USER MOD reduce.3.24.130724 H: found=0, std=0, add=942, rem=0, adj=37 USER MOD reduce.3.24.130724 removed 933 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 111 SER OG : rot -85:sc= 0.947 USER MOD Set 1.2: A 112 LYS NZ :NH3+ -172:sc= 0.391 (180deg=-0.231) USER MOD Set 2.1: A 48 MET CE :methyl 177:sc= -0.143 (180deg=-0.0743) USER MOD Set 2.2: A 90 MET CE :methyl 177:sc= -0.424 (180deg=-0.424) USER MOD Set 3.1: A 79 ASN :FLIP amide:sc= 0.489 F(o=0.36,f=1) USER MOD Set 3.2: A 82 SER OG : rot 101:sc= 0.534 USER MOD Set 4.1: A 30 ASN : amide:sc= 1.08 K(o=2.8,f=-0.85) USER MOD Set 4.2: A 76 SER OG : rot 76:sc= 1.74 USER MOD Set 5.1: A 19 SER OG : rot 17:sc= 0.7 USER MOD Set 5.2: A 21 MET CE :methyl 176:sc= -0.254 (180deg=-0.281) USER MOD Set 6.1: A 4 SER OG : rot 180:sc= 0 USER MOD Set 6.2: A 6 HIS : no HD1:sc= 0.642 K(o=0.64,f=-3.1!) USER MOD Single : A 1 MET CE :methyl -167:sc= -0.0134 (180deg=-0.242) USER MOD Single : A 1 MET N :NH3+ -129:sc= 0.00823 (180deg=-0.3) USER MOD Single : A 3 SER OG : rot -12:sc= 0.771 USER MOD Single : A 5 HIS : no HD1:sc= -0.071 K(o=-0.071,f=-0.59) USER MOD Single : A 7 HIS : no HD1:sc= 0.335 K(o=0.33,f=-2!) USER MOD Single : A 8 HIS : no HD1:sc= 0.348 K(o=0.35,f=-1.8!) USER MOD Single : A 9 HIS : no HD1:sc= -0.0114 X(o=-0.011,f=-0.36) USER MOD Single : A 10 HIS : no HD1:sc= 0.114 K(o=0.11,f=-2.9!) USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 140:sc= 0.00228 USER MOD Single : A 20 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 22 GLN : amide:sc= -3.25! C(o=-3.2!,f=-4.1!) USER MOD Single : A 23 LYS NZ :NH3+ -176:sc= 1.22 (180deg=1.16) USER MOD Single : A 34 TYR OH : rot -117:sc= 0.913 USER MOD Single : A 35 HIS : +bothHN:sc= -2.15 K(o=-2.1,f=-9.7!) USER MOD Single : A 38 GLN : amide:sc= 0.228 X(o=0.23,f=-0.073) USER MOD Single : A 43 GLN : amide:sc= -0.208 K(o=-0.21,f=-1.6) USER MOD Single : A 47 GLN : amide:sc= -0.173 K(o=-0.17,f=-1.4) USER MOD Single : A 50 MET CE :methyl -178:sc= -0.165 (180deg=-0.18) USER MOD Single : A 54 ASN : amide:sc= -0.167 X(o=-0.17,f=-0.43) USER MOD Single : A 57 SER OG : rot -120:sc= -0.103 USER MOD Single : A 59 LYS NZ :NH3+ -164:sc= 0.852 (180deg=0.72) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 GLN : amide:sc= 0.728 K(o=0.73,f=-0.035) USER MOD Single : A 66 THR OG1 : rot 180:sc= 0.124 USER MOD Single : A 67 ASN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 CYS SG : rot 180:sc= 0 USER MOD Single : A 77 TYR OH : rot -155:sc= 0.337 USER MOD Single : A 84 GLN :FLIP amide:sc= -0.672 F(o=-1.3,f=-0.67) USER MOD Single : A 88 GLN : amide:sc= 0 K(o=0,f=-0.89) USER MOD Single : A 91 ASN : amide:sc= 0 K(o=0,f=-1.8) USER MOD Single : A 94 GLN : amide:sc= 0 K(o=0,f=-0.93) USER MOD Single : A 97 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 98 LYS NZ :NH3+ 166:sc= -0.0223 (180deg=-0.225) USER MOD Single : A 101 LYS NZ :NH3+ -175:sc= 0.206 (180deg=0.197) USER MOD Single : A 103 GLN : amide:sc= -0.598 X(o=-0.6,f=-0.34) USER MOD Single : A 105 LYS NZ :NH3+ 173:sc= 0.702 (180deg=0.686) USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 ASN : amide:sc= 0.691 K(o=0.69,f=0) USER MOD Single : B 115 U O2' : rot 53:sc= 0.455 USER MOD Single : B 115 U O5' : rot 180:sc= 0 USER MOD Single : B 116 U O2' : rot 25:sc= 0.125 USER MOD Single : B 117 U O2' : rot 110:sc= 1.02 USER MOD Single : B 118 A O2' : rot 78:sc= 1.56 USER MOD Single : B 119 A O2' : rot 180:sc= 0.254 USER MOD Single : B 119 A O3' : rot 47:sc= 0.975 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 23.323 -7.013 -54.840 1.00 0.00 N ATOM 2 CA MET A 1 23.653 -5.773 -54.114 1.00 0.00 C ATOM 3 C MET A 1 25.059 -5.302 -54.467 1.00 0.00 C ATOM 4 O MET A 1 25.885 -6.093 -54.923 1.00 0.00 O ATOM 5 CB MET A 1 23.516 -5.953 -52.599 1.00 0.00 C ATOM 6 CG MET A 1 22.078 -6.307 -52.212 1.00 0.00 C ATOM 7 SD MET A 1 21.798 -6.451 -50.427 1.00 0.00 S ATOM 8 CE MET A 1 22.832 -7.896 -50.063 1.00 0.00 C ATOM 0 H1 MET A 1 22.407 -6.901 -55.319 1.00 0.00 H new ATOM 0 H2 MET A 1 24.061 -7.209 -55.546 1.00 0.00 H new ATOM 0 H3 MET A 1 23.268 -7.805 -54.168 1.00 0.00 H new ATOM 0 HA MET A 1 22.938 -5.011 -54.425 1.00 0.00 H new ATOM 0 HB2 MET A 1 24.191 -6.740 -52.261 1.00 0.00 H new ATOM 0 HB3 MET A 1 23.817 -5.036 -52.092 1.00 0.00 H new ATOM 0 HG2 MET A 1 21.409 -5.545 -52.612 1.00 0.00 H new ATOM 0 HG3 MET A 1 21.808 -7.250 -52.687 1.00 0.00 H new ATOM 0 HE1 MET A 1 22.602 -8.266 -49.064 1.00 0.00 H new ATOM 0 HE2 MET A 1 22.633 -8.679 -50.794 1.00 0.00 H new ATOM 0 HE3 MET A 1 23.883 -7.613 -50.112 1.00 0.00 H new ATOM 20 N GLY A 2 25.337 -4.014 -54.259 1.00 0.00 N ATOM 21 CA GLY A 2 26.629 -3.421 -54.573 1.00 0.00 C ATOM 22 C GLY A 2 27.693 -3.736 -53.522 1.00 0.00 C ATOM 23 O GLY A 2 28.861 -3.408 -53.727 1.00 0.00 O ATOM 0 H GLY A 2 24.666 -3.354 -53.866 1.00 0.00 H new ATOM 0 HA2 GLY A 2 26.965 -3.784 -55.544 1.00 0.00 H new ATOM 0 HA3 GLY A 2 26.517 -2.340 -54.658 1.00 0.00 H new ATOM 27 N SER A 3 27.298 -4.365 -52.409 1.00 0.00 N ATOM 28 CA SER A 3 28.172 -4.750 -51.303 1.00 0.00 C ATOM 29 C SER A 3 29.019 -3.591 -50.767 1.00 0.00 C ATOM 30 O SER A 3 30.051 -3.819 -50.136 1.00 0.00 O ATOM 31 CB SER A 3 29.007 -5.983 -51.662 1.00 0.00 C ATOM 32 OG SER A 3 30.001 -5.682 -52.617 1.00 0.00 O ATOM 0 H SER A 3 26.325 -4.628 -52.251 1.00 0.00 H new ATOM 0 HA SER A 3 27.524 -5.029 -50.472 1.00 0.00 H new ATOM 0 HB2 SER A 3 29.476 -6.379 -50.761 1.00 0.00 H new ATOM 0 HB3 SER A 3 28.354 -6.764 -52.051 1.00 0.00 H new ATOM 0 HG SER A 3 29.827 -4.798 -53.003 1.00 0.00 H new ATOM 38 N SER A 4 28.587 -2.349 -51.013 1.00 0.00 N ATOM 39 CA SER A 4 29.291 -1.161 -50.551 1.00 0.00 C ATOM 40 C SER A 4 29.296 -1.083 -49.025 1.00 0.00 C ATOM 41 O SER A 4 28.416 -1.632 -48.362 1.00 0.00 O ATOM 42 CB SER A 4 28.642 0.091 -51.139 1.00 0.00 C ATOM 43 OG SER A 4 28.759 0.070 -52.546 1.00 0.00 O ATOM 0 H SER A 4 27.737 -2.146 -51.539 1.00 0.00 H new ATOM 0 HA SER A 4 30.325 -1.223 -50.890 1.00 0.00 H new ATOM 0 HB2 SER A 4 27.591 0.137 -50.852 1.00 0.00 H new ATOM 0 HB3 SER A 4 29.121 0.984 -50.738 1.00 0.00 H new ATOM 0 HG SER A 4 28.341 0.873 -52.921 1.00 0.00 H new ATOM 49 N HIS A 5 30.292 -0.390 -48.468 1.00 0.00 N ATOM 50 CA HIS A 5 30.412 -0.201 -47.025 1.00 0.00 C ATOM 51 C HIS A 5 31.196 1.071 -46.696 1.00 0.00 C ATOM 52 O HIS A 5 31.301 1.444 -45.529 1.00 0.00 O ATOM 53 CB HIS A 5 31.095 -1.428 -46.414 1.00 0.00 C ATOM 54 CG HIS A 5 32.436 -1.730 -47.037 1.00 0.00 C ATOM 55 ND1 HIS A 5 33.594 -0.961 -46.887 1.00 0.00 N ATOM 56 CD2 HIS A 5 32.716 -2.815 -47.817 1.00 0.00 C ATOM 57 CE1 HIS A 5 34.541 -1.604 -47.593 1.00 0.00 C ATOM 58 NE2 HIS A 5 34.044 -2.718 -48.161 1.00 0.00 N ATOM 0 H HIS A 5 31.036 0.054 -49.006 1.00 0.00 H new ATOM 0 HA HIS A 5 29.415 -0.088 -46.599 1.00 0.00 H new ATOM 0 HB2 HIS A 5 31.226 -1.268 -45.344 1.00 0.00 H new ATOM 0 HB3 HIS A 5 30.444 -2.294 -46.530 1.00 0.00 H new ATOM 0 HD2 HIS A 5 32.029 -3.596 -48.107 1.00 0.00 H new ATOM 0 HE1 HIS A 5 35.564 -1.271 -47.691 1.00 0.00 H new ATOM 0 HE2 HIS A 5 34.562 -3.375 -48.744 1.00 0.00 H new ATOM 66 N HIS A 6 31.748 1.735 -47.716 1.00 0.00 N ATOM 67 CA HIS A 6 32.520 2.957 -47.544 1.00 0.00 C ATOM 68 C HIS A 6 31.615 4.182 -47.412 1.00 0.00 C ATOM 69 O HIS A 6 32.091 5.266 -47.072 1.00 0.00 O ATOM 70 CB HIS A 6 33.448 3.114 -48.750 1.00 0.00 C ATOM 71 CG HIS A 6 32.714 3.122 -50.065 1.00 0.00 C ATOM 72 ND1 HIS A 6 32.052 2.025 -50.629 1.00 0.00 N ATOM 73 CD2 HIS A 6 32.613 4.190 -50.910 1.00 0.00 C ATOM 74 CE1 HIS A 6 31.562 2.466 -51.799 1.00 0.00 C ATOM 75 NE2 HIS A 6 31.881 3.762 -51.990 1.00 0.00 N ATOM 0 H HIS A 6 31.668 1.434 -48.687 1.00 0.00 H new ATOM 0 HA HIS A 6 33.099 2.885 -46.623 1.00 0.00 H new ATOM 0 HB2 HIS A 6 34.010 4.042 -48.649 1.00 0.00 H new ATOM 0 HB3 HIS A 6 34.173 2.300 -48.751 1.00 0.00 H new ATOM 0 HD2 HIS A 6 33.027 5.176 -50.759 1.00 0.00 H new ATOM 0 HE1 HIS A 6 30.991 1.865 -52.492 1.00 0.00 H new ATOM 0 HE2 HIS A 6 31.623 4.328 -52.798 1.00 0.00 H new ATOM 83 N HIS A 7 30.316 4.024 -47.676 1.00 0.00 N ATOM 84 CA HIS A 7 29.357 5.116 -47.577 1.00 0.00 C ATOM 85 C HIS A 7 29.049 5.435 -46.114 1.00 0.00 C ATOM 86 O HIS A 7 29.224 4.593 -45.233 1.00 0.00 O ATOM 87 CB HIS A 7 28.079 4.748 -48.331 1.00 0.00 C ATOM 88 CG HIS A 7 27.429 3.480 -47.838 1.00 0.00 C ATOM 89 ND1 HIS A 7 27.922 2.186 -48.032 1.00 0.00 N ATOM 90 CD2 HIS A 7 26.247 3.413 -47.156 1.00 0.00 C ATOM 91 CE1 HIS A 7 27.022 1.375 -47.454 1.00 0.00 C ATOM 92 NE2 HIS A 7 26.010 2.082 -46.921 1.00 0.00 N ATOM 0 H HIS A 7 29.904 3.136 -47.963 1.00 0.00 H new ATOM 0 HA HIS A 7 29.790 6.008 -48.029 1.00 0.00 H new ATOM 0 HB2 HIS A 7 27.367 5.569 -48.244 1.00 0.00 H new ATOM 0 HB3 HIS A 7 28.311 4.639 -49.390 1.00 0.00 H new ATOM 0 HD2 HIS A 7 25.623 4.243 -46.860 1.00 0.00 H new ATOM 0 HE1 HIS A 7 27.100 0.298 -47.421 1.00 0.00 H new ATOM 0 HE2 HIS A 7 25.205 1.696 -46.427 1.00 0.00 H new ATOM 100 N HIS A 8 28.586 6.661 -45.858 1.00 0.00 N ATOM 101 CA HIS A 8 28.220 7.103 -44.522 1.00 0.00 C ATOM 102 C HIS A 8 26.920 6.439 -44.070 1.00 0.00 C ATOM 103 O HIS A 8 26.146 5.952 -44.894 1.00 0.00 O ATOM 104 CB HIS A 8 28.085 8.626 -44.508 1.00 0.00 C ATOM 105 CG HIS A 8 27.021 9.135 -45.447 1.00 0.00 C ATOM 106 ND1 HIS A 8 27.086 9.097 -46.845 1.00 0.00 N ATOM 107 CD2 HIS A 8 25.858 9.741 -45.070 1.00 0.00 C ATOM 108 CE1 HIS A 8 25.952 9.676 -47.272 1.00 0.00 C ATOM 109 NE2 HIS A 8 25.196 10.070 -46.231 1.00 0.00 N ATOM 0 H HIS A 8 28.456 7.372 -46.577 1.00 0.00 H new ATOM 0 HA HIS A 8 29.003 6.810 -43.823 1.00 0.00 H new ATOM 0 HB2 HIS A 8 27.854 8.955 -43.495 1.00 0.00 H new ATOM 0 HB3 HIS A 8 29.042 9.072 -44.778 1.00 0.00 H new ATOM 0 HD2 HIS A 8 25.523 9.926 -44.060 1.00 0.00 H new ATOM 0 HE1 HIS A 8 25.683 9.807 -48.310 1.00 0.00 H new ATOM 0 HE2 HIS A 8 24.289 10.533 -46.292 1.00 0.00 H new ATOM 117 N HIS A 9 26.679 6.420 -42.755 1.00 0.00 N ATOM 118 CA HIS A 9 25.485 5.802 -42.187 1.00 0.00 C ATOM 119 C HIS A 9 25.060 6.481 -40.884 1.00 0.00 C ATOM 120 O HIS A 9 24.087 6.057 -40.263 1.00 0.00 O ATOM 121 CB HIS A 9 25.758 4.315 -41.945 1.00 0.00 C ATOM 122 CG HIS A 9 26.856 4.063 -40.946 1.00 0.00 C ATOM 123 ND1 HIS A 9 28.219 4.316 -41.147 1.00 0.00 N ATOM 124 CD2 HIS A 9 26.680 3.516 -39.709 1.00 0.00 C ATOM 125 CE1 HIS A 9 28.825 3.918 -40.017 1.00 0.00 C ATOM 126 NE2 HIS A 9 27.928 3.436 -39.140 1.00 0.00 N ATOM 0 H HIS A 9 27.304 6.831 -42.062 1.00 0.00 H new ATOM 0 HA HIS A 9 24.665 5.920 -42.895 1.00 0.00 H new ATOM 0 HB2 HIS A 9 24.843 3.837 -41.596 1.00 0.00 H new ATOM 0 HB3 HIS A 9 26.023 3.843 -42.891 1.00 0.00 H new ATOM 0 HD2 HIS A 9 25.745 3.207 -39.265 1.00 0.00 H new ATOM 0 HE1 HIS A 9 29.888 3.977 -39.837 1.00 0.00 H new ATOM 0 HE2 HIS A 9 28.138 3.073 -38.210 1.00 0.00 H new ATOM 134 N HIS A 10 25.772 7.530 -40.458 1.00 0.00 N ATOM 135 CA HIS A 10 25.476 8.226 -39.209 1.00 0.00 C ATOM 136 C HIS A 10 24.166 9.017 -39.298 1.00 0.00 C ATOM 137 O HIS A 10 23.698 9.545 -38.290 1.00 0.00 O ATOM 138 CB HIS A 10 26.633 9.166 -38.873 1.00 0.00 C ATOM 139 CG HIS A 10 26.828 10.260 -39.892 1.00 0.00 C ATOM 140 ND1 HIS A 10 27.244 10.071 -41.215 1.00 0.00 N ATOM 141 CD2 HIS A 10 26.661 11.594 -39.664 1.00 0.00 C ATOM 142 CE1 HIS A 10 27.308 11.301 -41.750 1.00 0.00 C ATOM 143 NE2 HIS A 10 26.961 12.233 -40.844 1.00 0.00 N ATOM 0 H HIS A 10 26.566 7.916 -40.969 1.00 0.00 H new ATOM 0 HA HIS A 10 25.356 7.482 -38.421 1.00 0.00 H new ATOM 0 HB2 HIS A 10 26.454 9.616 -37.897 1.00 0.00 H new ATOM 0 HB3 HIS A 10 27.552 8.586 -38.793 1.00 0.00 H new ATOM 0 HD2 HIS A 10 26.353 12.058 -38.738 1.00 0.00 H new ATOM 0 HE1 HIS A 10 27.598 11.513 -42.768 1.00 0.00 H new ATOM 0 HE2 HIS A 10 26.926 13.240 -41.005 1.00 0.00 H new ATOM 151 N SER A 11 23.577 9.102 -40.494 1.00 0.00 N ATOM 152 CA SER A 11 22.314 9.798 -40.699 1.00 0.00 C ATOM 153 C SER A 11 21.147 8.991 -40.123 1.00 0.00 C ATOM 154 O SER A 11 20.079 9.545 -39.865 1.00 0.00 O ATOM 155 CB SER A 11 22.126 10.040 -42.196 1.00 0.00 C ATOM 156 OG SER A 11 20.909 10.719 -42.442 1.00 0.00 O ATOM 0 H SER A 11 23.965 8.690 -41.342 1.00 0.00 H new ATOM 0 HA SER A 11 22.334 10.754 -40.176 1.00 0.00 H new ATOM 0 HB2 SER A 11 22.960 10.626 -42.583 1.00 0.00 H new ATOM 0 HB3 SER A 11 22.131 9.088 -42.727 1.00 0.00 H new ATOM 0 HG SER A 11 20.806 10.867 -43.405 1.00 0.00 H new ATOM 162 N SER A 12 21.342 7.683 -39.923 1.00 0.00 N ATOM 163 CA SER A 12 20.331 6.818 -39.333 1.00 0.00 C ATOM 164 C SER A 12 20.267 7.027 -37.825 1.00 0.00 C ATOM 165 O SER A 12 21.303 7.193 -37.180 1.00 0.00 O ATOM 166 CB SER A 12 20.649 5.359 -39.669 1.00 0.00 C ATOM 167 OG SER A 12 19.711 4.504 -39.056 1.00 0.00 O ATOM 0 H SER A 12 22.207 7.201 -40.168 1.00 0.00 H new ATOM 0 HA SER A 12 19.355 7.070 -39.747 1.00 0.00 H new ATOM 0 HB2 SER A 12 20.632 5.215 -40.749 1.00 0.00 H new ATOM 0 HB3 SER A 12 21.655 5.111 -39.330 1.00 0.00 H new ATOM 0 HG SER A 12 19.480 3.777 -39.671 1.00 0.00 H new ATOM 173 N GLY A 13 19.056 7.019 -37.258 1.00 0.00 N ATOM 174 CA GLY A 13 18.861 7.245 -35.837 1.00 0.00 C ATOM 175 C GLY A 13 19.215 8.682 -35.470 1.00 0.00 C ATOM 176 O GLY A 13 19.398 9.530 -36.344 1.00 0.00 O ATOM 0 H GLY A 13 18.192 6.856 -37.775 1.00 0.00 H new ATOM 0 HA2 GLY A 13 17.824 7.040 -35.569 1.00 0.00 H new ATOM 0 HA3 GLY A 13 19.480 6.554 -35.265 1.00 0.00 H new ATOM 180 N LEU A 14 19.319 8.967 -34.170 1.00 0.00 N ATOM 181 CA LEU A 14 19.756 10.280 -33.725 1.00 0.00 C ATOM 182 C LEU A 14 21.226 10.471 -34.107 1.00 0.00 C ATOM 183 O LEU A 14 22.020 9.536 -33.997 1.00 0.00 O ATOM 184 CB LEU A 14 19.538 10.414 -32.211 1.00 0.00 C ATOM 185 CG LEU A 14 20.108 11.724 -31.658 1.00 0.00 C ATOM 186 CD1 LEU A 14 19.346 12.925 -32.214 1.00 0.00 C ATOM 187 CD2 LEU A 14 19.985 11.739 -30.138 1.00 0.00 C ATOM 0 H LEU A 14 19.108 8.310 -33.419 1.00 0.00 H new ATOM 0 HA LEU A 14 19.171 11.061 -34.211 1.00 0.00 H new ATOM 0 HB2 LEU A 14 18.471 10.363 -31.993 1.00 0.00 H new ATOM 0 HB3 LEU A 14 20.007 9.572 -31.702 1.00 0.00 H new ATOM 0 HG LEU A 14 21.154 11.789 -31.957 1.00 0.00 H new ATOM 0 HD11 LEU A 14 19.768 13.844 -31.807 1.00 0.00 H new ATOM 0 HD12 LEU A 14 19.429 12.937 -33.301 1.00 0.00 H new ATOM 0 HD13 LEU A 14 18.296 12.852 -31.931 1.00 0.00 H new ATOM 0 HD21 LEU A 14 20.392 12.673 -29.749 1.00 0.00 H new ATOM 0 HD22 LEU A 14 18.935 11.656 -29.857 1.00 0.00 H new ATOM 0 HD23 LEU A 14 20.540 10.899 -29.720 1.00 0.00 H new ATOM 199 N VAL A 15 21.592 11.675 -34.552 1.00 0.00 N ATOM 200 CA VAL A 15 22.961 11.966 -34.950 1.00 0.00 C ATOM 201 C VAL A 15 23.928 11.867 -33.768 1.00 0.00 C ATOM 202 O VAL A 15 23.651 12.426 -32.707 1.00 0.00 O ATOM 203 CB VAL A 15 23.020 13.315 -35.688 1.00 0.00 C ATOM 204 CG1 VAL A 15 22.891 14.498 -34.725 1.00 0.00 C ATOM 205 CG2 VAL A 15 24.328 13.465 -36.462 1.00 0.00 C ATOM 0 H VAL A 15 20.952 12.464 -34.644 1.00 0.00 H new ATOM 0 HA VAL A 15 23.298 11.205 -35.654 1.00 0.00 H new ATOM 0 HB VAL A 15 22.177 13.322 -36.379 1.00 0.00 H new ATOM 0 HG11 VAL A 15 22.938 15.431 -35.287 1.00 0.00 H new ATOM 0 HG12 VAL A 15 21.938 14.438 -34.200 1.00 0.00 H new ATOM 0 HG13 VAL A 15 23.706 14.469 -34.002 1.00 0.00 H new ATOM 0 HG21 VAL A 15 24.340 14.428 -36.973 1.00 0.00 H new ATOM 0 HG22 VAL A 15 25.168 13.411 -35.770 1.00 0.00 H new ATOM 0 HG23 VAL A 15 24.410 12.664 -37.196 1.00 0.00 H new ATOM 215 N PRO A 16 25.063 11.170 -33.923 1.00 0.00 N ATOM 216 CA PRO A 16 26.029 10.970 -32.851 1.00 0.00 C ATOM 217 C PRO A 16 26.732 12.275 -32.457 1.00 0.00 C ATOM 218 O PRO A 16 27.398 12.337 -31.425 1.00 0.00 O ATOM 219 CB PRO A 16 27.026 9.950 -33.398 1.00 0.00 C ATOM 220 CG PRO A 16 26.976 10.186 -34.905 1.00 0.00 C ATOM 221 CD PRO A 16 25.503 10.505 -35.133 1.00 0.00 C ATOM 0 HA PRO A 16 25.542 10.621 -31.940 1.00 0.00 H new ATOM 0 HB2 PRO A 16 28.027 10.111 -32.998 1.00 0.00 H new ATOM 0 HB3 PRO A 16 26.741 8.930 -33.141 1.00 0.00 H new ATOM 0 HG2 PRO A 16 27.623 11.009 -35.210 1.00 0.00 H new ATOM 0 HG3 PRO A 16 27.294 9.307 -35.465 1.00 0.00 H new ATOM 0 HD2 PRO A 16 25.370 11.146 -36.005 1.00 0.00 H new ATOM 0 HD3 PRO A 16 24.928 9.597 -35.314 1.00 0.00 H new ATOM 229 N ARG A 17 26.587 13.321 -33.276 1.00 0.00 N ATOM 230 CA ARG A 17 27.153 14.632 -32.981 1.00 0.00 C ATOM 231 C ARG A 17 26.407 15.291 -31.823 1.00 0.00 C ATOM 232 O ARG A 17 26.961 16.160 -31.147 1.00 0.00 O ATOM 233 CB ARG A 17 27.130 15.476 -34.264 1.00 0.00 C ATOM 234 CG ARG A 17 27.665 16.896 -34.068 1.00 0.00 C ATOM 235 CD ARG A 17 26.551 17.877 -33.681 1.00 0.00 C ATOM 236 NE ARG A 17 27.087 19.234 -33.515 1.00 0.00 N ATOM 237 CZ ARG A 17 27.625 19.701 -32.386 1.00 0.00 C ATOM 238 NH1 ARG A 17 27.717 18.935 -31.302 1.00 0.00 N ATOM 239 NH2 ARG A 17 28.079 20.949 -32.336 1.00 0.00 N ATOM 0 H ARG A 17 26.075 13.279 -34.157 1.00 0.00 H new ATOM 0 HA ARG A 17 28.189 14.537 -32.656 1.00 0.00 H new ATOM 0 HB2 ARG A 17 27.722 14.975 -35.030 1.00 0.00 H new ATOM 0 HB3 ARG A 17 26.107 15.529 -34.636 1.00 0.00 H new ATOM 0 HG2 ARG A 17 28.431 16.892 -33.293 1.00 0.00 H new ATOM 0 HG3 ARG A 17 28.144 17.234 -34.987 1.00 0.00 H new ATOM 0 HD2 ARG A 17 25.778 17.878 -34.449 1.00 0.00 H new ATOM 0 HD3 ARG A 17 26.079 17.551 -32.754 1.00 0.00 H new ATOM 0 HE ARG A 17 27.045 19.863 -34.317 1.00 0.00 H new ATOM 0 HH11 ARG A 17 27.374 17.975 -31.325 1.00 0.00 H new ATOM 0 HH12 ARG A 17 28.131 19.308 -30.448 1.00 0.00 H new ATOM 0 HH21 ARG A 17 28.016 21.548 -33.159 1.00 0.00 H new ATOM 0 HH22 ARG A 17 28.490 21.308 -31.474 1.00 0.00 H new ATOM 253 N GLY A 18 25.156 14.886 -31.589 1.00 0.00 N ATOM 254 CA GLY A 18 24.359 15.433 -30.505 1.00 0.00 C ATOM 255 C GLY A 18 24.417 14.523 -29.285 1.00 0.00 C ATOM 256 O GLY A 18 24.889 14.936 -28.224 1.00 0.00 O ATOM 0 H GLY A 18 24.677 14.176 -32.144 1.00 0.00 H new ATOM 0 HA2 GLY A 18 24.725 16.426 -30.243 1.00 0.00 H new ATOM 0 HA3 GLY A 18 23.325 15.550 -30.830 1.00 0.00 H new ATOM 260 N SER A 19 23.939 13.282 -29.428 1.00 0.00 N ATOM 261 CA SER A 19 23.926 12.294 -28.355 1.00 0.00 C ATOM 262 C SER A 19 23.834 10.881 -28.920 1.00 0.00 C ATOM 263 O SER A 19 23.322 10.681 -30.020 1.00 0.00 O ATOM 264 CB SER A 19 22.743 12.540 -27.418 1.00 0.00 C ATOM 265 OG SER A 19 23.002 13.634 -26.561 1.00 0.00 O ATOM 0 H SER A 19 23.547 12.936 -30.304 1.00 0.00 H new ATOM 0 HA SER A 19 24.858 12.394 -27.798 1.00 0.00 H new ATOM 0 HB2 SER A 19 21.844 12.735 -28.003 1.00 0.00 H new ATOM 0 HB3 SER A 19 22.550 11.646 -26.826 1.00 0.00 H new ATOM 0 HG SER A 19 23.751 14.157 -26.915 1.00 0.00 H new ATOM 271 N HIS A 20 24.330 9.897 -28.164 1.00 0.00 N ATOM 272 CA HIS A 20 24.281 8.496 -28.567 1.00 0.00 C ATOM 273 C HIS A 20 23.078 7.782 -27.952 1.00 0.00 C ATOM 274 O HIS A 20 22.751 6.667 -28.358 1.00 0.00 O ATOM 275 CB HIS A 20 25.585 7.819 -28.141 1.00 0.00 C ATOM 276 CG HIS A 20 26.812 8.526 -28.651 1.00 0.00 C ATOM 277 ND1 HIS A 20 27.197 8.615 -29.994 1.00 0.00 N ATOM 278 CD2 HIS A 20 27.739 9.156 -27.873 1.00 0.00 C ATOM 279 CE1 HIS A 20 28.347 9.311 -29.984 1.00 0.00 C ATOM 280 NE2 HIS A 20 28.693 9.649 -28.728 1.00 0.00 N ATOM 0 H HIS A 20 24.774 10.052 -27.259 1.00 0.00 H new ATOM 0 HA HIS A 20 24.169 8.439 -29.650 1.00 0.00 H new ATOM 0 HB2 HIS A 20 25.625 7.774 -27.053 1.00 0.00 H new ATOM 0 HB3 HIS A 20 25.589 6.791 -28.503 1.00 0.00 H new ATOM 0 HD2 HIS A 20 27.725 9.249 -26.797 1.00 0.00 H new ATOM 0 HE1 HIS A 20 28.917 9.565 -30.866 1.00 0.00 H new ATOM 0 HE2 HIS A 20 29.521 10.180 -28.458 1.00 0.00 H new ATOM 288 N MET A 21 22.420 8.417 -26.977 1.00 0.00 N ATOM 289 CA MET A 21 21.266 7.853 -26.295 1.00 0.00 C ATOM 290 C MET A 21 20.023 7.912 -27.178 1.00 0.00 C ATOM 291 O MET A 21 19.978 8.655 -28.158 1.00 0.00 O ATOM 292 CB MET A 21 21.019 8.596 -24.977 1.00 0.00 C ATOM 293 CG MET A 21 22.212 8.479 -24.026 1.00 0.00 C ATOM 294 SD MET A 21 23.624 9.548 -24.410 1.00 0.00 S ATOM 295 CE MET A 21 22.917 11.161 -23.991 1.00 0.00 C ATOM 0 H MET A 21 22.681 9.344 -26.641 1.00 0.00 H new ATOM 0 HA MET A 21 21.476 6.805 -26.079 1.00 0.00 H new ATOM 0 HB2 MET A 21 20.821 9.648 -25.184 1.00 0.00 H new ATOM 0 HB3 MET A 21 20.129 8.193 -24.494 1.00 0.00 H new ATOM 0 HG2 MET A 21 21.872 8.705 -23.015 1.00 0.00 H new ATOM 0 HG3 MET A 21 22.553 7.444 -24.024 1.00 0.00 H new ATOM 0 HE1 MET A 21 23.679 11.932 -24.101 1.00 0.00 H new ATOM 0 HE2 MET A 21 22.083 11.377 -24.658 1.00 0.00 H new ATOM 0 HE3 MET A 21 22.563 11.146 -22.960 1.00 0.00 H new ATOM 305 N GLN A 22 19.006 7.122 -26.823 1.00 0.00 N ATOM 306 CA GLN A 22 17.744 7.088 -27.544 1.00 0.00 C ATOM 307 C GLN A 22 17.015 8.428 -27.431 1.00 0.00 C ATOM 308 O GLN A 22 17.173 9.144 -26.442 1.00 0.00 O ATOM 309 CB GLN A 22 16.863 5.938 -27.038 1.00 0.00 C ATOM 310 CG GLN A 22 16.491 6.046 -25.554 1.00 0.00 C ATOM 311 CD GLN A 22 17.640 5.714 -24.604 1.00 0.00 C ATOM 312 OE1 GLN A 22 17.741 6.292 -23.525 1.00 0.00 O ATOM 313 NE2 GLN A 22 18.516 4.784 -24.975 1.00 0.00 N ATOM 0 H GLN A 22 19.041 6.489 -26.024 1.00 0.00 H new ATOM 0 HA GLN A 22 17.958 6.912 -28.598 1.00 0.00 H new ATOM 0 HB2 GLN A 22 15.948 5.906 -27.630 1.00 0.00 H new ATOM 0 HB3 GLN A 22 17.383 4.995 -27.204 1.00 0.00 H new ATOM 0 HG2 GLN A 22 16.144 7.059 -25.349 1.00 0.00 H new ATOM 0 HG3 GLN A 22 15.657 5.375 -25.349 1.00 0.00 H new ATOM 0 HE21 GLN A 22 18.413 4.317 -25.876 1.00 0.00 H new ATOM 0 HE22 GLN A 22 19.291 4.538 -24.359 1.00 0.00 H new ATOM 322 N LYS A 23 16.211 8.762 -28.447 1.00 0.00 N ATOM 323 CA LYS A 23 15.434 9.987 -28.488 1.00 0.00 C ATOM 324 C LYS A 23 14.168 9.743 -29.304 1.00 0.00 C ATOM 325 O LYS A 23 14.195 9.017 -30.297 1.00 0.00 O ATOM 326 CB LYS A 23 16.336 11.093 -29.052 1.00 0.00 C ATOM 327 CG LYS A 23 15.631 12.421 -29.324 1.00 0.00 C ATOM 328 CD LYS A 23 15.050 12.417 -30.737 1.00 0.00 C ATOM 329 CE LYS A 23 14.593 13.818 -31.150 1.00 0.00 C ATOM 330 NZ LYS A 23 13.583 14.366 -30.221 1.00 0.00 N ATOM 0 H LYS A 23 16.086 8.174 -29.271 1.00 0.00 H new ATOM 0 HA LYS A 23 15.102 10.307 -27.500 1.00 0.00 H new ATOM 0 HB2 LYS A 23 17.152 11.268 -28.352 1.00 0.00 H new ATOM 0 HB3 LYS A 23 16.783 10.739 -29.981 1.00 0.00 H new ATOM 0 HG2 LYS A 23 14.837 12.578 -28.594 1.00 0.00 H new ATOM 0 HG3 LYS A 23 16.334 13.246 -29.212 1.00 0.00 H new ATOM 0 HD2 LYS A 23 15.799 12.054 -31.440 1.00 0.00 H new ATOM 0 HD3 LYS A 23 14.207 11.728 -30.785 1.00 0.00 H new ATOM 0 HE2 LYS A 23 15.454 14.485 -31.184 1.00 0.00 H new ATOM 0 HE3 LYS A 23 14.178 13.782 -32.157 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 13.250 15.286 -30.573 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 12.779 13.709 -30.155 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 14.008 14.489 -29.280 1.00 0.00 H new ATOM 344 N GLU A 24 13.064 10.348 -28.878 1.00 0.00 N ATOM 345 CA GLU A 24 11.747 10.081 -29.435 1.00 0.00 C ATOM 346 C GLU A 24 11.320 11.169 -30.416 1.00 0.00 C ATOM 347 O GLU A 24 11.747 12.319 -30.307 1.00 0.00 O ATOM 348 CB GLU A 24 10.731 9.966 -28.300 1.00 0.00 C ATOM 349 CG GLU A 24 11.254 9.090 -27.155 1.00 0.00 C ATOM 350 CD GLU A 24 12.145 9.843 -26.165 1.00 0.00 C ATOM 351 OE1 GLU A 24 12.356 11.062 -26.351 1.00 0.00 O ATOM 352 OE2 GLU A 24 12.618 9.183 -25.213 1.00 0.00 O ATOM 0 H GLU A 24 13.060 11.042 -28.131 1.00 0.00 H new ATOM 0 HA GLU A 24 11.792 9.142 -29.987 1.00 0.00 H new ATOM 0 HB2 GLU A 24 10.497 10.960 -27.919 1.00 0.00 H new ATOM 0 HB3 GLU A 24 9.802 9.545 -28.685 1.00 0.00 H new ATOM 0 HG2 GLU A 24 10.406 8.665 -26.617 1.00 0.00 H new ATOM 0 HG3 GLU A 24 11.816 8.256 -27.575 1.00 0.00 H new ATOM 359 N GLY A 25 10.469 10.802 -31.373 1.00 0.00 N ATOM 360 CA GLY A 25 9.909 11.730 -32.341 1.00 0.00 C ATOM 361 C GLY A 25 8.737 12.515 -31.756 1.00 0.00 C ATOM 362 O GLY A 25 8.548 12.543 -30.538 1.00 0.00 O ATOM 0 H GLY A 25 10.149 9.841 -31.495 1.00 0.00 H new ATOM 0 HA2 GLY A 25 10.683 12.423 -32.671 1.00 0.00 H new ATOM 0 HA3 GLY A 25 9.576 11.181 -33.222 1.00 0.00 H new ATOM 366 N PRO A 26 7.939 13.157 -32.620 1.00 0.00 N ATOM 367 CA PRO A 26 6.764 13.910 -32.218 1.00 0.00 C ATOM 368 C PRO A 26 5.681 12.966 -31.709 1.00 0.00 C ATOM 369 O PRO A 26 5.789 11.746 -31.837 1.00 0.00 O ATOM 370 CB PRO A 26 6.320 14.651 -33.480 1.00 0.00 C ATOM 371 CG PRO A 26 6.786 13.725 -34.603 1.00 0.00 C ATOM 372 CD PRO A 26 8.105 13.184 -34.060 1.00 0.00 C ATOM 0 HA PRO A 26 6.968 14.604 -31.402 1.00 0.00 H new ATOM 0 HB2 PRO A 26 5.241 14.800 -33.502 1.00 0.00 H new ATOM 0 HB3 PRO A 26 6.780 15.637 -33.552 1.00 0.00 H new ATOM 0 HG2 PRO A 26 6.069 12.927 -34.795 1.00 0.00 H new ATOM 0 HG3 PRO A 26 6.923 14.262 -35.541 1.00 0.00 H new ATOM 0 HD2 PRO A 26 8.313 12.188 -34.451 1.00 0.00 H new ATOM 0 HD3 PRO A 26 8.941 13.821 -34.348 1.00 0.00 H new ATOM 380 N GLU A 27 4.619 13.524 -31.122 1.00 0.00 N ATOM 381 CA GLU A 27 3.524 12.714 -30.614 1.00 0.00 C ATOM 382 C GLU A 27 2.833 11.989 -31.765 1.00 0.00 C ATOM 383 O GLU A 27 2.626 12.565 -32.831 1.00 0.00 O ATOM 384 CB GLU A 27 2.548 13.598 -29.831 1.00 0.00 C ATOM 385 CG GLU A 27 1.430 12.758 -29.207 1.00 0.00 C ATOM 386 CD GLU A 27 0.522 13.592 -28.297 1.00 0.00 C ATOM 387 OE1 GLU A 27 0.730 14.823 -28.216 1.00 0.00 O ATOM 388 OE2 GLU A 27 -0.383 12.977 -27.687 1.00 0.00 O ATOM 0 H GLU A 27 4.500 14.528 -30.990 1.00 0.00 H new ATOM 0 HA GLU A 27 3.911 11.956 -29.933 1.00 0.00 H new ATOM 0 HB2 GLU A 27 3.085 14.135 -29.049 1.00 0.00 H new ATOM 0 HB3 GLU A 27 2.118 14.348 -30.495 1.00 0.00 H new ATOM 0 HG2 GLU A 27 0.832 12.305 -29.998 1.00 0.00 H new ATOM 0 HG3 GLU A 27 1.868 11.942 -28.632 1.00 0.00 H new ATOM 395 N GLY A 28 2.481 10.718 -31.548 1.00 0.00 N ATOM 396 CA GLY A 28 1.820 9.901 -32.552 1.00 0.00 C ATOM 397 C GLY A 28 2.811 9.206 -33.488 1.00 0.00 C ATOM 398 O GLY A 28 2.395 8.456 -34.373 1.00 0.00 O ATOM 0 H GLY A 28 2.650 10.232 -30.667 1.00 0.00 H new ATOM 0 HA2 GLY A 28 1.205 9.150 -32.057 1.00 0.00 H new ATOM 0 HA3 GLY A 28 1.148 10.526 -33.140 1.00 0.00 H new ATOM 402 N ALA A 29 4.115 9.448 -33.305 1.00 0.00 N ATOM 403 CA ALA A 29 5.159 8.870 -34.142 1.00 0.00 C ATOM 404 C ALA A 29 5.927 7.755 -33.427 1.00 0.00 C ATOM 405 O ALA A 29 6.988 7.341 -33.896 1.00 0.00 O ATOM 406 CB ALA A 29 6.092 9.988 -34.609 1.00 0.00 C ATOM 0 H ALA A 29 4.471 10.054 -32.566 1.00 0.00 H new ATOM 0 HA ALA A 29 4.693 8.400 -35.008 1.00 0.00 H new ATOM 0 HB1 ALA A 29 6.878 9.568 -35.237 1.00 0.00 H new ATOM 0 HB2 ALA A 29 5.524 10.721 -35.182 1.00 0.00 H new ATOM 0 HB3 ALA A 29 6.541 10.473 -33.742 1.00 0.00 H new ATOM 412 N ASN A 30 5.413 7.266 -32.295 1.00 0.00 N ATOM 413 CA ASN A 30 6.094 6.258 -31.492 1.00 0.00 C ATOM 414 C ASN A 30 5.302 4.952 -31.503 1.00 0.00 C ATOM 415 O ASN A 30 4.076 4.974 -31.413 1.00 0.00 O ATOM 416 CB ASN A 30 6.276 6.798 -30.072 1.00 0.00 C ATOM 417 CG ASN A 30 7.009 8.131 -30.085 1.00 0.00 C ATOM 418 OD1 ASN A 30 8.122 8.228 -30.595 1.00 0.00 O ATOM 419 ND2 ASN A 30 6.394 9.168 -29.526 1.00 0.00 N ATOM 0 H ASN A 30 4.514 7.560 -31.914 1.00 0.00 H new ATOM 0 HA ASN A 30 7.077 6.043 -31.911 1.00 0.00 H new ATOM 0 HB2 ASN A 30 5.302 6.919 -29.598 1.00 0.00 H new ATOM 0 HB3 ASN A 30 6.834 6.078 -29.474 1.00 0.00 H new ATOM 0 HD21 ASN A 30 6.847 10.082 -29.511 1.00 0.00 H new ATOM 0 HD22 ASN A 30 5.469 9.050 -29.112 1.00 0.00 H new ATOM 426 N LEU A 31 5.993 3.815 -31.612 1.00 0.00 N ATOM 427 CA LEU A 31 5.351 2.520 -31.761 1.00 0.00 C ATOM 428 C LEU A 31 5.761 1.524 -30.689 1.00 0.00 C ATOM 429 O LEU A 31 6.822 1.625 -30.075 1.00 0.00 O ATOM 430 CB LEU A 31 5.679 1.911 -33.127 1.00 0.00 C ATOM 431 CG LEU A 31 5.241 2.760 -34.317 1.00 0.00 C ATOM 432 CD1 LEU A 31 5.485 1.940 -35.580 1.00 0.00 C ATOM 433 CD2 LEU A 31 3.755 3.097 -34.248 1.00 0.00 C ATOM 0 H LEU A 31 7.012 3.773 -31.599 1.00 0.00 H new ATOM 0 HA LEU A 31 4.282 2.707 -31.664 1.00 0.00 H new ATOM 0 HB2 LEU A 31 6.755 1.747 -33.189 1.00 0.00 H new ATOM 0 HB3 LEU A 31 5.203 0.933 -33.199 1.00 0.00 H new ATOM 0 HG LEU A 31 5.805 3.693 -34.314 1.00 0.00 H new ATOM 0 HD11 LEU A 31 5.182 2.518 -36.453 1.00 0.00 H new ATOM 0 HD12 LEU A 31 6.545 1.696 -35.656 1.00 0.00 H new ATOM 0 HD13 LEU A 31 4.903 1.020 -35.534 1.00 0.00 H new ATOM 0 HD21 LEU A 31 3.479 3.702 -35.111 1.00 0.00 H new ATOM 0 HD22 LEU A 31 3.173 2.176 -34.249 1.00 0.00 H new ATOM 0 HD23 LEU A 31 3.550 3.654 -33.334 1.00 0.00 H new ATOM 445 N PHE A 32 4.873 0.552 -30.494 1.00 0.00 N ATOM 446 CA PHE A 32 5.054 -0.609 -29.645 1.00 0.00 C ATOM 447 C PHE A 32 5.024 -1.927 -30.389 1.00 0.00 C ATOM 448 O PHE A 32 4.253 -2.072 -31.332 1.00 0.00 O ATOM 449 CB PHE A 32 4.114 -0.597 -28.445 1.00 0.00 C ATOM 450 CG PHE A 32 4.633 0.211 -27.292 1.00 0.00 C ATOM 451 CD1 PHE A 32 4.774 1.596 -27.415 1.00 0.00 C ATOM 452 CD2 PHE A 32 4.980 -0.433 -26.104 1.00 0.00 C ATOM 453 CE1 PHE A 32 5.296 2.338 -26.348 1.00 0.00 C ATOM 454 CE2 PHE A 32 5.475 0.310 -25.029 1.00 0.00 C ATOM 455 CZ PHE A 32 5.645 1.696 -25.152 1.00 0.00 C ATOM 0 H PHE A 32 3.961 0.559 -30.951 1.00 0.00 H new ATOM 0 HA PHE A 32 6.070 -0.526 -29.258 1.00 0.00 H new ATOM 0 HB2 PHE A 32 3.148 -0.198 -28.753 1.00 0.00 H new ATOM 0 HB3 PHE A 32 3.945 -1.622 -28.114 1.00 0.00 H new ATOM 0 HD1 PHE A 32 4.482 2.092 -28.329 1.00 0.00 H new ATOM 0 HD2 PHE A 32 4.866 -1.503 -26.015 1.00 0.00 H new ATOM 0 HE1 PHE A 32 5.430 3.405 -26.447 1.00 0.00 H new ATOM 0 HE2 PHE A 32 5.727 -0.184 -24.102 1.00 0.00 H new ATOM 0 HZ PHE A 32 6.044 2.268 -24.327 1.00 0.00 H new ATOM 465 N ILE A 33 5.851 -2.882 -29.971 1.00 0.00 N ATOM 466 CA ILE A 33 5.924 -4.185 -30.606 1.00 0.00 C ATOM 467 C ILE A 33 6.012 -5.233 -29.505 1.00 0.00 C ATOM 468 O ILE A 33 6.859 -5.117 -28.623 1.00 0.00 O ATOM 469 CB ILE A 33 7.135 -4.268 -31.547 1.00 0.00 C ATOM 470 CG1 ILE A 33 7.315 -3.038 -32.450 1.00 0.00 C ATOM 471 CG2 ILE A 33 6.990 -5.503 -32.446 1.00 0.00 C ATOM 472 CD1 ILE A 33 8.088 -1.899 -31.782 1.00 0.00 C ATOM 0 H ILE A 33 6.487 -2.769 -29.182 1.00 0.00 H new ATOM 0 HA ILE A 33 5.038 -4.358 -31.216 1.00 0.00 H new ATOM 0 HB ILE A 33 8.013 -4.325 -30.904 1.00 0.00 H new ATOM 0 HG12 ILE A 33 7.838 -3.337 -33.359 1.00 0.00 H new ATOM 0 HG13 ILE A 33 6.334 -2.672 -32.752 1.00 0.00 H new ATOM 0 HG21 ILE A 33 7.847 -5.568 -33.117 1.00 0.00 H new ATOM 0 HG22 ILE A 33 6.945 -6.400 -31.828 1.00 0.00 H new ATOM 0 HG23 ILE A 33 6.075 -5.420 -33.033 1.00 0.00 H new ATOM 0 HD11 ILE A 33 8.178 -1.064 -32.476 1.00 0.00 H new ATOM 0 HD12 ILE A 33 7.555 -1.573 -30.889 1.00 0.00 H new ATOM 0 HD13 ILE A 33 9.083 -2.248 -31.504 1.00 0.00 H new ATOM 484 N TYR A 34 5.150 -6.249 -29.545 1.00 0.00 N ATOM 485 CA TYR A 34 5.111 -7.279 -28.516 1.00 0.00 C ATOM 486 C TYR A 34 5.068 -8.629 -29.232 1.00 0.00 C ATOM 487 O TYR A 34 4.905 -8.706 -30.449 1.00 0.00 O ATOM 488 CB TYR A 34 3.830 -7.110 -27.692 1.00 0.00 C ATOM 489 CG TYR A 34 3.425 -5.695 -27.334 1.00 0.00 C ATOM 490 CD1 TYR A 34 2.618 -4.955 -28.209 1.00 0.00 C ATOM 491 CD2 TYR A 34 3.831 -5.127 -26.117 1.00 0.00 C ATOM 492 CE1 TYR A 34 2.177 -3.675 -27.849 1.00 0.00 C ATOM 493 CE2 TYR A 34 3.406 -3.840 -25.755 1.00 0.00 C ATOM 494 CZ TYR A 34 2.562 -3.115 -26.615 1.00 0.00 C ATOM 495 OH TYR A 34 2.116 -1.878 -26.261 1.00 0.00 O ATOM 0 H TYR A 34 4.464 -6.378 -30.289 1.00 0.00 H new ATOM 0 HA TYR A 34 5.977 -7.211 -27.857 1.00 0.00 H new ATOM 0 HB2 TYR A 34 3.009 -7.568 -28.244 1.00 0.00 H new ATOM 0 HB3 TYR A 34 3.946 -7.674 -26.766 1.00 0.00 H new ATOM 0 HD1 TYR A 34 2.335 -5.373 -29.164 1.00 0.00 H new ATOM 0 HD2 TYR A 34 4.476 -5.685 -25.454 1.00 0.00 H new ATOM 0 HE1 TYR A 34 1.540 -3.116 -28.519 1.00 0.00 H new ATOM 0 HE2 TYR A 34 3.726 -3.407 -24.819 1.00 0.00 H new ATOM 0 HH TYR A 34 2.878 -1.267 -26.177 1.00 0.00 H new ATOM 505 N HIS A 35 5.215 -9.695 -28.437 1.00 0.00 N ATOM 506 CA HIS A 35 5.245 -11.094 -28.864 1.00 0.00 C ATOM 507 C HIS A 35 6.557 -11.475 -29.552 1.00 0.00 C ATOM 508 O HIS A 35 6.609 -12.457 -30.293 1.00 0.00 O ATOM 509 CB HIS A 35 4.015 -11.473 -29.701 1.00 0.00 C ATOM 510 CG HIS A 35 2.678 -11.128 -29.103 1.00 0.00 C ATOM 511 ND1 HIS A 35 1.458 -11.296 -29.731 1.00 0.00 N ATOM 512 CD2 HIS A 35 2.437 -10.618 -27.859 1.00 0.00 C ATOM 513 CE1 HIS A 35 0.491 -10.904 -28.882 1.00 0.00 C ATOM 514 NE2 HIS A 35 1.066 -10.488 -27.736 1.00 0.00 N ATOM 0 H HIS A 35 5.321 -9.598 -27.427 1.00 0.00 H new ATOM 0 HA HIS A 35 5.198 -11.690 -27.953 1.00 0.00 H new ATOM 0 HB2 HIS A 35 4.095 -10.982 -30.671 1.00 0.00 H new ATOM 0 HB3 HIS A 35 4.042 -12.547 -29.885 1.00 0.00 H new ATOM 0 HD1 HIS A 35 1.316 -11.655 -30.675 1.00 0.00 H new ATOM 0 HD2 HIS A 35 3.176 -10.365 -27.114 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -0.570 -10.920 -29.085 1.00 0.00 H new ATOM 0 HE2 HIS A 35 0.572 -10.136 -26.916 1.00 0.00 H new ATOM 523 N LEU A 36 7.616 -10.700 -29.313 1.00 0.00 N ATOM 524 CA LEU A 36 8.932 -10.955 -29.877 1.00 0.00 C ATOM 525 C LEU A 36 9.545 -12.195 -29.230 1.00 0.00 C ATOM 526 O LEU A 36 9.364 -12.410 -28.030 1.00 0.00 O ATOM 527 CB LEU A 36 9.865 -9.771 -29.597 1.00 0.00 C ATOM 528 CG LEU A 36 9.551 -8.475 -30.348 1.00 0.00 C ATOM 529 CD1 LEU A 36 9.725 -8.645 -31.852 1.00 0.00 C ATOM 530 CD2 LEU A 36 8.148 -7.955 -30.078 1.00 0.00 C ATOM 0 H LEU A 36 7.579 -9.873 -28.717 1.00 0.00 H new ATOM 0 HA LEU A 36 8.819 -11.101 -30.951 1.00 0.00 H new ATOM 0 HB2 LEU A 36 9.843 -9.562 -28.527 1.00 0.00 H new ATOM 0 HB3 LEU A 36 10.884 -10.071 -29.842 1.00 0.00 H new ATOM 0 HG LEU A 36 10.266 -7.744 -29.970 1.00 0.00 H new ATOM 0 HD11 LEU A 36 9.494 -7.705 -32.354 1.00 0.00 H new ATOM 0 HD12 LEU A 36 10.755 -8.929 -32.069 1.00 0.00 H new ATOM 0 HD13 LEU A 36 9.051 -9.423 -32.211 1.00 0.00 H new ATOM 0 HD21 LEU A 36 7.987 -7.034 -30.639 1.00 0.00 H new ATOM 0 HD22 LEU A 36 7.417 -8.702 -30.388 1.00 0.00 H new ATOM 0 HD23 LEU A 36 8.033 -7.755 -29.013 1.00 0.00 H new ATOM 542 N PRO A 37 10.271 -13.015 -30.000 1.00 0.00 N ATOM 543 CA PRO A 37 11.080 -14.101 -29.477 1.00 0.00 C ATOM 544 C PRO A 37 12.351 -13.519 -28.851 1.00 0.00 C ATOM 545 O PRO A 37 12.711 -12.372 -29.117 1.00 0.00 O ATOM 546 CB PRO A 37 11.387 -14.979 -30.685 1.00 0.00 C ATOM 547 CG PRO A 37 11.463 -13.958 -31.821 1.00 0.00 C ATOM 548 CD PRO A 37 10.381 -12.947 -31.446 1.00 0.00 C ATOM 0 HA PRO A 37 10.584 -14.679 -28.698 1.00 0.00 H new ATOM 0 HB2 PRO A 37 12.324 -15.523 -30.564 1.00 0.00 H new ATOM 0 HB3 PRO A 37 10.607 -15.721 -30.857 1.00 0.00 H new ATOM 0 HG2 PRO A 37 12.447 -13.493 -31.881 1.00 0.00 H new ATOM 0 HG3 PRO A 37 11.268 -14.417 -32.790 1.00 0.00 H new ATOM 0 HD2 PRO A 37 10.652 -11.943 -31.772 1.00 0.00 H new ATOM 0 HD3 PRO A 37 9.432 -13.192 -31.924 1.00 0.00 H new ATOM 556 N GLN A 38 13.041 -14.304 -28.018 1.00 0.00 N ATOM 557 CA GLN A 38 14.218 -13.823 -27.304 1.00 0.00 C ATOM 558 C GLN A 38 15.444 -13.673 -28.208 1.00 0.00 C ATOM 559 O GLN A 38 16.462 -13.140 -27.768 1.00 0.00 O ATOM 560 CB GLN A 38 14.531 -14.735 -26.117 1.00 0.00 C ATOM 561 CG GLN A 38 13.527 -14.502 -24.986 1.00 0.00 C ATOM 562 CD GLN A 38 13.927 -15.246 -23.715 1.00 0.00 C ATOM 563 OE1 GLN A 38 14.334 -16.404 -23.760 1.00 0.00 O ATOM 564 NE2 GLN A 38 13.816 -14.588 -22.563 1.00 0.00 N ATOM 0 H GLN A 38 12.801 -15.276 -27.824 1.00 0.00 H new ATOM 0 HA GLN A 38 13.979 -12.825 -26.938 1.00 0.00 H new ATOM 0 HB2 GLN A 38 14.497 -15.778 -26.433 1.00 0.00 H new ATOM 0 HB3 GLN A 38 15.543 -14.543 -25.759 1.00 0.00 H new ATOM 0 HG2 GLN A 38 13.456 -13.435 -24.776 1.00 0.00 H new ATOM 0 HG3 GLN A 38 12.538 -14.831 -25.304 1.00 0.00 H new ATOM 0 HE21 GLN A 38 13.475 -13.627 -22.556 1.00 0.00 H new ATOM 0 HE22 GLN A 38 14.072 -15.045 -21.688 1.00 0.00 H new ATOM 573 N GLU A 39 15.368 -14.135 -29.458 1.00 0.00 N ATOM 574 CA GLU A 39 16.464 -13.966 -30.405 1.00 0.00 C ATOM 575 C GLU A 39 16.499 -12.531 -30.947 1.00 0.00 C ATOM 576 O GLU A 39 17.461 -12.152 -31.610 1.00 0.00 O ATOM 577 CB GLU A 39 16.346 -15.000 -31.530 1.00 0.00 C ATOM 578 CG GLU A 39 15.022 -14.873 -32.279 1.00 0.00 C ATOM 579 CD GLU A 39 14.850 -15.961 -33.343 1.00 0.00 C ATOM 580 OE1 GLU A 39 13.758 -15.996 -33.950 1.00 0.00 O ATOM 581 OE2 GLU A 39 15.803 -16.747 -33.547 1.00 0.00 O ATOM 0 H GLU A 39 14.558 -14.628 -29.834 1.00 0.00 H new ATOM 0 HA GLU A 39 17.410 -14.136 -29.891 1.00 0.00 H new ATOM 0 HB2 GLU A 39 17.173 -14.873 -32.229 1.00 0.00 H new ATOM 0 HB3 GLU A 39 16.433 -16.003 -31.113 1.00 0.00 H new ATOM 0 HG2 GLU A 39 14.198 -14.930 -31.568 1.00 0.00 H new ATOM 0 HG3 GLU A 39 14.967 -13.893 -32.753 1.00 0.00 H new ATOM 588 N PHE A 40 15.462 -11.732 -30.667 1.00 0.00 N ATOM 589 CA PHE A 40 15.440 -10.310 -30.983 1.00 0.00 C ATOM 590 C PHE A 40 16.275 -9.420 -30.067 1.00 0.00 C ATOM 591 O PHE A 40 16.585 -9.791 -28.934 1.00 0.00 O ATOM 592 CB PHE A 40 14.022 -9.769 -31.176 1.00 0.00 C ATOM 593 CG PHE A 40 13.423 -10.009 -32.545 1.00 0.00 C ATOM 594 CD1 PHE A 40 12.876 -8.937 -33.267 1.00 0.00 C ATOM 595 CD2 PHE A 40 13.407 -11.297 -33.108 1.00 0.00 C ATOM 596 CE1 PHE A 40 12.311 -9.148 -34.532 1.00 0.00 C ATOM 597 CE2 PHE A 40 12.854 -11.506 -34.376 1.00 0.00 C ATOM 598 CZ PHE A 40 12.305 -10.433 -35.088 1.00 0.00 C ATOM 0 H PHE A 40 14.611 -12.063 -30.211 1.00 0.00 H new ATOM 0 HA PHE A 40 15.948 -10.255 -31.946 1.00 0.00 H new ATOM 0 HB2 PHE A 40 13.372 -10.223 -30.428 1.00 0.00 H new ATOM 0 HB3 PHE A 40 14.030 -8.696 -30.983 1.00 0.00 H new ATOM 0 HD1 PHE A 40 12.891 -7.943 -32.845 1.00 0.00 H new ATOM 0 HD2 PHE A 40 13.823 -12.129 -32.559 1.00 0.00 H new ATOM 0 HE1 PHE A 40 11.881 -8.321 -35.077 1.00 0.00 H new ATOM 0 HE2 PHE A 40 12.851 -12.497 -34.806 1.00 0.00 H new ATOM 0 HZ PHE A 40 11.877 -10.596 -36.066 1.00 0.00 H new ATOM 608 N GLY A 41 16.633 -8.237 -30.568 1.00 0.00 N ATOM 609 CA GLY A 41 17.363 -7.240 -29.807 1.00 0.00 C ATOM 610 C GLY A 41 17.101 -5.858 -30.392 1.00 0.00 C ATOM 611 O GLY A 41 16.439 -5.733 -31.421 1.00 0.00 O ATOM 0 H GLY A 41 16.419 -7.948 -31.523 1.00 0.00 H new ATOM 0 HA2 GLY A 41 17.055 -7.268 -28.762 1.00 0.00 H new ATOM 0 HA3 GLY A 41 18.430 -7.460 -29.830 1.00 0.00 H new ATOM 615 N ASP A 42 17.617 -4.811 -29.743 1.00 0.00 N ATOM 616 CA ASP A 42 17.389 -3.447 -30.187 1.00 0.00 C ATOM 617 C ASP A 42 17.910 -3.150 -31.588 1.00 0.00 C ATOM 618 O ASP A 42 17.308 -2.390 -32.342 1.00 0.00 O ATOM 619 CB ASP A 42 17.919 -2.440 -29.160 1.00 0.00 C ATOM 620 CG ASP A 42 19.306 -2.751 -28.596 1.00 0.00 C ATOM 621 OD1 ASP A 42 20.018 -3.603 -29.177 1.00 0.00 O ATOM 622 OD2 ASP A 42 19.637 -2.117 -27.570 1.00 0.00 O ATOM 0 H ASP A 42 18.196 -4.890 -28.907 1.00 0.00 H new ATOM 0 HA ASP A 42 16.307 -3.335 -30.259 1.00 0.00 H new ATOM 0 HB2 ASP A 42 17.946 -1.454 -29.623 1.00 0.00 H new ATOM 0 HB3 ASP A 42 17.212 -2.384 -28.332 1.00 0.00 H new ATOM 627 N GLN A 43 19.042 -3.765 -31.931 1.00 0.00 N ATOM 628 CA GLN A 43 19.649 -3.639 -33.246 1.00 0.00 C ATOM 629 C GLN A 43 18.875 -4.440 -34.291 1.00 0.00 C ATOM 630 O GLN A 43 18.858 -4.078 -35.466 1.00 0.00 O ATOM 631 CB GLN A 43 21.095 -4.141 -33.153 1.00 0.00 C ATOM 632 CG GLN A 43 21.861 -3.959 -34.466 1.00 0.00 C ATOM 633 CD GLN A 43 22.058 -2.492 -34.841 1.00 0.00 C ATOM 634 OE1 GLN A 43 21.782 -1.589 -34.059 1.00 0.00 O ATOM 635 NE2 GLN A 43 22.543 -2.242 -36.054 1.00 0.00 N ATOM 0 H GLN A 43 19.564 -4.368 -31.295 1.00 0.00 H new ATOM 0 HA GLN A 43 19.628 -2.595 -33.559 1.00 0.00 H new ATOM 0 HB2 GLN A 43 21.612 -3.606 -32.357 1.00 0.00 H new ATOM 0 HB3 GLN A 43 21.094 -5.196 -32.879 1.00 0.00 H new ATOM 0 HG2 GLN A 43 22.835 -4.441 -34.382 1.00 0.00 H new ATOM 0 HG3 GLN A 43 21.323 -4.465 -35.268 1.00 0.00 H new ATOM 0 HE21 GLN A 43 22.764 -3.013 -36.684 1.00 0.00 H new ATOM 0 HE22 GLN A 43 22.694 -1.279 -36.354 1.00 0.00 H new ATOM 644 N ASP A 44 18.231 -5.528 -33.866 1.00 0.00 N ATOM 645 CA ASP A 44 17.456 -6.368 -34.769 1.00 0.00 C ATOM 646 C ASP A 44 16.073 -5.818 -35.111 1.00 0.00 C ATOM 647 O ASP A 44 15.654 -5.877 -36.266 1.00 0.00 O ATOM 648 CB ASP A 44 17.376 -7.802 -34.243 1.00 0.00 C ATOM 649 CG ASP A 44 18.705 -8.552 -34.349 1.00 0.00 C ATOM 650 OD1 ASP A 44 18.724 -9.726 -33.914 1.00 0.00 O ATOM 651 OD2 ASP A 44 19.684 -7.965 -34.855 1.00 0.00 O ATOM 0 H ASP A 44 18.233 -5.846 -32.897 1.00 0.00 H new ATOM 0 HA ASP A 44 18.000 -6.367 -35.714 1.00 0.00 H new ATOM 0 HB2 ASP A 44 17.057 -7.784 -33.201 1.00 0.00 H new ATOM 0 HB3 ASP A 44 16.613 -8.346 -34.800 1.00 0.00 H new ATOM 656 N ILE A 45 15.358 -5.280 -34.117 1.00 0.00 N ATOM 657 CA ILE A 45 14.047 -4.693 -34.351 1.00 0.00 C ATOM 658 C ILE A 45 14.214 -3.387 -35.128 1.00 0.00 C ATOM 659 O ILE A 45 13.286 -2.939 -35.797 1.00 0.00 O ATOM 660 CB ILE A 45 13.336 -4.480 -33.006 1.00 0.00 C ATOM 661 CG1 ILE A 45 11.850 -4.186 -33.230 1.00 0.00 C ATOM 662 CG2 ILE A 45 13.984 -3.342 -32.215 1.00 0.00 C ATOM 663 CD1 ILE A 45 11.087 -4.194 -31.906 1.00 0.00 C ATOM 0 H ILE A 45 15.670 -5.242 -33.147 1.00 0.00 H new ATOM 0 HA ILE A 45 13.427 -5.361 -34.949 1.00 0.00 H new ATOM 0 HB ILE A 45 13.433 -5.397 -32.425 1.00 0.00 H new ATOM 0 HG12 ILE A 45 11.736 -3.216 -33.714 1.00 0.00 H new ATOM 0 HG13 ILE A 45 11.425 -4.930 -33.904 1.00 0.00 H new ATOM 0 HG21 ILE A 45 13.461 -3.213 -31.268 1.00 0.00 H new ATOM 0 HG22 ILE A 45 15.030 -3.582 -32.022 1.00 0.00 H new ATOM 0 HG23 ILE A 45 13.924 -2.418 -32.791 1.00 0.00 H new ATOM 0 HD11 ILE A 45 10.034 -3.983 -32.092 1.00 0.00 H new ATOM 0 HD12 ILE A 45 11.183 -5.173 -31.436 1.00 0.00 H new ATOM 0 HD13 ILE A 45 11.499 -3.432 -31.244 1.00 0.00 H new ATOM 675 N LEU A 46 15.399 -2.772 -35.045 1.00 0.00 N ATOM 676 CA LEU A 46 15.702 -1.591 -35.833 1.00 0.00 C ATOM 677 C LEU A 46 15.643 -1.949 -37.315 1.00 0.00 C ATOM 678 O LEU A 46 14.995 -1.258 -38.097 1.00 0.00 O ATOM 679 CB LEU A 46 17.096 -1.082 -35.453 1.00 0.00 C ATOM 680 CG LEU A 46 17.568 0.078 -36.330 1.00 0.00 C ATOM 681 CD1 LEU A 46 16.713 1.324 -36.120 1.00 0.00 C ATOM 682 CD2 LEU A 46 19.023 0.396 -36.000 1.00 0.00 C ATOM 0 H LEU A 46 16.159 -3.079 -34.437 1.00 0.00 H new ATOM 0 HA LEU A 46 14.974 -0.804 -35.635 1.00 0.00 H new ATOM 0 HB2 LEU A 46 17.089 -0.763 -34.411 1.00 0.00 H new ATOM 0 HB3 LEU A 46 17.810 -1.902 -35.530 1.00 0.00 H new ATOM 0 HG LEU A 46 17.473 -0.222 -37.374 1.00 0.00 H new ATOM 0 HD11 LEU A 46 17.078 2.128 -36.760 1.00 0.00 H new ATOM 0 HD12 LEU A 46 15.677 1.101 -36.373 1.00 0.00 H new ATOM 0 HD13 LEU A 46 16.773 1.635 -35.077 1.00 0.00 H new ATOM 0 HD21 LEU A 46 19.365 1.223 -36.623 1.00 0.00 H new ATOM 0 HD22 LEU A 46 19.105 0.675 -34.949 1.00 0.00 H new ATOM 0 HD23 LEU A 46 19.640 -0.482 -36.192 1.00 0.00 H new ATOM 694 N GLN A 47 16.321 -3.035 -37.703 1.00 0.00 N ATOM 695 CA GLN A 47 16.365 -3.479 -39.090 1.00 0.00 C ATOM 696 C GLN A 47 14.992 -3.919 -39.583 1.00 0.00 C ATOM 697 O GLN A 47 14.738 -3.900 -40.787 1.00 0.00 O ATOM 698 CB GLN A 47 17.366 -4.627 -39.219 1.00 0.00 C ATOM 699 CG GLN A 47 18.795 -4.130 -38.977 1.00 0.00 C ATOM 700 CD GLN A 47 19.377 -3.409 -40.187 1.00 0.00 C ATOM 701 OE1 GLN A 47 18.738 -3.290 -41.228 1.00 0.00 O ATOM 702 NE2 GLN A 47 20.608 -2.918 -40.057 1.00 0.00 N ATOM 0 H GLN A 47 16.851 -3.625 -37.062 1.00 0.00 H new ATOM 0 HA GLN A 47 16.680 -2.640 -39.711 1.00 0.00 H new ATOM 0 HB2 GLN A 47 17.122 -5.411 -38.502 1.00 0.00 H new ATOM 0 HB3 GLN A 47 17.293 -5.070 -40.212 1.00 0.00 H new ATOM 0 HG2 GLN A 47 18.801 -3.457 -38.120 1.00 0.00 H new ATOM 0 HG3 GLN A 47 19.432 -4.977 -38.722 1.00 0.00 H new ATOM 0 HE21 GLN A 47 21.113 -3.034 -39.178 1.00 0.00 H new ATOM 0 HE22 GLN A 47 21.046 -2.426 -40.836 1.00 0.00 H new ATOM 711 N MET A 48 14.099 -4.311 -38.668 1.00 0.00 N ATOM 712 CA MET A 48 12.735 -4.668 -39.031 1.00 0.00 C ATOM 713 C MET A 48 11.879 -3.429 -39.294 1.00 0.00 C ATOM 714 O MET A 48 10.871 -3.531 -39.991 1.00 0.00 O ATOM 715 CB MET A 48 12.101 -5.502 -37.916 1.00 0.00 C ATOM 716 CG MET A 48 12.687 -6.911 -37.834 1.00 0.00 C ATOM 717 SD MET A 48 12.672 -7.851 -39.384 1.00 0.00 S ATOM 718 CE MET A 48 10.886 -8.005 -39.628 1.00 0.00 C ATOM 0 H MET A 48 14.302 -4.387 -37.671 1.00 0.00 H new ATOM 0 HA MET A 48 12.778 -5.251 -39.951 1.00 0.00 H new ATOM 0 HB2 MET A 48 12.245 -4.996 -36.961 1.00 0.00 H new ATOM 0 HB3 MET A 48 11.026 -5.568 -38.083 1.00 0.00 H new ATOM 0 HG2 MET A 48 13.716 -6.838 -37.483 1.00 0.00 H new ATOM 0 HG3 MET A 48 12.133 -7.473 -37.082 1.00 0.00 H new ATOM 0 HE1 MET A 48 10.690 -8.515 -40.571 1.00 0.00 H new ATOM 0 HE2 MET A 48 10.455 -8.580 -38.808 1.00 0.00 H new ATOM 0 HE3 MET A 48 10.435 -7.013 -39.651 1.00 0.00 H new ATOM 728 N PHE A 49 12.270 -2.272 -38.747 1.00 0.00 N ATOM 729 CA PHE A 49 11.504 -1.042 -38.887 1.00 0.00 C ATOM 730 C PHE A 49 12.086 0.075 -39.759 1.00 0.00 C ATOM 731 O PHE A 49 11.392 1.041 -40.066 1.00 0.00 O ATOM 732 CB PHE A 49 10.995 -0.555 -37.531 1.00 0.00 C ATOM 733 CG PHE A 49 9.828 -1.349 -36.978 1.00 0.00 C ATOM 734 CD1 PHE A 49 10.022 -2.663 -36.526 1.00 0.00 C ATOM 735 CD2 PHE A 49 8.550 -0.774 -36.914 1.00 0.00 C ATOM 736 CE1 PHE A 49 8.941 -3.401 -36.026 1.00 0.00 C ATOM 737 CE2 PHE A 49 7.469 -1.515 -36.415 1.00 0.00 C ATOM 738 CZ PHE A 49 7.661 -2.829 -35.975 1.00 0.00 C ATOM 0 H PHE A 49 13.124 -2.169 -38.198 1.00 0.00 H new ATOM 0 HA PHE A 49 10.655 -1.343 -39.501 1.00 0.00 H new ATOM 0 HB2 PHE A 49 11.815 -0.591 -36.814 1.00 0.00 H new ATOM 0 HB3 PHE A 49 10.697 0.490 -37.622 1.00 0.00 H new ATOM 0 HD1 PHE A 49 11.006 -3.106 -36.564 1.00 0.00 H new ATOM 0 HD2 PHE A 49 8.398 0.241 -37.250 1.00 0.00 H new ATOM 0 HE1 PHE A 49 9.093 -4.412 -35.679 1.00 0.00 H new ATOM 0 HE2 PHE A 49 6.486 -1.070 -36.370 1.00 0.00 H new ATOM 0 HZ PHE A 49 6.827 -3.401 -35.597 1.00 0.00 H new ATOM 748 N MET A 50 13.352 -0.043 -40.170 1.00 0.00 N ATOM 749 CA MET A 50 13.993 0.981 -40.981 1.00 0.00 C ATOM 750 C MET A 50 13.419 1.165 -42.395 1.00 0.00 C ATOM 751 O MET A 50 13.436 2.295 -42.882 1.00 0.00 O ATOM 752 CB MET A 50 15.500 0.735 -41.068 1.00 0.00 C ATOM 753 CG MET A 50 16.211 1.224 -39.805 1.00 0.00 C ATOM 754 SD MET A 50 17.995 1.458 -40.001 1.00 0.00 S ATOM 755 CE MET A 50 18.495 -0.246 -40.331 1.00 0.00 C ATOM 0 H MET A 50 13.949 -0.841 -39.951 1.00 0.00 H new ATOM 0 HA MET A 50 13.779 1.912 -40.457 1.00 0.00 H new ATOM 0 HB2 MET A 50 15.691 -0.329 -41.208 1.00 0.00 H new ATOM 0 HB3 MET A 50 15.906 1.249 -41.940 1.00 0.00 H new ATOM 0 HG2 MET A 50 15.764 2.168 -39.493 1.00 0.00 H new ATOM 0 HG3 MET A 50 16.036 0.507 -39.003 1.00 0.00 H new ATOM 0 HE1 MET A 50 19.578 -0.292 -40.443 1.00 0.00 H new ATOM 0 HE2 MET A 50 18.188 -0.882 -39.501 1.00 0.00 H new ATOM 0 HE3 MET A 50 18.021 -0.593 -41.249 1.00 0.00 H new ATOM 765 N PRO A 51 12.909 0.133 -43.091 1.00 0.00 N ATOM 766 CA PRO A 51 12.396 0.317 -44.441 1.00 0.00 C ATOM 767 C PRO A 51 11.041 1.031 -44.449 1.00 0.00 C ATOM 768 O PRO A 51 10.543 1.389 -45.519 1.00 0.00 O ATOM 769 CB PRO A 51 12.284 -1.097 -45.013 1.00 0.00 C ATOM 770 CG PRO A 51 11.984 -1.944 -43.784 1.00 0.00 C ATOM 771 CD PRO A 51 12.804 -1.262 -42.690 1.00 0.00 C ATOM 0 HA PRO A 51 13.053 0.952 -45.036 1.00 0.00 H new ATOM 0 HB2 PRO A 51 11.490 -1.169 -45.756 1.00 0.00 H new ATOM 0 HB3 PRO A 51 13.207 -1.408 -45.502 1.00 0.00 H new ATOM 0 HG2 PRO A 51 10.920 -1.949 -43.547 1.00 0.00 H new ATOM 0 HG3 PRO A 51 12.284 -2.982 -43.926 1.00 0.00 H new ATOM 0 HD2 PRO A 51 12.317 -1.355 -41.719 1.00 0.00 H new ATOM 0 HD3 PRO A 51 13.790 -1.718 -42.597 1.00 0.00 H new ATOM 779 N PHE A 52 10.437 1.234 -43.274 1.00 0.00 N ATOM 780 CA PHE A 52 9.142 1.895 -43.163 1.00 0.00 C ATOM 781 C PHE A 52 9.281 3.416 -43.081 1.00 0.00 C ATOM 782 O PHE A 52 8.297 4.128 -43.275 1.00 0.00 O ATOM 783 CB PHE A 52 8.426 1.349 -41.931 1.00 0.00 C ATOM 784 CG PHE A 52 8.211 -0.149 -41.957 1.00 0.00 C ATOM 785 CD1 PHE A 52 8.405 -0.896 -40.788 1.00 0.00 C ATOM 786 CD2 PHE A 52 7.829 -0.796 -43.143 1.00 0.00 C ATOM 787 CE1 PHE A 52 8.228 -2.284 -40.801 1.00 0.00 C ATOM 788 CE2 PHE A 52 7.667 -2.188 -43.161 1.00 0.00 C ATOM 789 CZ PHE A 52 7.869 -2.934 -41.989 1.00 0.00 C ATOM 0 H PHE A 52 10.833 0.945 -42.380 1.00 0.00 H new ATOM 0 HA PHE A 52 8.559 1.685 -44.060 1.00 0.00 H new ATOM 0 HB2 PHE A 52 9.004 1.607 -41.043 1.00 0.00 H new ATOM 0 HB3 PHE A 52 7.459 1.843 -41.837 1.00 0.00 H new ATOM 0 HD1 PHE A 52 8.692 -0.399 -39.873 1.00 0.00 H new ATOM 0 HD2 PHE A 52 7.660 -0.221 -44.041 1.00 0.00 H new ATOM 0 HE1 PHE A 52 8.368 -2.854 -39.895 1.00 0.00 H new ATOM 0 HE2 PHE A 52 7.387 -2.687 -44.077 1.00 0.00 H new ATOM 0 HZ PHE A 52 7.748 -4.007 -42.003 1.00 0.00 H new ATOM 799 N GLY A 53 10.488 3.911 -42.800 1.00 0.00 N ATOM 800 CA GLY A 53 10.755 5.338 -42.702 1.00 0.00 C ATOM 801 C GLY A 53 11.960 5.618 -41.812 1.00 0.00 C ATOM 802 O GLY A 53 12.662 4.696 -41.397 1.00 0.00 O ATOM 0 H GLY A 53 11.308 3.327 -42.634 1.00 0.00 H new ATOM 0 HA2 GLY A 53 10.933 5.746 -43.697 1.00 0.00 H new ATOM 0 HA3 GLY A 53 9.878 5.847 -42.301 1.00 0.00 H new ATOM 806 N ASN A 54 12.214 6.898 -41.514 1.00 0.00 N ATOM 807 CA ASN A 54 13.358 7.282 -40.706 1.00 0.00 C ATOM 808 C ASN A 54 13.100 6.976 -39.235 1.00 0.00 C ATOM 809 O ASN A 54 12.373 7.705 -38.557 1.00 0.00 O ATOM 810 CB ASN A 54 13.655 8.768 -40.905 1.00 0.00 C ATOM 811 CG ASN A 54 14.777 9.235 -39.989 1.00 0.00 C ATOM 812 OD1 ASN A 54 15.725 8.500 -39.732 1.00 0.00 O ATOM 813 ND2 ASN A 54 14.674 10.466 -39.489 1.00 0.00 N ATOM 0 H ASN A 54 11.637 7.680 -41.825 1.00 0.00 H new ATOM 0 HA ASN A 54 14.226 6.705 -41.023 1.00 0.00 H new ATOM 0 HB2 ASN A 54 13.931 8.950 -41.944 1.00 0.00 H new ATOM 0 HB3 ASN A 54 12.755 9.351 -40.708 1.00 0.00 H new ATOM 0 HD21 ASN A 54 15.399 10.827 -38.869 1.00 0.00 H new ATOM 0 HD22 ASN A 54 13.870 11.047 -39.726 1.00 0.00 H new ATOM 820 N VAL A 55 13.702 5.892 -38.746 1.00 0.00 N ATOM 821 CA VAL A 55 13.624 5.512 -37.345 1.00 0.00 C ATOM 822 C VAL A 55 14.662 6.307 -36.562 1.00 0.00 C ATOM 823 O VAL A 55 15.849 6.235 -36.871 1.00 0.00 O ATOM 824 CB VAL A 55 13.871 4.008 -37.217 1.00 0.00 C ATOM 825 CG1 VAL A 55 13.906 3.580 -35.752 1.00 0.00 C ATOM 826 CG2 VAL A 55 12.772 3.232 -37.936 1.00 0.00 C ATOM 0 H VAL A 55 14.258 5.254 -39.316 1.00 0.00 H new ATOM 0 HA VAL A 55 12.636 5.733 -36.941 1.00 0.00 H new ATOM 0 HB VAL A 55 14.837 3.790 -37.672 1.00 0.00 H new ATOM 0 HG11 VAL A 55 14.083 2.506 -35.691 1.00 0.00 H new ATOM 0 HG12 VAL A 55 14.707 4.110 -35.237 1.00 0.00 H new ATOM 0 HG13 VAL A 55 12.952 3.818 -35.281 1.00 0.00 H new ATOM 0 HG21 VAL A 55 12.958 2.162 -37.838 1.00 0.00 H new ATOM 0 HG22 VAL A 55 11.806 3.474 -37.493 1.00 0.00 H new ATOM 0 HG23 VAL A 55 12.765 3.504 -38.991 1.00 0.00 H new ATOM 836 N ILE A 56 14.225 7.061 -35.549 1.00 0.00 N ATOM 837 CA ILE A 56 15.149 7.827 -34.721 1.00 0.00 C ATOM 838 C ILE A 56 15.764 6.916 -33.662 1.00 0.00 C ATOM 839 O ILE A 56 16.902 7.123 -33.245 1.00 0.00 O ATOM 840 CB ILE A 56 14.420 8.999 -34.057 1.00 0.00 C ATOM 841 CG1 ILE A 56 13.781 9.907 -35.116 1.00 0.00 C ATOM 842 CG2 ILE A 56 15.413 9.795 -33.205 1.00 0.00 C ATOM 843 CD1 ILE A 56 13.100 11.126 -34.488 1.00 0.00 C ATOM 0 H ILE A 56 13.244 7.154 -35.287 1.00 0.00 H new ATOM 0 HA ILE A 56 15.944 8.228 -35.350 1.00 0.00 H new ATOM 0 HB ILE A 56 13.625 8.610 -33.420 1.00 0.00 H new ATOM 0 HG12 ILE A 56 14.546 10.240 -35.818 1.00 0.00 H new ATOM 0 HG13 ILE A 56 13.049 9.337 -35.689 1.00 0.00 H new ATOM 0 HG21 ILE A 56 14.898 10.630 -32.731 1.00 0.00 H new ATOM 0 HG22 ILE A 56 15.836 9.146 -32.438 1.00 0.00 H new ATOM 0 HG23 ILE A 56 16.213 10.176 -33.839 1.00 0.00 H new ATOM 0 HD11 ILE A 56 12.661 11.742 -35.273 1.00 0.00 H new ATOM 0 HD12 ILE A 56 12.317 10.794 -33.806 1.00 0.00 H new ATOM 0 HD13 ILE A 56 13.837 11.711 -33.937 1.00 0.00 H new ATOM 855 N SER A 57 15.012 5.905 -33.224 1.00 0.00 N ATOM 856 CA SER A 57 15.467 4.988 -32.192 1.00 0.00 C ATOM 857 C SER A 57 14.695 3.676 -32.245 1.00 0.00 C ATOM 858 O SER A 57 13.558 3.626 -32.718 1.00 0.00 O ATOM 859 CB SER A 57 15.309 5.652 -30.826 1.00 0.00 C ATOM 860 OG SER A 57 15.708 4.763 -29.806 1.00 0.00 O ATOM 0 H SER A 57 14.076 5.704 -33.576 1.00 0.00 H new ATOM 0 HA SER A 57 16.518 4.755 -32.363 1.00 0.00 H new ATOM 0 HB2 SER A 57 15.910 6.560 -30.783 1.00 0.00 H new ATOM 0 HB3 SER A 57 14.271 5.949 -30.675 1.00 0.00 H new ATOM 0 HG SER A 57 14.954 4.599 -29.201 1.00 0.00 H new ATOM 866 N ALA A 58 15.327 2.611 -31.751 1.00 0.00 N ATOM 867 CA ALA A 58 14.761 1.276 -31.718 1.00 0.00 C ATOM 868 C ALA A 58 15.248 0.571 -30.452 1.00 0.00 C ATOM 869 O ALA A 58 16.373 0.804 -30.010 1.00 0.00 O ATOM 870 CB ALA A 58 15.190 0.534 -32.979 1.00 0.00 C ATOM 0 H ALA A 58 16.266 2.661 -31.356 1.00 0.00 H new ATOM 0 HA ALA A 58 13.672 1.306 -31.694 1.00 0.00 H new ATOM 0 HB1 ALA A 58 14.772 -0.473 -32.969 1.00 0.00 H new ATOM 0 HB2 ALA A 58 14.827 1.069 -33.857 1.00 0.00 H new ATOM 0 HB3 ALA A 58 16.278 0.475 -33.014 1.00 0.00 H new ATOM 876 N LYS A 59 14.409 -0.287 -29.869 1.00 0.00 N ATOM 877 CA LYS A 59 14.708 -0.887 -28.579 1.00 0.00 C ATOM 878 C LYS A 59 13.942 -2.183 -28.347 1.00 0.00 C ATOM 879 O LYS A 59 12.800 -2.324 -28.777 1.00 0.00 O ATOM 880 CB LYS A 59 14.356 0.145 -27.502 1.00 0.00 C ATOM 881 CG LYS A 59 14.533 -0.362 -26.065 1.00 0.00 C ATOM 882 CD LYS A 59 15.970 -0.779 -25.740 1.00 0.00 C ATOM 883 CE LYS A 59 16.988 0.295 -26.139 1.00 0.00 C ATOM 884 NZ LYS A 59 18.369 -0.150 -25.855 1.00 0.00 N ATOM 0 H LYS A 59 13.519 -0.578 -30.274 1.00 0.00 H new ATOM 0 HA LYS A 59 15.765 -1.152 -28.543 1.00 0.00 H new ATOM 0 HB2 LYS A 59 14.979 1.028 -27.643 1.00 0.00 H new ATOM 0 HB3 LYS A 59 13.321 0.459 -27.640 1.00 0.00 H new ATOM 0 HG2 LYS A 59 14.224 0.420 -25.371 1.00 0.00 H new ATOM 0 HG3 LYS A 59 13.870 -1.212 -25.903 1.00 0.00 H new ATOM 0 HD2 LYS A 59 16.056 -0.980 -24.672 1.00 0.00 H new ATOM 0 HD3 LYS A 59 16.203 -1.709 -26.259 1.00 0.00 H new ATOM 0 HE2 LYS A 59 16.886 0.521 -27.201 1.00 0.00 H new ATOM 0 HE3 LYS A 59 16.781 1.217 -25.596 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 19.009 0.670 -25.873 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 18.404 -0.595 -24.916 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 18.667 -0.838 -26.576 1.00 0.00 H new ATOM 898 N VAL A 60 14.577 -3.133 -27.655 1.00 0.00 N ATOM 899 CA VAL A 60 13.922 -4.329 -27.143 1.00 0.00 C ATOM 900 C VAL A 60 14.157 -4.285 -25.639 1.00 0.00 C ATOM 901 O VAL A 60 15.281 -4.046 -25.195 1.00 0.00 O ATOM 902 CB VAL A 60 14.537 -5.583 -27.768 1.00 0.00 C ATOM 903 CG1 VAL A 60 14.208 -6.823 -26.940 1.00 0.00 C ATOM 904 CG2 VAL A 60 13.981 -5.775 -29.181 1.00 0.00 C ATOM 0 H VAL A 60 15.572 -3.088 -27.435 1.00 0.00 H new ATOM 0 HA VAL A 60 12.859 -4.361 -27.383 1.00 0.00 H new ATOM 0 HB VAL A 60 15.619 -5.453 -27.798 1.00 0.00 H new ATOM 0 HG11 VAL A 60 14.656 -7.701 -27.405 1.00 0.00 H new ATOM 0 HG12 VAL A 60 14.606 -6.704 -25.932 1.00 0.00 H new ATOM 0 HG13 VAL A 60 13.127 -6.951 -26.891 1.00 0.00 H new ATOM 0 HG21 VAL A 60 14.419 -6.668 -29.626 1.00 0.00 H new ATOM 0 HG22 VAL A 60 12.898 -5.887 -29.134 1.00 0.00 H new ATOM 0 HG23 VAL A 60 14.230 -4.906 -29.791 1.00 0.00 H new ATOM 914 N PHE A 61 13.104 -4.510 -24.851 1.00 0.00 N ATOM 915 CA PHE A 61 13.191 -4.394 -23.406 1.00 0.00 C ATOM 916 C PHE A 61 14.020 -5.473 -22.710 1.00 0.00 C ATOM 917 O PHE A 61 14.171 -6.570 -23.245 1.00 0.00 O ATOM 918 CB PHE A 61 11.802 -4.192 -22.797 1.00 0.00 C ATOM 919 CG PHE A 61 11.246 -2.788 -22.910 1.00 0.00 C ATOM 920 CD1 PHE A 61 10.393 -2.304 -21.906 1.00 0.00 C ATOM 921 CD2 PHE A 61 11.558 -1.960 -24.005 1.00 0.00 C ATOM 922 CE1 PHE A 61 9.841 -1.020 -22.003 1.00 0.00 C ATOM 923 CE2 PHE A 61 11.018 -0.673 -24.093 1.00 0.00 C ATOM 924 CZ PHE A 61 10.150 -0.204 -23.098 1.00 0.00 C ATOM 0 H PHE A 61 12.181 -4.774 -25.197 1.00 0.00 H new ATOM 0 HA PHE A 61 13.776 -3.495 -23.211 1.00 0.00 H new ATOM 0 HB2 PHE A 61 11.108 -4.880 -23.279 1.00 0.00 H new ATOM 0 HB3 PHE A 61 11.842 -4.466 -21.743 1.00 0.00 H new ATOM 0 HD1 PHE A 61 10.161 -2.925 -21.054 1.00 0.00 H new ATOM 0 HD2 PHE A 61 12.217 -2.320 -24.781 1.00 0.00 H new ATOM 0 HE1 PHE A 61 9.176 -0.659 -21.232 1.00 0.00 H new ATOM 0 HE2 PHE A 61 11.271 -0.039 -24.930 1.00 0.00 H new ATOM 0 HZ PHE A 61 9.721 0.784 -23.175 1.00 0.00 H new ATOM 934 N ILE A 62 14.553 -5.165 -21.530 1.00 0.00 N ATOM 935 CA ILE A 62 15.393 -6.086 -20.775 1.00 0.00 C ATOM 936 C ILE A 62 14.959 -6.102 -19.311 1.00 0.00 C ATOM 937 O ILE A 62 14.575 -5.070 -18.765 1.00 0.00 O ATOM 938 CB ILE A 62 16.870 -5.680 -20.900 1.00 0.00 C ATOM 939 CG1 ILE A 62 17.352 -5.599 -22.355 1.00 0.00 C ATOM 940 CG2 ILE A 62 17.744 -6.655 -20.104 1.00 0.00 C ATOM 941 CD1 ILE A 62 17.385 -6.958 -23.059 1.00 0.00 C ATOM 0 H ILE A 62 14.413 -4.265 -21.070 1.00 0.00 H new ATOM 0 HA ILE A 62 15.279 -7.091 -21.183 1.00 0.00 H new ATOM 0 HB ILE A 62 16.961 -4.675 -20.488 1.00 0.00 H new ATOM 0 HG12 ILE A 62 16.698 -4.926 -22.910 1.00 0.00 H new ATOM 0 HG13 ILE A 62 18.351 -5.163 -22.376 1.00 0.00 H new ATOM 0 HG21 ILE A 62 18.790 -6.363 -20.195 1.00 0.00 H new ATOM 0 HG22 ILE A 62 17.451 -6.632 -19.054 1.00 0.00 H new ATOM 0 HG23 ILE A 62 17.613 -7.664 -20.495 1.00 0.00 H new ATOM 0 HD11 ILE A 62 17.735 -6.829 -24.083 1.00 0.00 H new ATOM 0 HD12 ILE A 62 18.061 -7.627 -22.527 1.00 0.00 H new ATOM 0 HD13 ILE A 62 16.383 -7.387 -23.069 1.00 0.00 H new ATOM 953 N ASP A 63 15.023 -7.272 -18.669 1.00 0.00 N ATOM 954 CA ASP A 63 14.705 -7.398 -17.254 1.00 0.00 C ATOM 955 C ASP A 63 15.982 -7.131 -16.460 1.00 0.00 C ATOM 956 O ASP A 63 17.035 -7.685 -16.772 1.00 0.00 O ATOM 957 CB ASP A 63 14.197 -8.814 -16.988 1.00 0.00 C ATOM 958 CG ASP A 63 13.608 -8.979 -15.588 1.00 0.00 C ATOM 959 OD1 ASP A 63 13.802 -8.065 -14.753 1.00 0.00 O ATOM 960 OD2 ASP A 63 12.964 -10.025 -15.361 1.00 0.00 O ATOM 0 H ASP A 63 15.295 -8.148 -19.115 1.00 0.00 H new ATOM 0 HA ASP A 63 13.934 -6.687 -16.957 1.00 0.00 H new ATOM 0 HB2 ASP A 63 13.438 -9.068 -17.728 1.00 0.00 H new ATOM 0 HB3 ASP A 63 15.018 -9.520 -17.117 1.00 0.00 H new ATOM 965 N LYS A 64 15.901 -6.288 -15.432 1.00 0.00 N ATOM 966 CA LYS A 64 17.048 -5.941 -14.602 1.00 0.00 C ATOM 967 C LYS A 64 17.370 -7.051 -13.604 1.00 0.00 C ATOM 968 O LYS A 64 18.436 -7.041 -12.994 1.00 0.00 O ATOM 969 CB LYS A 64 16.727 -4.630 -13.885 1.00 0.00 C ATOM 970 CG LYS A 64 15.564 -4.813 -12.905 1.00 0.00 C ATOM 971 CD LYS A 64 14.935 -3.471 -12.549 1.00 0.00 C ATOM 972 CE LYS A 64 14.206 -2.903 -13.769 1.00 0.00 C ATOM 973 NZ LYS A 64 13.544 -1.626 -13.440 1.00 0.00 N ATOM 0 H LYS A 64 15.035 -5.827 -15.152 1.00 0.00 H new ATOM 0 HA LYS A 64 17.934 -5.820 -15.226 1.00 0.00 H new ATOM 0 HB2 LYS A 64 17.608 -4.279 -13.348 1.00 0.00 H new ATOM 0 HB3 LYS A 64 16.474 -3.863 -14.617 1.00 0.00 H new ATOM 0 HG2 LYS A 64 14.811 -5.466 -13.346 1.00 0.00 H new ATOM 0 HG3 LYS A 64 15.920 -5.304 -11.999 1.00 0.00 H new ATOM 0 HD2 LYS A 64 14.237 -3.594 -11.721 1.00 0.00 H new ATOM 0 HD3 LYS A 64 15.705 -2.775 -12.216 1.00 0.00 H new ATOM 0 HE2 LYS A 64 14.915 -2.751 -14.583 1.00 0.00 H new ATOM 0 HE3 LYS A 64 13.465 -3.621 -14.122 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 13.057 -1.260 -14.283 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 12.852 -1.780 -12.679 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 14.256 -0.936 -13.126 1.00 0.00 H new ATOM 987 N GLN A 65 16.450 -8.007 -13.438 1.00 0.00 N ATOM 988 CA GLN A 65 16.592 -9.096 -12.479 1.00 0.00 C ATOM 989 C GLN A 65 17.260 -10.327 -13.082 1.00 0.00 C ATOM 990 O GLN A 65 17.810 -11.152 -12.349 1.00 0.00 O ATOM 991 CB GLN A 65 15.205 -9.484 -11.992 1.00 0.00 C ATOM 992 CG GLN A 65 14.594 -8.366 -11.143 1.00 0.00 C ATOM 993 CD GLN A 65 13.076 -8.470 -11.104 1.00 0.00 C ATOM 994 OE1 GLN A 65 12.472 -8.521 -10.033 1.00 0.00 O ATOM 995 NE2 GLN A 65 12.448 -8.505 -12.274 1.00 0.00 N ATOM 0 H GLN A 65 15.581 -8.043 -13.971 1.00 0.00 H new ATOM 0 HA GLN A 65 17.227 -8.746 -11.665 1.00 0.00 H new ATOM 0 HB2 GLN A 65 14.560 -9.692 -12.846 1.00 0.00 H new ATOM 0 HB3 GLN A 65 15.264 -10.401 -11.406 1.00 0.00 H new ATOM 0 HG2 GLN A 65 14.991 -8.418 -10.129 1.00 0.00 H new ATOM 0 HG3 GLN A 65 14.884 -7.397 -11.550 1.00 0.00 H new ATOM 0 HE21 GLN A 65 12.983 -8.460 -13.141 1.00 0.00 H new ATOM 0 HE22 GLN A 65 11.431 -8.576 -12.305 1.00 0.00 H new ATOM 1004 N THR A 66 17.209 -10.459 -14.408 1.00 0.00 N ATOM 1005 CA THR A 66 17.693 -11.638 -15.116 1.00 0.00 C ATOM 1006 C THR A 66 18.515 -11.335 -16.358 1.00 0.00 C ATOM 1007 O THR A 66 19.172 -12.221 -16.906 1.00 0.00 O ATOM 1008 CB THR A 66 16.553 -12.612 -15.431 1.00 0.00 C ATOM 1009 OG1 THR A 66 16.009 -12.284 -16.691 1.00 0.00 O ATOM 1010 CG2 THR A 66 15.422 -12.554 -14.407 1.00 0.00 C ATOM 0 H THR A 66 16.826 -9.742 -15.024 1.00 0.00 H new ATOM 0 HA THR A 66 18.384 -12.118 -14.423 1.00 0.00 H new ATOM 0 HB THR A 66 16.977 -13.616 -15.413 1.00 0.00 H new ATOM 0 HG1 THR A 66 15.279 -12.903 -16.903 1.00 0.00 H new ATOM 0 HG21 THR A 66 14.644 -13.266 -14.683 1.00 0.00 H new ATOM 0 HG22 THR A 66 15.811 -12.807 -13.421 1.00 0.00 H new ATOM 0 HG23 THR A 66 15.002 -11.548 -14.385 1.00 0.00 H new ATOM 1018 N ASN A 67 18.469 -10.074 -16.793 1.00 0.00 N ATOM 1019 CA ASN A 67 19.148 -9.584 -17.984 1.00 0.00 C ATOM 1020 C ASN A 67 18.689 -10.288 -19.264 1.00 0.00 C ATOM 1021 O ASN A 67 19.287 -10.087 -20.320 1.00 0.00 O ATOM 1022 CB ASN A 67 20.665 -9.637 -17.789 1.00 0.00 C ATOM 1023 CG ASN A 67 21.150 -8.696 -16.692 1.00 0.00 C ATOM 1024 OD1 ASN A 67 20.430 -7.808 -16.243 1.00 0.00 O ATOM 1025 ND2 ASN A 67 22.388 -8.886 -16.246 1.00 0.00 N ATOM 0 H ASN A 67 17.941 -9.348 -16.309 1.00 0.00 H new ATOM 0 HA ASN A 67 18.865 -8.540 -18.122 1.00 0.00 H new ATOM 0 HB2 ASN A 67 20.960 -10.657 -17.544 1.00 0.00 H new ATOM 0 HB3 ASN A 67 21.157 -9.379 -18.727 1.00 0.00 H new ATOM 0 HD21 ASN A 67 22.763 -8.286 -15.512 1.00 0.00 H new ATOM 0 HD22 ASN A 67 22.963 -9.632 -16.638 1.00 0.00 H new ATOM 1032 N LEU A 68 17.636 -11.105 -19.186 1.00 0.00 N ATOM 1033 CA LEU A 68 17.094 -11.783 -20.352 1.00 0.00 C ATOM 1034 C LEU A 68 16.256 -10.825 -21.193 1.00 0.00 C ATOM 1035 O LEU A 68 15.756 -9.815 -20.690 1.00 0.00 O ATOM 1036 CB LEU A 68 16.257 -12.994 -19.915 1.00 0.00 C ATOM 1037 CG LEU A 68 17.104 -14.045 -19.197 1.00 0.00 C ATOM 1038 CD1 LEU A 68 16.212 -15.217 -18.790 1.00 0.00 C ATOM 1039 CD2 LEU A 68 18.221 -14.558 -20.103 1.00 0.00 C ATOM 0 H LEU A 68 17.143 -11.310 -18.317 1.00 0.00 H new ATOM 0 HA LEU A 68 17.923 -12.134 -20.967 1.00 0.00 H new ATOM 0 HB2 LEU A 68 15.455 -12.662 -19.255 1.00 0.00 H new ATOM 0 HB3 LEU A 68 15.785 -13.443 -20.789 1.00 0.00 H new ATOM 0 HG LEU A 68 17.553 -13.586 -18.316 1.00 0.00 H new ATOM 0 HD11 LEU A 68 16.811 -15.970 -18.277 1.00 0.00 H new ATOM 0 HD12 LEU A 68 15.427 -14.862 -18.122 1.00 0.00 H new ATOM 0 HD13 LEU A 68 15.761 -15.657 -19.679 1.00 0.00 H new ATOM 0 HD21 LEU A 68 18.809 -15.304 -19.569 1.00 0.00 H new ATOM 0 HD22 LEU A 68 17.787 -15.009 -20.996 1.00 0.00 H new ATOM 0 HD23 LEU A 68 18.865 -13.728 -20.392 1.00 0.00 H new ATOM 1051 N SER A 69 16.108 -11.144 -22.480 1.00 0.00 N ATOM 1052 CA SER A 69 15.342 -10.324 -23.404 1.00 0.00 C ATOM 1053 C SER A 69 13.849 -10.424 -23.111 1.00 0.00 C ATOM 1054 O SER A 69 13.328 -11.517 -22.890 1.00 0.00 O ATOM 1055 CB SER A 69 15.648 -10.756 -24.838 1.00 0.00 C ATOM 1056 OG SER A 69 14.880 -9.993 -25.743 1.00 0.00 O ATOM 0 H SER A 69 16.517 -11.977 -22.905 1.00 0.00 H new ATOM 0 HA SER A 69 15.630 -9.280 -23.278 1.00 0.00 H new ATOM 0 HB2 SER A 69 16.710 -10.625 -25.048 1.00 0.00 H new ATOM 0 HB3 SER A 69 15.427 -11.816 -24.963 1.00 0.00 H new ATOM 0 HG SER A 69 15.081 -10.273 -26.660 1.00 0.00 H new ATOM 1062 N LYS A 70 13.163 -9.276 -23.108 1.00 0.00 N ATOM 1063 CA LYS A 70 11.724 -9.212 -22.912 1.00 0.00 C ATOM 1064 C LYS A 70 10.986 -9.597 -24.188 1.00 0.00 C ATOM 1065 O LYS A 70 11.559 -9.603 -25.276 1.00 0.00 O ATOM 1066 CB LYS A 70 11.314 -7.805 -22.466 1.00 0.00 C ATOM 1067 CG LYS A 70 11.784 -7.476 -21.044 1.00 0.00 C ATOM 1068 CD LYS A 70 11.050 -8.338 -20.016 1.00 0.00 C ATOM 1069 CE LYS A 70 11.220 -7.736 -18.623 1.00 0.00 C ATOM 1070 NZ LYS A 70 10.557 -8.572 -17.597 1.00 0.00 N ATOM 0 H LYS A 70 13.600 -8.364 -23.243 1.00 0.00 H new ATOM 0 HA LYS A 70 11.452 -9.924 -22.132 1.00 0.00 H new ATOM 0 HB2 LYS A 70 11.728 -7.073 -23.160 1.00 0.00 H new ATOM 0 HB3 LYS A 70 10.229 -7.714 -22.516 1.00 0.00 H new ATOM 0 HG2 LYS A 70 12.858 -7.642 -20.964 1.00 0.00 H new ATOM 0 HG3 LYS A 70 11.608 -6.421 -20.833 1.00 0.00 H new ATOM 0 HD2 LYS A 70 9.992 -8.400 -20.269 1.00 0.00 H new ATOM 0 HD3 LYS A 70 11.442 -9.355 -20.033 1.00 0.00 H new ATOM 0 HE2 LYS A 70 12.281 -7.643 -18.391 1.00 0.00 H new ATOM 0 HE3 LYS A 70 10.800 -6.730 -18.604 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 10.688 -8.140 -16.660 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 9.541 -8.640 -17.808 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 10.976 -9.524 -17.601 1.00 0.00 H new ATOM 1084 N CYS A 71 9.701 -9.921 -24.046 1.00 0.00 N ATOM 1085 CA CYS A 71 8.862 -10.327 -25.161 1.00 0.00 C ATOM 1086 C CYS A 71 8.324 -9.144 -25.966 1.00 0.00 C ATOM 1087 O CYS A 71 7.442 -9.332 -26.800 1.00 0.00 O ATOM 1088 CB CYS A 71 7.724 -11.208 -24.652 1.00 0.00 C ATOM 1089 SG CYS A 71 8.404 -12.775 -24.040 1.00 0.00 S ATOM 0 H CYS A 71 9.216 -9.908 -23.149 1.00 0.00 H new ATOM 0 HA CYS A 71 9.485 -10.898 -25.849 1.00 0.00 H new ATOM 0 HB2 CYS A 71 7.183 -10.698 -23.855 1.00 0.00 H new ATOM 0 HB3 CYS A 71 7.009 -11.397 -25.453 1.00 0.00 H new ATOM 0 HG CYS A 71 7.437 -13.527 -23.604 1.00 0.00 H new ATOM 1095 N PHE A 72 8.826 -7.922 -25.738 1.00 0.00 N ATOM 1096 CA PHE A 72 8.299 -6.762 -26.443 1.00 0.00 C ATOM 1097 C PHE A 72 9.375 -5.676 -26.417 1.00 0.00 C ATOM 1098 O PHE A 72 10.408 -5.810 -25.760 1.00 0.00 O ATOM 1099 CB PHE A 72 7.043 -6.307 -25.704 1.00 0.00 C ATOM 1100 CG PHE A 72 7.270 -5.447 -24.488 1.00 0.00 C ATOM 1101 CD1 PHE A 72 6.872 -4.103 -24.521 1.00 0.00 C ATOM 1102 CD2 PHE A 72 7.866 -5.983 -23.334 1.00 0.00 C ATOM 1103 CE1 PHE A 72 7.050 -3.296 -23.386 1.00 0.00 C ATOM 1104 CE2 PHE A 72 8.053 -5.170 -22.207 1.00 0.00 C ATOM 1105 CZ PHE A 72 7.630 -3.835 -22.230 1.00 0.00 C ATOM 0 H PHE A 72 9.581 -7.720 -25.083 1.00 0.00 H new ATOM 0 HA PHE A 72 8.044 -6.985 -27.479 1.00 0.00 H new ATOM 0 HB2 PHE A 72 6.414 -5.756 -26.403 1.00 0.00 H new ATOM 0 HB3 PHE A 72 6.483 -7.192 -25.400 1.00 0.00 H new ATOM 0 HD1 PHE A 72 6.430 -3.690 -25.416 1.00 0.00 H new ATOM 0 HD2 PHE A 72 8.179 -7.017 -23.315 1.00 0.00 H new ATOM 0 HE1 PHE A 72 6.740 -2.261 -23.404 1.00 0.00 H new ATOM 0 HE2 PHE A 72 8.523 -5.573 -21.322 1.00 0.00 H new ATOM 0 HZ PHE A 72 7.752 -3.218 -21.352 1.00 0.00 H new ATOM 1115 N GLY A 73 9.114 -4.588 -27.149 1.00 0.00 N ATOM 1116 CA GLY A 73 10.057 -3.498 -27.327 1.00 0.00 C ATOM 1117 C GLY A 73 9.391 -2.214 -27.829 1.00 0.00 C ATOM 1118 O GLY A 73 8.172 -2.062 -27.770 1.00 0.00 O ATOM 0 H GLY A 73 8.230 -4.445 -27.637 1.00 0.00 H new ATOM 0 HA2 GLY A 73 10.556 -3.297 -26.379 1.00 0.00 H new ATOM 0 HA3 GLY A 73 10.828 -3.803 -28.035 1.00 0.00 H new ATOM 1122 N PHE A 74 10.223 -1.296 -28.328 1.00 0.00 N ATOM 1123 CA PHE A 74 9.857 0.048 -28.747 1.00 0.00 C ATOM 1124 C PHE A 74 10.596 0.576 -29.982 1.00 0.00 C ATOM 1125 O PHE A 74 11.755 0.231 -30.193 1.00 0.00 O ATOM 1126 CB PHE A 74 9.906 0.994 -27.535 1.00 0.00 C ATOM 1127 CG PHE A 74 10.250 2.431 -27.853 1.00 0.00 C ATOM 1128 CD1 PHE A 74 11.508 2.928 -27.476 1.00 0.00 C ATOM 1129 CD2 PHE A 74 9.339 3.264 -28.522 1.00 0.00 C ATOM 1130 CE1 PHE A 74 11.878 4.234 -27.832 1.00 0.00 C ATOM 1131 CE2 PHE A 74 9.707 4.571 -28.861 1.00 0.00 C ATOM 1132 CZ PHE A 74 10.980 5.055 -28.526 1.00 0.00 C ATOM 0 H PHE A 74 11.217 -1.485 -28.455 1.00 0.00 H new ATOM 0 HA PHE A 74 8.830 0.000 -29.110 1.00 0.00 H new ATOM 0 HB2 PHE A 74 8.937 0.971 -27.037 1.00 0.00 H new ATOM 0 HB3 PHE A 74 10.638 0.611 -26.825 1.00 0.00 H new ATOM 0 HD1 PHE A 74 12.189 2.307 -26.913 1.00 0.00 H new ATOM 0 HD2 PHE A 74 8.355 2.897 -28.775 1.00 0.00 H new ATOM 0 HE1 PHE A 74 12.857 4.607 -27.570 1.00 0.00 H new ATOM 0 HE2 PHE A 74 9.009 5.209 -29.382 1.00 0.00 H new ATOM 0 HZ PHE A 74 11.267 6.059 -28.803 1.00 0.00 H new ATOM 1142 N VAL A 75 9.933 1.407 -30.788 1.00 0.00 N ATOM 1143 CA VAL A 75 10.518 2.017 -31.981 1.00 0.00 C ATOM 1144 C VAL A 75 9.913 3.412 -32.144 1.00 0.00 C ATOM 1145 O VAL A 75 8.788 3.647 -31.715 1.00 0.00 O ATOM 1146 CB VAL A 75 10.233 1.139 -33.210 1.00 0.00 C ATOM 1147 CG1 VAL A 75 10.642 1.841 -34.505 1.00 0.00 C ATOM 1148 CG2 VAL A 75 10.991 -0.190 -33.134 1.00 0.00 C ATOM 0 H VAL A 75 8.963 1.678 -30.628 1.00 0.00 H new ATOM 0 HA VAL A 75 11.600 2.101 -31.882 1.00 0.00 H new ATOM 0 HB VAL A 75 9.159 0.954 -33.212 1.00 0.00 H new ATOM 0 HG11 VAL A 75 10.427 1.192 -35.354 1.00 0.00 H new ATOM 0 HG12 VAL A 75 10.082 2.771 -34.607 1.00 0.00 H new ATOM 0 HG13 VAL A 75 11.709 2.061 -34.478 1.00 0.00 H new ATOM 0 HG21 VAL A 75 10.768 -0.787 -34.018 1.00 0.00 H new ATOM 0 HG22 VAL A 75 12.063 0.004 -33.089 1.00 0.00 H new ATOM 0 HG23 VAL A 75 10.683 -0.734 -32.241 1.00 0.00 H new ATOM 1158 N SER A 76 10.648 4.343 -32.764 1.00 0.00 N ATOM 1159 CA SER A 76 10.187 5.716 -32.919 1.00 0.00 C ATOM 1160 C SER A 76 10.556 6.302 -34.279 1.00 0.00 C ATOM 1161 O SER A 76 11.626 6.009 -34.812 1.00 0.00 O ATOM 1162 CB SER A 76 10.771 6.568 -31.791 1.00 0.00 C ATOM 1163 OG SER A 76 10.397 7.916 -31.941 1.00 0.00 O ATOM 0 H SER A 76 11.568 4.163 -33.166 1.00 0.00 H new ATOM 0 HA SER A 76 9.098 5.718 -32.864 1.00 0.00 H new ATOM 0 HB2 SER A 76 10.423 6.194 -30.828 1.00 0.00 H new ATOM 0 HB3 SER A 76 11.858 6.485 -31.791 1.00 0.00 H new ATOM 0 HG SER A 76 9.460 8.027 -31.675 1.00 0.00 H new ATOM 1169 N TYR A 77 9.661 7.128 -34.829 1.00 0.00 N ATOM 1170 CA TYR A 77 9.838 7.773 -36.122 1.00 0.00 C ATOM 1171 C TYR A 77 9.994 9.285 -36.092 1.00 0.00 C ATOM 1172 O TYR A 77 9.597 9.940 -35.128 1.00 0.00 O ATOM 1173 CB TYR A 77 8.726 7.361 -37.084 1.00 0.00 C ATOM 1174 CG TYR A 77 8.843 5.934 -37.548 1.00 0.00 C ATOM 1175 CD1 TYR A 77 8.195 4.926 -36.825 1.00 0.00 C ATOM 1176 CD2 TYR A 77 9.599 5.622 -38.687 1.00 0.00 C ATOM 1177 CE1 TYR A 77 8.308 3.593 -37.233 1.00 0.00 C ATOM 1178 CE2 TYR A 77 9.714 4.288 -39.102 1.00 0.00 C ATOM 1179 CZ TYR A 77 9.069 3.269 -38.371 1.00 0.00 C ATOM 1180 OH TYR A 77 9.182 1.972 -38.756 1.00 0.00 O ATOM 0 H TYR A 77 8.779 7.368 -34.376 1.00 0.00 H new ATOM 0 HA TYR A 77 10.801 7.410 -36.480 1.00 0.00 H new ATOM 0 HB2 TYR A 77 7.762 7.500 -36.595 1.00 0.00 H new ATOM 0 HB3 TYR A 77 8.742 8.021 -37.951 1.00 0.00 H new ATOM 0 HD1 TYR A 77 7.609 5.177 -35.953 1.00 0.00 H new ATOM 0 HD2 TYR A 77 10.091 6.407 -39.243 1.00 0.00 H new ATOM 0 HE1 TYR A 77 7.811 2.813 -36.675 1.00 0.00 H new ATOM 0 HE2 TYR A 77 10.295 4.041 -39.979 1.00 0.00 H new ATOM 0 HH TYR A 77 10.010 1.853 -39.267 1.00 0.00 H new ATOM 1190 N ASP A 78 10.571 9.858 -37.153 1.00 0.00 N ATOM 1191 CA ASP A 78 10.678 11.304 -37.295 1.00 0.00 C ATOM 1192 C ASP A 78 9.344 11.937 -37.702 1.00 0.00 C ATOM 1193 O ASP A 78 9.177 13.151 -37.654 1.00 0.00 O ATOM 1194 CB ASP A 78 11.821 11.623 -38.261 1.00 0.00 C ATOM 1195 CG ASP A 78 11.977 13.112 -38.574 1.00 0.00 C ATOM 1196 OD1 ASP A 78 11.851 13.926 -37.632 1.00 0.00 O ATOM 1197 OD2 ASP A 78 12.227 13.420 -39.761 1.00 0.00 O ATOM 0 H ASP A 78 10.973 9.333 -37.929 1.00 0.00 H new ATOM 0 HA ASP A 78 10.916 11.751 -36.330 1.00 0.00 H new ATOM 0 HB2 ASP A 78 12.754 11.252 -37.838 1.00 0.00 H new ATOM 0 HB3 ASP A 78 11.656 11.082 -39.193 1.00 0.00 H new ATOM 1202 N ASN A 79 8.381 11.098 -38.101 1.00 0.00 N ATOM 1203 CA ASN A 79 7.042 11.535 -38.451 1.00 0.00 C ATOM 1204 C ASN A 79 6.027 10.408 -38.239 1.00 0.00 C ATOM 1205 O ASN A 79 6.376 9.235 -38.376 1.00 0.00 O ATOM 1206 CB ASN A 79 6.999 12.070 -39.892 1.00 0.00 C ATOM 1207 CG ASN A 79 7.726 11.204 -40.919 1.00 0.00 C ATOM 1208 OD1 ASN A 79 7.794 9.892 -40.708 1.00 0.00 O flip ATOM 1209 ND2 ASN A 79 8.231 11.721 -41.910 1.00 0.00 N flip ATOM 0 H ASN A 79 8.519 10.091 -38.188 1.00 0.00 H new ATOM 0 HA ASN A 79 6.766 12.355 -37.788 1.00 0.00 H new ATOM 0 HB2 ASN A 79 5.957 12.172 -40.196 1.00 0.00 H new ATOM 0 HB3 ASN A 79 7.434 13.069 -39.907 1.00 0.00 H new ATOM 0 HD21 ASN A 79 8.165 12.729 -42.049 1.00 0.00 H new ATOM 0 HD22 ASN A 79 8.717 11.143 -42.595 1.00 0.00 H new ATOM 1216 N PRO A 80 4.776 10.744 -37.909 1.00 0.00 N ATOM 1217 CA PRO A 80 3.734 9.771 -37.637 1.00 0.00 C ATOM 1218 C PRO A 80 3.293 9.029 -38.898 1.00 0.00 C ATOM 1219 O PRO A 80 2.686 7.964 -38.796 1.00 0.00 O ATOM 1220 CB PRO A 80 2.584 10.584 -37.048 1.00 0.00 C ATOM 1221 CG PRO A 80 2.755 11.958 -37.690 1.00 0.00 C ATOM 1222 CD PRO A 80 4.273 12.099 -37.767 1.00 0.00 C ATOM 0 HA PRO A 80 4.085 8.994 -36.958 1.00 0.00 H new ATOM 0 HB2 PRO A 80 1.616 10.145 -37.291 1.00 0.00 H new ATOM 0 HB3 PRO A 80 2.646 10.638 -35.961 1.00 0.00 H new ATOM 0 HG2 PRO A 80 2.292 12.006 -38.676 1.00 0.00 H new ATOM 0 HG3 PRO A 80 2.304 12.747 -37.088 1.00 0.00 H new ATOM 0 HD2 PRO A 80 4.568 12.719 -38.613 1.00 0.00 H new ATOM 0 HD3 PRO A 80 4.670 12.574 -36.870 1.00 0.00 H new ATOM 1230 N VAL A 81 3.589 9.566 -40.085 1.00 0.00 N ATOM 1231 CA VAL A 81 3.191 8.933 -41.336 1.00 0.00 C ATOM 1232 C VAL A 81 3.866 7.574 -41.493 1.00 0.00 C ATOM 1233 O VAL A 81 3.222 6.585 -41.842 1.00 0.00 O ATOM 1234 CB VAL A 81 3.527 9.848 -42.518 1.00 0.00 C ATOM 1235 CG1 VAL A 81 2.998 9.255 -43.823 1.00 0.00 C ATOM 1236 CG2 VAL A 81 2.928 11.238 -42.313 1.00 0.00 C ATOM 0 H VAL A 81 4.104 10.439 -40.201 1.00 0.00 H new ATOM 0 HA VAL A 81 2.113 8.771 -41.317 1.00 0.00 H new ATOM 0 HB VAL A 81 4.612 9.933 -42.576 1.00 0.00 H new ATOM 0 HG11 VAL A 81 3.246 9.919 -44.651 1.00 0.00 H new ATOM 0 HG12 VAL A 81 3.454 8.279 -43.991 1.00 0.00 H new ATOM 0 HG13 VAL A 81 1.916 9.143 -43.759 1.00 0.00 H new ATOM 0 HG21 VAL A 81 3.179 11.871 -43.164 1.00 0.00 H new ATOM 0 HG22 VAL A 81 1.844 11.158 -42.227 1.00 0.00 H new ATOM 0 HG23 VAL A 81 3.333 11.678 -41.402 1.00 0.00 H new ATOM 1246 N SER A 82 5.174 7.536 -41.228 1.00 0.00 N ATOM 1247 CA SER A 82 5.946 6.305 -41.301 1.00 0.00 C ATOM 1248 C SER A 82 5.586 5.361 -40.161 1.00 0.00 C ATOM 1249 O SER A 82 5.770 4.151 -40.280 1.00 0.00 O ATOM 1250 CB SER A 82 7.434 6.635 -41.225 1.00 0.00 C ATOM 1251 OG SER A 82 7.801 7.455 -42.313 1.00 0.00 O ATOM 0 H SER A 82 5.720 8.355 -40.959 1.00 0.00 H new ATOM 0 HA SER A 82 5.714 5.812 -42.245 1.00 0.00 H new ATOM 0 HB2 SER A 82 7.655 7.142 -40.286 1.00 0.00 H new ATOM 0 HB3 SER A 82 8.020 5.716 -41.237 1.00 0.00 H new ATOM 0 HG SER A 82 7.868 8.386 -42.013 1.00 0.00 H new ATOM 1257 N ALA A 83 5.069 5.904 -39.054 1.00 0.00 N ATOM 1258 CA ALA A 83 4.720 5.093 -37.904 1.00 0.00 C ATOM 1259 C ALA A 83 3.452 4.286 -38.171 1.00 0.00 C ATOM 1260 O ALA A 83 3.429 3.085 -37.919 1.00 0.00 O ATOM 1261 CB ALA A 83 4.527 6.001 -36.692 1.00 0.00 C ATOM 0 H ALA A 83 4.887 6.901 -38.939 1.00 0.00 H new ATOM 0 HA ALA A 83 5.528 4.388 -37.708 1.00 0.00 H new ATOM 0 HB1 ALA A 83 4.264 5.397 -35.823 1.00 0.00 H new ATOM 0 HB2 ALA A 83 5.452 6.542 -36.492 1.00 0.00 H new ATOM 0 HB3 ALA A 83 3.727 6.713 -36.894 1.00 0.00 H new ATOM 1267 N GLN A 84 2.399 4.924 -38.685 1.00 0.00 N ATOM 1268 CA GLN A 84 1.143 4.225 -38.926 1.00 0.00 C ATOM 1269 C GLN A 84 1.300 3.194 -40.042 1.00 0.00 C ATOM 1270 O GLN A 84 0.605 2.180 -40.047 1.00 0.00 O ATOM 1271 CB GLN A 84 0.040 5.232 -39.263 1.00 0.00 C ATOM 1272 CG GLN A 84 -0.151 6.255 -38.139 1.00 0.00 C ATOM 1273 CD GLN A 84 -0.322 5.607 -36.772 1.00 0.00 C ATOM 1274 OE1 GLN A 84 0.329 6.163 -35.750 1.00 0.00 O flip ATOM 1275 NE2 GLN A 84 -1.031 4.616 -36.627 1.00 0.00 N flip ATOM 0 H GLN A 84 2.393 5.912 -38.939 1.00 0.00 H new ATOM 0 HA GLN A 84 0.861 3.691 -38.019 1.00 0.00 H new ATOM 0 HB2 GLN A 84 0.290 5.750 -40.189 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -0.897 4.702 -39.437 1.00 0.00 H new ATOM 0 HG2 GLN A 84 0.709 6.924 -38.113 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -1.026 6.868 -38.357 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -1.516 4.214 -37.429 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -1.135 4.194 -35.704 1.00 0.00 H new ATOM 1284 N ALA A 85 2.215 3.437 -40.991 1.00 0.00 N ATOM 1285 CA ALA A 85 2.501 2.456 -42.024 1.00 0.00 C ATOM 1286 C ALA A 85 3.182 1.236 -41.406 1.00 0.00 C ATOM 1287 O ALA A 85 2.853 0.102 -41.750 1.00 0.00 O ATOM 1288 CB ALA A 85 3.427 3.077 -43.068 1.00 0.00 C ATOM 0 H ALA A 85 2.759 4.297 -41.057 1.00 0.00 H new ATOM 0 HA ALA A 85 1.568 2.147 -42.495 1.00 0.00 H new ATOM 0 HB1 ALA A 85 3.644 2.343 -43.845 1.00 0.00 H new ATOM 0 HB2 ALA A 85 2.942 3.945 -43.514 1.00 0.00 H new ATOM 0 HB3 ALA A 85 4.357 3.386 -42.591 1.00 0.00 H new ATOM 1294 N ALA A 86 4.131 1.470 -40.494 1.00 0.00 N ATOM 1295 CA ALA A 86 4.869 0.405 -39.851 1.00 0.00 C ATOM 1296 C ALA A 86 3.973 -0.443 -38.944 1.00 0.00 C ATOM 1297 O ALA A 86 4.275 -1.616 -38.726 1.00 0.00 O ATOM 1298 CB ALA A 86 6.017 1.012 -39.056 1.00 0.00 C ATOM 0 H ALA A 86 4.401 2.405 -40.189 1.00 0.00 H new ATOM 0 HA ALA A 86 5.261 -0.262 -40.619 1.00 0.00 H new ATOM 0 HB1 ALA A 86 6.581 0.218 -38.567 1.00 0.00 H new ATOM 0 HB2 ALA A 86 6.675 1.562 -39.729 1.00 0.00 H new ATOM 0 HB3 ALA A 86 5.619 1.691 -38.302 1.00 0.00 H new ATOM 1304 N ILE A 87 2.877 0.116 -38.415 1.00 0.00 N ATOM 1305 CA ILE A 87 1.935 -0.687 -37.645 1.00 0.00 C ATOM 1306 C ILE A 87 1.281 -1.706 -38.563 1.00 0.00 C ATOM 1307 O ILE A 87 1.263 -2.896 -38.262 1.00 0.00 O ATOM 1308 CB ILE A 87 0.862 0.179 -36.968 1.00 0.00 C ATOM 1309 CG1 ILE A 87 1.511 1.110 -35.934 1.00 0.00 C ATOM 1310 CG2 ILE A 87 -0.171 -0.735 -36.292 1.00 0.00 C ATOM 1311 CD1 ILE A 87 0.487 1.788 -35.019 1.00 0.00 C ATOM 0 H ILE A 87 2.629 1.101 -38.506 1.00 0.00 H new ATOM 0 HA ILE A 87 2.487 -1.195 -36.854 1.00 0.00 H new ATOM 0 HB ILE A 87 0.363 0.794 -37.717 1.00 0.00 H new ATOM 0 HG12 ILE A 87 2.212 0.538 -35.326 1.00 0.00 H new ATOM 0 HG13 ILE A 87 2.090 1.874 -36.453 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -0.935 -0.126 -35.810 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -0.637 -1.375 -37.042 1.00 0.00 H new ATOM 0 HG23 ILE A 87 0.325 -1.354 -35.544 1.00 0.00 H new ATOM 0 HD11 ILE A 87 1.004 2.434 -34.309 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -0.199 2.385 -35.620 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -0.075 1.028 -34.476 1.00 0.00 H new ATOM 1323 N GLN A 88 0.748 -1.240 -39.692 1.00 0.00 N ATOM 1324 CA GLN A 88 0.084 -2.111 -40.651 1.00 0.00 C ATOM 1325 C GLN A 88 1.079 -3.054 -41.332 1.00 0.00 C ATOM 1326 O GLN A 88 0.672 -3.992 -42.015 1.00 0.00 O ATOM 1327 CB GLN A 88 -0.650 -1.260 -41.687 1.00 0.00 C ATOM 1328 CG GLN A 88 -1.725 -0.394 -41.025 1.00 0.00 C ATOM 1329 CD GLN A 88 -2.435 0.506 -42.032 1.00 0.00 C ATOM 1330 OE1 GLN A 88 -2.133 0.495 -43.223 1.00 0.00 O ATOM 1331 NE2 GLN A 88 -3.390 1.301 -41.558 1.00 0.00 N ATOM 0 H GLN A 88 0.766 -0.257 -39.963 1.00 0.00 H new ATOM 0 HA GLN A 88 -0.636 -2.731 -40.117 1.00 0.00 H new ATOM 0 HB2 GLN A 88 0.063 -0.623 -42.211 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -1.109 -1.907 -42.435 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -2.456 -1.036 -40.534 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -1.268 0.220 -40.249 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -3.618 1.287 -40.564 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -3.894 1.924 -42.189 1.00 0.00 H new ATOM 1340 N ALA A 89 2.377 -2.809 -41.147 1.00 0.00 N ATOM 1341 CA ALA A 89 3.426 -3.603 -41.771 1.00 0.00 C ATOM 1342 C ALA A 89 3.945 -4.723 -40.867 1.00 0.00 C ATOM 1343 O ALA A 89 4.427 -5.732 -41.380 1.00 0.00 O ATOM 1344 CB ALA A 89 4.569 -2.662 -42.138 1.00 0.00 C ATOM 0 H ALA A 89 2.727 -2.053 -40.559 1.00 0.00 H new ATOM 0 HA ALA A 89 3.009 -4.090 -42.653 1.00 0.00 H new ATOM 0 HB1 ALA A 89 5.371 -3.230 -42.608 1.00 0.00 H new ATOM 0 HB2 ALA A 89 4.207 -1.903 -42.831 1.00 0.00 H new ATOM 0 HB3 ALA A 89 4.947 -2.179 -41.237 1.00 0.00 H new ATOM 1350 N MET A 90 3.856 -4.564 -39.541 1.00 0.00 N ATOM 1351 CA MET A 90 4.367 -5.566 -38.610 1.00 0.00 C ATOM 1352 C MET A 90 3.296 -6.129 -37.680 1.00 0.00 C ATOM 1353 O MET A 90 3.523 -7.157 -37.046 1.00 0.00 O ATOM 1354 CB MET A 90 5.541 -4.994 -37.818 1.00 0.00 C ATOM 1355 CG MET A 90 6.795 -4.895 -38.694 1.00 0.00 C ATOM 1356 SD MET A 90 7.490 -6.489 -39.222 1.00 0.00 S ATOM 1357 CE MET A 90 8.025 -7.168 -37.624 1.00 0.00 C ATOM 0 H MET A 90 3.435 -3.750 -39.093 1.00 0.00 H new ATOM 0 HA MET A 90 4.712 -6.410 -39.208 1.00 0.00 H new ATOM 0 HB2 MET A 90 5.281 -4.007 -37.436 1.00 0.00 H new ATOM 0 HB3 MET A 90 5.745 -5.627 -36.954 1.00 0.00 H new ATOM 0 HG2 MET A 90 6.555 -4.309 -39.581 1.00 0.00 H new ATOM 0 HG3 MET A 90 7.560 -4.346 -38.146 1.00 0.00 H new ATOM 0 HE1 MET A 90 8.426 -8.171 -37.771 1.00 0.00 H new ATOM 0 HE2 MET A 90 8.796 -6.527 -37.196 1.00 0.00 H new ATOM 0 HE3 MET A 90 7.174 -7.214 -36.945 1.00 0.00 H new ATOM 1367 N ASN A 91 2.132 -5.485 -37.581 1.00 0.00 N ATOM 1368 CA ASN A 91 1.035 -6.030 -36.796 1.00 0.00 C ATOM 1369 C ASN A 91 0.544 -7.303 -37.482 1.00 0.00 C ATOM 1370 O ASN A 91 0.330 -7.316 -38.696 1.00 0.00 O ATOM 1371 CB ASN A 91 -0.081 -4.985 -36.691 1.00 0.00 C ATOM 1372 CG ASN A 91 -1.172 -5.386 -35.708 1.00 0.00 C ATOM 1373 OD1 ASN A 91 -1.018 -6.333 -34.937 1.00 0.00 O ATOM 1374 ND2 ASN A 91 -2.286 -4.663 -35.732 1.00 0.00 N ATOM 0 H ASN A 91 1.930 -4.593 -38.032 1.00 0.00 H new ATOM 0 HA ASN A 91 1.360 -6.275 -35.785 1.00 0.00 H new ATOM 0 HB2 ASN A 91 0.348 -4.032 -36.382 1.00 0.00 H new ATOM 0 HB3 ASN A 91 -0.523 -4.832 -37.675 1.00 0.00 H new ATOM 0 HD21 ASN A 91 -3.052 -4.885 -35.096 1.00 0.00 H new ATOM 0 HD22 ASN A 91 -2.375 -3.885 -36.386 1.00 0.00 H new ATOM 1381 N GLY A 92 0.366 -8.372 -36.705 1.00 0.00 N ATOM 1382 CA GLY A 92 -0.080 -9.656 -37.222 1.00 0.00 C ATOM 1383 C GLY A 92 1.043 -10.444 -37.900 1.00 0.00 C ATOM 1384 O GLY A 92 0.781 -11.514 -38.446 1.00 0.00 O ATOM 0 H GLY A 92 0.529 -8.367 -35.698 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -0.492 -10.249 -36.405 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -0.887 -9.494 -37.937 1.00 0.00 H new ATOM 1388 N PHE A 93 2.281 -9.941 -37.877 1.00 0.00 N ATOM 1389 CA PHE A 93 3.407 -10.638 -38.484 1.00 0.00 C ATOM 1390 C PHE A 93 3.640 -11.968 -37.775 1.00 0.00 C ATOM 1391 O PHE A 93 3.940 -11.981 -36.583 1.00 0.00 O ATOM 1392 CB PHE A 93 4.656 -9.755 -38.413 1.00 0.00 C ATOM 1393 CG PHE A 93 5.902 -10.386 -38.998 1.00 0.00 C ATOM 1394 CD1 PHE A 93 6.721 -11.210 -38.214 1.00 0.00 C ATOM 1395 CD2 PHE A 93 6.239 -10.137 -40.334 1.00 0.00 C ATOM 1396 CE1 PHE A 93 7.877 -11.777 -38.765 1.00 0.00 C ATOM 1397 CE2 PHE A 93 7.393 -10.711 -40.886 1.00 0.00 C ATOM 1398 CZ PHE A 93 8.214 -11.530 -40.103 1.00 0.00 C ATOM 0 H PHE A 93 2.524 -9.051 -37.442 1.00 0.00 H new ATOM 0 HA PHE A 93 3.186 -10.845 -39.531 1.00 0.00 H new ATOM 0 HB2 PHE A 93 4.456 -8.821 -38.938 1.00 0.00 H new ATOM 0 HB3 PHE A 93 4.847 -9.500 -37.371 1.00 0.00 H new ATOM 0 HD1 PHE A 93 6.461 -11.408 -37.185 1.00 0.00 H new ATOM 0 HD2 PHE A 93 5.609 -9.502 -40.940 1.00 0.00 H new ATOM 0 HE1 PHE A 93 8.510 -12.406 -38.157 1.00 0.00 H new ATOM 0 HE2 PHE A 93 7.649 -10.521 -41.918 1.00 0.00 H new ATOM 0 HZ PHE A 93 9.104 -11.970 -40.528 1.00 0.00 H new ATOM 1408 N GLN A 94 3.503 -13.090 -38.491 1.00 0.00 N ATOM 1409 CA GLN A 94 3.673 -14.396 -37.874 1.00 0.00 C ATOM 1410 C GLN A 94 5.151 -14.722 -37.675 1.00 0.00 C ATOM 1411 O GLN A 94 5.950 -14.582 -38.601 1.00 0.00 O ATOM 1412 CB GLN A 94 2.973 -15.472 -38.708 1.00 0.00 C ATOM 1413 CG GLN A 94 3.165 -16.844 -38.051 1.00 0.00 C ATOM 1414 CD GLN A 94 2.339 -17.932 -38.733 1.00 0.00 C ATOM 1415 OE1 GLN A 94 1.583 -17.672 -39.667 1.00 0.00 O ATOM 1416 NE2 GLN A 94 2.479 -19.172 -38.262 1.00 0.00 N ATOM 0 H GLN A 94 3.278 -13.114 -39.486 1.00 0.00 H new ATOM 0 HA GLN A 94 3.210 -14.374 -36.888 1.00 0.00 H new ATOM 0 HB2 GLN A 94 1.910 -15.245 -38.794 1.00 0.00 H new ATOM 0 HB3 GLN A 94 3.379 -15.483 -39.719 1.00 0.00 H new ATOM 0 HG2 GLN A 94 4.220 -17.116 -38.085 1.00 0.00 H new ATOM 0 HG3 GLN A 94 2.885 -16.783 -36.999 1.00 0.00 H new ATOM 0 HE21 GLN A 94 3.115 -19.354 -37.486 1.00 0.00 H new ATOM 0 HE22 GLN A 94 1.950 -19.938 -38.678 1.00 0.00 H new ATOM 1425 N ILE A 95 5.507 -15.155 -36.465 1.00 0.00 N ATOM 1426 CA ILE A 95 6.863 -15.558 -36.131 1.00 0.00 C ATOM 1427 C ILE A 95 6.801 -16.718 -35.139 1.00 0.00 C ATOM 1428 O ILE A 95 6.037 -16.675 -34.174 1.00 0.00 O ATOM 1429 CB ILE A 95 7.625 -14.340 -35.589 1.00 0.00 C ATOM 1430 CG1 ILE A 95 9.083 -14.704 -35.298 1.00 0.00 C ATOM 1431 CG2 ILE A 95 6.969 -13.774 -34.328 1.00 0.00 C ATOM 1432 CD1 ILE A 95 9.915 -13.440 -35.093 1.00 0.00 C ATOM 0 H ILE A 95 4.853 -15.235 -35.686 1.00 0.00 H new ATOM 0 HA ILE A 95 7.405 -15.911 -37.008 1.00 0.00 H new ATOM 0 HB ILE A 95 7.593 -13.570 -36.360 1.00 0.00 H new ATOM 0 HG12 ILE A 95 9.138 -15.331 -34.408 1.00 0.00 H new ATOM 0 HG13 ILE A 95 9.491 -15.286 -36.124 1.00 0.00 H new ATOM 0 HG21 ILE A 95 7.539 -12.914 -33.976 1.00 0.00 H new ATOM 0 HG22 ILE A 95 5.949 -13.465 -34.556 1.00 0.00 H new ATOM 0 HG23 ILE A 95 6.952 -14.539 -33.552 1.00 0.00 H new ATOM 0 HD11 ILE A 95 10.949 -13.715 -34.887 1.00 0.00 H new ATOM 0 HD12 ILE A 95 9.875 -12.828 -35.994 1.00 0.00 H new ATOM 0 HD13 ILE A 95 9.515 -12.874 -34.252 1.00 0.00 H new ATOM 1444 N GLY A 96 7.594 -17.767 -35.361 1.00 0.00 N ATOM 1445 CA GLY A 96 7.550 -18.931 -34.488 1.00 0.00 C ATOM 1446 C GLY A 96 6.161 -19.562 -34.530 1.00 0.00 C ATOM 1447 O GLY A 96 5.782 -20.174 -35.530 1.00 0.00 O ATOM 0 H GLY A 96 8.264 -17.831 -36.127 1.00 0.00 H new ATOM 0 HA2 GLY A 96 8.299 -19.659 -34.800 1.00 0.00 H new ATOM 0 HA3 GLY A 96 7.795 -18.640 -33.467 1.00 0.00 H new ATOM 1451 N MET A 97 5.404 -19.413 -33.442 1.00 0.00 N ATOM 1452 CA MET A 97 4.056 -19.956 -33.317 1.00 0.00 C ATOM 1453 C MET A 97 3.067 -18.896 -32.823 1.00 0.00 C ATOM 1454 O MET A 97 1.981 -19.240 -32.355 1.00 0.00 O ATOM 1455 CB MET A 97 4.063 -21.184 -32.404 1.00 0.00 C ATOM 1456 CG MET A 97 4.970 -22.274 -32.971 1.00 0.00 C ATOM 1457 SD MET A 97 5.012 -23.783 -31.975 1.00 0.00 S ATOM 1458 CE MET A 97 6.171 -24.743 -32.982 1.00 0.00 C ATOM 0 H MET A 97 5.716 -18.905 -32.614 1.00 0.00 H new ATOM 0 HA MET A 97 3.720 -20.267 -34.306 1.00 0.00 H new ATOM 0 HB2 MET A 97 4.405 -20.901 -31.408 1.00 0.00 H new ATOM 0 HB3 MET A 97 3.049 -21.568 -32.295 1.00 0.00 H new ATOM 0 HG2 MET A 97 4.636 -22.524 -33.978 1.00 0.00 H new ATOM 0 HG3 MET A 97 5.983 -21.881 -33.060 1.00 0.00 H new ATOM 0 HE1 MET A 97 6.328 -25.720 -32.525 1.00 0.00 H new ATOM 0 HE2 MET A 97 5.762 -24.873 -33.984 1.00 0.00 H new ATOM 0 HE3 MET A 97 7.123 -24.215 -33.045 1.00 0.00 H new ATOM 1468 N LYS A 98 3.430 -17.611 -32.925 1.00 0.00 N ATOM 1469 CA LYS A 98 2.575 -16.510 -32.478 1.00 0.00 C ATOM 1470 C LYS A 98 2.774 -15.292 -33.378 1.00 0.00 C ATOM 1471 O LYS A 98 3.819 -15.146 -34.009 1.00 0.00 O ATOM 1472 CB LYS A 98 2.885 -16.206 -31.011 1.00 0.00 C ATOM 1473 CG LYS A 98 1.849 -15.272 -30.379 1.00 0.00 C ATOM 1474 CD LYS A 98 2.119 -15.152 -28.874 1.00 0.00 C ATOM 1475 CE LYS A 98 1.038 -14.331 -28.166 1.00 0.00 C ATOM 1476 NZ LYS A 98 -0.281 -14.989 -28.241 1.00 0.00 N ATOM 0 H LYS A 98 4.321 -17.309 -33.318 1.00 0.00 H new ATOM 0 HA LYS A 98 1.524 -16.790 -32.552 1.00 0.00 H new ATOM 0 HB2 LYS A 98 2.920 -17.139 -30.449 1.00 0.00 H new ATOM 0 HB3 LYS A 98 3.873 -15.752 -30.937 1.00 0.00 H new ATOM 0 HG2 LYS A 98 1.897 -14.289 -30.847 1.00 0.00 H new ATOM 0 HG3 LYS A 98 0.844 -15.658 -30.549 1.00 0.00 H new ATOM 0 HD2 LYS A 98 2.167 -16.148 -28.433 1.00 0.00 H new ATOM 0 HD3 LYS A 98 3.092 -14.686 -28.715 1.00 0.00 H new ATOM 0 HE2 LYS A 98 1.315 -14.188 -27.122 1.00 0.00 H new ATOM 0 HE3 LYS A 98 0.978 -13.341 -28.618 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -0.931 -14.542 -27.564 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -0.663 -14.892 -29.203 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -0.179 -15.998 -28.009 1.00 0.00 H new ATOM 1490 N ARG A 99 1.780 -14.404 -33.452 1.00 0.00 N ATOM 1491 CA ARG A 99 1.863 -13.214 -34.291 1.00 0.00 C ATOM 1492 C ARG A 99 2.271 -11.994 -33.477 1.00 0.00 C ATOM 1493 O ARG A 99 1.818 -11.830 -32.344 1.00 0.00 O ATOM 1494 CB ARG A 99 0.529 -12.973 -35.002 1.00 0.00 C ATOM 1495 CG ARG A 99 0.206 -14.121 -35.957 1.00 0.00 C ATOM 1496 CD ARG A 99 -1.113 -13.843 -36.676 1.00 0.00 C ATOM 1497 NE ARG A 99 -1.434 -14.919 -37.624 1.00 0.00 N ATOM 1498 CZ ARG A 99 -1.125 -14.909 -38.924 1.00 0.00 C ATOM 1499 NH1 ARG A 99 -0.462 -13.890 -39.466 1.00 0.00 N ATOM 1500 NH2 ARG A 99 -1.482 -15.928 -39.698 1.00 0.00 N ATOM 0 H ARG A 99 0.904 -14.491 -32.936 1.00 0.00 H new ATOM 0 HA ARG A 99 2.633 -13.381 -35.044 1.00 0.00 H new ATOM 0 HB2 ARG A 99 -0.268 -12.872 -34.265 1.00 0.00 H new ATOM 0 HB3 ARG A 99 0.571 -12.035 -35.556 1.00 0.00 H new ATOM 0 HG2 ARG A 99 1.009 -14.238 -36.684 1.00 0.00 H new ATOM 0 HG3 ARG A 99 0.138 -15.058 -35.404 1.00 0.00 H new ATOM 0 HD2 ARG A 99 -1.916 -13.746 -35.945 1.00 0.00 H new ATOM 0 HD3 ARG A 99 -1.049 -12.893 -37.207 1.00 0.00 H new ATOM 0 HE ARG A 99 -1.930 -15.734 -37.263 1.00 0.00 H new ATOM 0 HH11 ARG A 99 -0.181 -13.099 -38.887 1.00 0.00 H new ATOM 0 HH12 ARG A 99 -0.235 -13.900 -40.460 1.00 0.00 H new ATOM 0 HH21 ARG A 99 -1.991 -16.717 -39.300 1.00 0.00 H new ATOM 0 HH22 ARG A 99 -1.247 -15.921 -40.690 1.00 0.00 H new ATOM 1514 N LEU A 100 3.119 -11.138 -34.048 1.00 0.00 N ATOM 1515 CA LEU A 100 3.550 -9.906 -33.400 1.00 0.00 C ATOM 1516 C LEU A 100 2.395 -8.925 -33.254 1.00 0.00 C ATOM 1517 O LEU A 100 1.666 -8.669 -34.211 1.00 0.00 O ATOM 1518 CB LEU A 100 4.681 -9.256 -34.200 1.00 0.00 C ATOM 1519 CG LEU A 100 5.922 -10.151 -34.288 1.00 0.00 C ATOM 1520 CD1 LEU A 100 6.997 -9.429 -35.096 1.00 0.00 C ATOM 1521 CD2 LEU A 100 6.472 -10.439 -32.897 1.00 0.00 C ATOM 0 H LEU A 100 3.525 -11.282 -34.973 1.00 0.00 H new ATOM 0 HA LEU A 100 3.910 -10.162 -32.404 1.00 0.00 H new ATOM 0 HB2 LEU A 100 4.327 -9.029 -35.206 1.00 0.00 H new ATOM 0 HB3 LEU A 100 4.952 -8.308 -33.736 1.00 0.00 H new ATOM 0 HG LEU A 100 5.645 -11.091 -34.766 1.00 0.00 H new ATOM 0 HD11 LEU A 100 7.885 -10.058 -35.164 1.00 0.00 H new ATOM 0 HD12 LEU A 100 6.621 -9.222 -36.098 1.00 0.00 H new ATOM 0 HD13 LEU A 100 7.254 -8.491 -34.603 1.00 0.00 H new ATOM 0 HD21 LEU A 100 7.353 -11.076 -32.979 1.00 0.00 H new ATOM 0 HD22 LEU A 100 6.746 -9.502 -32.413 1.00 0.00 H new ATOM 0 HD23 LEU A 100 5.712 -10.946 -32.303 1.00 0.00 H new ATOM 1533 N LYS A 101 2.229 -8.369 -32.050 1.00 0.00 N ATOM 1534 CA LYS A 101 1.271 -7.302 -31.804 1.00 0.00 C ATOM 1535 C LYS A 101 1.985 -5.962 -31.968 1.00 0.00 C ATOM 1536 O LYS A 101 3.121 -5.824 -31.527 1.00 0.00 O ATOM 1537 CB LYS A 101 0.695 -7.468 -30.399 1.00 0.00 C ATOM 1538 CG LYS A 101 -0.365 -6.412 -30.068 1.00 0.00 C ATOM 1539 CD LYS A 101 -0.599 -6.331 -28.556 1.00 0.00 C ATOM 1540 CE LYS A 101 -0.909 -7.696 -27.931 1.00 0.00 C ATOM 1541 NZ LYS A 101 -2.237 -8.193 -28.338 1.00 0.00 N ATOM 0 H LYS A 101 2.757 -8.650 -31.224 1.00 0.00 H new ATOM 0 HA LYS A 101 0.445 -7.341 -32.514 1.00 0.00 H new ATOM 0 HB2 LYS A 101 0.255 -8.461 -30.306 1.00 0.00 H new ATOM 0 HB3 LYS A 101 1.503 -7.408 -29.670 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -0.046 -5.440 -30.444 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -1.299 -6.658 -30.572 1.00 0.00 H new ATOM 0 HD2 LYS A 101 0.285 -5.909 -28.078 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -1.425 -5.649 -28.356 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -0.145 -8.414 -28.228 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -0.867 -7.617 -26.845 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -2.448 -9.076 -27.831 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -2.959 -7.481 -28.108 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -2.241 -8.373 -29.362 1.00 0.00 H new ATOM 1555 N VAL A 102 1.335 -4.976 -32.594 1.00 0.00 N ATOM 1556 CA VAL A 102 1.907 -3.640 -32.734 1.00 0.00 C ATOM 1557 C VAL A 102 0.864 -2.579 -32.404 1.00 0.00 C ATOM 1558 O VAL A 102 -0.301 -2.739 -32.766 1.00 0.00 O ATOM 1559 CB VAL A 102 2.489 -3.445 -34.140 1.00 0.00 C ATOM 1560 CG1 VAL A 102 3.150 -2.078 -34.295 1.00 0.00 C ATOM 1561 CG2 VAL A 102 3.529 -4.522 -34.451 1.00 0.00 C ATOM 0 H VAL A 102 0.410 -5.082 -33.012 1.00 0.00 H new ATOM 0 HA VAL A 102 2.727 -3.532 -32.024 1.00 0.00 H new ATOM 0 HB VAL A 102 1.654 -3.518 -34.836 1.00 0.00 H new ATOM 0 HG11 VAL A 102 3.549 -1.979 -35.304 1.00 0.00 H new ATOM 0 HG12 VAL A 102 2.412 -1.295 -34.119 1.00 0.00 H new ATOM 0 HG13 VAL A 102 3.961 -1.982 -33.573 1.00 0.00 H new ATOM 0 HG21 VAL A 102 3.928 -4.364 -35.453 1.00 0.00 H new ATOM 0 HG22 VAL A 102 4.340 -4.466 -33.724 1.00 0.00 H new ATOM 0 HG23 VAL A 102 3.062 -5.505 -34.398 1.00 0.00 H new ATOM 1571 N GLN A 103 1.263 -1.499 -31.723 1.00 0.00 N ATOM 1572 CA GLN A 103 0.329 -0.463 -31.310 1.00 0.00 C ATOM 1573 C GLN A 103 1.026 0.888 -31.120 1.00 0.00 C ATOM 1574 O GLN A 103 2.248 0.948 -31.008 1.00 0.00 O ATOM 1575 CB GLN A 103 -0.333 -0.929 -30.012 1.00 0.00 C ATOM 1576 CG GLN A 103 -1.476 -0.016 -29.572 1.00 0.00 C ATOM 1577 CD GLN A 103 -2.550 0.146 -30.646 1.00 0.00 C ATOM 1578 OE1 GLN A 103 -3.088 1.234 -30.830 1.00 0.00 O ATOM 1579 NE2 GLN A 103 -2.879 -0.924 -31.362 1.00 0.00 N ATOM 0 H GLN A 103 2.230 -1.326 -31.449 1.00 0.00 H new ATOM 0 HA GLN A 103 -0.420 -0.311 -32.087 1.00 0.00 H new ATOM 0 HB2 GLN A 103 -0.713 -1.942 -30.146 1.00 0.00 H new ATOM 0 HB3 GLN A 103 0.417 -0.972 -29.222 1.00 0.00 H new ATOM 0 HG2 GLN A 103 -1.931 -0.421 -28.668 1.00 0.00 H new ATOM 0 HG3 GLN A 103 -1.074 0.964 -29.316 1.00 0.00 H new ATOM 0 HE21 GLN A 103 -2.416 -1.816 -31.188 1.00 0.00 H new ATOM 0 HE22 GLN A 103 -3.595 -0.853 -32.085 1.00 0.00 H new ATOM 1588 N LEU A 104 0.252 1.976 -31.075 1.00 0.00 N ATOM 1589 CA LEU A 104 0.760 3.316 -30.807 1.00 0.00 C ATOM 1590 C LEU A 104 1.035 3.490 -29.307 1.00 0.00 C ATOM 1591 O LEU A 104 0.351 2.891 -28.479 1.00 0.00 O ATOM 1592 CB LEU A 104 -0.294 4.329 -31.273 1.00 0.00 C ATOM 1593 CG LEU A 104 0.297 5.434 -32.152 1.00 0.00 C ATOM 1594 CD1 LEU A 104 -0.848 6.242 -32.758 1.00 0.00 C ATOM 1595 CD2 LEU A 104 1.172 6.391 -31.345 1.00 0.00 C ATOM 0 H LEU A 104 -0.756 1.946 -31.226 1.00 0.00 H new ATOM 0 HA LEU A 104 1.696 3.475 -31.342 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -1.074 3.807 -31.828 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -0.770 4.779 -30.402 1.00 0.00 H new ATOM 0 HG LEU A 104 0.910 4.962 -32.920 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -0.441 7.034 -33.387 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -1.477 5.586 -33.360 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -1.444 6.683 -31.959 1.00 0.00 H new ATOM 0 HD21 LEU A 104 1.573 7.161 -32.004 1.00 0.00 H new ATOM 0 HD22 LEU A 104 0.574 6.859 -30.563 1.00 0.00 H new ATOM 0 HD23 LEU A 104 1.994 5.837 -30.891 1.00 0.00 H new ATOM 1607 N LYS A 105 2.032 4.308 -28.954 1.00 0.00 N ATOM 1608 CA LYS A 105 2.295 4.673 -27.565 1.00 0.00 C ATOM 1609 C LYS A 105 1.148 5.551 -27.061 1.00 0.00 C ATOM 1610 O LYS A 105 0.478 6.201 -27.862 1.00 0.00 O ATOM 1611 CB LYS A 105 3.637 5.407 -27.474 1.00 0.00 C ATOM 1612 CG LYS A 105 4.046 5.657 -26.013 1.00 0.00 C ATOM 1613 CD LYS A 105 5.459 6.242 -25.942 1.00 0.00 C ATOM 1614 CE LYS A 105 6.059 6.032 -24.547 1.00 0.00 C ATOM 1615 NZ LYS A 105 5.264 6.678 -23.485 1.00 0.00 N ATOM 0 H LYS A 105 2.675 4.732 -29.623 1.00 0.00 H new ATOM 0 HA LYS A 105 2.355 3.782 -26.941 1.00 0.00 H new ATOM 0 HB2 LYS A 105 4.408 4.820 -27.973 1.00 0.00 H new ATOM 0 HB3 LYS A 105 3.569 6.358 -28.002 1.00 0.00 H new ATOM 0 HG2 LYS A 105 3.339 6.341 -25.544 1.00 0.00 H new ATOM 0 HG3 LYS A 105 4.005 4.723 -25.453 1.00 0.00 H new ATOM 0 HD2 LYS A 105 6.093 5.768 -26.692 1.00 0.00 H new ATOM 0 HD3 LYS A 105 5.430 7.306 -26.175 1.00 0.00 H new ATOM 0 HE2 LYS A 105 6.131 4.964 -24.343 1.00 0.00 H new ATOM 0 HE3 LYS A 105 7.074 6.429 -24.528 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 5.643 6.409 -22.555 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 5.314 7.711 -23.593 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 4.273 6.370 -23.557 1.00 0.00 H new ATOM 1629 N ARG A 106 0.914 5.584 -25.746 1.00 0.00 N ATOM 1630 CA ARG A 106 -0.150 6.411 -25.180 1.00 0.00 C ATOM 1631 C ARG A 106 0.058 7.885 -25.508 1.00 0.00 C ATOM 1632 O ARG A 106 1.183 8.387 -25.445 1.00 0.00 O ATOM 1633 CB ARG A 106 -0.258 6.208 -23.666 1.00 0.00 C ATOM 1634 CG ARG A 106 -0.703 4.781 -23.344 1.00 0.00 C ATOM 1635 CD ARG A 106 -0.935 4.600 -21.844 1.00 0.00 C ATOM 1636 NE ARG A 106 0.308 4.749 -21.078 1.00 0.00 N ATOM 1637 CZ ARG A 106 0.435 5.465 -19.956 1.00 0.00 C ATOM 1638 NH1 ARG A 106 -0.593 6.135 -19.442 1.00 0.00 N ATOM 1639 NH2 ARG A 106 1.610 5.512 -19.335 1.00 0.00 N ATOM 0 H ARG A 106 1.445 5.050 -25.058 1.00 0.00 H new ATOM 0 HA ARG A 106 -1.088 6.094 -25.636 1.00 0.00 H new ATOM 0 HB2 ARG A 106 0.705 6.409 -23.197 1.00 0.00 H new ATOM 0 HB3 ARG A 106 -0.970 6.920 -23.248 1.00 0.00 H new ATOM 0 HG2 ARG A 106 -1.620 4.552 -23.887 1.00 0.00 H new ATOM 0 HG3 ARG A 106 0.054 4.075 -23.685 1.00 0.00 H new ATOM 0 HD2 ARG A 106 -1.665 5.332 -21.498 1.00 0.00 H new ATOM 0 HD3 ARG A 106 -1.360 3.614 -21.658 1.00 0.00 H new ATOM 0 HE ARG A 106 1.138 4.270 -21.428 1.00 0.00 H new ATOM 0 HH11 ARG A 106 -1.501 6.109 -19.905 1.00 0.00 H new ATOM 0 HH12 ARG A 106 -0.473 6.675 -18.585 1.00 0.00 H new ATOM 0 HH21 ARG A 106 2.408 5.003 -19.715 1.00 0.00 H new ATOM 0 HH22 ARG A 106 1.713 6.057 -18.479 1.00 0.00 H new ATOM 1653 N SER A 107 -1.030 8.577 -25.855 1.00 0.00 N ATOM 1654 CA SER A 107 -1.024 10.005 -26.135 1.00 0.00 C ATOM 1655 C SER A 107 -0.894 10.785 -24.831 1.00 0.00 C ATOM 1656 O SER A 107 -1.060 10.222 -23.750 1.00 0.00 O ATOM 1657 CB SER A 107 -2.317 10.380 -26.852 1.00 0.00 C ATOM 1658 OG SER A 107 -3.415 10.169 -25.988 1.00 0.00 O ATOM 0 H SER A 107 -1.951 8.149 -25.949 1.00 0.00 H new ATOM 0 HA SER A 107 -0.176 10.253 -26.774 1.00 0.00 H new ATOM 0 HB2 SER A 107 -2.282 11.424 -27.164 1.00 0.00 H new ATOM 0 HB3 SER A 107 -2.431 9.781 -27.755 1.00 0.00 H new ATOM 0 HG SER A 107 -4.245 10.412 -26.449 1.00 0.00 H new ATOM 1664 N LYS A 108 -0.598 12.084 -24.911 1.00 0.00 N ATOM 1665 CA LYS A 108 -0.498 12.914 -23.715 1.00 0.00 C ATOM 1666 C LYS A 108 -1.847 13.027 -23.005 1.00 0.00 C ATOM 1667 O LYS A 108 -1.892 13.355 -21.821 1.00 0.00 O ATOM 1668 CB LYS A 108 0.028 14.301 -24.089 1.00 0.00 C ATOM 1669 CG LYS A 108 1.429 14.253 -24.706 1.00 0.00 C ATOM 1670 CD LYS A 108 2.464 13.714 -23.716 1.00 0.00 C ATOM 1671 CE LYS A 108 3.855 13.794 -24.345 1.00 0.00 C ATOM 1672 NZ LYS A 108 4.890 13.305 -23.415 1.00 0.00 N ATOM 0 H LYS A 108 -0.425 12.579 -25.786 1.00 0.00 H new ATOM 0 HA LYS A 108 0.201 12.440 -23.025 1.00 0.00 H new ATOM 0 HB2 LYS A 108 -0.660 14.768 -24.794 1.00 0.00 H new ATOM 0 HB3 LYS A 108 0.048 14.930 -23.199 1.00 0.00 H new ATOM 0 HG2 LYS A 108 1.414 13.623 -25.596 1.00 0.00 H new ATOM 0 HG3 LYS A 108 1.719 15.253 -25.028 1.00 0.00 H new ATOM 0 HD2 LYS A 108 2.436 14.292 -22.792 1.00 0.00 H new ATOM 0 HD3 LYS A 108 2.230 12.682 -23.453 1.00 0.00 H new ATOM 0 HE2 LYS A 108 3.877 13.204 -25.261 1.00 0.00 H new ATOM 0 HE3 LYS A 108 4.072 14.825 -24.625 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 5.824 13.371 -23.869 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 4.883 13.885 -22.552 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 4.695 12.314 -23.168 1.00 0.00 H new ATOM 1686 N ASN A 109 -2.943 12.752 -23.718 1.00 0.00 N ATOM 1687 CA ASN A 109 -4.277 12.745 -23.133 1.00 0.00 C ATOM 1688 C ASN A 109 -4.493 11.458 -22.334 1.00 0.00 C ATOM 1689 O ASN A 109 -5.250 11.445 -21.365 1.00 0.00 O ATOM 1690 CB ASN A 109 -5.305 12.845 -24.263 1.00 0.00 C ATOM 1691 CG ASN A 109 -6.724 12.934 -23.721 1.00 0.00 C ATOM 1692 OD1 ASN A 109 -7.205 14.016 -23.398 1.00 0.00 O ATOM 1693 ND2 ASN A 109 -7.408 11.799 -23.618 1.00 0.00 N ATOM 0 H ASN A 109 -2.926 12.529 -24.713 1.00 0.00 H new ATOM 0 HA ASN A 109 -4.390 13.591 -22.455 1.00 0.00 H new ATOM 0 HB2 ASN A 109 -5.092 13.723 -24.873 1.00 0.00 H new ATOM 0 HB3 ASN A 109 -5.217 11.975 -24.914 1.00 0.00 H new ATOM 0 HD21 ASN A 109 -8.364 11.810 -23.261 1.00 0.00 H new ATOM 0 HD22 ASN A 109 -6.977 10.917 -23.896 1.00 0.00 H new ATOM 1700 N ASP A 110 -3.820 10.377 -22.744 1.00 0.00 N ATOM 1701 CA ASP A 110 -3.956 9.067 -22.123 1.00 0.00 C ATOM 1702 C ASP A 110 -2.781 8.697 -21.218 1.00 0.00 C ATOM 1703 O ASP A 110 -2.760 7.615 -20.630 1.00 0.00 O ATOM 1704 CB ASP A 110 -4.206 7.995 -23.193 1.00 0.00 C ATOM 1705 CG ASP A 110 -5.551 8.155 -23.906 1.00 0.00 C ATOM 1706 OD1 ASP A 110 -5.844 7.288 -24.760 1.00 0.00 O ATOM 1707 OD2 ASP A 110 -6.277 9.130 -23.605 1.00 0.00 O ATOM 0 H ASP A 110 -3.162 10.393 -23.523 1.00 0.00 H new ATOM 0 HA ASP A 110 -4.823 9.117 -21.464 1.00 0.00 H new ATOM 0 HB2 ASP A 110 -3.404 8.034 -23.931 1.00 0.00 H new ATOM 0 HB3 ASP A 110 -4.164 7.010 -22.728 1.00 0.00 H new ATOM 1712 N SER A 111 -1.797 9.596 -21.104 1.00 0.00 N ATOM 1713 CA SER A 111 -0.609 9.377 -20.292 1.00 0.00 C ATOM 1714 C SER A 111 -0.949 9.368 -18.805 1.00 0.00 C ATOM 1715 O SER A 111 -0.183 8.837 -18.000 1.00 0.00 O ATOM 1716 CB SER A 111 0.405 10.483 -20.584 1.00 0.00 C ATOM 1717 OG SER A 111 -0.091 11.734 -20.143 1.00 0.00 O ATOM 0 H SER A 111 -1.809 10.499 -21.578 1.00 0.00 H new ATOM 0 HA SER A 111 -0.188 8.404 -20.545 1.00 0.00 H new ATOM 0 HB2 SER A 111 1.348 10.262 -20.085 1.00 0.00 H new ATOM 0 HB3 SER A 111 0.612 10.523 -21.653 1.00 0.00 H new ATOM 0 HG SER A 111 -0.655 12.127 -20.841 1.00 0.00 H new ATOM 1723 N LYS A 112 -2.093 9.957 -18.444 1.00 0.00 N ATOM 1724 CA LYS A 112 -2.547 10.068 -17.064 1.00 0.00 C ATOM 1725 C LYS A 112 -4.046 9.785 -16.963 1.00 0.00 C ATOM 1726 O LYS A 112 -4.777 9.995 -17.929 1.00 0.00 O ATOM 1727 CB LYS A 112 -2.224 11.469 -16.528 1.00 0.00 C ATOM 1728 CG LYS A 112 -0.711 11.697 -16.443 1.00 0.00 C ATOM 1729 CD LYS A 112 -0.398 13.120 -15.973 1.00 0.00 C ATOM 1730 CE LYS A 112 -0.875 14.171 -16.979 1.00 0.00 C ATOM 1731 NZ LYS A 112 -0.198 14.022 -18.283 1.00 0.00 N ATOM 0 H LYS A 112 -2.736 10.375 -19.116 1.00 0.00 H new ATOM 0 HA LYS A 112 -2.025 9.326 -16.459 1.00 0.00 H new ATOM 0 HB2 LYS A 112 -2.671 12.221 -17.178 1.00 0.00 H new ATOM 0 HB3 LYS A 112 -2.669 11.595 -15.541 1.00 0.00 H new ATOM 0 HG2 LYS A 112 -0.269 10.977 -15.754 1.00 0.00 H new ATOM 0 HG3 LYS A 112 -0.258 11.524 -17.419 1.00 0.00 H new ATOM 0 HD2 LYS A 112 -0.875 13.297 -15.009 1.00 0.00 H new ATOM 0 HD3 LYS A 112 0.676 13.224 -15.821 1.00 0.00 H new ATOM 0 HE2 LYS A 112 -1.953 14.082 -17.116 1.00 0.00 H new ATOM 0 HE3 LYS A 112 -0.685 15.168 -16.582 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 -0.442 14.827 -18.895 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 0.832 13.996 -18.139 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 -0.507 13.138 -18.735 1.00 0.00 H new ATOM 1745 N PRO A 113 -4.510 9.307 -15.801 1.00 0.00 N ATOM 1746 CA PRO A 113 -5.916 9.034 -15.548 1.00 0.00 C ATOM 1747 C PRO A 113 -6.699 10.329 -15.329 1.00 0.00 C ATOM 1748 O PRO A 113 -7.928 10.316 -15.358 1.00 0.00 O ATOM 1749 CB PRO A 113 -5.919 8.186 -14.275 1.00 0.00 C ATOM 1750 CG PRO A 113 -4.700 8.704 -13.515 1.00 0.00 C ATOM 1751 CD PRO A 113 -3.703 8.994 -14.635 1.00 0.00 C ATOM 0 HA PRO A 113 -6.391 8.530 -16.389 1.00 0.00 H new ATOM 0 HB2 PRO A 113 -6.838 8.319 -13.703 1.00 0.00 H new ATOM 0 HB3 PRO A 113 -5.834 7.123 -14.498 1.00 0.00 H new ATOM 0 HG2 PRO A 113 -4.933 9.599 -12.939 1.00 0.00 H new ATOM 0 HG3 PRO A 113 -4.316 7.964 -12.813 1.00 0.00 H new ATOM 0 HD2 PRO A 113 -3.051 9.827 -14.374 1.00 0.00 H new ATOM 0 HD3 PRO A 113 -3.061 8.133 -14.822 1.00 0.00 H new ATOM 1759 N TRP A 114 -5.990 11.442 -15.111 1.00 0.00 N ATOM 1760 CA TRP A 114 -6.596 12.746 -14.892 1.00 0.00 C ATOM 1761 C TRP A 114 -7.171 13.335 -16.175 1.00 0.00 C ATOM 1762 O TRP A 114 -6.407 13.428 -17.162 1.00 0.00 O ATOM 1763 CB TRP A 114 -5.566 13.681 -14.257 1.00 0.00 C ATOM 1764 CG TRP A 114 -5.129 13.293 -12.878 1.00 0.00 C ATOM 1765 CD1 TRP A 114 -4.042 12.547 -12.575 1.00 0.00 C ATOM 1766 CD2 TRP A 114 -5.785 13.564 -11.599 1.00 0.00 C ATOM 1767 NE1 TRP A 114 -3.968 12.362 -11.211 1.00 0.00 N ATOM 1768 CE2 TRP A 114 -5.021 12.968 -10.559 1.00 0.00 C ATOM 1769 CE3 TRP A 114 -6.949 14.257 -11.215 1.00 0.00 C ATOM 1770 CZ2 TRP A 114 -5.390 13.054 -9.211 1.00 0.00 C ATOM 1771 CZ3 TRP A 114 -7.325 14.354 -9.867 1.00 0.00 C ATOM 1772 CH2 TRP A 114 -6.551 13.754 -8.862 1.00 0.00 C ATOM 0 H TRP A 114 -4.970 11.456 -15.083 1.00 0.00 H new ATOM 0 HA TRP A 114 -7.438 12.626 -14.210 1.00 0.00 H new ATOM 0 HB2 TRP A 114 -4.688 13.723 -14.902 1.00 0.00 H new ATOM 0 HB3 TRP A 114 -5.984 14.687 -14.221 1.00 0.00 H new ATOM 0 HD1 TRP A 114 -3.338 12.155 -13.294 1.00 0.00 H new ATOM 0 HE1 TRP A 114 -3.226 11.842 -10.742 1.00 0.00 H new ATOM 0 HE3 TRP A 114 -7.563 14.722 -11.972 1.00 0.00 H new ATOM 0 HZ2 TRP A 114 -4.785 12.585 -8.449 1.00 0.00 H new ATOM 0 HZ3 TRP A 114 -8.220 14.896 -9.600 1.00 0.00 H new ATOM 0 HH2 TRP A 114 -6.849 13.832 -7.827 1.00 0.00 H new TER 1783 TRP A 114 ATOM 1784 O5' U B 115 3.132 -13.804 -23.837 1.00 0.00 O ATOM 1785 C5' U B 115 2.541 -12.830 -23.002 1.00 0.00 C ATOM 1786 C4' U B 115 2.455 -11.496 -23.749 1.00 0.00 C ATOM 1787 O4' U B 115 1.498 -11.591 -24.796 1.00 0.00 O ATOM 1788 C3' U B 115 1.955 -10.399 -22.805 1.00 0.00 C ATOM 1789 O3' U B 115 2.333 -9.134 -23.304 1.00 0.00 O ATOM 1790 C2' U B 115 0.450 -10.607 -22.909 1.00 0.00 C ATOM 1791 O2' U B 115 -0.267 -9.451 -22.521 1.00 0.00 O ATOM 1792 C1' U B 115 0.304 -10.937 -24.392 1.00 0.00 C ATOM 1793 N1 U B 115 -0.888 -11.762 -24.693 1.00 0.00 N ATOM 1794 C2 U B 115 -1.704 -11.351 -25.736 1.00 0.00 C ATOM 1795 O2 U B 115 -1.457 -10.351 -26.412 1.00 0.00 O ATOM 1796 N3 U B 115 -2.822 -12.127 -25.989 1.00 0.00 N ATOM 1797 C4 U B 115 -3.186 -13.276 -25.304 1.00 0.00 C ATOM 1798 O4 U B 115 -4.205 -13.892 -25.614 1.00 0.00 O ATOM 1799 C5 U B 115 -2.275 -13.641 -24.247 1.00 0.00 C ATOM 1800 C6 U B 115 -1.179 -12.894 -23.973 1.00 0.00 C ATOM 0 H5' U B 115 3.129 -12.711 -22.092 1.00 0.00 H new ATOM 0 H5'' U B 115 1.545 -13.153 -22.698 1.00 0.00 H new ATOM 0 H4' U B 115 3.447 -11.263 -24.136 1.00 0.00 H new ATOM 0 H3' U B 115 2.341 -10.441 -21.787 1.00 0.00 H new ATOM 0 H2' U B 115 0.047 -11.378 -22.252 1.00 0.00 H new ATOM 0 HO2' U B 115 0.065 -8.677 -23.022 1.00 0.00 H new ATOM 0 HO5' U B 115 3.188 -14.656 -23.357 1.00 0.00 H new ATOM 0 H1' U B 115 0.153 -10.013 -24.950 1.00 0.00 H new ATOM 0 H3 U B 115 -3.433 -11.826 -26.748 1.00 0.00 H new ATOM 0 H5 U B 115 -2.471 -14.528 -23.662 1.00 0.00 H new ATOM 0 H6 U B 115 -0.520 -13.195 -23.172 1.00 0.00 H new ATOM 1811 P U B 116 3.801 -8.537 -23.017 1.00 0.00 P ATOM 1812 OP1 U B 116 4.056 -7.466 -23.999 1.00 0.00 O ATOM 1813 OP2 U B 116 4.753 -9.666 -22.920 1.00 0.00 O ATOM 1814 O5' U B 116 3.660 -7.879 -21.545 1.00 0.00 O ATOM 1815 C5' U B 116 2.741 -6.844 -21.250 1.00 0.00 C ATOM 1816 C4' U B 116 3.189 -5.460 -21.742 1.00 0.00 C ATOM 1817 O4' U B 116 2.753 -5.221 -23.072 1.00 0.00 O ATOM 1818 C3' U B 116 2.494 -4.398 -20.885 1.00 0.00 C ATOM 1819 O3' U B 116 3.197 -3.173 -20.919 1.00 0.00 O ATOM 1820 C2' U B 116 1.165 -4.261 -21.609 1.00 0.00 C ATOM 1821 O2' U B 116 0.538 -3.019 -21.345 1.00 0.00 O ATOM 1822 C1' U B 116 1.596 -4.399 -23.066 1.00 0.00 C ATOM 1823 N1 U B 116 0.490 -4.991 -23.854 1.00 0.00 N ATOM 1824 C2 U B 116 -0.362 -4.137 -24.536 1.00 0.00 C ATOM 1825 O2 U B 116 -0.190 -2.922 -24.578 1.00 0.00 O ATOM 1826 N3 U B 116 -1.439 -4.715 -25.187 1.00 0.00 N ATOM 1827 C4 U B 116 -1.725 -6.066 -25.227 1.00 0.00 C ATOM 1828 O4 U B 116 -2.724 -6.474 -25.812 1.00 0.00 O ATOM 1829 C5 U B 116 -0.759 -6.893 -24.535 1.00 0.00 C ATOM 1830 C6 U B 116 0.295 -6.347 -23.886 1.00 0.00 C ATOM 0 H5' U B 116 2.587 -6.804 -20.172 1.00 0.00 H new ATOM 0 H5'' U B 116 1.778 -7.086 -21.701 1.00 0.00 H new ATOM 0 H4' U B 116 4.277 -5.419 -21.683 1.00 0.00 H new ATOM 0 H3' U B 116 2.418 -4.661 -19.830 1.00 0.00 H new ATOM 0 H2' U B 116 0.416 -4.991 -21.303 1.00 0.00 H new ATOM 0 HO2' U B 116 1.216 -2.358 -21.091 1.00 0.00 H new ATOM 0 H1' U B 116 1.828 -3.436 -23.520 1.00 0.00 H new ATOM 0 H3 U B 116 -2.076 -4.089 -25.680 1.00 0.00 H new ATOM 0 H5 U B 116 -0.882 -7.966 -24.537 1.00 0.00 H new ATOM 0 H6 U B 116 0.998 -6.994 -23.382 1.00 0.00 H new ATOM 1841 P U B 117 4.429 -2.894 -19.921 1.00 0.00 P ATOM 1842 OP1 U B 117 5.419 -3.985 -20.066 1.00 0.00 O ATOM 1843 OP2 U B 117 3.882 -2.581 -18.582 1.00 0.00 O ATOM 1844 O5' U B 117 5.058 -1.550 -20.548 1.00 0.00 O ATOM 1845 C5' U B 117 4.491 -0.292 -20.252 1.00 0.00 C ATOM 1846 C4' U B 117 5.064 0.784 -21.176 1.00 0.00 C ATOM 1847 O4' U B 117 4.429 0.711 -22.439 1.00 0.00 O ATOM 1848 C3' U B 117 4.741 2.164 -20.617 1.00 0.00 C ATOM 1849 O3' U B 117 5.637 3.123 -21.153 1.00 0.00 O ATOM 1850 C2' U B 117 3.355 2.386 -21.194 1.00 0.00 C ATOM 1851 O2' U B 117 3.003 3.755 -21.203 1.00 0.00 O ATOM 1852 C1' U B 117 3.559 1.821 -22.590 1.00 0.00 C ATOM 1853 N1 U B 117 2.304 1.398 -23.240 1.00 0.00 N ATOM 1854 C2 U B 117 1.799 2.194 -24.257 1.00 0.00 C ATOM 1855 O2 U B 117 2.322 3.251 -24.589 1.00 0.00 O ATOM 1856 N3 U B 117 0.656 1.732 -24.889 1.00 0.00 N ATOM 1857 C4 U B 117 -0.037 0.582 -24.564 1.00 0.00 C ATOM 1858 O4 U B 117 -1.049 0.269 -25.187 1.00 0.00 O ATOM 1859 C5 U B 117 0.542 -0.166 -23.471 1.00 0.00 C ATOM 1860 C6 U B 117 1.666 0.253 -22.850 1.00 0.00 C ATOM 0 H5' U B 117 4.691 -0.032 -19.213 1.00 0.00 H new ATOM 0 H5'' U B 117 3.408 -0.339 -20.366 1.00 0.00 H new ATOM 0 H4' U B 117 6.140 0.627 -21.258 1.00 0.00 H new ATOM 0 H3' U B 117 4.808 2.244 -19.532 1.00 0.00 H new ATOM 0 H2' U B 117 2.539 1.926 -20.637 1.00 0.00 H new ATOM 0 HO2' U B 117 2.987 4.083 -22.126 1.00 0.00 H new ATOM 0 H1' U B 117 3.971 2.595 -23.238 1.00 0.00 H new ATOM 0 H3 U B 117 0.294 2.290 -25.662 1.00 0.00 H new ATOM 0 H5 U B 117 0.066 -1.079 -23.144 1.00 0.00 H new ATOM 0 H6 U B 117 2.068 -0.326 -22.032 1.00 0.00 H new ATOM 1871 P A B 118 6.272 4.287 -20.242 1.00 0.00 P ATOM 1872 OP1 A B 118 5.513 4.378 -18.975 1.00 0.00 O ATOM 1873 OP2 A B 118 6.430 5.488 -21.092 1.00 0.00 O ATOM 1874 O5' A B 118 7.738 3.693 -19.927 1.00 0.00 O ATOM 1875 C5' A B 118 7.891 2.502 -19.179 1.00 0.00 C ATOM 1876 C4' A B 118 9.339 2.006 -19.185 1.00 0.00 C ATOM 1877 O4' A B 118 9.730 1.616 -20.494 1.00 0.00 O ATOM 1878 C3' A B 118 10.310 3.083 -18.698 1.00 0.00 C ATOM 1879 O3' A B 118 11.373 2.542 -17.940 1.00 0.00 O ATOM 1880 C2' A B 118 10.824 3.670 -20.004 1.00 0.00 C ATOM 1881 O2' A B 118 12.179 4.054 -19.924 1.00 0.00 O ATOM 1882 C1' A B 118 10.583 2.595 -21.061 1.00 0.00 C ATOM 1883 N9 A B 118 10.000 3.237 -22.253 1.00 0.00 N ATOM 1884 C8 A B 118 8.693 3.323 -22.665 1.00 0.00 C ATOM 1885 N7 A B 118 8.521 4.056 -23.732 1.00 0.00 N ATOM 1886 C5 A B 118 9.812 4.463 -24.058 1.00 0.00 C ATOM 1887 C6 A B 118 10.339 5.290 -25.069 1.00 0.00 C ATOM 1888 N6 A B 118 9.586 5.918 -25.977 1.00 0.00 N ATOM 1889 N1 A B 118 11.665 5.460 -25.124 1.00 0.00 N ATOM 1890 C2 A B 118 12.429 4.848 -24.230 1.00 0.00 C ATOM 1891 N3 A B 118 12.066 4.072 -23.220 1.00 0.00 N ATOM 1892 C4 A B 118 10.722 3.925 -23.194 1.00 0.00 C ATOM 0 H5' A B 118 7.241 1.729 -19.590 1.00 0.00 H new ATOM 0 H5'' A B 118 7.571 2.675 -18.152 1.00 0.00 H new ATOM 0 H4' A B 118 9.380 1.153 -18.507 1.00 0.00 H new ATOM 0 H3' A B 118 9.839 3.809 -18.035 1.00 0.00 H new ATOM 0 H2' A B 118 10.300 4.592 -20.255 1.00 0.00 H new ATOM 0 HO2' A B 118 12.749 3.260 -19.999 1.00 0.00 H new ATOM 0 H1' A B 118 11.504 2.103 -21.372 1.00 0.00 H new ATOM 0 H8 A B 118 7.881 2.829 -22.153 1.00 0.00 H new ATOM 0 H61 A B 118 10.025 6.505 -26.686 1.00 0.00 H new ATOM 0 H62 A B 118 8.572 5.811 -25.961 1.00 0.00 H new ATOM 0 H2 A B 118 13.492 5.003 -24.340 1.00 0.00 H new ATOM 1904 P A B 119 11.121 1.884 -16.492 1.00 0.00 P ATOM 1905 OP1 A B 119 9.843 2.405 -15.959 1.00 0.00 O ATOM 1906 OP2 A B 119 12.357 2.026 -15.689 1.00 0.00 O ATOM 1907 O5' A B 119 10.922 0.327 -16.838 1.00 0.00 O ATOM 1908 C5' A B 119 12.024 -0.478 -17.199 1.00 0.00 C ATOM 1909 C4' A B 119 11.784 -1.099 -18.571 1.00 0.00 C ATOM 1910 O4' A B 119 11.822 -0.114 -19.595 1.00 0.00 O ATOM 1911 C3' A B 119 12.885 -2.110 -18.866 1.00 0.00 C ATOM 1912 O3' A B 119 12.327 -3.220 -19.530 1.00 0.00 O ATOM 1913 C2' A B 119 13.863 -1.349 -19.754 1.00 0.00 C ATOM 1914 O2' A B 119 14.392 -2.168 -20.783 1.00 0.00 O ATOM 1915 C1' A B 119 13.040 -0.194 -20.316 1.00 0.00 C ATOM 1916 N9 A B 119 13.827 1.052 -20.227 1.00 0.00 N ATOM 1917 C8 A B 119 14.071 1.849 -19.138 1.00 0.00 C ATOM 1918 N7 A B 119 14.851 2.866 -19.382 1.00 0.00 N ATOM 1919 C5 A B 119 15.126 2.745 -20.744 1.00 0.00 C ATOM 1920 C6 A B 119 15.882 3.512 -21.649 1.00 0.00 C ATOM 1921 N6 A B 119 16.546 4.623 -21.304 1.00 0.00 N ATOM 1922 N1 A B 119 15.952 3.111 -22.925 1.00 0.00 N ATOM 1923 C2 A B 119 15.304 2.010 -23.284 1.00 0.00 C ATOM 1924 N3 A B 119 14.555 1.203 -22.548 1.00 0.00 N ATOM 1925 C4 A B 119 14.502 1.644 -21.266 1.00 0.00 C ATOM 0 H5' A B 119 12.172 -1.262 -16.456 1.00 0.00 H new ATOM 0 H5'' A B 119 12.934 0.122 -17.215 1.00 0.00 H new ATOM 0 H4' A B 119 10.802 -1.572 -18.555 1.00 0.00 H new ATOM 0 H3' A B 119 13.379 -2.498 -17.975 1.00 0.00 H new ATOM 0 H2' A B 119 14.736 -1.003 -19.201 1.00 0.00 H new ATOM 0 HO2' A B 119 15.013 -1.644 -21.331 1.00 0.00 H new ATOM 0 HO3' A B 119 11.739 -2.909 -20.250 1.00 0.00 H new ATOM 0 H1' A B 119 12.801 -0.355 -21.367 1.00 0.00 H new ATOM 0 H8 A B 119 13.653 1.652 -18.162 1.00 0.00 H new ATOM 0 H61 A B 119 17.078 5.138 -22.006 1.00 0.00 H new ATOM 0 H62 A B 119 16.520 4.954 -20.340 1.00 0.00 H new ATOM 0 H2 A B 119 15.401 1.733 -24.323 1.00 0.00 H new TER 1937 A B 119