 OD1 ASP A 81 -0.428 17.290 -4.152 1.00 0.48 O ATOM 1252 OD2 ASP A 81 -2.554 17.751 -3.838 1.00 0.44 O ATOM 0 H ASP A 81 -3.695 15.170 -3.510 1.00 0.41 H new ATOM 0 HA ASP A 81 -0.882 14.406 -3.617 1.00 0.43 H new ATOM 0 HB2 ASP A 81 -2.408 16.319 -1.785 1.00 0.42 H new ATOM 0 HB3 ASP A 81 -0.664 16.152 -1.849 1.00 0.42 H new ATOM 1257 N PHE A 82 -2.882 13.563 -1.134 1.00 0.31 N ATOM 1258 CA PHE A 82 -3.003 12.664 0.014 1.00 0.30 C ATOM 1259 C PHE A 82 -2.417 11.283 -0.280 1.00 0.27 C ATOM 1260 O PHE A 82 -2.905 10.560 -1.150 1.00 0.32 O ATOM 1261 CB PHE A 82 -4.468 12.527 0.434 1.00 0.31 C ATOM 1262 CG PHE A 82 -5.132 13.840 0.731 1.00 0.34 C ATOM 1263 CD1 PHE A 82 -5.032 14.412 1.990 1.00 0.34 C ATOM 1264 CD2 PHE A 82 -5.859 14.503 -0.246 1.00 0.43 C ATOM 1265 CE1 PHE A 82 -5.642 15.620 2.267 1.00 0.39 C ATOM 1266 CE2 PHE A 82 -6.471 15.712 0.027 1.00 0.47 C ATOM 1267 CZ PHE A 82 -6.364 16.271 1.285 1.00 0.44 C ATOM 0 H PHE A 82 -3.733 14.080 -1.357 1.00 0.31 H new ATOM 0 HA PHE A 82 -2.431 13.104 0.831 1.00 0.30 H new ATOM 0 HB2 PHE A 82 -5.019 12.022 -0.359 1.00 0.31 H new ATOM 0 HB3 PHE A 82 -4.526 11.892 1.318 1.00 0.31 H new ATOM 0 HD1 PHE A 82 -4.471 13.907 2.763 1.00 0.34 H new ATOM 0 HD2 PHE A 82 -5.948 14.070 -1.231 1.00 0.43 H new ATOM 0 HE1 PHE A 82 -5.555 16.056 3.251 1.00 0.39 H new ATOM 0 HE2 PHE A 82 -7.033 16.219 -0.743 1.00 0.47 H new ATOM 0 HZ PHE A 82 -6.843 17.214 1.501 1.00 0.44 H new ATOM 1277 N TRP A 83 -1.363 10.930 0.455 1.00 0.22 N ATOM 1278 CA TRP A 83 -0.702 9.637 0.293 1.00 0.20 C ATOM 1279 C TRP A 83 -1.014 8.719 1.472 1.00 0.19 C ATOM 1280 O TRP A 83 -1.543 9.164 2.494 1.00 0.22 O ATOM 1281 CB TRP A 83 0.814 9.821 0.172 1.00 0.21 C ATOM 1282 CG TRP A 83 1.262 10.314 -1.171 1.00 0.22 C ATOM 1283 CD1 TRP A 83 1.226 9.627 -2.352 1.00 0.25 C ATOM 1284 CD2 TRP A 83 1.831 11.594 -1.471 1.00 0.27 C ATOM 1285 NE1 TRP A 83 1.730 10.406 -3.366 1.00 0.31 N ATOM 1286 CE2 TRP A 83 2.107 11.617 -2.850 1.00 0.32 C ATOM 1287 CE3 TRP A 83 2.127 12.726 -0.705 1.00 0.31 C ATOM 1288 CZ2 TRP A 83 2.669 12.726 -3.479 1.00 0.39 C ATOM 1289 CZ3 TRP A 83 2.683 13.826 -1.331 1.00 0.38 C ATOM 1290 CH2 TRP A 83 2.947 13.819 -2.706 1.00 0.41 C ATOM 0 H TRP A 83 -0.947 11.525 1.172 1.00 0.22 H new ATOM 0 HA TRP A 83 -1.080 9.178 -0.621 1.00 0.20 H new ATOM 0 HB2 TRP A 83 1.147 10.524 0.935 1.00 0.21 H new ATOM 0 HB3 TRP A 83 1.303 8.869 0.380 1.00 0.21 H new ATOM 0 HD1 TRP A 83 0.856 8.619 -2.471 1.00 0.25 H new ATOM 0 HE1 TRP A 83 1.810 10.127 -4.344 1.00 0.31 H new ATOM 0 HE3 TRP A 83 1.925 12.741 0.356 1.00 0.31 H new ATOM 0 HZ2 TRP A 83 2.877 12.722 -4.539 1.00 0.39 H new ATOM 0 HZ3 TRP A 83 2.918 14.705 -0.750 1.00 0.38 H new ATOM 0 HH2 TRP A 83 3.379 14.695 -3.166 1.00 0.41 H new ATOM 1301 N LEU A 84 -0.679 7.438 1.327 1.00 0.16 N ATOM 1302 CA LEU A 84 -0.920 6.457 2.381 1.00 0.17 C ATOM 1303 C LEU A 84 0.237 6.424 3.374 1.00 0.17 C ATOM 1304 O LEU A 84 1.398 6.292 2.987 1.00 0.24 O ATOM 1305 CB LEU A 84 -1.123 5.061 1.780 1.00 0.19 C ATOM 1306 CG LEU A 84 -2.558 4.730 1.361 1.00 0.14 C ATOM 1307 CD1 LEU A 84 -3.027 5.668 0.261 1.00 0.22 C ATOM 1308 CD2 LEU A 84 -2.653 3.281 0.903 1.00 0.16 C ATOM 0 H LEU A 84 -0.240 7.056 0.489 1.00 0.16 H new ATOM 0 HA LEU A 84 -1.825 6.755 2.910 1.00 0.17 H new ATOM 0 HB2 LEU A 84 -0.476 4.961 0.909 1.00 0.19 H new ATOM 0 HB3 LEU A 84 -0.794 4.319 2.508 1.00 0.19 H new ATOM 0 HG LEU A 84 -3.209 4.866 2.225 1.00 0.14 H new ATOM 0 HD11 LEU A 84 -4.049 5.415 -0.022 1.00 0.22 H new ATOM 0 HD12 LEU A 84 -2.994 6.696 0.621 1.00 0.22 H new ATOM 0 HD13 LEU A 84 -2.375 5.566 -0.606 1.00 0.22 H new ATOM 0 HD21 LEU A 84 -3.679 3.059 0.608 1.00 0.16 H new ATOM 0 HD22 LEU A 84 -1.989 3.124 0.053 1.00 0.16 H new ATOM 0 HD23 LEU A 84 -2.360 2.621 1.720 1.00 0.16 H new ATOM 1320 N HIS A 85 -0.093 6.542 4.657 1.00 0.23 N ATOM 1321 CA HIS A 85 0.912 6.527 5.713 1.00 0.24 C ATOM 1322 C HIS A 85 0.550 5.508 6.790 1.00 0.27 C ATOM 1323 O HIS A 85 -0.624 5.332 7.124 1.00 0.36 O ATOM 1324 CB HIS A 85 1.056 7.918 6.331 1.00 0.24 C ATOM 1325 CG HIS A 85 1.660 8.922 5.397 1.00 0.23 C ATOM 1326 ND1 HIS A 85 0.923 9.901 4.762 1.00 0.29 N ATOM 1327 CD2 HIS A 85 2.941 9.097 4.992 1.00 0.33 C ATOM 1328 CE1 HIS A 85 1.725 10.631 4.007 1.00 0.29 C ATOM 1329 NE2 HIS A 85 2.953 10.164 4.128 1.00 0.30 N ATOM 0 H HIS A 85 -1.051 6.649 4.990 1.00 0.23 H new ATOM 0 HA HIS A 85 1.866 6.238 5.271 1.00 0.24 H new ATOM 0 HB2 HIS A 85 0.074 8.271 6.647 1.00 0.24 H new ATOM 0 HB3 HIS A 85 1.673 7.848 7.227 1.00 0.24 H new ATOM 0 HD2 HIS A 85 3.794 8.507 5.293 1.00 0.33 H new ATOM 0 HE1 HIS A 85 1.426 11.469 3.394 1.00 0.29 H new ATOM 0 HE2 HIS A 85 3.778 10.535 3.656 1.00 0.30 H new ATOM 1338 N ALA A 86 1.567 4.841 7.328 1.00 0.27 N ATOM 1339 CA ALA A 86 1.366 3.831 8.361 1.00 0.31 C ATOM 1340 C ALA A 86 1.371 4.452 9.754 1.00 0.29 C ATOM 1341 O ALA A 86 2.430 4.721 10.321 1.00 0.47 O ATOM 1342 CB ALA A 86 2.437 2.756 8.258 1.00 0.47 C ATOM 0 H ALA A 86 2.542 4.983 7.064 1.00 0.27 H new ATOM 0 HA ALA A 86 0.388 3.377 8.202 1.00 0.31 H new ATOM 0 HB1 ALA A 86 2.277 2.007 9.034 1.00 0.47 H new ATOM 0 HB2 ALA A 86 2.382 2.281 7.279 1.00 0.47 H new ATOM 0 HB3 ALA A 86 3.420 3.208 8.388 1.00 0.47 H new ATOM 1348 N ASN A 87 0.179 4.674 10.300 1.00 0.33 N ATOM 1349 CA ASN A 87 0.043 5.253 11.631 1.00 0.43 C ATOM 1350 C ASN A 87 0.194 4.175 12.703 1.00 0.46 C ATOM 1351 O ASN A 87 -0.779 3.528 13.088 1.00 0.53 O ATOM 1352 CB ASN A 87 -1.315 5.948 11.770 1.00 0.56 C ATOM 1353 CG ASN A 87 -1.458 6.678 13.091 1.00 1.09 C ATOM 1354 OD1 ASN A 87 -1.953 5.976 14.103 1.00 1.83 O flip ATOM 1355 ND2 ASN A 87 -1.131 7.858 13.198 1.00 1.83 N flip ATOM 0 H ASN A 87 -0.706 4.461 9.840 1.00 0.33 H new ATOM 0 HA ASN A 87 0.833 5.991 11.768 1.00 0.43 H new ATOM 0 HB2 ASN A 87 -1.443 6.656 10.951 1.00 0.56 H new ATOM 0 HB3 ASN A 87 -2.110 5.208 11.679 1.00 0.56 H new ATOM 0 HD21 ASN A 87 -0.755 8.358 12.392 1.00 1.83 H new ATOM 0 HD22 ASN A 87 -1.236 8.337 14.092 1.00 1.83 H new ATOM 1362 N ASN A 88 1.423 3.991 13.177 1.00 0.49 N ATOM 1363 CA ASN A 88 1.718 2.987 14.193 1.00 0.56 C ATOM 1364 C ASN A 88 0.971 3.270 15.494 1.00 0.60 C ATOM 1365 O ASN A 88 0.752 2.366 16.302 1.00 0.73 O ATOM 1366 CB ASN A 88 3.224 2.936 14.461 1.00 0.65 C ATOM 1367 CG ASN A 88 3.751 4.232 15.046 1.00 1.56 C ATOM 1368 OD1 ASN A 88 4.120 5.152 14.315 1.00 2.56 O ATOM 1369 ND2 ASN A 88 3.792 4.310 16.371 1.00 1.79 N ATOM 0 H ASN A 88 2.235 4.528 12.871 1.00 0.49 H new ATOM 0 HA ASN A 88 1.382 2.022 13.813 1.00 0.56 H new ATOM 0 HB2 ASN A 88 3.441 2.117 15.146 1.00 0.65 H new ATOM 0 HB3 ASN A 88 3.749 2.721 13.530 1.00 0.65 H new ATOM 0 HD21 ASN A 88 4.139 5.157 16.822 1.00 1.79 H new ATOM 0 HD22 ASN A 88 3.476 3.523 16.938 1.00 1.79 H new ATOM 1376 N LYS A 89 0.578 4.523 15.691 1.00 0.56 N ATOM 1377 CA LYS A 89 -0.137 4.917 16.900 1.00 0.63 C ATOM 1378 C LYS A 89 -1.457 4.162 17.026 1.00 0.61 C ATOM 1379 O LYS A 89 -1.910 3.866 18.132 1.00 0.77 O ATOM 1380 CB LYS A 89 -0.396 6.425 16.907 1.00 0.72 C ATOM 1381 CG LYS A 89 0.821 7.258 17.294 1.00 1.41 C ATOM 1382 CD LYS A 89 1.903 7.223 16.224 1.00 1.89 C ATOM 1383 CE LYS A 89 1.456 7.924 14.950 1.00 2.63 C ATOM 1384 NZ LYS A 89 2.529 7.939 13.918 1.00 3.20 N ATOM 0 H LYS A 89 0.742 5.283 15.031 1.00 0.56 H new ATOM 0 HA LYS A 89 0.490 4.663 17.755 1.00 0.63 H new ATOM 0 HB2 LYS A 89 -0.733 6.731 15.917 1.00 0.72 H new ATOM 0 HB3 LYS A 89 -1.208 6.641 17.601 1.00 0.72 H new ATOM 0 HG2 LYS A 89 0.514 8.290 17.465 1.00 1.41 H new ATOM 0 HG3 LYS A 89 1.229 6.887 18.234 1.00 1.41 H new ATOM 0 HD2 LYS A 89 2.806 7.700 16.604 1.00 1.89 H new ATOM 0 HD3 LYS A 89 2.159 6.188 15.999 1.00 1.89 H new ATOM 0 HE2 LYS A 89 0.575 7.423 14.550 1.00 2.63 H new ATOM 0 HE3 LYS A 89 1.162 8.947 15.183 1.00 2.63 H new ATOM 0 HZ1 LYS A 89 2.100 8.003 12.973 1.00 3.20 H new ATOM 0 HZ2 LYS A 89 3.149 8.760 14.073 1.00 3.20 H new ATOM 0 HZ3 LYS A 89 3.089 7.065 13.986 1.00 3.20 H new ATOM 1398 N GLU A 90 -2.066 3.851 15.888 1.00 0.52 N ATOM 1399 CA GLU A 90 -3.335 3.130 15.871 1.00 0.55 C ATOM 1400 C GLU A 90 -3.214 1.837 15.070 1.00 0.41 C ATOM 1401 O GLU A 90 -4.188 1.099 14.911 1.00 0.42 O ATOM 1402 CB GLU A 90 -4.441 4.006 15.276 1.00 0.72 C ATOM 1403 CG GLU A 90 -4.605 5.345 15.977 1.00 0.91 C ATOM 1404 CD GLU A 90 -5.114 5.204 17.397 1.00 1.03 C ATOM 1405 OE1 GLU A 90 -6.349 5.188 17.586 1.00 1.04 O ATOM 1406 OE2 GLU A 90 -4.280 5.108 18.322 1.00 1.61 O ATOM 0 H GLU A 90 -1.702 4.086 14.965 1.00 0.52 H new ATOM 0 HA GLU A 90 -3.593 2.881 16.900 1.00 0.55 H new ATOM 0 HB2 GLU A 90 -4.225 4.182 14.222 1.00 0.72 H new ATOM 0 HB3 GLU A 90 -5.386 3.464 15.322 1.00 0.72 H new ATOM 0 HG2 GLU A 90 -3.646 5.864 15.989 1.00 0.91 H new ATOM 0 HG3 GLU A 90 -5.297 5.966 15.408 1.00 0.91 H new ATOM 1413 N HIS A 91 -2.009 1.575 14.567 1.00 0.33 N ATOM 1414 CA HIS A 91 -1.746 0.375 13.777 1.00 0.29 C ATOM 1415 C HIS A 91 -2.670 0.309 12.564 1.00 0.29 C ATOM 1416 O HIS A 91 -3.217 -0.746 12.246 1.00 0.34 O ATOM 1417 CB HIS A 91 -1.916 -0.879 14.638 1.00 0.38 C ATOM 1418 CG HIS A 91 -1.011 -0.916 15.831 1.00 0.49 C ATOM 1419 ND1 HIS A 91 0.185 -1.606 15.851 1.00 1.11 N ATOM 1420 CD2 HIS A 91 -1.131 -0.342 17.053 1.00 1.24 C ATOM 1421 CE1 HIS A 91 0.758 -1.456 17.032 1.00 0.91 C ATOM 1422 NE2 HIS A 91 -0.020 -0.693 17.779 1.00 0.95 N ATOM 0 H HIS A 91 -1.198 2.180 14.693 1.00 0.33 H new ATOM 0 HA HIS A 91 -0.716 0.422 13.423 1.00 0.29 H new ATOM 0 HB2 HIS A 91 -2.951 -0.940 14.976 1.00 0.38 H new ATOM 0 HB3 HIS A 91 -1.729 -1.759 14.023 1.00 0.38 H new ATOM 0 HD2 HIS A 91 -1.949 0.277 17.392 1.00 1.24 H new ATOM 0 HE1 HIS A 91 1.702 -1.884 17.335 1.00 0.91 H new ATOM 0 HE2 HIS A 91 0.174 -0.410 18.740 1.00 0.95 H new ATOM 1431 N SER A 92 -2.833 1.445 11.891 1.00 0.34 N ATOM 1432 CA SER A 92 -3.692 1.522 10.713 1.00 0.44 C ATOM 1433 C SER A 92 -3.115 2.486 9.678 1.00 0.35 C ATOM 1434 O SER A 92 -2.201 3.253 9.974 1.00 0.30 O ATOM 1435 CB SER A 92 -5.098 1.970 11.113 1.00 0.61 C ATOM 1436 OG SER A 92 -5.679 1.066 12.038 1.00 1.33 O ATOM 0 H SER A 92 -2.382 2.325 12.141 1.00 0.34 H new ATOM 0 HA SER A 92 -3.745 0.529 10.267 1.00 0.44 H new ATOM 0 HB2 SER A 92 -5.054 2.966 11.553 1.00 0.61 H new ATOM 0 HB3 SER A 92 -5.727 2.041 10.225 1.00 0.61 H new ATOM 0 HG SER A 92 -5.214 1.134 12.898 1.00 1.33 H new ATOM 1442 N VAL A 93 -3.659 2.438 8.465 1.00 0.38 N ATOM 1443 CA VAL A 93 -3.201 3.307 7.386 1.00 0.33 C ATOM 1444 C VAL A 93 -4.150 4.485 7.195 1.00 0.29 C ATOM 1445 O VAL A 93 -5.366 4.307 7.118 1.00 0.31 O ATOM 1446 CB VAL A 93 -3.081 2.537 6.057 1.00 0.40 C ATOM 1447 CG1 VAL A 93 -2.462 3.415 4.981 1.00 0.84 C ATOM 1448 CG2 VAL A 93 -2.271 1.263 6.248 1.00 1.20 C ATOM 0 H VAL A 93 -4.417 1.807 8.205 1.00 0.38 H new ATOM 0 HA VAL A 93 -2.216 3.677 7.671 1.00 0.33 H new ATOM 0 HB VAL A 93 -4.083 2.258 5.731 1.00 0.40 H new ATOM 0 HG11 VAL A 93 -2.386 2.852 4.051 1.00 0.84 H new ATOM 0 HG12 VAL A 93 -3.088 4.293 4.824 1.00 0.84 H new ATOM 0 HG13 VAL A 93 -1.467 3.730 5.296 1.00 0.84 H new ATOM 0 HG21 VAL A 93 -2.197 0.733 5.298 1.00 1.20 H new ATOM 0 HG22 VAL A 93 -1.271 1.517 6.600 1.00 1.20 H new ATOM 0 HG23 VAL A 93 -2.763 0.625 6.982 1.00 1.20 H new ATOM 1458 N GLU A 94 -3.588 5.687 7.116 1.00 0.30 N ATOM 1459 CA GLU A 94 -4.390 6.892 6.941 1.00 0.31 C ATOM 1460 C GLU A 94 -3.845 7.755 5.809 1.00 0.27 C ATOM 1461 O GLU A 94 -2.665 7.673 5.464 1.00 0.29 O ATOM 1462 CB GLU A 94 -4.422 7.701 8.238 1.00 0.39 C ATOM 1463 CG GLU A 94 -5.024 6.945 9.412 1.00 0.67 C ATOM 1464 CD GLU A 94 -5.038 7.764 10.687 1.00 1.47 C ATOM 1465 OE1 GLU A 94 -4.019 7.756 11.408 1.00 2.41 O ATOM 1466 OE2 GLU A 94 -6.068 8.414 10.963 1.00 1.54 O ATOM 0 H GLU A 94 -2.583 5.852 7.170 1.00 0.30 H new ATOM 0 HA GLU A 94 -5.403 6.585 6.683 1.00 0.31 H new ATOM 0 HB2 GLU A 94 -3.406 8.003 8.493 1.00 0.39 H new ATOM 0 HB3 GLU A 94 -4.994 8.614 8.073 1.00 0.39 H new ATOM 0 HG2 GLU A 94 -6.043 6.648 9.164 1.00 0.67 H new ATOM 0 HG3 GLU A 94 -4.457 6.029 9.579 1.00 0.67 H new ATOM 1473 N LEU A 95 -4.711 8.583 5.235 1.00 0.31 N ATOM 1474 CA LEU A 95 -4.319 9.464 4.143 1.00 0.32 C ATOM 1475 C LEU A 95 -3.874 10.823 4.674 1.00 0.29 C ATOM 1476 O LEU A 95 -4.646 11.528 5.324 1.00 0.37 O ATOM 1477 CB LEU A 95 -5.477 9.650 3.158 1.00 0.44 C ATOM 1478 CG LEU A 95 -5.842 8.411 2.336 1.00 0.50 C ATOM 1479 CD1 LEU A 95 -6.594 7.402 3.190 1.00 1.11 C ATOM 1480 CD2 LEU A 95 -6.669 8.805 1.123 1.00 0.62 C ATOM 0 H LEU A 95 -5.690 8.662 5.509 1.00 0.31 H new ATOM 0 HA LEU A 95 -3.481 8.998 3.624 1.00 0.32 H new ATOM 0 HB2 LEU A 95 -6.358 9.969 3.715 1.00 0.44 H new ATOM 0 HB3 LEU A 95 -5.223 10.459 2.473 1.00 0.44 H new ATOM 0 HG LEU A 95 -4.920 7.944 1.990 1.00 0.50 H new ATOM 0 HD11 LEU A 95 -6.844 6.529 2.587 1.00 1.11 H new ATOM 0 HD12 LEU A 95 -5.968 7.096 4.028 1.00 1.11 H new ATOM 0 HD13 LEU A 95 -7.510 7.856 3.568 1.00 1.11 H new ATOM 0 HD21 LEU A 95 -6.920 7.913 0.549 1.00 0.62 H new ATOM 0 HD22 LEU A 95 -7.585 9.296 1.451 1.00 0.62 H new ATOM 0 HD23 LEU A 95 -6.095 9.489 0.498 1.00 0.62 H new ATOM 1492 N HIS A 96 -2.627 11.181 4.392 1.00 0.25 N ATOM 1493 CA HIS A 96 -2.079 12.457 4.842 1.00 0.30 C ATOM 1494 C HIS A 96 -1.371 13.180 3.701 1.00 0.25 C ATOM 1495 O HIS A 96 -0.729 12.552 2.856 1.00 0.22 O ATOM 1496 CB HIS A 96 -1.113 12.240 6.009 1.00 0.39 C ATOM 1497 CG HIS A 96 -1.775 11.722 7.249 1.00 0.73 C ATOM 1498 ND1 HIS A 96 -2.168 12.537 8.290 1.00 1.24 N ATOM 1499 CD2 HIS A 96 -2.117 10.463 7.612 1.00 1.11 C ATOM 1500 CE1 HIS A 96 -2.719 11.802 9.239 1.00 1.64 C ATOM 1501 NE2 HIS A 96 -2.701 10.541 8.851 1.00 1.57 N ATOM 0 H HIS A 96 -1.976 10.608 3.855 1.00 0.25 H new ATOM 0 HA HIS A 96 -2.907 13.080 5.180 1.00 0.30 H new ATOM 0 HB2 HIS A 96 -0.337 11.539 5.702 1.00 0.39 H new ATOM 0 HB3 HIS A 96 -0.617 13.183 6.239 1.00 0.39 H new ATOM 0 HD1 HIS A 96 -2.051 13.550 8.322 1.00 1.24 H new ATOM 0 HD2 HIS A 96 -1.959 9.565 7.034 1.00 1.11 H new ATOM 0 HE1 HIS A 96 -3.116 12.170 10.173 1.00 1.64 H new ATOM 1510 N LYS A 97 -1.496 14.505 3.682 1.00 0.32 N ATOM 1511 CA LYS A 97 -0.870 15.322 2.647 1.00 0.32 C ATOM 1512 C LYS A 97 0.323 16.089 3.210 1.00 0.34 C ATOM 1513 O LYS A 97 0.166 17.174 3.772 1.00 0.50 O ATOM 1514 CB LYS A 97 -1.889 16.298 2.052 1.00 0.39 C ATOM 1515 CG LYS A 97 -1.308 17.219 0.991 1.00 0.42 C ATOM 1516 CD LYS A 97 -2.355 18.181 0.453 1.00 0.53 C ATOM 1517 CE LYS A 97 -1.761 19.134 -0.572 1.00 1.29 C ATOM 1518 NZ LYS A 97 -2.776 20.086 -1.102 1.00 2.10 N ATOM 0 H LYS A 97 -2.026 15.036 4.373 1.00 0.32 H new ATOM 0 HA LYS A 97 -0.513 14.659 1.859 1.00 0.32 H new ATOM 0 HB2 LYS A 97 -2.711 15.730 1.616 1.00 0.39 H new ATOM 0 HB3 LYS A 97 -2.310 16.903 2.855 1.00 0.39 H new ATOM 0 HG2 LYS A 97 -0.477 17.784 1.414 1.00 0.42 H new ATOM 0 HG3 LYS A 97 -0.905 16.623 0.172 1.00 0.42 H new ATOM 0 HD2 LYS A 97 -3.169 17.617 -0.002 1.00 0.53 H new ATOM 0 HD3 LYS A 97 -2.784 18.752 1.277 1.00 0.53 H new ATOM 0 HE2 LYS A 97 -0.943 19.692 -0.117 1.00 1.29 H new ATOM 0 HE3 LYS A 97 -1.336 18.561 -1.396 1.00 1.29 H new ATOM 0 HZ1 LYS A 97 -2.330 20.718 -1.797 1.00 2.10 H new ATOM 0 HZ2 LYS A 97 -3.544 19.555 -1.559 1.00 2.10 H new ATOM 0 HZ3 LYS A 97 -3.164 20.651 -0.320 1.00 2.10 H new ATOM 1532 N CYS A 98 1.513 15.519 3.056 1.00 0.37 N ATOM 1533 CA CYS A 98 2.733 16.148 3.550 1.00 0.43 C ATOM 1534 C CYS A 98 3.482 16.847 2.420 1.00 0.40 C ATOM 1535 O CYS A 98 3.033 16.847 1.274 1.00 0.37 O ATOM 1536 CB CYS A 98 3.640 15.109 4.210 1.00 0.49 C ATOM 1537 SG CYS A 98 2.887 14.256 5.615 1.00 1.10 S ATOM 0 H CYS A 98 1.659 14.622 2.593 1.00 0.37 H new ATOM 0 HA CYS A 98 2.449 16.895 4.292 1.00 0.43 H new ATOM 0 HB2 CYS A 98 3.931 14.370 3.463 1.00 0.49 H new ATOM 0 HB3 CYS A 98 4.554 15.600 4.544 1.00 0.49 H new ATOM 0 HG CYS A 98 3.731 13.396 6.104 1.00 1.10 H new ATOM 1543 N GLU A 99 4.626 17.440 2.750 1.00 0.46 N ATOM 1544 CA GLU A 99 5.439 18.140 1.761 1.00 0.47 C ATOM 1545 C GLU A 99 5.900 17.184 0.663 1.00 0.42 C ATOM 1546 O GLU A 99 5.648 15.980 0.732 1.00 0.38 O ATOM 1547 CB GLU A 99 6.655 18.785 2.432 1.00 0.53 C ATOM 1548 CG GLU A 99 6.297 19.727 3.571 1.00 1.09 C ATOM 1549 CD GLU A 99 5.421 20.881 3.123 1.00 1.85 C ATOM 1550 OE1 GLU A 99 4.181 20.728 3.151 1.00 2.55 O ATOM 1551 OE2 GLU A 99 5.973 21.934 2.744 1.00 2.07 O ATOM 0 H GLU A 99 5.011 17.450 3.695 1.00 0.46 H new ATOM 0 HA GLU A 99 4.826 18.919 1.309 1.00 0.47 H new ATOM 0 HB2 GLU A 99 7.308 18.000 2.813 1.00 0.53 H new ATOM 0 HB3 GLU A 99 7.223 19.335 1.682 1.00 0.53 H new ATOM 0 HG2 GLU A 99 5.782 19.167 4.352 1.00 1.09 H new ATOM 0 HG3 GLU A 99 7.212 20.121 4.012 1.00 1.09 H new ATOM 1558 N LYS A 100 6.570 17.726 -0.350 1.00 0.45 N ATOM 1559 CA LYS A 100 7.062 16.917 -1.462 1.00 0.46 C ATOM 1560 C LYS A 100 7.933 15.753 -0.974 1.00 0.45 C ATOM 1561 O LYS A 100 7.692 14.607 -1.355 1.00 0.45 O ATOM 1562 CB LYS A 100 7.837 17.788 -2.459 1.00 0.52 C ATOM 1563 CG LYS A 100 8.563 16.997 -3.540 1.00 0.56 C ATOM 1564 CD LYS A 100 7.619 16.071 -4.295 1.00 0.60 C ATOM 1565 CE LYS A 100 8.314 15.401 -5.470 1.00 0.96 C ATOM 1566 NZ LYS A 100 8.791 16.394 -6.472 1.00 1.77 N ATOM 0 H LYS A 100 6.785 18.720 -0.424 1.00 0.45 H new ATOM 0 HA LYS A 100 6.196 16.490 -1.968 1.00 0.46 H new ATOM 0 HB2 LYS A 100 7.144 18.482 -2.935 1.00 0.52 H new ATOM 0 HB3 LYS A 100 8.564 18.388 -1.912 1.00 0.52 H new ATOM 0 HG2 LYS A 100 9.033 17.687 -4.241 1.00 0.56 H new ATOM 0 HG3 LYS A 100 9.362 16.410 -3.086 1.00 0.56 H new ATOM 0 HD2 LYS A 100 7.235 15.310 -3.616 1.00 0.60 H new ATOM 0 HD3 LYS A 100 6.761 16.639 -4.655 1.00 0.60 H new ATOM 0 HE2 LYS A 100 9.160 14.817 -5.107 1.00 0.96 H new ATOM 0 HE3 LYS A 100 7.627 14.703 -5.949 1.00 0.96 H new ATOM 0 HZ1 LYS A 100 8.960 15.917 -7.380 1.00 1.77 H new ATOM 0 HZ2 LYS A 100 8.070 17.133 -6.598 1.00 1.77 H new ATOM 0 HZ3 LYS A 100 9.676 16.827 -6.138 1.00 1.77 H new ATOM 1580 N PRO A 101 8.959 16.015 -0.130 1.00 0.46 N ATOM 1581 CA PRO A 101 9.840 14.956 0.380 1.00 0.48 C ATOM 1582 C PRO A 101 9.066 13.864 1.112 1.00 0.42 C ATOM 1583 O PRO A 101 8.810 13.966 2.312 1.00 0.45 O ATOM 1584 CB PRO A 101 10.782 15.688 1.347 1.00 0.55 C ATOM 1585 CG PRO A 101 10.112 16.988 1.638 1.00 0.64 C ATOM 1586 CD PRO A 101 9.341 17.338 0.400 1.00 0.48 C ATOM 0 HA PRO A 101 10.363 14.445 -0.428 1.00 0.48 H new ATOM 0 HB2 PRO A 101 10.935 15.111 2.259 1.00 0.55 H new ATOM 0 HB3 PRO A 101 11.764 15.843 0.899 1.00 0.55 H new ATOM 0 HG2 PRO A 101 9.450 16.902 2.500 1.00 0.64 H new ATOM 0 HG3 PRO A 101 10.844 17.761 1.874 1.00 0.64 H new ATOM 0 HD2 PRO A 101 8.468 17.951 0.626 1.00 0.48 H new ATOM 0 HD3 PRO A 101 9.949 17.899 -0.310 1.00 0.48 H new ATOM 1594 N LEU A 102 8.699 12.819 0.375 1.00 0.40 N ATOM 1595 CA LEU A 102 7.952 11.700 0.943 1.00 0.36 C ATOM 1596 C LEU A 102 8.748 11.017 2.056 1.00 0.37 C ATOM 1597 O LEU A 102 9.941 10.760 1.901 1.00 0.45 O ATOM 1598 CB LEU A 102 7.616 10.684 -0.152 1.00 0.38 C ATOM 1599 CG LEU A 102 6.827 11.244 -1.338 1.00 0.41 C ATOM 1600 CD1 LEU A 102 6.685 10.193 -2.427 1.00 0.50 C ATOM 1601 CD2 LEU A 102 5.458 11.731 -0.884 1.00 0.45 C ATOM 0 H LEU A 102 8.907 12.724 -0.619 1.00 0.40 H new ATOM 0 HA LEU A 102 7.029 12.091 1.371 1.00 0.36 H new ATOM 0 HB2 LEU A 102 8.546 10.254 -0.525 1.00 0.38 H new ATOM 0 HB3 LEU A 102 7.044 9.870 0.293 1.00 0.38 H new ATOM 0 HG LEU A 102 7.376 12.092 -1.748 1.00 0.41 H new ATOM 0 HD11 LEU A 102 6.121 10.608 -3.262 1.00 0.50 H new ATOM 0 HD12 LEU A 102 7.674 9.890 -2.771 1.00 0.50 H new ATOM 0 HD13 LEU A 102 6.158 9.326 -2.029 1.00 0.50 H new ATOM 0 HD21 LEU A 102 4.910 12.126 -1.740 1.00 0.45 H new ATOM 0 HD22 LEU A 102 4.902 10.900 -0.449 1.00 0.45 H new ATOM 0 HD23 LEU A 102 5.580 12.516 -0.138 1.00 0.45 H new ATOM 1613 N PRO A 103 8.098 10.713 3.199 1.00 0.37 N ATOM 1614 CA PRO A 103 8.761 10.056 4.328 1.00 0.40 C ATOM 1615 C PRO A 103 8.915 8.555 4.115 1.00 0.35 C ATOM 1616 O PRO A 103 8.370 7.993 3.163 1.00 0.30 O ATOM 1617 CB PRO A 103 7.815 10.339 5.493 1.00 0.47 C ATOM 1618 CG PRO A 103 6.466 10.421 4.866 1.00 0.46 C ATOM 1619 CD PRO A 103 6.674 10.990 3.484 1.00 0.42 C ATOM 0 HA PRO A 103 9.776 10.423 4.482 1.00 0.40 H new ATOM 0 HB2 PRO A 103 7.858 9.547 6.241 1.00 0.47 H new ATOM 0 HB3 PRO A 103 8.075 11.269 5.999 1.00 0.47 H new ATOM 0 HG2 PRO A 103 6.001 9.437 4.815 1.00 0.46 H new ATOM 0 HG3 PRO A 103 5.803 11.057 5.452 1.00 0.46 H new ATOM 0 HD2 PRO A 103 6.020 10.515 2.753 1.00 0.42 H new ATOM 0 HD3 PRO A 103 6.461 12.059 3.455 1.00 0.42 H new ATOM 1627 N ASP A 104 9.661 7.910 5.007 1.00 0.40 N ATOM 1628 CA ASP A 104 9.896 6.473 4.918 1.00 0.41 C ATOM 1629 C ASP A 104 8.602 5.689 5.110 1.00 0.41 C ATOM 1630 O ASP A 104 8.535 4.501 4.796 1.00 0.54 O ATOM 1631 CB ASP A 104 10.928 6.039 5.960 1.00 0.52 C ATOM 1632 CG ASP A 104 12.261 6.737 5.779 1.00 1.05 C ATOM 1633 OD1 ASP A 104 13.079 6.256 4.968 1.00 1.57 O ATOM 1634 OD2 ASP A 104 12.489 7.765 6.452 1.00 1.45 O ATOM 0 H ASP A 104 10.114 8.361 5.802 1.00 0.40 H new ATOM 0 HA ASP A 104 10.280 6.258 3.921 1.00 0.41 H new ATOM 0 HB2 ASP A 104 10.543 6.250 6.958 1.00 0.52 H new ATOM 0 HB3 ASP A 104 11.074 4.961 5.896 1.00 0.52 H new ATOM 1639 N GLN A 105 7.579 6.359 5.630 1.00 0.36 N ATOM 1640 CA GLN A 105 6.289 5.720 5.863 1.00 0.39 C ATOM 1641 C GLN A 105 5.411 5.794 4.618 1.00 0.34 C ATOM 1642 O GLN A 105 4.266 5.339 4.626 1.00 0.42 O ATOM 1643 CB GLN A 105 5.573 6.377 7.044 1.00 0.48 C ATOM 1644 CG GLN A 105 6.281 6.175 8.374 1.00 0.67 C ATOM 1645 CD GLN A 105 5.519 6.770 9.543 1.00 0.83 C ATOM 1646 OE1 GLN A 105 4.774 7.840 9.284 1.00 1.41 O flip ATOM 1647 NE2 GLN A 105 5.597 6.272 10.666 1.00 1.65 N flip ATOM 0 H GLN A 105 7.618 7.342 5.898 1.00 0.36 H new ATOM 0 HA GLN A 105 6.471 4.671 6.096 1.00 0.39 H new ATOM 0 HB2 GLN A 105 5.478 7.446 6.851 1.00 0.48 H new ATOM 0 HB3 GLN A 105 4.563 5.974 7.115 1.00 0.48 H new ATOM 0 HG2 GLN A 105 6.425 5.108 8.545 1.00 0.67 H new ATOM 0 HG3 GLN A 105 7.272 6.626 8.325 1.00 0.67 H new ATOM 0 HE21 GLN A 105 6.181 5.450 10.820 1.00 1.65 H new ATOM 0 HE22 GLN A 105 5.077 6.681 11.443 1.00 1.65 H new ATOM 1656 N ALA A 106 5.952 6.370 3.548 1.00 0.31 N ATOM 1657 CA ALA A 106 5.215 6.505 2.298 1.00 0.30 C ATOM 1658 C ALA A 106 5.560 5.377 1.330 1.00 0.31 C ATOM 1659 O ALA A 106 4.755 5.019 0.469 1.00 0.62 O ATOM 1660 CB ALA A 106 5.498 7.856 1.661 1.00 0.31 C ATOM 0 H ALA A 106 6.898 6.750 3.523 1.00 0.31 H new ATOM 0 HA ALA A 106 4.151 6.439 2.525 1.00 0.30 H new ATOM 0 HB1 ALA A 106 4.941 7.942 0.728 1.00 0.31 H new ATOM 0 HB2 ALA A 106 5.192 8.650 2.342 1.00 0.31 H new ATOM 0 HB3 ALA A 106 6.565 7.945 1.456 1.00 0.31 H new ATOM 1666 N PHE A 107 6.759 4.821 1.474 1.00 0.21 N ATOM 1667 CA PHE A 107 7.207 3.734 0.610 1.00 0.19 C ATOM 1668 C PHE A 107 6.973 2.380 1.274 1.00 0.18 C ATOM 1669 O PHE A 107 7.539 2.090 2.329 1.00 0.24 O ATOM 1670 CB PHE A 107 8.690 3.900 0.272 1.00 0.23 C ATOM 1671 CG PHE A 107 9.023 5.229 -0.345 1.00 0.19 C ATOM 1672 CD1 PHE A 107 8.863 5.436 -1.705 1.00 0.22 C ATOM 1673 CD2 PHE A 107 9.496 6.270 0.436 1.00 0.26 C ATOM 1674 CE1 PHE A 107 9.167 6.658 -2.274 1.00 0.22 C ATOM 1675 CE2 PHE A 107 9.803 7.495 -0.127 1.00 0.27 C ATOM 1676 CZ PHE A 107 9.643 7.687 -1.485 1.00 0.21 C ATOM 0 H PHE A 107 7.438 5.105 2.181 1.00 0.21 H new ATOM 0 HA PHE A 107 6.626 3.773 -0.311 1.00 0.19 H new ATOM 0 HB2 PHE A 107 9.277 3.774 1.182 1.00 0.23 H new ATOM 0 HB3 PHE A 107 8.989 3.106 -0.413 1.00 0.23 H new ATOM 0 HD1 PHE A 107 8.497 4.633 -2.328 1.00 0.22 H new ATOM 0 HD2 PHE A 107 9.627 6.123 1.498 1.00 0.26 H new ATOM 0 HE1 PHE A 107 9.033 6.808 -3.335 1.00 0.22 H new ATOM 0 HE2 PHE A 107 10.167 8.300 0.494 1.00 0.27 H new ATOM 0 HZ PHE A 107 9.890 8.640 -1.929 1.00 0.21 H new ATOM 1686 N PHE A 108 6.138 1.554 0.649 1.00 0.16 N ATOM 1687 CA PHE A 108 5.828 0.231 1.183 1.00 0.17 C ATOM 1688 C PHE A 108 6.481 -0.863 0.343 1.00 0.18 C ATOM 1689 O PHE A 108 6.381 -0.859 -0.882 1.00 0.27 O ATOM 1690 CB PHE A 108 4.315 0.020 1.226 1.00 0.17 C ATOM 1691 CG PHE A 108 3.592 1.029 2.073 1.00 0.20 C ATOM 1692 CD1 PHE A 108 3.416 0.815 3.431 1.00 0.26 C ATOM 1693 CD2 PHE A 108 3.086 2.190 1.510 1.00 0.27 C ATOM 1694 CE1 PHE A 108 2.751 1.741 4.212 1.00 0.30 C ATOM 1695 CE2 PHE A 108 2.420 3.119 2.286 1.00 0.32 C ATOM 1696 CZ PHE A 108 2.257 2.900 3.637 1.00 0.32 C ATOM 0 H PHE A 108 5.665 1.777 -0.226 1.00 0.16 H new ATOM 0 HA PHE A 108 6.227 0.173 2.196 1.00 0.17 H new ATOM 0 HB2 PHE A 108 3.922 0.062 0.210 1.00 0.17 H new ATOM 0 HB3 PHE A 108 4.106 -0.979 1.608 1.00 0.17 H new ATOM 0 HD1 PHE A 108 3.803 -0.086 3.884 1.00 0.26 H new ATOM 0 HD2 PHE A 108 3.214 2.370 0.453 1.00 0.27 H new ATOM 0 HE1 PHE A 108 2.617 1.561 5.268 1.00 0.30 H new ATOM 0 HE2 PHE A 108 2.027 4.017 1.834 1.00 0.32 H new ATOM 0 HZ PHE A 108 1.745 3.631 4.246 1.00 0.32 H new ATOM 1706 N VAL A 109 7.148 -1.800 1.010 1.00 0.17 N ATOM 1707 CA VAL A 109 7.810 -2.900 0.320 1.00 0.18 C ATOM 1708 C VAL A 109 6.800 -3.961 -0.103 1.00 0.20 C ATOM 1709 O VAL A 109 6.245 -4.674 0.733 1.00 0.22 O ATOM 1710 CB VAL A 109 8.892 -3.552 1.204 1.00 0.21 C ATOM 1711 CG1 VAL A 109 9.599 -4.668 0.457 1.00 0.23 C ATOM 1712 CG2 VAL A 109 9.893 -2.513 1.674 1.00 0.21 C ATOM 0 H VAL A 109 7.244 -1.819 2.025 1.00 0.17 H new ATOM 0 HA VAL A 109 8.288 -2.481 -0.566 1.00 0.18 H new ATOM 0 HB VAL A 109 8.402 -3.982 2.078 1.00 0.21 H new ATOM 0 HG11 VAL A 109 10.358 -5.113 1.101 1.00 0.23 H new ATOM 0 HG12 VAL A 109 8.874 -5.430 0.170 1.00 0.23 H new ATOM 0 HG13 VAL A 109 10.073 -4.264 -0.437 1.00 0.23 H new ATOM 0 HG21 VAL A 109 10.649 -2.992 2.297 1.00 0.21 H new ATOM 0 HG22 VAL A 109 10.373 -2.053 0.810 1.00 0.21 H new ATOM 0 HG23 VAL A 109 9.378 -1.747 2.254 1.00 0.21 H new ATOM 1722 N LEU A 110 6.568 -4.061 -1.408 1.00 0.24 N ATOM 1723 CA LEU A 110 5.618 -5.027 -1.946 1.00 0.27 C ATOM 1724 C LEU A 110 6.196 -6.440 -1.936 1.00 0.25 C ATOM 1725 O LEU A 110 7.359 -6.649 -2.281 1.00 0.30 O ATOM 1726 CB LEU A 110 5.215 -4.631 -3.369 1.00 0.35 C ATOM 1727 CG LEU A 110 4.203 -5.562 -4.043 1.00 0.48 C ATOM 1728 CD1 LEU A 110 3.219 -4.761 -4.882 1.00 0.89 C ATOM 1729 CD2 LEU A 110 4.917 -6.593 -4.905 1.00 1.01 C ATOM 0 H LEU A 110 7.026 -3.484 -2.113 1.00 0.24 H new ATOM 0 HA LEU A 110 4.734 -5.022 -1.308 1.00 0.27 H new ATOM 0 HB2 LEU A 110 4.798 -3.624 -3.345 1.00 0.35 H new ATOM 0 HB3 LEU A 110 6.113 -4.589 -3.985 1.00 0.35 H new ATOM 0 HG LEU A 110 3.648 -6.087 -3.265 1.00 0.48 H new ATOM 0 HD11 LEU A 110 2.507 -5.438 -5.354 1.00 0.89 H new ATOM 0 HD12 LEU A 110 2.683 -4.059 -4.243 1.00 0.89 H new ATOM 0 HD13 LEU A 110 3.761 -4.211 -5.651 1.00 0.89 H new ATOM 0 HD21 LEU A 110 4.182 -7.246 -5.376 1.00 1.01 H new ATOM 0 HD22 LEU A 110 5.497 -6.084 -5.675 1.00 1.01 H new ATOM 0 HD23 LEU A 110 5.585 -7.188 -4.282 1.00 1.01 H new ATOM 1741 N HIS A 111 5.371 -7.404 -1.536 1.00 0.24 N ATOM 1742 CA HIS A 111 5.788 -8.803 -1.484 1.00 0.26 C ATOM 1743 C HIS A 111 4.758 -9.698 -2.166 1.00 0.25 C ATOM 1744 O HIS A 111 3.553 -9.471 -2.053 1.00 0.26 O ATOM 1745 CB HIS A 111 5.987 -9.247 -0.033 1.00 0.27 C ATOM 1746 CG HIS A 111 7.218 -8.682 0.603 1.00 0.32 C ATOM 1747 ND1 HIS A 111 8.437 -9.329 0.588 1.00 0.55 N ATOM 1748 CD2 HIS A 111 7.417 -7.524 1.277 1.00 0.26 C ATOM 1749 CE1 HIS A 111 9.332 -8.593 1.225 1.00 0.55 C ATOM 1750 NE2 HIS A 111 8.739 -7.493 1.652 1.00 0.36 N ATOM 0 H HIS A 111 4.408 -7.242 -1.242 1.00 0.24 H new ATOM 0 HA HIS A 111 6.735 -8.895 -2.015 1.00 0.26 H new ATOM 0 HB2 HIS A 111 5.117 -8.949 0.552 1.00 0.27 H new ATOM 0 HB3 HIS A 111 6.037 -10.335 0.002 1.00 0.27 H new ATOM 0 HD2 HIS A 111 6.675 -6.766 1.482 1.00 0.26 H new ATOM 0 HE1 HIS A 111 10.371 -8.848 1.371 1.00 0.55 H new ATOM 0 HE2 HIS A 111 9.189 -6.742 2.175 1.00 0.36 H new ATOM 1759 N ASN A 112 5.239 -10.718 -2.873 1.00 0.29 N ATOM 1760 CA ASN A 112 4.356 -11.644 -3.574 1.00 0.30 C ATOM 1761 C ASN A 112 3.738 -12.648 -2.607 1.00 0.29 C ATOM 1762 O ASN A 112 4.421 -13.187 -1.735 1.00 0.44 O ATOM 1763 CB ASN A 112 5.122 -12.383 -4.674 1.00 0.46 C ATOM 1764 CG ASN A 112 6.116 -13.384 -4.116 1.00 1.42 C ATOM 1765 OD1 ASN A 112 5.790 -14.554 -3.919 1.00 2.14 O ATOM 1766 ND2 ASN A 112 7.336 -12.927 -3.857 1.00 2.13 N ATOM 0 H ASN A 112 6.233 -10.923 -2.975 1.00 0.29 H new ATOM 0 HA ASN A 112 3.553 -11.063 -4.028 1.00 0.30 H new ATOM 0 HB2 ASN A 112 4.414 -12.901 -5.321 1.00 0.46 H new ATOM 0 HB3 ASN A 112 5.650 -11.659 -5.295 1.00 0.46 H new ATOM 0 HD21 ASN A 112 8.046 -13.554 -3.479 1.00 2.13 H new ATOM 0 HD22 ASN A 112 7.563 -11.949 -4.036 1.00 2.13 H new ATOM 1773 N MET A 113 2.442 -12.895 -2.770 1.00 0.28 N ATOM 1774 CA MET A 113 1.728 -13.837 -1.913 1.00 0.36 C ATOM 1775 C MET A 113 1.141 -14.978 -2.736 1.00 0.40 C ATOM 1776 O MET A 113 1.466 -16.146 -2.517 1.00 0.46 O ATOM 1777 CB MET A 113 0.616 -13.116 -1.150 1.00 0.43 C ATOM 1778 CG MET A 113 1.108 -11.943 -0.317 1.00 0.47 C ATOM 1779 SD MET A 113 2.283 -12.440 0.958 1.00 0.89 S ATOM 1780 CE MET A 113 1.280 -13.571 1.919 1.00 0.58 C ATOM 0 H MET A 113 1.864 -12.456 -3.487 1.00 0.28 H new ATOM 0 HA MET A 113 2.437 -14.256 -1.199 1.00 0.36 H new ATOM 0 HB2 MET A 113 -0.128 -12.758 -1.862 1.00 0.43 H new ATOM 0 HB3 MET A 113 0.114 -13.829 -0.496 1.00 0.43 H new ATOM 0 HG2 MET A 113 1.578 -11.209 -0.972 1.00 0.47 H new ATOM 0 HG3 MET A 113 0.255 -11.452 0.152 1.00 0.47 H new ATOM 0 HE1 MET A 113 1.723 -13.702 2.906 1.00 0.58 H new ATOM 0 HE2 MET A 113 0.274 -13.166 2.024 1.00 0.58 H new ATOM 0 HE3 MET A 113 1.232 -14.535 1.412 1.00 0.58 H new ATOM 1790 N HIS A 114 0.276 -14.633 -3.685 1.00 0.45 N ATOM 1791 CA HIS A 114 -0.358 -15.627 -4.543 1.00 0.51 C ATOM 1792 C HIS A 114 -0.023 -15.374 -6.012 1.00 0.47 C ATOM 1793 O HIS A 114 0.938 -14.673 -6.328 1.00 0.46 O ATOM 1794 CB HIS A 114 -1.874 -15.617 -4.343 1.00 0.54 C ATOM 1795 CG HIS A 114 -2.304 -16.110 -2.996 1.00 0.67 C ATOM 1796 ND1 HIS A 114 -2.897 -17.339 -2.797 1.00 0.94 N ATOM 1797 CD2 HIS A 114 -2.225 -15.532 -1.773 1.00 1.39 C ATOM 1798 CE1 HIS A 114 -3.167 -17.494 -1.514 1.00 1.40 C ATOM 1799 NE2 HIS A 114 -2.768 -16.413 -0.871 1.00 1.75 N ATOM 0 H HIS A 114 -0.002 -13.671 -3.879 1.00 0.45 H new ATOM 0 HA HIS A 114 0.029 -16.607 -4.265 1.00 0.51 H new ATOM 0 HB2 HIS A 114 -2.244 -14.601 -4.484 1.00 0.54 H new ATOM 0 HB3 HIS A 114 -2.338 -16.235 -5.112 1.00 0.54 H new ATOM 0 HD1 HIS A 114 -3.096 -18.022 -3.528 1.00 0.94 H new ATOM 0 HD2 HIS A 114 -1.812 -14.559 -1.549 1.00 1.39 H new ATOM 0 HE1 HIS A 114 -3.635 -18.359 -1.067 1.00 1.40 H new ATOM 1808 N SER A 115 -0.826 -15.951 -6.902 1.00 0.49 N ATOM 1809 CA SER A 115 -0.621 -15.801 -8.339 1.00 0.54 C ATOM 1810 C SER A 115 -0.593 -14.331 -8.748 1.00 0.50 C ATOM 1811 O SER A 115 0.358 -13.876 -9.383 1.00 0.56 O ATOM 1812 CB SER A 115 -1.725 -16.531 -9.106 1.00 0.59 C ATOM 1813 OG SER A 115 -1.547 -16.399 -10.506 1.00 1.50 O ATOM 0 H SER A 115 -1.628 -16.529 -6.651 1.00 0.49 H new ATOM 0 HA SER A 115 0.346 -16.240 -8.586 1.00 0.54 H new ATOM 0 HB2 SER A 115 -1.724 -17.587 -8.834 1.00 0.59 H new ATOM 0 HB3 SER A 115 -2.697 -16.129 -8.820 1.00 0.59 H new ATOM 0 HG SER A 115 -2.265 -16.876 -10.973 1.00 1.50 H new ATOM 1819 N ASN A 116 -1.637 -13.594 -8.380 1.00 0.45 N ATOM 1820 CA ASN A 116 -1.726 -12.176 -8.721 1.00 0.50 C ATOM 1821 C ASN A 116 -1.977 -11.320 -7.483 1.00 0.44 C ATOM 1822 O ASN A 116 -2.232 -10.121 -7.593 1.00 0.66 O ATOM 1823 CB ASN A 116 -2.838 -11.949 -9.748 1.00 0.61 C ATOM 1824 CG ASN A 116 -4.209 -12.305 -9.208 1.00 1.08 C ATOM 1825 OD1 ASN A 116 -4.348 -13.187 -8.361 1.00 1.93 O ATOM 1826 ND2 ASN A 116 -5.234 -11.617 -9.699 1.00 1.68 N ATOM 0 H ASN A 116 -2.430 -13.952 -7.848 1.00 0.45 H new ATOM 0 HA ASN A 116 -0.771 -11.875 -9.151 1.00 0.50 H new ATOM 0 HB2 ASN A 116 -2.834 -10.904 -10.058 1.00 0.61 H new ATOM 0 HB3 ASN A 116 -2.635 -12.546 -10.637 1.00 0.61 H new ATOM 0 HD21 ASN A 116 -6.181 -11.812 -9.375 1.00 1.68 H new ATOM 0 HD22 ASN A 116 -5.074 -10.894 -10.400 1.00 1.68 H new ATOM 1833 N CYS A 117 -1.904 -11.937 -6.309 1.00 0.32 N ATOM 1834 CA CYS A 117 -2.122 -11.220 -5.058 1.00 0.32 C ATOM 1835 C CYS A 117 -0.795 -10.784 -4.444 1.00 0.28 C ATOM 1836 O CYS A 117 0.197 -11.509 -4.512 1.00 0.34 O ATOM 1837 CB CYS A 117 -2.894 -12.094 -4.069 1.00 0.43 C ATOM 1838 SG CYS A 117 -4.490 -12.677 -4.688 1.00 0.97 S ATOM 0 H CYS A 117 -1.696 -12.929 -6.197 1.00 0.32 H new ATOM 0 HA CYS A 117 -2.711 -10.329 -5.277 1.00 0.32 H new ATOM 0 HB2 CYS A 117 -2.281 -12.956 -3.807 1.00 0.43 H new ATOM 0 HB3 CYS A 117 -3.057 -11.529 -3.151 1.00 0.43 H new ATOM 0 HG CYS A 117 -5.026 -13.480 -3.817 1.00 0.97 H new ATOM 1844 N VAL A 118 -0.785 -9.597 -3.844 1.00 0.25 N ATOM 1845 CA VAL A 118 0.426 -9.067 -3.223 1.00 0.27 C ATOM 1846 C VAL A 118 0.126 -8.417 -1.877 1.00 0.24 C ATOM 1847 O VAL A 118 -1.033 -8.246 -1.501 1.00 0.28 O ATOM 1848 CB VAL A 118 1.119 -8.037 -4.134 1.00 0.37 C ATOM 1849 CG1 VAL A 118 1.675 -8.711 -5.379 1.00 0.46 C ATOM 1850 CG2 VAL A 118 0.153 -6.923 -4.506 1.00 0.41 C ATOM 0 H VAL A 118 -1.598 -8.985 -3.774 1.00 0.25 H new ATOM 0 HA VAL A 118 1.093 -9.915 -3.068 1.00 0.27 H new ATOM 0 HB VAL A 118 1.953 -7.597 -3.587 1.00 0.37 H new ATOM 0 HG11 VAL A 118 2.161 -7.966 -6.010 1.00 0.46 H new ATOM 0 HG12 VAL A 118 2.401 -9.470 -5.088 1.00 0.46 H new ATOM 0 HG13 VAL A 118 0.862 -9.181 -5.932 1.00 0.46 H new ATOM 0 HG21 VAL A 118 0.658 -6.203 -5.150 1.00 0.41 H new ATOM 0 HG22 VAL A 118 -0.702 -7.344 -5.034 1.00 0.41 H new ATOM 0 HG23 VAL A 118 -0.190 -6.422 -3.601 1.00 0.41 H new ATOM 1860 N SER A 119 1.184 -8.054 -1.156 1.00 0.24 N ATOM 1861 CA SER A 119 1.041 -7.420 0.150 1.00 0.23 C ATOM 1862 C SER A 119 1.922 -6.179 0.250 1.00 0.21 C ATOM 1863 O SER A 119 2.984 -6.108 -0.371 1.00 0.30 O ATOM 1864 CB SER A 119 1.402 -8.408 1.262 1.00 0.29 C ATOM 1865 OG SER A 119 2.751 -8.827 1.153 1.00 1.09 O ATOM 0 H SER A 119 2.150 -8.189 -1.455 1.00 0.24 H new ATOM 0 HA SER A 119 0.001 -7.116 0.268 1.00 0.23 H new ATOM 0 HB2 SER A 119 1.240 -7.942 2.234 1.00 0.29 H new ATOM 0 HB3 SER A 119 0.743 -9.275 1.211 1.00 0.29 H new ATOM 0 HG SER A 119 2.786 -9.804 1.092 1.00 1.09 H new ATOM 1871 N PHE A 120 1.475 -5.205 1.039 1.00 0.20 N ATOM 1872 CA PHE A 120 2.220 -3.962 1.220 1.00 0.18 C ATOM 1873 C PHE A 120 2.868 -3.907 2.600 1.00 0.18 C ATOM 1874 O PHE A 120 2.231 -3.521 3.580 1.00 0.27 O ATOM 1875 CB PHE A 120 1.292 -2.759 1.033 1.00 0.21 C ATOM 1876 CG PHE A 120 0.598 -2.738 -0.298 1.00 0.24 C ATOM 1877 CD1 PHE A 120 1.190 -2.131 -1.393 1.00 0.40 C ATOM 1878 CD2 PHE A 120 -0.648 -3.324 -0.455 1.00 0.28 C ATOM 1879 CE1 PHE A 120 0.554 -2.109 -2.620 1.00 0.45 C ATOM 1880 CE2 PHE A 120 -1.290 -3.306 -1.678 1.00 0.32 C ATOM 1881 CZ PHE A 120 -0.688 -2.699 -2.763 1.00 0.35 C ATOM 0 H PHE A 120 0.601 -5.252 1.563 1.00 0.20 H new ATOM 0 HA PHE A 120 3.009 -3.929 0.469 1.00 0.18 H new ATOM 0 HB2 PHE A 120 0.542 -2.762 1.824 1.00 0.21 H new ATOM 0 HB3 PHE A 120 1.871 -1.843 1.146 1.00 0.21 H new ATOM 0 HD1 PHE A 120 2.160 -1.669 -1.287 1.00 0.40 H new ATOM 0 HD2 PHE A 120 -1.123 -3.801 0.390 1.00 0.28 H new ATOM 0 HE1 PHE A 120 1.027 -1.632 -3.466 1.00 0.45 H new ATOM 0 HE2 PHE A 120 -2.261 -3.766 -1.786 1.00 0.32 H new ATOM 0 HZ PHE A 120 -1.187 -2.685 -3.721 1.00 0.35 H new ATOM 1891 N GLU A 121 4.138 -4.294 2.668 1.00 0.19 N ATOM 1892 CA GLU A 121 4.875 -4.291 3.929 1.00 0.19 C ATOM 1893 C GLU A 121 5.415 -2.899 4.244 1.00 0.19 C ATOM 1894 O GLU A 121 5.754 -2.136 3.339 1.00 0.19 O ATOM 1895 CB GLU A 121 6.029 -5.293 3.873 1.00 0.23 C ATOM 1896 CG GLU A 121 6.755 -5.460 5.198 1.00 0.29 C ATOM 1897 CD GLU A 121 7.855 -6.502 5.134 1.00 0.33 C ATOM 1898 OE1 GLU A 121 8.973 -6.157 4.697 1.00 0.35 O ATOM 1899 OE2 GLU A 121 7.600 -7.661 5.523 1.00 0.45 O ATOM 0 H GLU A 121 4.679 -4.614 1.865 1.00 0.19 H new ATOM 0 HA GLU A 121 4.185 -4.582 4.721 1.00 0.19 H new ATOM 0 HB2 GLU A 121 5.643 -6.262 3.555 1.00 0.23 H new ATOM 0 HB3 GLU A 121 6.743 -4.970 3.115 1.00 0.23 H new ATOM 0 HG2 GLU A 121 7.183 -4.503 5.496 1.00 0.29 H new ATOM 0 HG3 GLU A 121 6.037 -5.742 5.968 1.00 0.29 H new ATOM 1906 N CYS A 122 5.492 -2.575 5.533 1.00 0.22 N ATOM 1907 CA CYS A 122 5.998 -1.275 5.964 1.00 0.24 C ATOM 1908 C CYS A 122 7.524 -1.261 5.973 1.00 0.27 C ATOM 1909 O CYS A 122 8.162 -2.176 6.493 1.00 0.26 O ATOM 1910 CB CYS A 122 5.464 -0.934 7.355 1.00 0.27 C ATOM 1911 SG CYS A 122 3.663 -0.808 7.445 1.00 0.31 S ATOM 0 H CYS A 122 5.211 -3.193 6.294 1.00 0.22 H new ATOM 0 HA CYS A 122 5.651 -0.523 5.255 1.00 0.24 H new ATOM 0 HB2 CYS A 122 5.800 -1.696 8.058 1.00 0.27 H new ATOM 0 HB3 CYS A 122 5.900 0.011 7.678 1.00 0.27 H new ATOM 0 HG CYS A 122 3.320 -0.315 8.598 1.00 0.31 H new ATOM 1917 N LYS A 123 8.101 -0.209 5.397 1.00 0.34 N ATOM 1918 CA LYS A 123 9.552 -0.069 5.328 1.00 0.41 C ATOM 1919 C LYS A 123 10.143 0.274 6.693 1.00 0.43 C ATOM 1920 O LYS A 123 11.268 -0.115 7.006 1.00 0.48 O ATOM 1921 CB LYS A 123 9.931 1.010 4.309 1.00 0.48 C ATOM 1922 CG LYS A 123 11.431 1.211 4.163 1.00 0.65 C ATOM 1923 CD LYS A 123 11.751 2.259 3.107 1.00 0.67 C ATOM 1924 CE LYS A 123 13.249 2.489 2.989 1.00 0.69 C ATOM 1925 NZ LYS A 123 13.833 3.014 4.254 1.00 1.39 N ATOM 0 H LYS A 123 7.584 0.560 4.971 1.00 0.34 H new ATOM 0 HA LYS A 123 9.965 -1.026 5.011 1.00 0.41 H new ATOM 0 HB2 LYS A 123 9.513 0.744 3.338 1.00 0.48 H new ATOM 0 HB3 LYS A 123 9.474 1.954 4.605 1.00 0.48 H new ATOM 0 HG2 LYS A 123 11.854 1.516 5.120 1.00 0.65 H new ATOM 0 HG3 LYS A 123 11.902 0.265 3.894 1.00 0.65 H new ATOM 0 HD2 LYS A 123 11.353 1.940 2.144 1.00 0.67 H new ATOM 0 HD3 LYS A 123 11.256 3.196 3.361 1.00 0.67 H new ATOM 0 HE2 LYS A 123 13.740 1.553 2.724 1.00 0.69 H new ATOM 0 HE3 LYS A 123 13.445 3.192 2.180 1.00 0.69 H new ATOM 0 HZ1 LYS A 123 14.790 3.378 4.070 1.00 1.39 H new ATOM 0 HZ2 LYS A 123 13.235 3.782 4.620 1.00 1.39 H new ATOM 0 HZ3 LYS A 123 13.883 2.249 4.957 1.00 1.39 H new ATOM 1939 N THR A 124 9.381 1.005 7.500 1.00 0.43 N ATOM 1940 CA THR A 124 9.836 1.395 8.829 1.00 0.49 C ATOM 1941 C THR A 124 9.626 0.264 9.830 1.00 0.44 C ATOM 1942 O THR A 124 10.304 0.198 10.857 1.00 0.50 O ATOM 1943 CB THR A 124 9.103 2.654 9.329 1.00 0.59 C ATOM 1944 OG1 THR A 124 7.691 2.415 9.378 1.00 1.19 O ATOM 1945 CG2 THR A 124 9.390 3.841 8.421 1.00 0.88 C ATOM 0 H THR A 124 8.448 1.338 7.258 1.00 0.43 H new ATOM 0 HA THR A 124 10.900 1.616 8.749 1.00 0.49 H new ATOM 0 HB THR A 124 9.465 2.885 10.331 1.00 0.59 H new ATOM 0 HG1 THR A 124 7.477 1.879 10.170 1.00 1.19 H new ATOM 0 HG21 THR A 124 8.862 4.719 8.793 1.00 0.88 H new ATOM 0 HG22 THR A 124 10.462 4.039 8.409 1.00 0.88 H new ATOM 0 HG23 THR A 124 9.052 3.616 7.410 1.00 0.88 H new ATOM 1953 N ASP A 125 8.686 -0.623 9.524 1.00 0.39 N ATOM 1954 CA ASP A 125 8.390 -1.758 10.389 1.00 0.42 C ATOM 1955 C ASP A 125 8.274 -3.044 9.573 1.00 0.35 C ATOM 1956 O ASP A 125 7.207 -3.354 9.046 1.00 0.36 O ATOM 1957 CB ASP A 125 7.094 -1.516 11.167 1.00 0.52 C ATOM 1958 CG ASP A 125 7.169 -0.283 12.048 1.00 0.64 C ATOM 1959 OD1 ASP A 125 7.754 -0.374 13.148 1.00 0.78 O ATOM 1960 OD2 ASP A 125 6.640 0.772 11.640 1.00 0.65 O ATOM 0 H ASP A 125 8.114 -0.577 8.680 1.00 0.39 H new ATOM 0 HA ASP A 125 9.212 -1.866 11.097 1.00 0.42 H new ATOM 0 HB2 ASP A 125 6.267 -1.408 10.465 1.00 0.52 H new ATOM 0 HB3 ASP A 125 6.876 -2.387 11.784 1.00 0.52 H new ATOM 1965 N PRO A 126 9.375 -3.808 9.441 1.00 0.43 N ATOM 1966 CA PRO A 126 9.371 -5.063 8.685 1.00 0.46 C ATOM 1967 C PRO A 126 8.523 -6.135 9.360 1.00 0.45 C ATOM 1968 O PRO A 126 8.603 -6.327 10.574 1.00 0.56 O ATOM 1969 CB PRO A 126 10.848 -5.488 8.663 1.00 0.62 C ATOM 1970 CG PRO A 126 11.616 -4.281 9.092 1.00 0.89 C ATOM 1971 CD PRO A 126 10.702 -3.511 9.998 1.00 0.60 C ATOM 0 HA PRO A 126 8.942 -4.933 7.691 1.00 0.46 H new ATOM 0 HB2 PRO A 126 11.025 -6.326 9.337 1.00 0.62 H new ATOM 0 HB3 PRO A 126 11.149 -5.811 7.666 1.00 0.62 H new ATOM 0 HG2 PRO A 126 12.532 -4.565 9.611 1.00 0.89 H new ATOM 0 HG3 PRO A 126 11.910 -3.680 8.232 1.00 0.89 H new ATOM 0 HD2 PRO A 126 10.789 -3.837 11.034 1.00 0.60 H new ATOM 0 HD3 PRO A 126 10.919 -2.443 9.981 1.00 0.60 H new ATOM 1979 N GLY A 127 7.711 -6.828 8.568 1.00 0.40 N ATOM 1980 CA GLY A 127 6.865 -7.878 9.108 1.00 0.43 C ATOM 1981 C GLY A 127 5.388 -7.529 9.078 1.00 0.44 C ATOM 1982 O GLY A 127 4.540 -8.419 9.045 1.00 0.65 O ATOM 0 H GLY A 127 7.623 -6.682 7.562 1.00 0.40 H new ATOM 0 HA2 GLY A 127 7.027 -8.794 8.540 1.00 0.43 H new ATOM 0 HA3 GLY A 127 7.163 -8.083 10.136 1.00 0.43 H new ATOM 1986 N VAL A 128 5.075 -6.236 9.091 1.00 0.28 N ATOM 1987 CA VAL A 128 3.685 -5.793 9.065 1.00 0.32 C ATOM 1988 C VAL A 128 3.270 -5.363 7.661 1.00 0.21 C ATOM 1989 O VAL A 128 4.036 -4.715 6.947 1.00 0.16 O ATOM 1990 CB VAL A 128 3.436 -4.630 10.049 1.00 0.42 C ATOM 1991 CG1 VAL A 128 4.313 -3.438 9.713 1.00 0.93 C ATOM 1992 CG2 VAL A 128 1.966 -4.237 10.051 1.00 1.27 C ATOM 0 H VAL A 128 5.761 -5.481 9.119 1.00 0.28 H new ATOM 0 HA VAL A 128 3.080 -6.645 9.374 1.00 0.32 H new ATOM 0 HB VAL A 128 3.701 -4.969 11.050 1.00 0.42 H new ATOM 0 HG11 VAL A 128 4.119 -2.632 10.421 1.00 0.93 H new ATOM 0 HG12 VAL A 128 5.362 -3.729 9.774 1.00 0.93 H new ATOM 0 HG13 VAL A 128 4.090 -3.095 8.703 1.00 0.93 H new ATOM 0 HG21 VAL A 128 1.810 -3.416 10.751 1.00 1.27 H new ATOM 0 HG22 VAL A 128 1.672 -3.922 9.050 1.00 1.27 H new ATOM 0 HG23 VAL A 128 1.361 -5.092 10.354 1.00 1.27 H new ATOM 2002 N PHE A 129 2.052 -5.732 7.273 1.00 0.23 N ATOM 2003 CA PHE A 129 1.532 -5.392 5.955 1.00 0.19 C ATOM 2004 C PHE A 129 0.139 -4.780 6.060 1.00 0.16 C ATOM 2005 O PHE A 129 -0.584 -5.019 7.029 1.00 0.18 O ATOM 2006 CB PHE A 129 1.466 -6.635 5.064 1.00 0.29 C ATOM 2007 CG PHE A 129 2.483 -7.690 5.399 1.00 0.26 C ATOM 2008 CD1 PHE A 129 2.204 -8.667 6.339 1.00 0.49 C ATOM 2009 CD2 PHE A 129 3.723 -7.696 4.778 1.00 0.30 C ATOM 2010 CE1 PHE A 129 3.141 -9.633 6.654 1.00 0.58 C ATOM 2011 CE2 PHE A 129 4.663 -8.658 5.089 1.00 0.38 C ATOM 2012 CZ PHE A 129 4.357 -9.648 6.013 1.00 0.46 C ATOM 0 H PHE A 129 1.407 -6.267 7.855 1.00 0.23 H new ATOM 0 HA PHE A 129 2.211 -4.663 5.512 1.00 0.19 H new ATOM 0 HB2 PHE A 129 0.470 -7.070 5.140 1.00 0.29 H new ATOM 0 HB3 PHE A 129 1.603 -6.332 4.026 1.00 0.29 H new ATOM 0 HD1 PHE A 129 1.243 -8.675 6.832 1.00 0.49 H new ATOM 0 HD2 PHE A 129 3.956 -6.940 4.043 1.00 0.30 H new ATOM 0 HE1 PHE A 129 2.918 -10.377 7.405 1.00 0.58 H new ATOM 0 HE2 PHE A 129 5.633 -8.641 4.615 1.00 0.38 H new ATOM 0 HZ PHE A 129 5.073 -10.428 6.228 1.00 0.46 H new ATOM 2022 N ILE A 130 -0.233 -3.990 5.057 1.00 0.16 N ATOM 2023 CA ILE A 130 -1.548 -3.365 5.029 1.00 0.16 C ATOM 2024 C ILE A 130 -2.620 -4.423 4.803 1.00 0.18 C ATOM 2025 O ILE A 130 -2.401 -5.380 4.059 1.00 0.26 O ATOM 2026 CB ILE A 130 -1.647 -2.303 3.914 1.00 0.19 C ATOM 2027 CG1 ILE A 130 -0.493 -1.301 4.021 1.00 0.21 C ATOM 2028 CG2 ILE A 130 -2.989 -1.586 3.987 1.00 0.25 C ATOM 2029 CD1 ILE A 130 -0.463 -0.285 2.896 1.00 0.25 C ATOM 0 H ILE A 130 0.357 -3.769 4.255 1.00 0.16 H new ATOM 0 HA ILE A 130 -1.700 -2.874 5.990 1.00 0.16 H new ATOM 0 HB ILE A 130 -1.574 -2.804 2.949 1.00 0.19 H new ATOM 0 HG12 ILE A 130 -0.567 -0.775 4.973 1.00 0.21 H new ATOM 0 HG13 ILE A 130 0.451 -1.847 4.032 1.00 0.21 H new ATOM 0 HG21 ILE A 130 -3.046 -0.839 3.195 1.00 0.25 H new ATOM 0 HG22 ILE A 130 -3.795 -2.309 3.863 1.00 0.25 H new ATOM 0 HG23 ILE A 130 -3.087 -1.096 4.956 1.00 0.25 H new ATOM 0 HD11 ILE A 130 0.380 0.391 3.038 1.00 0.25 H new ATOM 0 HD12 ILE A 130 -0.357 -0.801 1.942 1.00 0.25 H new ATOM 0 HD13 ILE A 130 -1.391 0.287 2.898 1.00 0.25 H new ATOM 2041 N GLY A 131 -3.772 -4.262 5.446 1.00 0.19 N ATOM 2042 CA GLY A 131 -4.839 -5.231 5.280 1.00 0.20 C ATOM 2043 C GLY A 131 -6.148 -4.790 5.899 1.00 0.16 C ATOM 2044 O GLY A 131 -6.167 -3.982 6.828 1.00 0.19 O ATOM 0 H GLY A 131 -3.985 -3.486 6.073 1.00 0.19 H new ATOM 0 HA2 GLY A 131 -4.991 -5.415 4.217 1.00 0.20 H new ATOM 0 HA3 GLY A 131 -4.534 -6.177 5.727 1.00 0.20 H new ATOM 2048 N VAL A 132 -7.245 -5.332 5.383 1.00 0.18 N ATOM 2049 CA VAL A 132 -8.575 -5.006 5.878 1.00 0.16 C ATOM 2050 C VAL A 132 -8.831 -5.665 7.229 1.00 0.17 C ATOM 2051 O VAL A 132 -9.001 -6.881 7.316 1.00 0.22 O ATOM 2052 CB VAL A 132 -9.656 -5.458 4.879 1.00 0.17 C ATOM 2053 CG1 VAL A 132 -11.048 -5.167 5.417 1.00 0.18 C ATOM 2054 CG2 VAL A 132 -9.444 -4.784 3.534 1.00 0.22 C ATOM 0 H VAL A 132 -7.237 -6.004 4.616 1.00 0.18 H new ATOM 0 HA VAL A 132 -8.625 -3.923 5.995 1.00 0.16 H new ATOM 0 HB VAL A 132 -9.570 -6.536 4.743 1.00 0.17 H new ATOM 0 HG11 VAL A 132 -11.794 -5.495 4.693 1.00 0.18 H new ATOM 0 HG12 VAL A 132 -11.194 -5.701 6.356 1.00 0.18 H new ATOM 0 HG13 VAL A 132 -11.155 -4.096 5.588 1.00 0.18 H new ATOM 0 HG21 VAL A 132 -10.215 -5.112 2.837 1.00 0.22 H new ATOM 0 HG22 VAL A 132 -9.502 -3.702 3.656 1.00 0.22 H new ATOM 0 HG23 VAL A 132 -8.463 -5.053 3.143 1.00 0.22 H new ATOM 2064 N LYS A 133 -8.859 -4.852 8.280 1.00 0.17 N ATOM 2065 CA LYS A 133 -9.093 -5.355 9.629 1.00 0.21 C ATOM 2066 C LYS A 133 -10.558 -5.736 9.821 1.00 0.22 C ATOM 2067 O LYS A 133 -10.956 -6.866 9.538 1.00 0.24 O ATOM 2068 CB LYS A 133 -8.675 -4.309 10.667 1.00 0.29 C ATOM 2069 CG LYS A 133 -8.770 -4.799 12.103 1.00 0.35 C ATOM 2070 CD LYS A 133 -7.698 -5.829 12.414 1.00 1.17 C ATOM 2071 CE LYS A 133 -7.801 -6.323 13.843 1.00 1.20 C ATOM 2072 NZ LYS A 133 -6.862 -7.448 14.113 1.00 2.26 N ATOM 0 H LYS A 133 -8.723 -3.843 8.224 1.00 0.17 H new ATOM 0 HA LYS A 133 -8.487 -6.250 9.769 1.00 0.21 H new ATOM 0 HB2 LYS A 133 -7.649 -4.000 10.465 1.00 0.29 H new ATOM 0 HB3 LYS A 133 -9.303 -3.425 10.552 1.00 0.29 H new ATOM 0 HG2 LYS A 133 -8.672 -3.954 12.784 1.00 0.35 H new ATOM 0 HG3 LYS A 133 -9.754 -5.234 12.275 1.00 0.35 H new ATOM 0 HD2 LYS A 133 -7.792 -6.672 11.729 1.00 1.17 H new ATOM 0 HD3 LYS A 133 -6.713 -5.392 12.249 1.00 1.17 H new ATOM 0 HE2 LYS A 133 -7.589 -5.501 14.527 1.00 1.20 H new ATOM 0 HE3 LYS A 133 -8.822 -6.647 14.042 1.00 1.20 H new ATOM 0 HZ1 LYS A 133 -6.964 -7.756 15.101 1.00 2.26 H new ATOM 0 HZ2 LYS A 133 -7.080 -8.242 13.478 1.00 2.26 H new ATOM 0 HZ3 LYS A 133 -5.885 -7.132 13.948 1.00 2.26 H new ATOM 2086 N ASP A 134 -11.358 -4.790 10.306 1.00 0.26 N ATOM 2087 CA ASP A 134 -12.779 -5.032 10.533 1.00 0.31 C ATOM 2088 C ASP A 134 -13.586 -4.716 9.278 1.00 0.28 C ATOM 2089 O ASP A 134 -14.396 -5.526 8.827 1.00 0.30 O ATOM 2090 CB ASP A 134 -13.281 -4.189 11.706 1.00 0.39 C ATOM 2091 CG ASP A 134 -12.467 -4.410 12.966 1.00 1.40 C ATOM 2092 OD1 ASP A 134 -12.769 -5.368 13.708 1.00 1.76 O ATOM 2093 OD2 ASP A 134 -11.527 -3.625 13.211 1.00 2.23 O ATOM 0 H ASP A 134 -11.046 -3.850 10.549 1.00 0.26 H new ATOM 0 HA ASP A 134 -12.912 -6.087 10.774 1.00 0.31 H new ATOM 0 HB2 ASP A 134 -13.245 -3.134 11.434 1.00 0.39 H new ATOM 0 HB3 ASP A 134 -14.325 -4.432 11.904 1.00 0.39 H new ATOM 2098 N ASN A 135 -13.356 -3.531 8.723 1.00 0.27 N ATOM 2099 CA ASN A 135 -14.055 -3.096 7.520 1.00 0.27 C ATOM 2100 C ASN A 135 -13.278 -1.986 6.817 1.00 0.23 C ATOM 2101 O ASN A 135 -13.785 -1.343 5.898 1.00 0.26 O ATOM 2102 CB ASN A 135 -15.465 -2.612 7.872 1.00 0.35 C ATOM 2103 CG ASN A 135 -15.465 -1.560 8.965 1.00 1.25 C ATOM 2104 OD1 ASN A 135 -14.526 -0.776 9.093 1.00 2.08 O ATOM 2105 ND2 ASN A 135 -16.526 -1.541 9.765 1.00 1.98 N ATOM 0 H ASN A 135 -12.688 -2.852 9.089 1.00 0.27 H new ATOM 0 HA ASN A 135 -14.133 -3.946 6.842 1.00 0.27 H new ATOM 0 HB2 ASN A 135 -15.938 -2.203 6.979 1.00 0.35 H new ATOM 0 HB3 ASN A 135 -16.068 -3.462 8.191 1.00 0.35 H new ATOM 0 HD21 ASN A 135 -16.583 -0.858 10.520 1.00 1.98 H new ATOM 0 HD22 ASN A 135 -17.283 -2.210 9.624 1.00 1.98 H new ATOM 2112 N HIS A 136 -12.039 -1.774 7.256 1.00 0.19 N ATOM 2113 CA HIS A 136 -11.184 -0.742 6.680 1.00 0.21 C ATOM 2114 C HIS A 136 -9.727 -1.198 6.654 1.00 0.19 C ATOM 2115 O HIS A 136 -9.406 -2.297 7.109 1.00 0.17 O ATOM 2116 CB HIS A 136 -11.309 0.558 7.478 1.00 0.28 C ATOM 2117 CG HIS A 136 -10.850 0.436 8.899 1.00 0.35 C ATOM 2118 ND1 HIS A 136 -9.645 0.937 9.347 1.00 1.34 N ATOM 2119 CD2 HIS A 136 -11.444 -0.130 9.976 1.00 0.89 C ATOM 2120 CE1 HIS A 136 -9.518 0.683 10.636 1.00 1.15 C ATOM 2121 NE2 HIS A 136 -10.595 0.038 11.043 1.00 0.49 N ATOM 0 H HIS A 136 -11.605 -2.306 8.011 1.00 0.19 H new ATOM 0 HA HIS A 136 -11.510 -0.563 5.655 1.00 0.21 H new ATOM 0 HB2 HIS A 136 -10.728 1.336 6.983 1.00 0.28 H new ATOM 0 HB3 HIS A 136 -12.350 0.882 7.468 1.00 0.28 H new ATOM 0 HD1 HIS A 136 -8.960 1.427 8.772 1.00 1.34 H new ATOM 0 HD2 HIS A 136 -12.405 -0.622 9.993 1.00 0.89 H new ATOM 0 HE1 HIS A 136 -8.675 0.957 11.253 1.00 1.15 H new ATOM 2130 N LEU A 137 -8.853 -0.345 6.132 1.00 0.21 N ATOM 2131 CA LEU A 137 -7.431 -0.664 6.046 1.00 0.22 C ATOM 2132 C LEU A 137 -6.757 -0.519 7.406 1.00 0.25 C ATOM 2133 O LEU A 137 -7.097 0.367 8.189 1.00 0.38 O ATOM 2134 CB LEU A 137 -6.741 0.242 5.024 1.00 0.27 C ATOM 2135 CG LEU A 137 -7.165 0.026 3.569 1.00 0.27 C ATOM 2136 CD1 LEU A 137 -6.505 1.055 2.664 1.00 0.32 C ATOM 2137 CD2 LEU A 137 -6.816 -1.386 3.119 1.00 0.27 C ATOM 0 H LEU A 137 -9.103 0.572 5.762 1.00 0.21 H new ATOM 0 HA LEU A 137 -7.338 -1.701 5.722 1.00 0.22 H new ATOM 0 HB2 LEU A 137 -6.937 1.280 5.292 1.00 0.27 H new ATOM 0 HB3 LEU A 137 -5.664 0.091 5.098 1.00 0.27 H new ATOM 0 HG LEU A 137 -8.245 0.152 3.500 1.00 0.27 H new ATOM 0 HD11 LEU A 137 -6.817 0.887 1.633 1.00 0.32 H new ATOM 0 HD12 LEU A 137 -6.802 2.057 2.974 1.00 0.32 H new ATOM 0 HD13 LEU A 137 -5.421 0.960 2.735 1.00 0.32 H new ATOM 0 HD21 LEU A 137 -7.124 -1.524 2.082 1.00 0.27 H new ATOM 0 HD22 LEU A 137 -5.740 -1.539 3.201 1.00 0.27 H new ATOM 0 HD23 LEU A 137 -7.334 -2.108 3.750 1.00 0.27 H new ATOM 2149 N ALA A 138 -5.796 -1.398 7.675 1.00 0.20 N ATOM 2150 CA ALA A 138 -5.069 -1.375 8.937 1.00 0.21 C ATOM 2151 C ALA A 138 -3.751 -2.134 8.823 1.00 0.22 C ATOM 2152 O ALA A 138 -3.614 -3.039 7.999 1.00 0.30 O ATOM 2153 CB ALA A 138 -5.925 -1.968 10.047 1.00 0.20 C ATOM 0 H ALA A 138 -5.503 -2.135 7.034 1.00 0.20 H new ATOM 0 HA ALA A 138 -4.842 -0.337 9.180 1.00 0.21 H new ATOM 0 HB1 ALA A 138 -5.371 -1.945 10.985 1.00 0.20 H new ATOM 0 HB2 ALA A 138 -6.840 -1.385 10.152 1.00 0.20 H new ATOM 0 HB3 ALA A 138 -6.178 -2.999 9.800 1.00 0.20 H new ATOM 2159 N LEU A 139 -2.785 -1.750 9.649 1.00 0.19 N ATOM 2160 CA LEU A 139 -1.476 -2.393 9.652 1.00 0.21 C ATOM 2161 C LEU A 139 -1.553 -3.767 10.307 1.00 0.22 C ATOM 2162 O LEU A 139 -1.411 -3.894 11.523 1.00 0.28 O ATOM 2163 CB LEU A 139 -0.454 -1.522 10.390 1.00 0.23 C ATOM 2164 CG LEU A 139 -0.246 -0.121 9.811 1.00 0.30 C ATOM 2165 CD1 LEU A 139 0.695 0.685 10.695 1.00 0.62 C ATOM 2166 CD2 LEU A 139 0.298 -0.203 8.392 1.00 0.82 C ATOM 0 H LEU A 139 -2.884 -0.995 10.327 1.00 0.19 H new ATOM 0 HA LEU A 139 -1.156 -2.516 8.617 1.00 0.21 H new ATOM 0 HB2 LEU A 139 -0.768 -1.424 11.429 1.00 0.23 H new ATOM 0 HB3 LEU A 139 0.505 -2.041 10.394 1.00 0.23 H new ATOM 0 HG LEU A 139 -1.211 0.385 9.780 1.00 0.30 H new ATOM 0 HD11 LEU A 139 0.832 1.679 10.269 1.00 0.62 H new ATOM 0 HD12 LEU A 139 0.269 0.774 11.694 1.00 0.62 H new ATOM 0 HD13 LEU A 139 1.659 0.180 10.756 1.00 0.62 H new ATOM 0 HD21 LEU A 139 0.439 0.803 7.998 1.00 0.82 H new ATOM 0 HD22 LEU A 139 1.253 -0.728 8.398 1.00 0.82 H new ATOM 0 HD23 LEU A 139 -0.408 -0.744 7.762 1.00 0.82 H new ATOM 2178 N ILE A 140 -1.783 -4.793 9.493 1.00 0.18 N ATOM 2179 CA ILE A 140 -1.884 -6.157 9.996 1.00 0.19 C ATOM 2180 C ILE A 140 -0.547 -6.880 9.873 1.00 0.25 C ATOM 2181 O ILE A 140 -0.078 -7.156 8.769 1.00 0.31 O ATOM 2182 CB ILE A 140 -2.962 -6.955 9.239 1.00 0.19 C ATOM 2183 CG1 ILE A 140 -4.267 -6.156 9.175 1.00 0.33 C ATOM 2184 CG2 ILE A 140 -3.191 -8.304 9.907 1.00 0.21 C ATOM 2185 CD1 ILE A 140 -5.371 -6.848 8.404 1.00 0.44 C ATOM 0 H ILE A 140 -1.903 -4.705 8.484 1.00 0.18 H new ATOM 0 HA ILE A 140 -2.166 -6.093 11.047 1.00 0.19 H new ATOM 0 HB ILE A 140 -2.615 -7.131 8.221 1.00 0.19 H new ATOM 0 HG12 ILE A 140 -4.613 -5.961 10.190 1.00 0.33 H new ATOM 0 HG13 ILE A 140 -4.067 -5.188 8.715 1.00 0.33 H new ATOM 0 HG21 ILE A 140 -3.956 -8.856 9.360 1.00 0.21 H new ATOM 0 HG22 ILE A 140 -2.262 -8.873 9.905 1.00 0.21 H new ATOM 0 HG23 ILE A 140 -3.520 -8.150 10.935 1.00 0.21 H new ATOM 0 HD11 ILE A 140 -6.262 -6.221 8.403 1.00 0.44 H new ATOM 0 HD12 ILE A 140 -5.046 -7.019 7.378 1.00 0.44 H new ATOM 0 HD13 ILE A 140 -5.600 -7.804 8.876 1.00 0.44 H new ATOM 2197 N LYS A 141 0.061 -7.186 11.015 1.00 0.35 N ATOM 2198 CA LYS A 141 1.346 -7.874 11.034 1.00 0.44 C ATOM 2199 C LYS A 141 1.157 -9.378 11.179 1.00 0.32 C ATOM 2200 O LYS A 141 0.774 -9.868 12.243 1.00 0.50 O ATOM 2201 CB LYS A 141 2.223 -7.344 12.171 1.00 0.70 C ATOM 2202 CG LYS A 141 3.636 -7.903 12.153 1.00 0.79 C ATOM 2203 CD LYS A 141 4.451 -7.419 13.343 1.00 0.98 C ATOM 2204 CE LYS A 141 4.657 -5.914 13.312 1.00 1.45 C ATOM 2205 NZ LYS A 141 5.459 -5.439 14.472 1.00 2.04 N ATOM 0 H LYS A 141 -0.315 -6.968 11.938 1.00 0.35 H new ATOM 0 HA LYS A 141 1.844 -7.679 10.084 1.00 0.44 H new ATOM 0 HB2 LYS A 141 2.269 -6.257 12.108 1.00 0.70 H new ATOM 0 HB3 LYS A 141 1.756 -7.588 13.125 1.00 0.70 H new ATOM 0 HG2 LYS A 141 3.596 -8.992 12.159 1.00 0.79 H new ATOM 0 HG3 LYS A 141 4.132 -7.607 11.229 1.00 0.79 H new ATOM 0 HD2 LYS A 141 3.945 -7.697 14.267 1.00 0.98 H new ATOM 0 HD3 LYS A 141 5.420 -7.918 13.347 1.00 0.98 H new ATOM 0 HE2 LYS A 141 5.159 -5.635 12.385 1.00 1.45 H new ATOM 0 HE3 LYS A 141 3.688 -5.415 13.312 1.00 1.45 H new ATOM 0 HZ1 LYS A 141 5.577 -4.407 14.413 1.00 2.04 H new ATOM 0 HZ2 LYS A 141 4.968 -5.682 15.356 1.00 2.04 H new ATOM 0 HZ3 LYS A 141 6.393 -5.895 14.458 1.00 2.04 H new ATOM 2219 N VAL A 142 1.431 -10.106 10.102 1.00 0.35 N ATOM 2220 CA VAL A 142 1.290 -11.557 10.099 1.00 0.41 C ATOM 2221 C VAL A 142 2.645 -12.240 9.938 1.00 0.49 C ATOM 2222 O VAL A 142 3.297 -12.115 8.901 1.00 0.70 O ATOM 2223 CB VAL A 142 0.355 -12.025 8.968 1.00 0.56 C ATOM 2224 CG1 VAL A 142 0.260 -13.542 8.941 1.00 0.92 C ATOM 2225 CG2 VAL A 142 -1.023 -11.401 9.127 1.00 0.81 C ATOM 0 H VAL A 142 1.753 -9.713 9.217 1.00 0.35 H new ATOM 0 HA VAL A 142 0.857 -11.837 11.059 1.00 0.41 H new ATOM 0 HB VAL A 142 0.774 -11.696 8.017 1.00 0.56 H new ATOM 0 HG11 VAL A 142 -0.405 -13.851 8.135 1.00 0.92 H new ATOM 0 HG12 VAL A 142 1.251 -13.966 8.776 1.00 0.92 H new ATOM 0 HG13 VAL A 142 -0.133 -13.899 9.893 1.00 0.92 H new ATOM 0 HG21 VAL A 142 -1.672 -11.742 8.320 1.00 0.81 H new ATOM 0 HG22 VAL A 142 -1.449 -11.699 10.085 1.00 0.81 H new ATOM 0 HG23 VAL A 142 -0.937 -10.315 9.090 1.00 0.81 H new ATOM 2235 N ASP A 143 3.063 -12.963 10.973 1.00 0.49 N ATOM 2236 CA ASP A 143 4.336 -13.672 10.950 1.00 0.57 C ATOM 2237 C ASP A 143 4.382 -14.665 9.793 1.00 0.84 C ATOM 2238 O ASP A 143 3.362 -15.241 9.414 1.00 1.02 O ATOM 2239 CB ASP A 143 4.558 -14.403 12.274 1.00 0.73 C ATOM 2240 CG ASP A 143 4.583 -13.456 13.457 1.00 1.51 C ATOM 2241 OD1 ASP A 143 5.662 -12.897 13.748 1.00 1.78 O ATOM 2242 OD2 ASP A 143 3.524 -13.274 14.095 1.00 2.39 O ATOM 0 H ASP A 143 2.536 -13.073 11.840 1.00 0.49 H new ATOM 0 HA ASP A 143 5.131 -12.940 10.809 1.00 0.57 H new ATOM 0 HB2 ASP A 143 3.767 -15.139 12.417 1.00 0.73 H new ATOM 0 HB3 ASP A 143 5.499 -14.951 12.230 1.00 0.73 H new ATOM 2247 N SER A 144 5.575 -14.862 9.238 1.00 1.03 N ATOM 2248 CA SER A 144 5.760 -15.780 8.121 1.00 1.43 C ATOM 2249 C SER A 144 5.607 -17.232 8.567 1.00 1.30 C ATOM 2250 O SER A 144 6.054 -17.609 9.652 1.00 1.83 O ATOM 2251 CB SER A 144 7.138 -15.573 7.490 1.00 2.21 C ATOM 2252 OG SER A 144 7.284 -14.250 7.003 1.00 3.06 O ATOM 0 H SER A 144 6.429 -14.396 9.545 1.00 1.03 H new ATOM 0 HA SER A 144 4.988 -15.567 7.381 1.00 1.43 H new ATOM 0 HB2 SER A 144 7.914 -15.780 8.227 1.00 2.21 H new ATOM 0 HB3 SER A 144 7.277 -16.282 6.674 1.00 2.21 H new ATOM 0 HG SER A 144 8.174 -14.144 6.606 1.00 3.06 H new ATOM 2258 N SER A 145 4.963 -18.035 7.721 1.00 1.31 N ATOM 2259 CA SER A 145 4.746 -19.454 8.002 1.00 1.34 C ATOM 2260 C SER A 145 3.829 -19.661 9.206 1.00 1.30 C ATOM 2261 O SER A 145 3.573 -20.794 9.611 1.00 1.61 O ATOM 2262 CB SER A 145 6.083 -20.164 8.236 1.00 1.94 C ATOM 2263 OG SER A 145 6.932 -20.036 7.110 1.00 2.25 O ATOM 0 H SER A 145 4.580 -17.724 6.828 1.00 1.31 H new ATOM 0 HA SER A 145 4.256 -19.886 7.130 1.00 1.34 H new ATOM 0 HB2 SER A 145 6.573 -19.743 9.114 1.00 1.94 H new ATOM 0 HB3 SER A 145 5.906 -21.219 8.444 1.00 1.94 H new ATOM 0 HG SER A 145 7.779 -20.496 7.285 1.00 2.25 H new ATOM 2269 N GLU A 146 3.336 -18.564 9.776 1.00 1.26 N ATOM 2270 CA GLU A 146 2.446 -18.640 10.929 1.00 1.51 C ATOM 2271 C GLU A 146 0.986 -18.602 10.487 1.00 1.43 C ATOM 2272 O GLU A 146 0.209 -19.507 10.795 1.00 1.95 O ATOM 2273 CB GLU A 146 2.729 -17.489 11.896 1.00 1.75 C ATOM 2274 CG GLU A 146 1.990 -17.605 13.219 1.00 1.72 C ATOM 2275 CD GLU A 146 2.364 -18.855 13.989 1.00 2.48 C ATOM 2276 OE1 GLU A 146 3.373 -18.819 14.726 1.00 3.04 O ATOM 2277 OE2 GLU A 146 1.649 -19.870 13.860 1.00 3.07 O ATOM 0 H GLU A 146 3.537 -17.616 9.459 1.00 1.26 H new ATOM 0 HA GLU A 146 2.630 -19.585 11.440 1.00 1.51 H new ATOM 0 HB2 GLU A 146 3.800 -17.446 12.091 1.00 1.75 H new ATOM 0 HB3 GLU A 146 2.454 -16.549 11.418 1.00 1.75 H new ATOM 0 HG2 GLU A 146 2.207 -16.728 13.830 1.00 1.72 H new ATOM 0 HG3 GLU A 146 0.916 -17.606 13.032 1.00 1.72 H new ATOM 2284 N ASN A 147 0.623 -17.549 9.762 1.00 1.13 N ATOM 2285 CA ASN A 147 -0.740 -17.384 9.267 1.00 1.51 C ATOM 2286 C ASN A 147 -0.731 -16.911 7.818 1.00 1.30 C ATOM 2287 O ASN A 147 -1.270 -15.852 7.496 1.00 1.68 O ATOM 2288 CB ASN A 147 -1.509 -16.387 10.135 1.00 2.13 C ATOM 2289 CG ASN A 147 -1.779 -16.913 11.530 1.00 2.99 C ATOM 2290 OD1 ASN A 147 -0.987 -16.705 12.448 1.00 3.45 O ATOM 2291 ND2 ASN A 147 -2.904 -17.597 11.695 1.00 3.59 N ATOM 0 H ASN A 147 1.257 -16.793 9.503 1.00 1.13 H new ATOM 0 HA ASN A 147 -1.238 -18.352 9.317 1.00 1.51 H new ATOM 0 HB2 ASN A 147 -0.942 -15.459 10.205 1.00 2.13 H new ATOM 0 HB3 ASN A 147 -2.456 -16.146 9.652 1.00 2.13 H new ATOM 0 HD21 ASN A 147 -3.141 -17.975 12.612 1.00 3.59 H new ATOM 0 HD22 ASN A 147 -3.531 -17.745 10.905 1.00 3.59 H new ATOM 2298 N LEU A 148 -0.114 -17.702 6.947 1.00 0.97 N ATOM 2299 CA LEU A 148 -0.032 -17.357 5.533 1.00 1.05 C ATOM 2300 C LEU A 148 -1.378 -17.547 4.845 1.00 0.99 C ATOM 2301 O LEU A 148 -1.544 -17.198 3.676 1.00 1.29 O ATOM 2302 CB LEU A 148 1.038 -18.206 4.844 1.00 1.08 C ATOM 2303 CG LEU A 148 1.783 -17.505 3.708 1.00 1.18 C ATOM 2304 CD1 LEU A 148 2.561 -16.311 4.240 1.00 1.72 C ATOM 2305 CD2 LEU A 148 2.714 -18.479 3.002 1.00 1.74 C ATOM 0 H LEU A 148 0.335 -18.584 7.194 1.00 0.97 H new ATOM 0 HA LEU A 148 0.244 -16.305 5.455 1.00 1.05 H new ATOM 0 HB2 LEU A 148 1.764 -18.527 5.591 1.00 1.08 H new ATOM 0 HB3 LEU A 148 0.568 -19.107 4.449 1.00 1.08 H new ATOM 0 HG LEU A 148 1.051 -17.144 2.985 1.00 1.18 H new ATOM 0 HD11 LEU A 148 3.086 -15.823 3.418 1.00 1.72 H new ATOM 0 HD12 LEU A 148 1.872 -15.604 4.701 1.00 1.72 H new ATOM 0 HD13 LEU A 148 3.284 -16.649 4.982 1.00 1.72 H new ATOM 0 HD21 LEU A 148 3.236 -17.964 2.196 1.00 1.74 H new ATOM 0 HD22 LEU A 148 3.441 -18.869 3.715 1.00 1.74 H new ATOM 0 HD23 LEU A 148 2.133 -19.303 2.589 1.00 1.74 H new ATOM 2317 N CYS A 149 -2.339 -18.103 5.578 1.00 0.81 N ATOM 2318 CA CYS A 149 -3.675 -18.338 5.040 1.00 0.79 C ATOM 2319 C CYS A 149 -4.605 -17.174 5.372 1.00 0.79 C ATOM 2320 O CYS A 149 -5.825 -17.334 5.418 1.00 1.26 O ATOM 2321 CB CYS A 149 -4.250 -19.642 5.597 1.00 0.77 C ATOM 2322 SG CYS A 149 -4.410 -19.669 7.399 1.00 1.73 S ATOM 0 H CYS A 149 -2.217 -18.399 6.546 1.00 0.81 H new ATOM 0 HA CYS A 149 -3.596 -18.419 3.956 1.00 0.79 H new ATOM 0 HB2 CYS A 149 -5.231 -19.813 5.153 1.00 0.77 H new ATOM 0 HB3 CYS A 149 -3.612 -20.469 5.287 1.00 0.77 H new ATOM 0 HG CYS A 149 -4.907 -20.811 7.774 1.00 1.73 H new ATOM 2328 N THR A 150 -4.018 -16.003 5.601 1.00 0.52 N ATOM 2329 CA THR A 150 -4.790 -14.810 5.932 1.00 0.47 C ATOM 2330 C THR A 150 -5.105 -13.993 4.680 1.00 0.37 C ATOM 2331 O THR A 150 -4.220 -13.371 4.093 1.00 0.35 O ATOM 2332 CB THR A 150 -4.039 -13.921 6.939 1.00 0.52 C ATOM 2333 OG1 THR A 150 -3.676 -14.688 8.093 1.00 0.83 O ATOM 2334 CG2 THR A 150 -4.897 -12.739 7.363 1.00 1.06 C ATOM 0 H THR A 150 -3.010 -15.855 5.563 1.00 0.52 H new ATOM 0 HA THR A 150 -5.723 -15.149 6.383 1.00 0.47 H new ATOM 0 HB THR A 150 -3.139 -13.542 6.454 1.00 0.52 H new ATOM 0 HG1 THR A 150 -2.809 -15.119 7.940 1.00 0.83 H new ATOM 0 HG21 THR A 150 -4.345 -12.125 8.075 1.00 1.06 H new ATOM 0 HG22 THR A 150 -5.150 -12.141 6.488 1.00 1.06 H new ATOM 0 HG23 THR A 150 -5.812 -13.103 7.831 1.00 1.06 H new ATOM 2342 N GLU A 151 -6.373 -14.005 4.276 1.00 0.38 N ATOM 2343 CA GLU A 151 -6.810 -13.268 3.093 1.00 0.34 C ATOM 2344 C GLU A 151 -6.700 -11.758 3.301 1.00 0.28 C ATOM 2345 O GLU A 151 -6.680 -10.993 2.337 1.00 0.28 O ATOM 2346 CB GLU A 151 -8.251 -13.644 2.740 1.00 0.46 C ATOM 2347 CG GLU A 151 -9.242 -13.383 3.863 1.00 1.22 C ATOM 2348 CD GLU A 151 -10.663 -13.752 3.483 1.00 1.34 C ATOM 2349 OE1 GLU A 151 -11.048 -14.922 3.688 1.00 1.46 O ATOM 2350 OE2 GLU A 151 -11.390 -12.869 2.980 1.00 1.95 O ATOM 0 H GLU A 151 -7.116 -14.517 4.751 1.00 0.38 H new ATOM 0 HA GLU A 151 -6.152 -13.542 2.268 1.00 0.34 H new ATOM 0 HB2 GLU A 151 -8.558 -13.082 1.858 1.00 0.46 H new ATOM 0 HB3 GLU A 151 -8.287 -14.700 2.474 1.00 0.46 H new ATOM 0 HG2 GLU A 151 -8.946 -13.952 4.744 1.00 1.22 H new ATOM 0 HG3 GLU A 151 -9.205 -12.329 4.138 1.00 1.22 H new ATOM 2357 N ASN A 152 -6.634 -11.337 4.560 1.00 0.27 N ATOM 2358 CA ASN A 152 -6.536 -9.917 4.890 1.00 0.28 C ATOM 2359 C ASN A 152 -5.274 -9.290 4.304 1.00 0.29 C ATOM 2360 O ASN A 152 -5.313 -8.185 3.764 1.00 0.32 O ATOM 2361 CB ASN A 152 -6.554 -9.715 6.408 1.00 0.37 C ATOM 2362 CG ASN A 152 -7.908 -10.016 7.028 1.00 0.53 C ATOM 2363 OD1 ASN A 152 -8.640 -10.958 6.445 1.00 1.30 O flip ATOM 2364 ND2 ASN A 152 -8.291 -9.406 8.027 1.00 1.29 N flip ATOM 0 H ASN A 152 -6.646 -11.958 5.369 1.00 0.27 H new ATOM 0 HA ASN A 152 -7.401 -9.421 4.449 1.00 0.28 H new ATOM 0 HB2 ASN A 152 -5.800 -10.357 6.864 1.00 0.37 H new ATOM 0 HB3 ASN A 152 -6.276 -8.686 6.636 1.00 0.37 H new ATOM 0 HD21 ASN A 152 -7.698 -8.689 8.445 1.00 1.29 H new ATOM 0 HD22 ASN A 152 -9.201 -9.618 8.436 1.00 1.29 H new ATOM 2371 N ILE A 153 -4.152 -10.001 4.412 1.00 0.31 N ATOM 2372 CA ILE A 153 -2.880 -9.500 3.900 1.00 0.37 C ATOM 2373 C ILE A 153 -2.720 -9.782 2.408 1.00 0.38 C ATOM 2374 O ILE A 153 -1.600 -9.850 1.899 1.00 0.71 O ATOM 2375 CB ILE A 153 -1.687 -10.116 4.658 1.00 0.42 C ATOM 2376 CG1 ILE A 153 -1.704 -11.642 4.532 1.00 0.40 C ATOM 2377 CG2 ILE A 153 -1.718 -9.695 6.121 1.00 0.48 C ATOM 2378 CD1 ILE A 153 -0.466 -12.311 5.090 1.00 0.48 C ATOM 0 H ILE A 153 -4.099 -10.922 4.848 1.00 0.31 H new ATOM 0 HA ILE A 153 -2.888 -8.421 4.057 1.00 0.37 H new ATOM 0 HB ILE A 153 -0.762 -9.748 4.214 1.00 0.42 H new ATOM 0 HG12 ILE A 153 -2.581 -12.031 5.049 1.00 0.40 H new ATOM 0 HG13 ILE A 153 -1.809 -11.910 3.481 1.00 0.40 H new ATOM 0 HG21 ILE A 153 -0.870 -10.137 6.645 1.00 0.48 H new ATOM 0 HG22 ILE A 153 -1.660 -8.609 6.188 1.00 0.48 H new ATOM 0 HG23 ILE A 153 -2.646 -10.038 6.579 1.00 0.48 H new ATOM 0 HD11 ILE A 153 -0.549 -13.391 4.966 1.00 0.48 H new ATOM 0 HD12 ILE A 153 0.414 -11.951 4.557 1.00 0.48 H new ATOM 0 HD13 ILE A 153 -0.370 -12.074 6.150 1.00 0.48 H new ATOM 2390 N LEU A 154 -3.840 -9.943 1.711 1.00 0.24 N ATOM 2391 CA LEU A 154 -3.814 -10.210 0.278 1.00 0.22 C ATOM 2392 C LEU A 154 -4.540 -9.108 -0.489 1.00 0.20 C ATOM 2393 O LEU A 154 -5.695 -8.797 -0.197 1.00 0.28 O ATOM 2394 CB LEU A 154 -4.458 -11.566 -0.026 1.00 0.23 C ATOM 2395 CG LEU A 154 -3.878 -12.753 0.749 1.00 0.28 C ATOM 2396 CD1 LEU A 154 -4.561 -14.046 0.329 1.00 0.30 C ATOM 2397 CD2 LEU A 154 -2.374 -12.853 0.537 1.00 0.35 C ATOM 0 H LEU A 154 -4.775 -9.893 2.115 1.00 0.24 H new ATOM 0 HA LEU A 154 -2.773 -10.233 -0.043 1.00 0.22 H new ATOM 0 HB2 LEU A 154 -5.525 -11.500 0.188 1.00 0.23 H new ATOM 0 HB3 LEU A 154 -4.359 -11.766 -1.093 1.00 0.23 H new ATOM 0 HG LEU A 154 -4.063 -12.591 1.811 1.00 0.28 H new ATOM 0 HD11 LEU A 154 -4.137 -14.880 0.889 1.00 0.30 H new ATOM 0 HD12 LEU A 154 -5.629 -13.977 0.534 1.00 0.30 H new ATOM 0 HD13 LEU A 154 -4.406 -14.209 -0.738 1.00 0.30 H new ATOM 0 HD21 LEU A 154 -1.983 -13.703 1.097 1.00 0.35 H new ATOM 0 HD22 LEU A 154 -2.164 -12.990 -0.524 1.00 0.35 H new ATOM 0 HD23 LEU A 154 -1.896 -11.938 0.886 1.00 0.35 H new ATOM 2409 N PHE A 155 -3.860 -8.523 -1.471 1.00 0.17 N ATOM 2410 CA PHE A 155 -4.449 -7.454 -2.269 1.00 0.18 C ATOM 2411 C PHE A 155 -4.427 -7.786 -3.757 1.00 0.17 C ATOM 2412 O PHE A 155 -3.536 -8.487 -4.241 1.00 0.20 O ATOM 2413 CB PHE A 155 -3.717 -6.135 -2.021 1.00 0.22 C ATOM 2414 CG PHE A 155 -4.221 -5.395 -0.817 1.00 0.24 C ATOM 2415 CD1 PHE A 155 -5.470 -4.792 -0.832 1.00 0.37 C ATOM 2416 CD2 PHE A 155 -3.449 -5.299 0.330 1.00 0.43 C ATOM 2417 CE1 PHE A 155 -5.940 -4.112 0.274 1.00 0.42 C ATOM 2418 CE2 PHE A 155 -3.914 -4.618 1.439 1.00 0.52 C ATOM 2419 CZ PHE A 155 -5.160 -4.025 1.411 1.00 0.42 C ATOM 0 H PHE A 155 -2.905 -8.770 -1.732 1.00 0.17 H new ATOM 0 HA PHE A 155 -5.489 -7.352 -1.960 1.00 0.18 H new ATOM 0 HB2 PHE A 155 -2.653 -6.336 -1.897 1.00 0.22 H new ATOM 0 HB3 PHE A 155 -3.821 -5.499 -2.900 1.00 0.22 H new ATOM 0 HD1 PHE A 155 -6.082 -4.855 -1.719 1.00 0.37 H new ATOM 0 HD2 PHE A 155 -2.473 -5.761 0.357 1.00 0.43 H new ATOM 0 HE1 PHE A 155 -6.915 -3.649 0.250 1.00 0.42 H new ATOM 0 HE2 PHE A 155 -3.303 -4.550 2.327 1.00 0.52 H new ATOM 0 HZ PHE A 155 -5.525 -3.493 2.277 1.00 0.42 H new ATOM 2429 N LYS A 156 -5.421 -7.263 -4.470 1.00 0.18 N ATOM 2430 CA LYS A 156 -5.550 -7.483 -5.906 1.00 0.21 C ATOM 2431 C LYS A 156 -5.573 -6.149 -6.646 1.00 0.22 C ATOM 2432 O LYS A 156 -6.111 -5.163 -6.143 1.00 0.28 O ATOM 2433 CB LYS A 156 -6.830 -8.266 -6.206 1.00 0.24 C ATOM 2434 CG LYS A 156 -6.908 -9.606 -5.489 1.00 0.27 C ATOM 2435 CD LYS A 156 -8.288 -10.235 -5.623 1.00 0.40 C ATOM 2436 CE LYS A 156 -8.617 -10.570 -7.070 1.00 0.93 C ATOM 2437 NZ LYS A 156 -7.640 -11.529 -7.656 1.00 1.38 N ATOM 0 H LYS A 156 -6.155 -6.678 -4.071 1.00 0.18 H new ATOM 0 HA LYS A 156 -4.691 -8.061 -6.248 1.00 0.21 H new ATOM 0 HB2 LYS A 156 -7.691 -7.661 -5.922 1.00 0.24 H new ATOM 0 HB3 LYS A 156 -6.899 -8.434 -7.281 1.00 0.24 H new ATOM 0 HG2 LYS A 156 -6.158 -10.283 -5.899 1.00 0.27 H new ATOM 0 HG3 LYS A 156 -6.671 -9.469 -4.434 1.00 0.27 H new ATOM 0 HD2 LYS A 156 -8.334 -11.142 -5.020 1.00 0.40 H new ATOM 0 HD3 LYS A 156 -9.039 -9.551 -5.228 1.00 0.40 H new ATOM 0 HE2 LYS A 156 -9.619 -10.994 -7.125 1.00 0.93 H new ATOM 0 HE3 LYS A 156 -8.626 -9.654 -7.661 1.00 0.93 H new ATOM 0 HZ1 LYS A 156 -7.956 -11.809 -8.606 1.00 1.38 H new ATOM 0 HZ2 LYS A 156 -6.706 -11.077 -7.721 1.00 1.38 H new ATOM 0 HZ3 LYS A 156 -7.575 -12.372 -7.050 1.00 1.38 H new ATOM 2451 N LEU A 157 -4.989 -6.123 -7.840 1.00 0.25 N ATOM 2452 CA LEU A 157 -4.941 -4.903 -8.638 1.00 0.29 C ATOM 2453 C LEU A 157 -5.678 -5.077 -9.962 1.00 0.32 C ATOM 2454 O LEU A 157 -5.883 -6.196 -10.431 1.00 0.53 O ATOM 2455 CB LEU A 157 -3.487 -4.502 -8.903 1.00 0.39 C ATOM 2456 CG LEU A 157 -2.635 -4.279 -7.651 1.00 0.48 C ATOM 2457 CD1 LEU A 157 -1.181 -4.049 -8.032 1.00 0.58 C ATOM 2458 CD2 LEU A 157 -3.164 -3.103 -6.844 1.00 0.51 C ATOM 0 H LEU A 157 -4.543 -6.931 -8.275 1.00 0.25 H new ATOM 0 HA LEU A 157 -5.437 -4.114 -8.072 1.00 0.29 H new ATOM 0 HB2 LEU A 157 -3.018 -5.277 -9.509 1.00 0.39 H new ATOM 0 HB3 LEU A 157 -3.481 -3.587 -9.495 1.00 0.39 H new ATOM 0 HG LEU A 157 -2.695 -5.174 -7.032 1.00 0.48 H new ATOM 0 HD11 LEU A 157 -0.589 -3.892 -7.130 1.00 0.58 H new ATOM 0 HD12 LEU A 157 -0.803 -4.920 -8.567 1.00 0.58 H new ATOM 0 HD13 LEU A 157 -1.107 -3.170 -8.672 1.00 0.58 H new ATOM 0 HD21 LEU A 157 -2.545 -2.961 -5.958 1.00 0.51 H new ATOM 0 HD22 LEU A 157 -3.136 -2.201 -7.455 1.00 0.51 H new ATOM 0 HD23 LEU A 157 -4.191 -3.303 -6.540 1.00 0.51 H new ATOM 2470 N SER A 158 -6.074 -3.957 -10.559 1.00 0.41 N ATOM 2471 CA SER A 158 -6.788 -3.970 -11.830 1.00 0.48 C ATOM 2472 C SER A 158 -6.423 -2.748 -12.661 1.00 0.50 C ATOM 2473 O SER A 158 -6.636 -1.612 -12.237 1.00 0.69 O ATOM 2474 CB SER A 158 -8.297 -4.000 -11.597 1.00 0.57 C ATOM 2475 OG SER A 158 -8.996 -4.212 -12.811 1.00 1.47 O ATOM 0 H SER A 158 -5.911 -3.024 -10.180 1.00 0.41 H new ATOM 0 HA SER A 158 -6.495 -4.869 -12.373 1.00 0.48 H new ATOM 0 HB2 SER A 158 -8.543 -4.791 -10.889 1.00 0.57 H new ATOM 0 HB3 SER A 158 -8.618 -3.060 -11.148 1.00 0.57 H new ATOM 0 HG SER A 158 -9.960 -4.229 -12.635 1.00 1.47 H new ATOM 2481 N GLU A 159 -5.871 -2.982 -13.847 1.00 0.58 N ATOM 2482 CA GLU A 159 -5.482 -1.891 -14.729 1.00 0.66 C ATOM 2483 C GLU A 159 -6.692 -1.335 -15.472 1.00 0.60 C ATOM 2484 O GLU A 159 -6.999 -1.758 -16.587 1.00 0.73 O ATOM 2485 CB GLU A 159 -4.424 -2.367 -15.727 1.00 0.94 C ATOM 2486 CG GLU A 159 -3.146 -2.862 -15.068 1.00 1.13 C ATOM 2487 CD GLU A 159 -2.100 -3.298 -16.076 1.00 1.69 C ATOM 2488 OE1 GLU A 159 -1.310 -2.438 -16.521 1.00 2.23 O ATOM 2489 OE2 GLU A 159 -2.069 -4.499 -16.420 1.00 2.11 O ATOM 0 H GLU A 159 -5.684 -3.914 -14.217 1.00 0.58 H new ATOM 0 HA GLU A 159 -5.059 -1.094 -14.118 1.00 0.66 H new ATOM 0 HB2 GLU A 159 -4.844 -3.169 -16.334 1.00 0.94 H new ATOM 0 HB3 GLU A 159 -4.180 -1.548 -16.404 1.00 0.94 H new ATOM 0 HG2 GLU A 159 -2.734 -2.070 -14.442 1.00 1.13 H new ATOM 0 HG3 GLU A 159 -3.382 -3.698 -14.410 1.00 1.13 H new ATOM 2496 N THR A 160 -7.376 -0.384 -14.842 1.00 0.57 N ATOM 2497 CA THR A 160 -8.551 0.241 -15.439 1.00 0.69 C ATOM 2498 C THR A 160 -8.392 1.757 -15.507 1.00 1.35 C ATOM 2499 O THR A 160 -7.932 2.256 -16.555 1.00 1.89 O ATOM 2500 CB THR A 160 -9.829 -0.098 -14.649 1.00 1.14 C ATOM 2501 OG1 THR A 160 -9.670 0.272 -13.274 1.00 1.94 O ATOM 2502 CG2 THR A 160 -10.147 -1.583 -14.745 1.00 1.98 C ATOM 2503 OXT THR A 160 -8.727 2.434 -14.511 1.00 2.15 O ATOM 0 H THR A 160 -7.136 -0.029 -13.916 1.00 0.57 H new ATOM 0 HA THR A 160 -8.643 -0.156 -16.450 1.00 0.69 H new ATOM 0 HB THR A 160 -10.656 0.464 -15.083 1.00 1.14 H new ATOM 0 HG1 THR A 160 -9.338 1.192 -13.219 1.00 1.94 H new ATOM 0 HG21 THR A 160 -11.054 -1.798 -14.179 1.00 1.98 H new ATOM 0 HG22 THR A 160 -10.298 -1.856 -15.789 1.00 1.98 H new ATOM 0 HG23 THR A 160 -9.318 -2.160 -14.335 1.00 1.98 H new TER 2511 THR A 160