USER MOD reduce.3.24.130724 H: found=0, std=0, add=939, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 931 hydrogens (64 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 30 GLN : amide:sc= -3.86 K(o=-5.4,f=-6.7!) USER MOD Set 1.2: A 41 GLN : amide:sc= -1.49 K(o=-5.4,f=-8.9!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 167:sc= 0 (180deg=-0.162) USER MOD Single : A 2 SER OG : rot 180:sc= 0.122 USER MOD Single : A 5 THR OG1 : rot -150:sc=0.000907 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 24 LYS NZ :NH3+ -132:sc= 0 (180deg=-0.0204) USER MOD Single : A 32 ASN : amide:sc= -1 K(o=-1,f=-6.3!) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0.0208 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 GLN : amide:sc= -0.097 X(o=-0.097,f=0) USER MOD Single : A 50 LYS NZ :NH3+ 155:sc= -0.0358 (180deg=-0.291) USER MOD Single : A 53 GLN :FLIP amide:sc= 0 F(o=-1.2,f=0) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot 58:sc= 0.0784 USER MOD Single : A 64 THR OG1 : rot -170:sc= -0.768 USER MOD Single : A 70 MET CE :methyl 176:sc= -7.69! (180deg=-7.85!) USER MOD Single : A 74 SER OG : rot 130:sc= -0.302 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 THR OG1 : rot -51:sc= 1.18 USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 SER OG : rot 64:sc= 1.14 USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 HIS : no HD1:sc= -0.073 X(o=-0.073,f=-0.0059) USER MOD Single : A 107 HIS : no HD1:sc=-0.00754 X(o=-0.0075,f=-0.096) USER MOD Single : A 108 HIS : no HD1:sc= -0.0832 X(o=-0.083,f=-0.047) USER MOD Single : A 109 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 110 HIS : no HD1:sc= -0.179 X(o=-0.18,f=-0.12) USER MOD Single : A 111 HIS : no HD1:sc= -0.346 X(o=-0.35,f=-0.044) USER MOD Single : A 201 PLM O1 : rot 130:sc= -1.6 USER MOD Single : A 202 PLM O1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 2.843 1.561 0.124 1.00 30.34 N ATOM 2 CA MET A 1 2.457 0.340 -0.574 1.00 43.23 C ATOM 3 C MET A 1 3.609 -0.659 -0.602 1.00 31.55 C ATOM 4 O MET A 1 4.727 -0.320 -0.989 1.00 14.10 O ATOM 5 CB MET A 1 2.013 0.663 -2.003 1.00 53.32 C ATOM 6 CG MET A 1 2.982 1.565 -2.751 1.00 61.53 C ATOM 7 SD MET A 1 2.718 1.538 -4.535 1.00 43.22 S ATOM 8 CE MET A 1 3.162 3.218 -4.968 1.00 4.20 C ATOM 0 H1 MET A 1 2.136 2.302 -0.056 1.00 30.34 H new ATOM 0 H2 MET A 1 2.897 1.375 1.146 1.00 30.34 H new ATOM 0 H3 MET A 1 3.772 1.878 -0.219 1.00 30.34 H new ATOM 0 HA MET A 1 1.624 -0.109 -0.034 1.00 43.23 H new ATOM 0 HB2 MET A 1 1.895 -0.268 -2.557 1.00 53.32 H new ATOM 0 HB3 MET A 1 1.034 1.142 -1.971 1.00 53.32 H new ATOM 0 HG2 MET A 1 2.876 2.587 -2.387 1.00 61.53 H new ATOM 0 HG3 MET A 1 4.004 1.254 -2.534 1.00 61.53 H new ATOM 0 HE1 MET A 1 3.050 3.358 -6.043 1.00 4.20 H new ATOM 0 HE2 MET A 1 2.509 3.914 -4.441 1.00 4.20 H new ATOM 0 HE3 MET A 1 4.197 3.406 -4.683 1.00 4.20 H new ATOM 18 N SER A 2 3.328 -1.890 -0.188 1.00 23.13 N ATOM 19 CA SER A 2 4.343 -2.938 -0.162 1.00 70.22 C ATOM 20 C SER A 2 4.054 -4.001 -1.217 1.00 60.42 C ATOM 21 O SER A 2 3.187 -3.823 -2.074 1.00 33.03 O ATOM 22 CB SER A 2 4.405 -3.582 1.224 1.00 14.01 C ATOM 23 OG SER A 2 5.673 -4.170 1.457 1.00 44.23 O ATOM 0 H SER A 2 2.407 -2.187 0.134 1.00 23.13 H new ATOM 0 HA SER A 2 5.307 -2.482 -0.386 1.00 70.22 H new ATOM 0 HB2 SER A 2 4.204 -2.830 1.987 1.00 14.01 H new ATOM 0 HB3 SER A 2 3.627 -4.341 1.311 1.00 14.01 H new ATOM 0 HG SER A 2 5.687 -4.573 2.350 1.00 44.23 H new ATOM 29 N VAL A 3 4.785 -5.109 -1.148 1.00 5.10 N ATOM 30 CA VAL A 3 4.608 -6.203 -2.096 1.00 74.43 C ATOM 31 C VAL A 3 3.141 -6.602 -2.205 1.00 53.33 C ATOM 32 O VAL A 3 2.692 -7.072 -3.250 1.00 14.34 O ATOM 33 CB VAL A 3 5.436 -7.437 -1.690 1.00 11.31 C ATOM 34 CG1 VAL A 3 4.738 -8.208 -0.581 1.00 62.02 C ATOM 35 CG2 VAL A 3 5.686 -8.329 -2.896 1.00 71.40 C ATOM 0 H VAL A 3 5.506 -5.273 -0.445 1.00 5.10 H new ATOM 0 HA VAL A 3 4.957 -5.844 -3.064 1.00 74.43 H new ATOM 0 HB VAL A 3 6.400 -7.098 -1.311 1.00 11.31 H new ATOM 0 HG11 VAL A 3 5.338 -9.076 -0.308 1.00 62.02 H new ATOM 0 HG12 VAL A 3 4.616 -7.563 0.289 1.00 62.02 H new ATOM 0 HG13 VAL A 3 3.759 -8.538 -0.928 1.00 62.02 H new ATOM 0 HG21 VAL A 3 6.272 -9.196 -2.592 1.00 71.40 H new ATOM 0 HG22 VAL A 3 4.733 -8.661 -3.307 1.00 71.40 H new ATOM 0 HG23 VAL A 3 6.233 -7.770 -3.655 1.00 71.40 H new ATOM 45 N GLU A 4 2.399 -6.413 -1.119 1.00 43.03 N ATOM 46 CA GLU A 4 0.982 -6.755 -1.093 1.00 11.43 C ATOM 47 C GLU A 4 0.205 -5.932 -2.118 1.00 22.33 C ATOM 48 O GLU A 4 -0.748 -6.418 -2.728 1.00 35.51 O ATOM 49 CB GLU A 4 0.404 -6.524 0.305 1.00 73.40 C ATOM 50 CG GLU A 4 -1.106 -6.680 0.373 1.00 34.13 C ATOM 51 CD GLU A 4 -1.635 -6.633 1.794 1.00 73.21 C ATOM 52 OE1 GLU A 4 -0.824 -6.417 2.720 1.00 60.22 O ATOM 53 OE2 GLU A 4 -2.856 -6.812 1.979 1.00 42.52 O1- ATOM 0 H GLU A 4 2.755 -6.025 -0.246 1.00 43.03 H new ATOM 0 HA GLU A 4 0.885 -7.810 -1.349 1.00 11.43 H new ATOM 0 HB2 GLU A 4 0.865 -7.226 1.000 1.00 73.40 H new ATOM 0 HB3 GLU A 4 0.673 -5.522 0.639 1.00 73.40 H new ATOM 0 HG2 GLU A 4 -1.576 -5.889 -0.212 1.00 34.13 H new ATOM 0 HG3 GLU A 4 -1.391 -7.627 -0.085 1.00 34.13 H new ATOM 60 N THR A 5 0.619 -4.682 -2.301 1.00 74.04 N ATOM 61 CA THR A 5 -0.037 -3.791 -3.249 1.00 61.14 C ATOM 62 C THR A 5 0.417 -4.076 -4.676 1.00 11.11 C ATOM 63 O THR A 5 -0.320 -3.832 -5.632 1.00 53.10 O ATOM 64 CB THR A 5 0.244 -2.313 -2.918 1.00 23.45 C ATOM 65 OG1 THR A 5 0.446 -2.156 -1.509 1.00 72.15 O ATOM 66 CG2 THR A 5 -0.906 -1.428 -3.373 1.00 71.31 C ATOM 0 H THR A 5 1.406 -4.264 -1.805 1.00 74.04 H new ATOM 0 HA THR A 5 -1.108 -3.976 -3.168 1.00 61.14 H new ATOM 0 HB THR A 5 1.146 -2.010 -3.449 1.00 23.45 H new ATOM 0 HG1 THR A 5 0.155 -1.261 -1.235 1.00 72.15 H new ATOM 0 HG21 THR A 5 -0.684 -0.389 -3.128 1.00 71.31 H new ATOM 0 HG22 THR A 5 -1.037 -1.527 -4.451 1.00 71.31 H new ATOM 0 HG23 THR A 5 -1.822 -1.733 -2.867 1.00 71.31 H new ATOM 74 N ILE A 6 1.633 -4.593 -4.813 1.00 14.44 N ATOM 75 CA ILE A 6 2.183 -4.913 -6.125 1.00 13.03 C ATOM 76 C ILE A 6 1.593 -6.210 -6.666 1.00 73.35 C ATOM 77 O ILE A 6 1.107 -6.258 -7.797 1.00 33.51 O ATOM 78 CB ILE A 6 3.717 -5.041 -6.075 1.00 41.41 C ATOM 79 CG1 ILE A 6 4.308 -3.991 -5.132 1.00 24.24 C ATOM 80 CG2 ILE A 6 4.306 -4.898 -7.470 1.00 42.51 C ATOM 81 CD1 ILE A 6 3.840 -2.583 -5.425 1.00 64.21 C ATOM 0 H ILE A 6 2.256 -4.799 -4.032 1.00 14.44 H new ATOM 0 HA ILE A 6 1.916 -4.091 -6.789 1.00 13.03 H new ATOM 0 HB ILE A 6 3.972 -6.030 -5.693 1.00 41.41 H new ATOM 0 HG12 ILE A 6 4.044 -4.247 -4.106 1.00 24.24 H new ATOM 0 HG13 ILE A 6 5.395 -4.025 -5.199 1.00 24.24 H new ATOM 0 HG21 ILE A 6 5.391 -4.991 -7.418 1.00 42.51 H new ATOM 0 HG22 ILE A 6 3.905 -5.679 -8.116 1.00 42.51 H new ATOM 0 HG23 ILE A 6 4.044 -3.921 -7.877 1.00 42.51 H new ATOM 0 HD11 ILE A 6 4.299 -1.892 -4.718 1.00 64.21 H new ATOM 0 HD12 ILE A 6 4.128 -2.308 -6.440 1.00 64.21 H new ATOM 0 HD13 ILE A 6 2.755 -2.533 -5.329 1.00 64.21 H new ATOM 93 N ILE A 7 1.638 -7.260 -5.853 1.00 51.41 N ATOM 94 CA ILE A 7 1.106 -8.558 -6.250 1.00 0.02 C ATOM 95 C ILE A 7 -0.415 -8.520 -6.351 1.00 53.31 C ATOM 96 O ILE A 7 -1.016 -9.285 -7.104 1.00 54.10 O ATOM 97 CB ILE A 7 1.517 -9.662 -5.259 1.00 13.24 C ATOM 98 CG1 ILE A 7 3.035 -9.850 -5.271 1.00 70.25 C ATOM 99 CG2 ILE A 7 0.814 -10.967 -5.600 1.00 54.25 C ATOM 100 CD1 ILE A 7 3.571 -10.357 -6.591 1.00 52.51 C ATOM 0 H ILE A 7 2.038 -7.237 -4.915 1.00 51.41 H new ATOM 0 HA ILE A 7 1.527 -8.786 -7.229 1.00 0.02 H new ATOM 0 HB ILE A 7 1.216 -9.360 -4.256 1.00 13.24 H new ATOM 0 HG12 ILE A 7 3.513 -8.899 -5.036 1.00 70.25 H new ATOM 0 HG13 ILE A 7 3.312 -10.550 -4.483 1.00 70.25 H new ATOM 0 HG21 ILE A 7 1.114 -11.738 -4.891 1.00 54.25 H new ATOM 0 HG22 ILE A 7 -0.265 -10.824 -5.545 1.00 54.25 H new ATOM 0 HG23 ILE A 7 1.088 -11.275 -6.609 1.00 54.25 H new ATOM 0 HD11 ILE A 7 4.654 -10.466 -6.526 1.00 52.51 H new ATOM 0 HD12 ILE A 7 3.122 -11.323 -6.819 1.00 52.51 H new ATOM 0 HD13 ILE A 7 3.325 -9.647 -7.381 1.00 52.51 H new ATOM 112 N GLU A 8 -1.032 -7.623 -5.587 1.00 35.43 N ATOM 113 CA GLU A 8 -2.483 -7.485 -5.591 1.00 71.25 C ATOM 114 C GLU A 8 -3.006 -7.288 -7.010 1.00 71.52 C ATOM 115 O GLU A 8 -4.003 -7.893 -7.405 1.00 32.54 O ATOM 116 CB GLU A 8 -2.908 -6.308 -4.710 1.00 71.25 C ATOM 117 CG GLU A 8 -3.541 -6.731 -3.395 1.00 15.12 C ATOM 118 CD GLU A 8 -5.054 -6.787 -3.466 1.00 1.01 C ATOM 119 OE1 GLU A 8 -5.667 -5.778 -3.876 1.00 75.25 O ATOM 120 OE2 GLU A 8 -5.626 -7.840 -3.115 1.00 14.41 O1- ATOM 0 H GLU A 8 -0.549 -6.982 -4.958 1.00 35.43 H new ATOM 0 HA GLU A 8 -2.911 -8.403 -5.189 1.00 71.25 H new ATOM 0 HB2 GLU A 8 -2.036 -5.688 -4.501 1.00 71.25 H new ATOM 0 HB3 GLU A 8 -3.615 -5.689 -5.262 1.00 71.25 H new ATOM 0 HG2 GLU A 8 -3.158 -7.711 -3.111 1.00 15.12 H new ATOM 0 HG3 GLU A 8 -3.244 -6.033 -2.612 1.00 15.12 H new ATOM 127 N ARG A 9 -2.328 -6.434 -7.772 1.00 14.15 N ATOM 128 CA ARG A 9 -2.726 -6.155 -9.146 1.00 33.34 C ATOM 129 C ARG A 9 -2.455 -7.358 -10.046 1.00 22.34 C ATOM 130 O ARG A 9 -3.237 -7.658 -10.948 1.00 52.23 O ATOM 131 CB ARG A 9 -1.978 -4.929 -9.676 1.00 41.22 C ATOM 132 CG ARG A 9 -1.956 -3.762 -8.703 1.00 63.41 C ATOM 133 CD ARG A 9 -1.838 -2.432 -9.432 1.00 44.44 C ATOM 134 NE ARG A 9 -2.809 -1.455 -8.949 1.00 1.20 N ATOM 135 CZ ARG A 9 -2.675 -0.787 -7.808 1.00 43.43 C ATOM 136 NH1 ARG A 9 -1.615 -0.990 -7.038 1.00 23.04 N1+ ATOM 137 NH2 ARG A 9 -3.603 0.086 -7.437 1.00 51.24 N ATOM 0 H ARG A 9 -1.501 -5.924 -7.460 1.00 14.15 H new ATOM 0 HA ARG A 9 -3.797 -5.951 -9.154 1.00 33.34 H new ATOM 0 HB2 ARG A 9 -0.953 -5.214 -9.912 1.00 41.22 H new ATOM 0 HB3 ARG A 9 -2.442 -4.606 -10.608 1.00 41.22 H new ATOM 0 HG2 ARG A 9 -2.866 -3.770 -8.103 1.00 63.41 H new ATOM 0 HG3 ARG A 9 -1.119 -3.876 -8.014 1.00 63.41 H new ATOM 0 HD2 ARG A 9 -0.831 -2.036 -9.303 1.00 44.44 H new ATOM 0 HD3 ARG A 9 -1.984 -2.590 -10.501 1.00 44.44 H new ATOM 0 HE ARG A 9 -3.636 -1.275 -9.519 1.00 1.20 H new ATOM 0 HH11 ARG A 9 -0.900 -1.660 -7.321 1.00 23.04 H new ATOM 0 HH12 ARG A 9 -1.515 -0.476 -6.163 1.00 23.04 H new ATOM 0 HH21 ARG A 9 -4.419 0.244 -8.028 1.00 51.24 H new ATOM 0 HH22 ARG A 9 -3.500 0.599 -6.561 1.00 51.24 H new ATOM 151 N ILE A 10 -1.343 -8.041 -9.793 1.00 40.41 N ATOM 152 CA ILE A 10 -0.970 -9.210 -10.579 1.00 14.34 C ATOM 153 C ILE A 10 -2.072 -10.264 -10.552 1.00 62.03 C ATOM 154 O ILE A 10 -2.582 -10.672 -11.596 1.00 74.00 O ATOM 155 CB ILE A 10 0.339 -9.838 -10.068 1.00 5.51 C ATOM 156 CG1 ILE A 10 1.532 -8.953 -10.435 1.00 24.51 C ATOM 157 CG2 ILE A 10 0.515 -11.237 -10.640 1.00 55.12 C ATOM 158 CD1 ILE A 10 2.765 -9.225 -9.601 1.00 13.02 C ATOM 0 H ILE A 10 -0.685 -7.805 -9.050 1.00 40.41 H new ATOM 0 HA ILE A 10 -0.822 -8.868 -11.603 1.00 14.34 H new ATOM 0 HB ILE A 10 0.288 -9.915 -8.982 1.00 5.51 H new ATOM 0 HG12 ILE A 10 1.775 -9.102 -11.487 1.00 24.51 H new ATOM 0 HG13 ILE A 10 1.248 -7.907 -10.319 1.00 24.51 H new ATOM 0 HG21 ILE A 10 1.445 -11.667 -10.269 1.00 55.12 H new ATOM 0 HG22 ILE A 10 -0.322 -11.864 -10.333 1.00 55.12 H new ATOM 0 HG23 ILE A 10 0.548 -11.184 -11.728 1.00 55.12 H new ATOM 0 HD11 ILE A 10 3.571 -8.562 -9.916 1.00 13.02 H new ATOM 0 HD12 ILE A 10 2.539 -9.048 -8.549 1.00 13.02 H new ATOM 0 HD13 ILE A 10 3.074 -10.261 -9.736 1.00 13.02 H new ATOM 170 N LYS A 11 -2.436 -10.701 -9.351 1.00 61.13 N ATOM 171 CA LYS A 11 -3.479 -11.706 -9.185 1.00 50.23 C ATOM 172 C LYS A 11 -4.776 -11.258 -9.850 1.00 62.52 C ATOM 173 O LYS A 11 -5.418 -12.029 -10.563 1.00 43.22 O ATOM 174 CB LYS A 11 -3.723 -11.978 -7.699 1.00 4.34 C ATOM 175 CG LYS A 11 -4.002 -10.724 -6.889 1.00 75.22 C ATOM 176 CD LYS A 11 -4.082 -11.027 -5.402 1.00 21.30 C ATOM 177 CE LYS A 11 -2.713 -11.355 -4.825 1.00 45.52 C ATOM 178 NZ LYS A 11 -2.787 -12.438 -3.806 1.00 13.21 N1+ ATOM 0 H LYS A 11 -2.023 -10.374 -8.477 1.00 61.13 H new ATOM 0 HA LYS A 11 -3.143 -12.625 -9.665 1.00 50.23 H new ATOM 0 HB2 LYS A 11 -4.566 -12.661 -7.597 1.00 4.34 H new ATOM 0 HB3 LYS A 11 -2.851 -12.483 -7.283 1.00 4.34 H new ATOM 0 HG2 LYS A 11 -3.216 -9.991 -7.070 1.00 75.22 H new ATOM 0 HG3 LYS A 11 -4.939 -10.276 -7.221 1.00 75.22 H new ATOM 0 HD2 LYS A 11 -4.503 -10.170 -4.877 1.00 21.30 H new ATOM 0 HD3 LYS A 11 -4.758 -11.866 -5.236 1.00 21.30 H new ATOM 0 HE2 LYS A 11 -2.043 -11.658 -5.629 1.00 45.52 H new ATOM 0 HE3 LYS A 11 -2.285 -10.460 -4.374 1.00 45.52 H new ATOM 0 HZ1 LYS A 11 -1.835 -12.633 -3.437 1.00 13.21 H new ATOM 0 HZ2 LYS A 11 -3.407 -12.139 -3.026 1.00 13.21 H new ATOM 0 HZ3 LYS A 11 -3.172 -13.300 -4.243 1.00 13.21 H new ATOM 192 N ALA A 12 -5.156 -10.006 -9.614 1.00 55.14 N ATOM 193 CA ALA A 12 -6.375 -9.456 -10.192 1.00 34.34 C ATOM 194 C ALA A 12 -6.367 -9.581 -11.711 1.00 55.24 C ATOM 195 O ALA A 12 -7.401 -9.842 -12.328 1.00 10.40 O ATOM 196 CB ALA A 12 -6.543 -8.000 -9.782 1.00 45.33 C ATOM 0 H ALA A 12 -4.636 -9.354 -9.026 1.00 55.14 H new ATOM 0 HA ALA A 12 -7.220 -10.030 -9.810 1.00 34.34 H new ATOM 0 HB1 ALA A 12 -7.458 -7.602 -10.221 1.00 45.33 H new ATOM 0 HB2 ALA A 12 -6.602 -7.932 -8.696 1.00 45.33 H new ATOM 0 HB3 ALA A 12 -5.689 -7.422 -10.135 1.00 45.33 H new ATOM 202 N ARG A 13 -5.195 -9.394 -12.310 1.00 1.42 N ATOM 203 CA ARG A 13 -5.053 -9.485 -13.758 1.00 42.34 C ATOM 204 C ARG A 13 -4.990 -10.942 -14.208 1.00 75.41 C ATOM 205 O ARG A 13 -5.537 -11.305 -15.250 1.00 71.34 O ATOM 206 CB ARG A 13 -3.796 -8.744 -14.217 1.00 55.21 C ATOM 207 CG ARG A 13 -3.549 -8.832 -15.713 1.00 12.20 C ATOM 208 CD ARG A 13 -4.590 -8.049 -16.498 1.00 25.52 C ATOM 209 NE ARG A 13 -4.958 -8.720 -17.741 1.00 14.11 N ATOM 210 CZ ARG A 13 -4.167 -8.775 -18.808 1.00 35.11 C ATOM 211 NH1 ARG A 13 -2.972 -8.201 -18.782 1.00 42.00 N1+ ATOM 212 NH2 ARG A 13 -4.572 -9.404 -19.904 1.00 54.31 N ATOM 0 H ARG A 13 -4.330 -9.178 -11.814 1.00 1.42 H new ATOM 0 HA ARG A 13 -5.927 -9.019 -14.213 1.00 42.34 H new ATOM 0 HB2 ARG A 13 -3.879 -7.695 -13.932 1.00 55.21 H new ATOM 0 HB3 ARG A 13 -2.932 -9.150 -13.690 1.00 55.21 H new ATOM 0 HG2 ARG A 13 -2.555 -8.448 -15.942 1.00 12.20 H new ATOM 0 HG3 ARG A 13 -3.567 -9.876 -16.025 1.00 12.20 H new ATOM 0 HD2 ARG A 13 -5.480 -7.912 -15.883 1.00 25.52 H new ATOM 0 HD3 ARG A 13 -4.202 -7.056 -16.724 1.00 25.52 H new ATOM 0 HE ARG A 13 -5.871 -9.171 -17.794 1.00 14.11 H new ATOM 0 HH11 ARG A 13 -2.658 -7.716 -17.942 1.00 42.00 H new ATOM 0 HH12 ARG A 13 -2.367 -8.245 -19.602 1.00 42.00 H new ATOM 0 HH21 ARG A 13 -5.491 -9.846 -19.928 1.00 54.31 H new ATOM 0 HH22 ARG A 13 -3.964 -9.446 -20.722 1.00 54.31 H new ATOM 226 N VAL A 14 -4.319 -11.772 -13.416 1.00 22.42 N ATOM 227 CA VAL A 14 -4.184 -13.189 -13.732 1.00 65.13 C ATOM 228 C VAL A 14 -5.542 -13.818 -14.023 1.00 11.41 C ATOM 229 O VAL A 14 -5.702 -14.552 -14.998 1.00 11.41 O ATOM 230 CB VAL A 14 -3.510 -13.959 -12.581 1.00 21.10 C ATOM 231 CG1 VAL A 14 -3.455 -15.446 -12.893 1.00 11.02 C ATOM 232 CG2 VAL A 14 -2.115 -13.409 -12.318 1.00 61.14 C ATOM 0 H VAL A 14 -3.860 -11.487 -12.551 1.00 22.42 H new ATOM 0 HA VAL A 14 -3.557 -13.257 -14.621 1.00 65.13 H new ATOM 0 HB VAL A 14 -4.106 -13.824 -11.678 1.00 21.10 H new ATOM 0 HG11 VAL A 14 -2.975 -15.973 -12.068 1.00 11.02 H new ATOM 0 HG12 VAL A 14 -4.467 -15.827 -13.028 1.00 11.02 H new ATOM 0 HG13 VAL A 14 -2.883 -15.605 -13.807 1.00 11.02 H new ATOM 0 HG21 VAL A 14 -1.653 -13.964 -11.502 1.00 61.14 H new ATOM 0 HG22 VAL A 14 -1.508 -13.513 -13.217 1.00 61.14 H new ATOM 0 HG23 VAL A 14 -2.184 -12.356 -12.047 1.00 61.14 H new ATOM 242 N GLY A 15 -6.519 -13.526 -13.169 1.00 21.44 N ATOM 243 CA GLY A 15 -7.851 -14.071 -13.352 1.00 52.30 C ATOM 244 C GLY A 15 -8.715 -13.204 -14.246 1.00 73.25 C ATOM 245 O GLY A 15 -9.927 -13.401 -14.329 1.00 42.21 O ATOM 0 H GLY A 15 -6.411 -12.922 -12.354 1.00 21.44 H new ATOM 0 HA2 GLY A 15 -7.776 -15.069 -13.783 1.00 52.30 H new ATOM 0 HA3 GLY A 15 -8.333 -14.179 -12.380 1.00 52.30 H new ATOM 249 N ALA A 16 -8.090 -12.242 -14.917 1.00 11.20 N ATOM 250 CA ALA A 16 -8.809 -11.342 -15.810 1.00 51.25 C ATOM 251 C ALA A 16 -8.282 -11.448 -17.236 1.00 3.23 C ATOM 252 O ALA A 16 -8.735 -10.732 -18.131 1.00 4.14 O ATOM 253 CB ALA A 16 -8.705 -9.908 -15.311 1.00 14.21 C ATOM 0 H ALA A 16 -7.087 -12.066 -14.859 1.00 11.20 H new ATOM 0 HA ALA A 16 -9.858 -11.637 -15.816 1.00 51.25 H new ATOM 0 HB1 ALA A 16 -9.247 -9.247 -15.988 1.00 14.21 H new ATOM 0 HB2 ALA A 16 -9.137 -9.838 -14.313 1.00 14.21 H new ATOM 0 HB3 ALA A 16 -7.657 -9.610 -15.275 1.00 14.21 H new ATOM 259 N VAL A 17 -7.323 -12.345 -17.443 1.00 61.40 N ATOM 260 CA VAL A 17 -6.734 -12.543 -18.763 1.00 25.41 C ATOM 261 C VAL A 17 -7.812 -12.750 -19.820 1.00 62.03 C ATOM 262 O VAL A 17 -8.805 -13.438 -19.583 1.00 65.32 O ATOM 263 CB VAL A 17 -5.781 -13.753 -18.774 1.00 5.11 C ATOM 264 CG1 VAL A 17 -5.479 -14.181 -20.203 1.00 42.13 C ATOM 265 CG2 VAL A 17 -4.499 -13.427 -18.024 1.00 53.34 C ATOM 0 H VAL A 17 -6.937 -12.946 -16.714 1.00 61.40 H new ATOM 0 HA VAL A 17 -6.169 -11.641 -18.997 1.00 25.41 H new ATOM 0 HB VAL A 17 -6.270 -14.585 -18.267 1.00 5.11 H new ATOM 0 HG11 VAL A 17 -4.804 -15.037 -20.192 1.00 42.13 H new ATOM 0 HG12 VAL A 17 -6.407 -14.457 -20.704 1.00 42.13 H new ATOM 0 HG13 VAL A 17 -5.009 -13.356 -20.738 1.00 42.13 H new ATOM 0 HG21 VAL A 17 -3.837 -14.293 -18.042 1.00 53.34 H new ATOM 0 HG22 VAL A 17 -4.003 -12.582 -18.501 1.00 53.34 H new ATOM 0 HG23 VAL A 17 -4.736 -13.173 -16.991 1.00 53.34 H new ATOM 275 N ASP A 18 -7.610 -12.150 -20.988 1.00 53.03 N ATOM 276 CA ASP A 18 -8.565 -12.269 -22.084 1.00 53.12 C ATOM 277 C ASP A 18 -8.051 -13.231 -23.151 1.00 33.02 C ATOM 278 O ASP A 18 -6.857 -13.286 -23.448 1.00 11.13 O ATOM 279 CB ASP A 18 -8.836 -10.898 -22.704 1.00 41.05 C ATOM 280 CG ASP A 18 -9.808 -10.073 -21.883 1.00 3.44 C ATOM 281 OD1 ASP A 18 -9.385 -9.515 -20.847 1.00 41.35 O ATOM 282 OD2 ASP A 18 -10.990 -9.984 -22.274 1.00 43.50 O1- ATOM 0 H ASP A 18 -6.794 -11.576 -21.200 1.00 53.03 H new ATOM 0 HA ASP A 18 -9.496 -12.667 -21.680 1.00 53.12 H new ATOM 0 HB2 ASP A 18 -7.896 -10.355 -22.803 1.00 41.05 H new ATOM 0 HB3 ASP A 18 -9.235 -11.030 -23.710 1.00 41.05 H new ATOM 287 N PRO A 19 -8.971 -14.007 -23.742 1.00 61.33 N ATOM 288 CA PRO A 19 -8.633 -14.981 -24.784 1.00 24.45 C ATOM 289 C PRO A 19 -8.218 -14.313 -26.089 1.00 52.45 C ATOM 290 O PRO A 19 -7.648 -14.953 -26.972 1.00 60.01 O ATOM 291 CB PRO A 19 -9.935 -15.763 -24.974 1.00 44.51 C ATOM 292 CG PRO A 19 -11.008 -14.825 -24.541 1.00 61.04 C ATOM 293 CD PRO A 19 -10.411 -13.996 -23.437 1.00 65.12 C ATOM 0 HA PRO A 19 -7.784 -15.603 -24.501 1.00 24.45 H new ATOM 0 HB2 PRO A 19 -10.068 -16.064 -26.013 1.00 44.51 H new ATOM 0 HB3 PRO A 19 -9.940 -16.674 -24.375 1.00 44.51 H new ATOM 0 HG2 PRO A 19 -11.334 -14.196 -25.369 1.00 61.04 H new ATOM 0 HG3 PRO A 19 -11.885 -15.370 -24.190 1.00 61.04 H new ATOM 0 HD2 PRO A 19 -10.813 -12.983 -23.433 1.00 65.12 H new ATOM 0 HD3 PRO A 19 -10.617 -14.425 -22.456 1.00 65.12 H new ATOM 301 N ASN A 20 -8.508 -13.021 -26.205 1.00 14.21 N ATOM 302 CA ASN A 20 -8.165 -12.265 -27.404 1.00 51.20 C ATOM 303 C ASN A 20 -6.653 -12.107 -27.534 1.00 32.21 C ATOM 304 O ASN A 20 -6.103 -12.178 -28.632 1.00 25.02 O ATOM 305 CB ASN A 20 -8.830 -10.888 -27.372 1.00 64.43 C ATOM 306 CG ASN A 20 -10.005 -10.791 -28.327 1.00 2.35 C ATOM 307 OD1 ASN A 20 -10.002 -9.979 -29.253 1.00 4.13 O ATOM 308 ND2 ASN A 20 -11.017 -11.621 -28.105 1.00 52.44 N ATOM 0 H ASN A 20 -8.980 -12.476 -25.483 1.00 14.21 H new ATOM 0 HA ASN A 20 -8.531 -12.819 -28.269 1.00 51.20 H new ATOM 0 HB2 ASN A 20 -9.170 -10.675 -26.359 1.00 64.43 H new ATOM 0 HB3 ASN A 20 -8.094 -10.126 -27.627 1.00 64.43 H new ATOM 0 HD21 ASN A 20 -11.835 -11.602 -28.714 1.00 52.44 H new ATOM 0 HD22 ASN A 20 -10.977 -12.278 -27.325 1.00 52.44 H new ATOM 315 N GLY A 21 -5.986 -11.895 -26.403 1.00 50.52 N ATOM 316 CA GLY A 21 -4.544 -11.732 -26.412 1.00 62.51 C ATOM 317 C GLY A 21 -3.810 -13.054 -26.309 1.00 11.23 C ATOM 318 O GLY A 21 -3.506 -13.700 -27.312 1.00 25.24 O ATOM 0 H GLY A 21 -6.419 -11.833 -25.481 1.00 50.52 H new ATOM 0 HA2 GLY A 21 -4.245 -11.224 -27.329 1.00 62.51 H new ATOM 0 HA3 GLY A 21 -4.249 -11.091 -25.582 1.00 62.51 H new ATOM 322 N PRO A 22 -3.514 -13.476 -25.070 1.00 62.45 N ATOM 323 CA PRO A 22 -2.807 -14.733 -24.810 1.00 23.24 C ATOM 324 C PRO A 22 -3.662 -15.956 -25.127 1.00 51.52 C ATOM 325 O PRO A 22 -4.889 -15.874 -25.161 1.00 44.23 O ATOM 326 CB PRO A 22 -2.504 -14.666 -23.311 1.00 44.15 C ATOM 327 CG PRO A 22 -3.552 -13.766 -22.753 1.00 54.42 C ATOM 328 CD PRO A 22 -3.847 -12.758 -23.828 1.00 52.42 C ATOM 0 HA PRO A 22 -1.919 -14.838 -25.434 1.00 23.24 H new ATOM 0 HB2 PRO A 22 -2.547 -15.655 -22.854 1.00 44.15 H new ATOM 0 HB3 PRO A 22 -1.505 -14.272 -23.126 1.00 44.15 H new ATOM 0 HG2 PRO A 22 -4.448 -14.327 -22.488 1.00 54.42 H new ATOM 0 HG3 PRO A 22 -3.202 -13.276 -21.844 1.00 54.42 H new ATOM 0 HD2 PRO A 22 -4.892 -12.447 -23.811 1.00 52.42 H new ATOM 0 HD3 PRO A 22 -3.244 -11.857 -23.711 1.00 52.42 H new ATOM 336 N ARG A 23 -3.004 -17.088 -25.358 1.00 3.14 N ATOM 337 CA ARG A 23 -3.705 -18.327 -25.672 1.00 53.14 C ATOM 338 C ARG A 23 -3.471 -19.375 -24.588 1.00 53.31 C ATOM 339 O ARG A 23 -2.584 -19.226 -23.747 1.00 11.32 O ATOM 340 CB ARG A 23 -3.244 -18.868 -27.027 1.00 65.52 C ATOM 341 CG ARG A 23 -4.253 -18.651 -28.144 1.00 43.32 C ATOM 342 CD ARG A 23 -4.774 -17.223 -28.155 1.00 4.23 C ATOM 343 NE ARG A 23 -4.685 -16.617 -29.480 1.00 13.13 N ATOM 344 CZ ARG A 23 -5.483 -16.940 -30.492 1.00 63.53 C ATOM 345 NH1 ARG A 23 -6.427 -17.856 -30.329 1.00 60.23 N1+ ATOM 346 NH2 ARG A 23 -5.338 -16.344 -31.669 1.00 32.33 N ATOM 0 H ARG A 23 -1.988 -17.172 -25.334 1.00 3.14 H new ATOM 0 HA ARG A 23 -4.772 -18.110 -25.718 1.00 53.14 H new ATOM 0 HB2 ARG A 23 -2.304 -18.388 -27.300 1.00 65.52 H new ATOM 0 HB3 ARG A 23 -3.042 -19.935 -26.933 1.00 65.52 H new ATOM 0 HG2 ARG A 23 -3.789 -18.877 -29.104 1.00 43.32 H new ATOM 0 HG3 ARG A 23 -5.087 -19.343 -28.022 1.00 43.32 H new ATOM 0 HD2 ARG A 23 -5.812 -17.213 -27.821 1.00 4.23 H new ATOM 0 HD3 ARG A 23 -4.205 -16.624 -27.444 1.00 4.23 H new ATOM 0 HE ARG A 23 -3.971 -15.906 -29.638 1.00 13.13 H new ATOM 0 HH11 ARG A 23 -6.542 -18.315 -29.425 1.00 60.23 H new ATOM 0 HH12 ARG A 23 -7.038 -18.102 -31.107 1.00 60.23 H new ATOM 0 HH21 ARG A 23 -4.614 -15.637 -31.797 1.00 32.33 H new ATOM 0 HH22 ARG A 23 -5.951 -16.593 -32.445 1.00 32.33 H new ATOM 360 N LYS A 24 -4.271 -20.434 -24.614 1.00 71.13 N ATOM 361 CA LYS A 24 -4.152 -21.508 -23.634 1.00 41.04 C ATOM 362 C LYS A 24 -2.706 -21.978 -23.516 1.00 22.22 C ATOM 363 O LYS A 24 -2.202 -22.691 -24.384 1.00 21.24 O ATOM 364 CB LYS A 24 -5.051 -22.683 -24.025 1.00 44.53 C ATOM 365 CG LYS A 24 -6.462 -22.579 -23.472 1.00 62.53 C ATOM 366 CD LYS A 24 -7.471 -23.256 -24.385 1.00 63.55 C ATOM 367 CE LYS A 24 -7.538 -24.753 -24.129 1.00 34.31 C ATOM 368 NZ LYS A 24 -6.560 -25.504 -24.963 1.00 63.14 N1+ ATOM 0 H LYS A 24 -5.010 -20.573 -25.303 1.00 71.13 H new ATOM 0 HA LYS A 24 -4.470 -21.121 -22.666 1.00 41.04 H new ATOM 0 HB2 LYS A 24 -5.099 -22.747 -25.112 1.00 44.53 H new ATOM 0 HB3 LYS A 24 -4.598 -23.609 -23.671 1.00 44.53 H new ATOM 0 HG2 LYS A 24 -6.501 -23.036 -22.483 1.00 62.53 H new ATOM 0 HG3 LYS A 24 -6.729 -21.529 -23.349 1.00 62.53 H new ATOM 0 HD2 LYS A 24 -8.456 -22.815 -24.231 1.00 63.55 H new ATOM 0 HD3 LYS A 24 -7.200 -23.076 -25.425 1.00 63.55 H new ATOM 0 HE2 LYS A 24 -7.343 -24.950 -23.075 1.00 34.31 H new ATOM 0 HE3 LYS A 24 -8.545 -25.112 -24.339 1.00 34.31 H new ATOM 0 HZ1 LYS A 24 -7.037 -26.310 -25.416 1.00 63.14 H new ATOM 0 HZ2 LYS A 24 -6.172 -24.875 -25.695 1.00 63.14 H new ATOM 0 HZ3 LYS A 24 -5.787 -25.853 -24.362 1.00 63.14 H new ATOM 382 N VAL A 25 -2.044 -21.575 -22.436 1.00 32.25 N ATOM 383 CA VAL A 25 -0.657 -21.956 -22.203 1.00 72.11 C ATOM 384 C VAL A 25 -0.538 -22.890 -21.004 1.00 51.12 C ATOM 385 O VAL A 25 -1.514 -23.135 -20.294 1.00 43.45 O ATOM 386 CB VAL A 25 0.234 -20.722 -21.968 1.00 34.14 C ATOM 387 CG1 VAL A 25 0.205 -19.804 -23.180 1.00 11.11 C ATOM 388 CG2 VAL A 25 -0.206 -19.980 -20.715 1.00 3.14 C ATOM 0 H VAL A 25 -2.447 -20.984 -21.708 1.00 32.25 H new ATOM 0 HA VAL A 25 -0.317 -22.474 -23.100 1.00 72.11 H new ATOM 0 HB VAL A 25 1.261 -21.058 -21.822 1.00 34.14 H new ATOM 0 HG11 VAL A 25 0.840 -18.938 -22.996 1.00 11.11 H new ATOM 0 HG12 VAL A 25 0.571 -20.343 -24.054 1.00 11.11 H new ATOM 0 HG13 VAL A 25 -0.817 -19.472 -23.361 1.00 11.11 H new ATOM 0 HG21 VAL A 25 0.434 -19.111 -20.563 1.00 3.14 H new ATOM 0 HG22 VAL A 25 -1.240 -19.654 -20.829 1.00 3.14 H new ATOM 0 HG23 VAL A 25 -0.128 -20.643 -19.853 1.00 3.14 H new ATOM 398 N LEU A 26 0.665 -23.411 -20.783 1.00 52.13 N ATOM 399 CA LEU A 26 0.912 -24.319 -19.668 1.00 53.31 C ATOM 400 C LEU A 26 2.236 -23.992 -18.983 1.00 41.52 C ATOM 401 O LEU A 26 3.092 -23.319 -19.555 1.00 23.31 O ATOM 402 CB LEU A 26 0.921 -25.768 -20.158 1.00 34.22 C ATOM 403 CG LEU A 26 1.646 -26.025 -21.479 1.00 5.53 C ATOM 404 CD1 LEU A 26 0.802 -25.550 -22.652 1.00 50.53 C ATOM 405 CD2 LEU A 26 3.005 -25.340 -21.485 1.00 1.25 C ATOM 0 H LEU A 26 1.484 -23.220 -21.361 1.00 52.13 H new ATOM 0 HA LEU A 26 0.108 -24.193 -18.942 1.00 53.31 H new ATOM 0 HB2 LEU A 26 1.380 -26.388 -19.388 1.00 34.22 H new ATOM 0 HB3 LEU A 26 -0.111 -26.102 -20.262 1.00 34.22 H new ATOM 0 HG LEU A 26 1.803 -27.099 -21.582 1.00 5.53 H new ATOM 0 HD11 LEU A 26 1.334 -25.741 -23.584 1.00 50.53 H new ATOM 0 HD12 LEU A 26 -0.146 -26.087 -22.659 1.00 50.53 H new ATOM 0 HD13 LEU A 26 0.613 -24.481 -22.555 1.00 50.53 H new ATOM 0 HD21 LEU A 26 3.506 -25.534 -22.433 1.00 1.25 H new ATOM 0 HD22 LEU A 26 2.871 -24.266 -21.359 1.00 1.25 H new ATOM 0 HD23 LEU A 26 3.612 -25.729 -20.667 1.00 1.25 H new ATOM 417 N GLY A 27 2.396 -24.477 -17.756 1.00 11.13 N ATOM 418 CA GLY A 27 3.619 -24.227 -17.014 1.00 74.50 C ATOM 419 C GLY A 27 3.368 -23.490 -15.714 1.00 72.22 C ATOM 420 O GLY A 27 2.225 -23.351 -15.280 1.00 33.15 O ATOM 0 H GLY A 27 1.702 -25.038 -17.262 1.00 11.13 H new ATOM 0 HA2 GLY A 27 4.111 -25.176 -16.801 1.00 74.50 H new ATOM 0 HA3 GLY A 27 4.303 -23.645 -17.632 1.00 74.50 H new ATOM 424 N VAL A 28 4.441 -23.017 -15.088 1.00 0.31 N ATOM 425 CA VAL A 28 4.332 -22.290 -13.828 1.00 11.43 C ATOM 426 C VAL A 28 5.411 -21.218 -13.717 1.00 12.21 C ATOM 427 O VAL A 28 6.477 -21.331 -14.323 1.00 72.43 O ATOM 428 CB VAL A 28 4.442 -23.241 -12.621 1.00 51.42 C ATOM 429 CG1 VAL A 28 3.732 -22.650 -11.411 1.00 54.12 C ATOM 430 CG2 VAL A 28 3.875 -24.609 -12.967 1.00 65.50 C ATOM 0 H VAL A 28 5.395 -23.124 -15.432 1.00 0.31 H new ATOM 0 HA VAL A 28 3.351 -21.816 -13.819 1.00 11.43 H new ATOM 0 HB VAL A 28 5.496 -23.364 -12.371 1.00 51.42 H new ATOM 0 HG11 VAL A 28 3.820 -23.335 -10.567 1.00 54.12 H new ATOM 0 HG12 VAL A 28 4.189 -21.695 -11.152 1.00 54.12 H new ATOM 0 HG13 VAL A 28 2.679 -22.497 -11.646 1.00 54.12 H new ATOM 0 HG21 VAL A 28 3.961 -25.268 -12.103 1.00 65.50 H new ATOM 0 HG22 VAL A 28 2.825 -24.509 -13.244 1.00 65.50 H new ATOM 0 HG23 VAL A 28 4.432 -25.033 -13.803 1.00 65.50 H new ATOM 440 N PHE A 29 5.128 -20.180 -12.939 1.00 21.24 N ATOM 441 CA PHE A 29 6.074 -19.086 -12.747 1.00 24.31 C ATOM 442 C PHE A 29 6.434 -18.931 -11.273 1.00 74.32 C ATOM 443 O PHE A 29 5.591 -19.113 -10.395 1.00 14.41 O ATOM 444 CB PHE A 29 5.489 -17.778 -13.283 1.00 62.43 C ATOM 445 CG PHE A 29 5.280 -17.779 -14.770 1.00 74.23 C ATOM 446 CD1 PHE A 29 4.115 -17.268 -15.320 1.00 73.12 C ATOM 447 CD2 PHE A 29 6.248 -18.292 -15.618 1.00 0.33 C ATOM 448 CE1 PHE A 29 3.920 -17.267 -16.688 1.00 43.11 C ATOM 449 CE2 PHE A 29 6.058 -18.293 -16.987 1.00 64.12 C ATOM 450 CZ PHE A 29 4.892 -17.782 -17.523 1.00 52.54 C ATOM 0 H PHE A 29 4.251 -20.072 -12.430 1.00 21.24 H new ATOM 0 HA PHE A 29 6.983 -19.322 -13.301 1.00 24.31 H new ATOM 0 HB2 PHE A 29 4.536 -17.587 -12.790 1.00 62.43 H new ATOM 0 HB3 PHE A 29 6.155 -16.956 -13.018 1.00 62.43 H new ATOM 0 HD1 PHE A 29 3.351 -16.866 -14.672 1.00 73.12 H new ATOM 0 HD2 PHE A 29 7.161 -18.695 -15.205 1.00 0.33 H new ATOM 0 HE1 PHE A 29 3.008 -16.864 -17.104 1.00 43.11 H new ATOM 0 HE2 PHE A 29 6.821 -18.693 -17.638 1.00 64.12 H new ATOM 0 HZ PHE A 29 4.741 -17.785 -18.592 1.00 52.54 H new ATOM 460 N GLN A 30 7.692 -18.592 -11.010 1.00 73.10 N ATOM 461 CA GLN A 30 8.165 -18.412 -9.643 1.00 2.03 C ATOM 462 C GLN A 30 8.627 -16.978 -9.411 1.00 32.14 C ATOM 463 O GLN A 30 9.771 -16.627 -9.704 1.00 10.04 O ATOM 464 CB GLN A 30 9.308 -19.383 -9.344 1.00 11.10 C ATOM 465 CG GLN A 30 9.624 -19.513 -7.863 1.00 21.52 C ATOM 466 CD GLN A 30 8.385 -19.725 -7.017 1.00 3.11 C ATOM 467 OE1 GLN A 30 7.580 -20.618 -7.287 1.00 64.02 O ATOM 468 NE2 GLN A 30 8.223 -18.905 -5.986 1.00 1.20 N ATOM 0 H GLN A 30 8.402 -18.437 -11.726 1.00 73.10 H new ATOM 0 HA GLN A 30 7.335 -18.620 -8.968 1.00 2.03 H new ATOM 0 HB2 GLN A 30 9.052 -20.366 -9.740 1.00 11.10 H new ATOM 0 HB3 GLN A 30 10.203 -19.051 -9.870 1.00 11.10 H new ATOM 0 HG2 GLN A 30 10.308 -20.348 -7.714 1.00 21.52 H new ATOM 0 HG3 GLN A 30 10.140 -18.614 -7.526 1.00 21.52 H new ATOM 0 HE21 GLN A 30 8.914 -18.179 -5.798 1.00 1.20 H new ATOM 0 HE22 GLN A 30 7.407 -19.001 -5.381 1.00 1.20 H new ATOM 477 N LEU A 31 7.731 -16.151 -8.882 1.00 65.02 N ATOM 478 CA LEU A 31 8.047 -14.752 -8.610 1.00 54.50 C ATOM 479 C LEU A 31 8.742 -14.603 -7.260 1.00 53.24 C ATOM 480 O LEU A 31 8.245 -15.076 -6.239 1.00 13.04 O ATOM 481 CB LEU A 31 6.773 -13.907 -8.636 1.00 52.25 C ATOM 482 CG LEU A 31 6.929 -12.475 -9.148 1.00 62.25 C ATOM 483 CD1 LEU A 31 5.703 -11.646 -8.796 1.00 62.41 C ATOM 484 CD2 LEU A 31 8.187 -11.838 -8.577 1.00 64.43 C ATOM 0 H LEU A 31 6.780 -16.425 -8.633 1.00 65.02 H new ATOM 0 HA LEU A 31 8.725 -14.400 -9.388 1.00 54.50 H new ATOM 0 HB2 LEU A 31 6.036 -14.416 -9.257 1.00 52.25 H new ATOM 0 HB3 LEU A 31 6.366 -13.868 -7.626 1.00 52.25 H new ATOM 0 HG LEU A 31 7.022 -12.506 -10.234 1.00 62.25 H new ATOM 0 HD11 LEU A 31 5.832 -10.630 -9.168 1.00 62.41 H new ATOM 0 HD12 LEU A 31 4.819 -12.091 -9.254 1.00 62.41 H new ATOM 0 HD13 LEU A 31 5.578 -11.623 -7.713 1.00 62.41 H new ATOM 0 HD21 LEU A 31 8.281 -10.819 -8.952 1.00 64.43 H new ATOM 0 HD22 LEU A 31 8.124 -11.819 -7.489 1.00 64.43 H new ATOM 0 HD23 LEU A 31 9.058 -12.419 -8.880 1.00 64.43 H new ATOM 496 N ASN A 32 9.895 -13.942 -7.263 1.00 55.44 N ATOM 497 CA ASN A 32 10.658 -13.730 -6.039 1.00 63.23 C ATOM 498 C ASN A 32 10.874 -12.241 -5.784 1.00 53.21 C ATOM 499 O ASN A 32 11.361 -11.516 -6.653 1.00 30.12 O ATOM 500 CB ASN A 32 12.008 -14.445 -6.123 1.00 15.22 C ATOM 501 CG ASN A 32 11.883 -15.852 -6.676 1.00 74.20 C ATOM 502 OD1 ASN A 32 10.821 -16.469 -6.598 1.00 54.54 O ATOM 503 ND2 ASN A 32 12.970 -16.364 -7.239 1.00 41.33 N ATOM 0 H ASN A 32 10.321 -13.544 -8.100 1.00 55.44 H new ATOM 0 HA ASN A 32 10.087 -14.144 -5.208 1.00 63.23 H new ATOM 0 HB2 ASN A 32 12.683 -13.868 -6.755 1.00 15.22 H new ATOM 0 HB3 ASN A 32 12.457 -14.486 -5.131 1.00 15.22 H new ATOM 0 HD21 ASN A 32 12.947 -17.306 -7.630 1.00 41.33 H new ATOM 0 HD22 ASN A 32 13.829 -15.816 -7.281 1.00 41.33 H new ATOM 510 N ILE A 33 10.509 -11.791 -4.588 1.00 31.21 N ATOM 511 CA ILE A 33 10.664 -10.389 -4.220 1.00 31.14 C ATOM 512 C ILE A 33 11.508 -10.243 -2.958 1.00 52.44 C ATOM 513 O ILE A 33 11.313 -10.967 -1.981 1.00 11.10 O ATOM 514 CB ILE A 33 9.300 -9.712 -3.993 1.00 13.11 C ATOM 515 CG1 ILE A 33 8.425 -9.846 -5.242 1.00 12.13 C ATOM 516 CG2 ILE A 33 9.490 -8.248 -3.626 1.00 60.34 C ATOM 517 CD1 ILE A 33 7.521 -11.058 -5.220 1.00 72.22 C ATOM 0 H ILE A 33 10.104 -12.377 -3.858 1.00 31.21 H new ATOM 0 HA ILE A 33 11.169 -9.898 -5.052 1.00 31.14 H new ATOM 0 HB ILE A 33 8.796 -10.211 -3.165 1.00 13.11 H new ATOM 0 HG12 ILE A 33 7.814 -8.949 -5.345 1.00 12.13 H new ATOM 0 HG13 ILE A 33 9.067 -9.898 -6.121 1.00 12.13 H new ATOM 0 HG21 ILE A 33 8.517 -7.783 -3.469 1.00 60.34 H new ATOM 0 HG22 ILE A 33 10.079 -8.176 -2.712 1.00 60.34 H new ATOM 0 HG23 ILE A 33 10.011 -7.735 -4.434 1.00 60.34 H new ATOM 0 HD11 ILE A 33 6.931 -11.088 -6.136 1.00 72.22 H new ATOM 0 HD12 ILE A 33 8.126 -11.962 -5.148 1.00 72.22 H new ATOM 0 HD13 ILE A 33 6.854 -10.999 -4.360 1.00 72.22 H new ATOM 529 N LYS A 34 12.444 -9.302 -2.985 1.00 22.24 N ATOM 530 CA LYS A 34 13.317 -9.057 -1.842 1.00 23.21 C ATOM 531 C LYS A 34 12.525 -8.509 -0.660 1.00 44.34 C ATOM 532 O LYS A 34 11.473 -7.893 -0.835 1.00 15.11 O ATOM 533 CB LYS A 34 14.428 -8.076 -2.224 1.00 53.34 C ATOM 534 CG LYS A 34 15.624 -8.739 -2.886 1.00 41.43 C ATOM 535 CD LYS A 34 15.888 -8.161 -4.266 1.00 33.21 C ATOM 536 CE LYS A 34 17.378 -8.084 -4.562 1.00 40.23 C ATOM 537 NZ LYS A 34 17.986 -9.437 -4.697 1.00 30.42 N1+ ATOM 0 H LYS A 34 12.619 -8.695 -3.786 1.00 22.24 H new ATOM 0 HA LYS A 34 13.764 -10.007 -1.548 1.00 23.21 H new ATOM 0 HB2 LYS A 34 14.020 -7.324 -2.899 1.00 53.34 H new ATOM 0 HB3 LYS A 34 14.763 -7.553 -1.328 1.00 53.34 H new ATOM 0 HG2 LYS A 34 16.507 -8.607 -2.260 1.00 41.43 H new ATOM 0 HG3 LYS A 34 15.448 -9.812 -2.967 1.00 41.43 H new ATOM 0 HD2 LYS A 34 15.398 -8.777 -5.020 1.00 33.21 H new ATOM 0 HD3 LYS A 34 15.450 -7.165 -4.334 1.00 33.21 H new ATOM 0 HE2 LYS A 34 17.537 -7.521 -5.481 1.00 40.23 H new ATOM 0 HE3 LYS A 34 17.880 -7.538 -3.763 1.00 40.23 H new ATOM 0 HZ1 LYS A 34 19.002 -9.343 -4.898 1.00 30.42 H new ATOM 0 HZ2 LYS A 34 17.856 -9.966 -3.811 1.00 30.42 H new ATOM 0 HZ3 LYS A 34 17.525 -9.949 -5.476 1.00 30.42 H new ATOM 551 N THR A 35 13.035 -8.738 0.546 1.00 41.14 N ATOM 552 CA THR A 35 12.375 -8.267 1.757 1.00 62.04 C ATOM 553 C THR A 35 13.395 -7.869 2.819 1.00 21.21 C ATOM 554 O THR A 35 14.601 -7.991 2.612 1.00 42.41 O ATOM 555 CB THR A 35 11.437 -9.341 2.340 1.00 73.14 C ATOM 556 OG1 THR A 35 12.194 -10.304 3.079 1.00 74.33 O ATOM 557 CG2 THR A 35 10.661 -10.038 1.233 1.00 21.11 C ATOM 0 H THR A 35 13.904 -9.247 0.710 1.00 41.14 H new ATOM 0 HA THR A 35 11.786 -7.394 1.477 1.00 62.04 H new ATOM 0 HB THR A 35 10.728 -8.850 3.006 1.00 73.14 H new ATOM 0 HG1 THR A 35 11.590 -10.982 3.447 1.00 74.33 H new ATOM 0 HG21 THR A 35 10.005 -10.792 1.668 1.00 21.11 H new ATOM 0 HG22 THR A 35 10.063 -9.305 0.691 1.00 21.11 H new ATOM 0 HG23 THR A 35 11.358 -10.516 0.545 1.00 21.11 H new ATOM 565 N ALA A 36 12.900 -7.392 3.957 1.00 32.44 N ATOM 566 CA ALA A 36 13.769 -6.979 5.054 1.00 70.24 C ATOM 567 C ALA A 36 14.287 -8.187 5.828 1.00 54.21 C ATOM 568 O ALA A 36 15.272 -8.090 6.558 1.00 10.51 O ATOM 569 CB ALA A 36 13.028 -6.031 5.985 1.00 11.33 C ATOM 0 H ALA A 36 11.903 -7.282 4.144 1.00 32.44 H new ATOM 0 HA ALA A 36 14.627 -6.457 4.630 1.00 70.24 H new ATOM 0 HB1 ALA A 36 13.688 -5.731 6.799 1.00 11.33 H new ATOM 0 HB2 ALA A 36 12.712 -5.148 5.429 1.00 11.33 H new ATOM 0 HB3 ALA A 36 12.152 -6.534 6.395 1.00 11.33 H new ATOM 575 N SER A 37 13.616 -9.322 5.664 1.00 12.43 N ATOM 576 CA SER A 37 14.006 -10.547 6.352 1.00 24.12 C ATOM 577 C SER A 37 14.420 -11.623 5.353 1.00 71.45 C ATOM 578 O SER A 37 14.427 -12.811 5.670 1.00 35.33 O ATOM 579 CB SER A 37 12.855 -11.057 7.221 1.00 74.34 C ATOM 580 OG SER A 37 13.266 -11.214 8.569 1.00 31.32 O ATOM 0 H SER A 37 12.799 -9.419 5.061 1.00 12.43 H new ATOM 0 HA SER A 37 14.860 -10.320 6.990 1.00 24.12 H new ATOM 0 HB2 SER A 37 12.020 -10.358 7.171 1.00 74.34 H new ATOM 0 HB3 SER A 37 12.497 -12.011 6.833 1.00 74.34 H new ATOM 0 HG SER A 37 12.513 -11.539 9.105 1.00 31.32 H new ATOM 586 N GLY A 38 14.764 -11.196 4.141 1.00 20.32 N ATOM 587 CA GLY A 38 15.173 -12.135 3.113 1.00 11.02 C ATOM 588 C GLY A 38 14.432 -11.923 1.807 1.00 44.13 C ATOM 589 O GLY A 38 14.438 -10.824 1.253 1.00 2.10 O ATOM 0 H GLY A 38 14.767 -10.217 3.853 1.00 20.32 H new ATOM 0 HA2 GLY A 38 16.245 -12.035 2.940 1.00 11.02 H new ATOM 0 HA3 GLY A 38 15.000 -13.152 3.465 1.00 11.02 H new ATOM 593 N VAL A 39 13.795 -12.980 1.313 1.00 25.01 N ATOM 594 CA VAL A 39 13.047 -12.906 0.064 1.00 53.13 C ATOM 595 C VAL A 39 11.742 -13.688 0.158 1.00 4.40 C ATOM 596 O VAL A 39 11.683 -14.740 0.792 1.00 12.03 O ATOM 597 CB VAL A 39 13.873 -13.447 -1.119 1.00 31.52 C ATOM 598 CG1 VAL A 39 13.905 -14.968 -1.096 1.00 45.01 C ATOM 599 CG2 VAL A 39 13.313 -12.936 -2.437 1.00 44.20 C ATOM 0 H VAL A 39 13.782 -13.897 1.759 1.00 25.01 H new ATOM 0 HA VAL A 39 12.825 -11.853 -0.110 1.00 53.13 H new ATOM 0 HB VAL A 39 14.896 -13.085 -1.022 1.00 31.52 H new ATOM 0 HG11 VAL A 39 14.493 -15.332 -1.939 1.00 45.01 H new ATOM 0 HG12 VAL A 39 14.357 -15.308 -0.164 1.00 45.01 H new ATOM 0 HG13 VAL A 39 12.888 -15.354 -1.169 1.00 45.01 H new ATOM 0 HG21 VAL A 39 13.908 -13.328 -3.262 1.00 44.20 H new ATOM 0 HG22 VAL A 39 12.280 -13.267 -2.546 1.00 44.20 H new ATOM 0 HG23 VAL A 39 13.348 -11.847 -2.449 1.00 44.20 H new ATOM 609 N GLU A 40 10.698 -13.166 -0.479 1.00 32.42 N ATOM 610 CA GLU A 40 9.393 -13.817 -0.467 1.00 60.10 C ATOM 611 C GLU A 40 9.115 -14.503 -1.801 1.00 42.53 C ATOM 612 O GLU A 40 9.120 -13.862 -2.852 1.00 20.13 O ATOM 613 CB GLU A 40 8.293 -12.797 -0.165 1.00 24.13 C ATOM 614 CG GLU A 40 8.412 -11.516 -0.974 1.00 11.04 C ATOM 615 CD GLU A 40 7.314 -10.521 -0.656 1.00 24.31 C ATOM 616 OE1 GLU A 40 7.529 -9.311 -0.876 1.00 60.43 O ATOM 617 OE2 GLU A 40 6.239 -10.951 -0.186 1.00 55.13 O1- ATOM 0 H GLU A 40 10.731 -12.295 -1.009 1.00 32.42 H new ATOM 0 HA GLU A 40 9.400 -14.575 0.316 1.00 60.10 H new ATOM 0 HB2 GLU A 40 7.323 -13.253 -0.362 1.00 24.13 H new ATOM 0 HB3 GLU A 40 8.319 -12.550 0.896 1.00 24.13 H new ATOM 0 HG2 GLU A 40 9.381 -11.056 -0.779 1.00 11.04 H new ATOM 0 HG3 GLU A 40 8.382 -11.758 -2.036 1.00 11.04 H new ATOM 624 N GLN A 41 8.873 -15.809 -1.750 1.00 42.11 N ATOM 625 CA GLN A 41 8.594 -16.582 -2.954 1.00 75.52 C ATOM 626 C GLN A 41 7.107 -16.542 -3.294 1.00 53.35 C ATOM 627 O GLN A 41 6.267 -16.331 -2.420 1.00 61.42 O ATOM 628 CB GLN A 41 9.049 -18.030 -2.772 1.00 53.24 C ATOM 629 CG GLN A 41 10.550 -18.177 -2.581 1.00 24.20 C ATOM 630 CD GLN A 41 11.263 -18.588 -3.854 1.00 1.24 C ATOM 631 OE1 GLN A 41 10.656 -19.150 -4.766 1.00 52.30 O ATOM 632 NE2 GLN A 41 12.560 -18.310 -3.923 1.00 4.21 N ATOM 0 H GLN A 41 8.865 -16.354 -0.888 1.00 42.11 H new ATOM 0 HA GLN A 41 9.149 -16.136 -3.779 1.00 75.52 H new ATOM 0 HB2 GLN A 41 8.538 -18.457 -1.909 1.00 53.24 H new ATOM 0 HB3 GLN A 41 8.743 -18.610 -3.643 1.00 53.24 H new ATOM 0 HG2 GLN A 41 10.962 -17.232 -2.228 1.00 24.20 H new ATOM 0 HG3 GLN A 41 10.743 -18.918 -1.806 1.00 24.20 H new ATOM 0 HE21 GLN A 41 13.024 -17.843 -3.144 1.00 4.21 H new ATOM 0 HE22 GLN A 41 13.092 -18.564 -4.755 1.00 4.21 H new ATOM 641 N TRP A 42 6.792 -16.747 -4.568 1.00 43.02 N ATOM 642 CA TRP A 42 5.406 -16.734 -5.023 1.00 5.44 C ATOM 643 C TRP A 42 5.207 -17.694 -6.190 1.00 60.44 C ATOM 644 O TRP A 42 6.037 -17.761 -7.098 1.00 11.52 O ATOM 645 CB TRP A 42 4.995 -15.319 -5.434 1.00 34.30 C ATOM 646 CG TRP A 42 5.060 -14.332 -4.309 1.00 73.05 C ATOM 647 CD1 TRP A 42 6.155 -13.623 -3.902 1.00 55.51 C ATOM 648 CD2 TRP A 42 3.985 -13.944 -3.446 1.00 63.13 C ATOM 649 NE1 TRP A 42 5.825 -12.819 -2.837 1.00 41.21 N ATOM 650 CE2 TRP A 42 4.500 -12.997 -2.539 1.00 71.54 C ATOM 651 CE3 TRP A 42 2.638 -14.304 -3.351 1.00 23.42 C ATOM 652 CZ2 TRP A 42 3.714 -12.408 -1.552 1.00 54.54 C ATOM 653 CZ3 TRP A 42 1.859 -13.718 -2.372 1.00 35.41 C ATOM 654 CH2 TRP A 42 2.398 -12.779 -1.482 1.00 22.13 C ATOM 0 H TRP A 42 7.476 -16.924 -5.303 1.00 43.02 H new ATOM 0 HA TRP A 42 4.776 -17.062 -4.196 1.00 5.44 H new ATOM 0 HB2 TRP A 42 5.643 -14.981 -6.243 1.00 34.30 H new ATOM 0 HB3 TRP A 42 3.979 -15.343 -5.828 1.00 34.30 H new ATOM 0 HD1 TRP A 42 7.135 -13.685 -4.351 1.00 55.51 H new ATOM 0 HE1 TRP A 42 6.463 -12.192 -2.348 1.00 41.21 H new ATOM 0 HE3 TRP A 42 2.213 -15.028 -4.031 1.00 23.42 H new ATOM 0 HZ2 TRP A 42 4.128 -11.684 -0.866 1.00 54.54 H new ATOM 0 HZ3 TRP A 42 0.816 -13.988 -2.291 1.00 35.41 H new ATOM 0 HH2 TRP A 42 1.763 -12.340 -0.727 1.00 22.13 H new ATOM 665 N ILE A 43 4.105 -18.435 -6.160 1.00 22.22 N ATOM 666 CA ILE A 43 3.798 -19.390 -7.218 1.00 14.53 C ATOM 667 C ILE A 43 2.660 -18.887 -8.100 1.00 73.12 C ATOM 668 O ILE A 43 1.510 -18.812 -7.666 1.00 34.33 O ATOM 669 CB ILE A 43 3.417 -20.766 -6.641 1.00 20.41 C ATOM 670 CG1 ILE A 43 4.510 -21.269 -5.698 1.00 31.22 C ATOM 671 CG2 ILE A 43 3.179 -21.764 -7.765 1.00 31.11 C ATOM 672 CD1 ILE A 43 4.096 -21.280 -4.243 1.00 2.14 C ATOM 0 H ILE A 43 3.410 -18.393 -5.415 1.00 22.22 H new ATOM 0 HA ILE A 43 4.701 -19.495 -7.820 1.00 14.53 H new ATOM 0 HB ILE A 43 2.493 -20.661 -6.072 1.00 20.41 H new ATOM 0 HG12 ILE A 43 4.797 -22.278 -5.993 1.00 31.22 H new ATOM 0 HG13 ILE A 43 5.393 -20.641 -5.811 1.00 31.22 H new ATOM 0 HG21 ILE A 43 2.911 -22.732 -7.341 1.00 31.11 H new ATOM 0 HG22 ILE A 43 2.368 -21.409 -8.401 1.00 31.11 H new ATOM 0 HG23 ILE A 43 4.087 -21.867 -8.358 1.00 31.11 H new ATOM 0 HD11 ILE A 43 4.921 -21.648 -3.633 1.00 2.14 H new ATOM 0 HD12 ILE A 43 3.837 -20.268 -3.931 1.00 2.14 H new ATOM 0 HD13 ILE A 43 3.231 -21.931 -4.116 1.00 2.14 H new ATOM 684 N VAL A 44 2.988 -18.546 -9.342 1.00 32.54 N ATOM 685 CA VAL A 44 1.993 -18.053 -10.287 1.00 1.41 C ATOM 686 C VAL A 44 1.875 -18.977 -11.493 1.00 62.00 C ATOM 687 O VAL A 44 2.722 -18.961 -12.386 1.00 64.24 O ATOM 688 CB VAL A 44 2.336 -16.633 -10.775 1.00 75.11 C ATOM 689 CG1 VAL A 44 1.571 -15.593 -9.969 1.00 0.24 C ATOM 690 CG2 VAL A 44 3.835 -16.389 -10.690 1.00 14.24 C ATOM 0 H VAL A 44 3.935 -18.602 -9.717 1.00 32.54 H new ATOM 0 HA VAL A 44 1.041 -18.027 -9.757 1.00 1.41 H new ATOM 0 HB VAL A 44 2.035 -16.542 -11.819 1.00 75.11 H new ATOM 0 HG11 VAL A 44 1.826 -14.596 -10.327 1.00 0.24 H new ATOM 0 HG12 VAL A 44 0.500 -15.758 -10.086 1.00 0.24 H new ATOM 0 HG13 VAL A 44 1.839 -15.680 -8.916 1.00 0.24 H new ATOM 0 HG21 VAL A 44 4.060 -15.381 -11.039 1.00 14.24 H new ATOM 0 HG22 VAL A 44 4.163 -16.497 -9.656 1.00 14.24 H new ATOM 0 HG23 VAL A 44 4.358 -17.114 -11.314 1.00 14.24 H new ATOM 700 N ASP A 45 0.819 -19.783 -11.515 1.00 45.32 N ATOM 701 CA ASP A 45 0.588 -20.715 -12.612 1.00 21.31 C ATOM 702 C ASP A 45 -0.091 -20.014 -13.786 1.00 43.53 C ATOM 703 O ASP A 45 -0.784 -19.013 -13.607 1.00 12.42 O ATOM 704 CB ASP A 45 -0.267 -21.892 -12.140 1.00 64.12 C ATOM 705 CG ASP A 45 -1.337 -22.269 -13.146 1.00 63.33 C ATOM 706 OD1 ASP A 45 -2.355 -21.549 -13.229 1.00 21.05 O ATOM 707 OD2 ASP A 45 -1.157 -23.284 -13.850 1.00 51.12 O1- ATOM 0 H ASP A 45 0.108 -19.809 -10.784 1.00 45.32 H new ATOM 0 HA ASP A 45 1.555 -21.091 -12.946 1.00 21.31 H new ATOM 0 HB2 ASP A 45 0.375 -22.753 -11.957 1.00 64.12 H new ATOM 0 HB3 ASP A 45 -0.738 -21.638 -11.191 1.00 64.12 H new ATOM 712 N LEU A 46 0.115 -20.547 -14.985 1.00 52.01 N ATOM 713 CA LEU A 46 -0.476 -19.973 -16.189 1.00 33.22 C ATOM 714 C LEU A 46 -1.531 -20.907 -16.775 1.00 13.22 C ATOM 715 O LEU A 46 -2.336 -20.502 -17.615 1.00 72.41 O ATOM 716 CB LEU A 46 0.609 -19.693 -17.230 1.00 61.21 C ATOM 717 CG LEU A 46 1.676 -20.775 -17.394 1.00 13.54 C ATOM 718 CD1 LEU A 46 2.236 -20.761 -18.808 1.00 24.32 C ATOM 719 CD2 LEU A 46 2.791 -20.584 -16.376 1.00 32.43 C ATOM 0 H LEU A 46 0.687 -21.376 -15.150 1.00 52.01 H new ATOM 0 HA LEU A 46 -0.959 -19.035 -15.916 1.00 33.22 H new ATOM 0 HB2 LEU A 46 0.127 -19.537 -18.195 1.00 61.21 H new ATOM 0 HB3 LEU A 46 1.105 -18.759 -16.967 1.00 61.21 H new ATOM 0 HG LEU A 46 1.212 -21.745 -17.217 1.00 13.54 H new ATOM 0 HD11 LEU A 46 2.994 -21.538 -18.907 1.00 24.32 H new ATOM 0 HD12 LEU A 46 1.432 -20.947 -19.520 1.00 24.32 H new ATOM 0 HD13 LEU A 46 2.684 -19.789 -19.012 1.00 24.32 H new ATOM 0 HD21 LEU A 46 3.541 -21.363 -16.508 1.00 32.43 H new ATOM 0 HD22 LEU A 46 3.253 -19.607 -16.521 1.00 32.43 H new ATOM 0 HD23 LEU A 46 2.378 -20.644 -15.369 1.00 32.43 H new ATOM 731 N LYS A 47 -1.523 -22.157 -16.327 1.00 32.14 N ATOM 732 CA LYS A 47 -2.480 -23.148 -16.804 1.00 73.41 C ATOM 733 C LYS A 47 -3.902 -22.769 -16.402 1.00 25.15 C ATOM 734 O LYS A 47 -4.807 -22.749 -17.235 1.00 30.54 O ATOM 735 CB LYS A 47 -2.132 -24.531 -16.249 1.00 12.14 C ATOM 736 CG LYS A 47 -0.652 -24.862 -16.323 1.00 71.22 C ATOM 737 CD LYS A 47 -0.423 -26.288 -16.797 1.00 44.04 C ATOM 738 CE LYS A 47 0.615 -27.000 -15.943 1.00 52.41 C ATOM 739 NZ LYS A 47 1.403 -27.986 -16.735 1.00 64.34 N1+ ATOM 0 H LYS A 47 -0.863 -22.509 -15.633 1.00 32.14 H new ATOM 0 HA LYS A 47 -2.425 -23.176 -17.892 1.00 73.41 H new ATOM 0 HB2 LYS A 47 -2.457 -24.588 -15.210 1.00 12.14 H new ATOM 0 HB3 LYS A 47 -2.692 -25.286 -16.800 1.00 12.14 H new ATOM 0 HG2 LYS A 47 -0.156 -24.168 -17.002 1.00 71.22 H new ATOM 0 HG3 LYS A 47 -0.198 -24.727 -15.341 1.00 71.22 H new ATOM 0 HD2 LYS A 47 -1.363 -26.839 -16.764 1.00 44.04 H new ATOM 0 HD3 LYS A 47 -0.096 -26.279 -17.837 1.00 44.04 H new ATOM 0 HE2 LYS A 47 1.289 -26.265 -15.503 1.00 52.41 H new ATOM 0 HE3 LYS A 47 0.118 -27.511 -15.118 1.00 52.41 H new ATOM 0 HZ1 LYS A 47 2.099 -28.450 -16.118 1.00 64.34 H new ATOM 0 HZ2 LYS A 47 0.763 -28.702 -17.134 1.00 64.34 H new ATOM 0 HZ3 LYS A 47 1.898 -27.495 -17.507 1.00 64.34 H new ATOM 753 N GLN A 48 -4.088 -22.468 -15.120 1.00 45.21 N ATOM 754 CA GLN A 48 -5.400 -22.088 -14.609 1.00 10.22 C ATOM 755 C GLN A 48 -5.420 -20.620 -14.197 1.00 4.23 C ATOM 756 O GLN A 48 -6.444 -20.105 -13.746 1.00 2.01 O ATOM 757 CB GLN A 48 -5.782 -22.970 -13.419 1.00 63.24 C ATOM 758 CG GLN A 48 -5.834 -24.452 -13.752 1.00 72.31 C ATOM 759 CD GLN A 48 -6.341 -25.292 -12.595 1.00 33.43 C ATOM 760 OE1 GLN A 48 -7.255 -26.101 -12.754 1.00 25.31 O ATOM 761 NE2 GLN A 48 -5.747 -25.105 -11.423 1.00 43.10 N ATOM 0 H GLN A 48 -3.348 -22.480 -14.418 1.00 45.21 H new ATOM 0 HA GLN A 48 -6.128 -22.232 -15.407 1.00 10.22 H new ATOM 0 HB2 GLN A 48 -5.063 -22.812 -12.615 1.00 63.24 H new ATOM 0 HB3 GLN A 48 -6.756 -22.656 -13.043 1.00 63.24 H new ATOM 0 HG2 GLN A 48 -6.480 -24.604 -14.617 1.00 72.31 H new ATOM 0 HG3 GLN A 48 -4.838 -24.792 -14.034 1.00 72.31 H new ATOM 0 HE21 GLN A 48 -4.993 -24.424 -11.336 1.00 43.10 H new ATOM 0 HE22 GLN A 48 -6.044 -25.643 -10.609 1.00 43.10 H new ATOM 770 N LEU A 49 -4.283 -19.951 -14.355 1.00 40.44 N ATOM 771 CA LEU A 49 -4.170 -18.541 -13.999 1.00 12.54 C ATOM 772 C LEU A 49 -4.465 -18.328 -12.517 1.00 71.02 C ATOM 773 O LEU A 49 -5.579 -17.959 -12.143 1.00 2.15 O ATOM 774 CB LEU A 49 -5.126 -17.702 -14.847 1.00 75.10 C ATOM 775 CG LEU A 49 -4.763 -17.560 -16.326 1.00 14.43 C ATOM 776 CD1 LEU A 49 -3.320 -17.104 -16.480 1.00 31.41 C ATOM 777 CD2 LEU A 49 -4.990 -18.874 -17.059 1.00 22.10 C ATOM 0 H LEU A 49 -3.427 -20.362 -14.727 1.00 40.44 H new ATOM 0 HA LEU A 49 -3.146 -18.223 -14.196 1.00 12.54 H new ATOM 0 HB2 LEU A 49 -6.121 -18.141 -14.778 1.00 75.10 H new ATOM 0 HB3 LEU A 49 -5.187 -16.705 -14.411 1.00 75.10 H new ATOM 0 HG LEU A 49 -5.411 -16.803 -16.769 1.00 14.43 H new ATOM 0 HD11 LEU A 49 -3.080 -17.008 -17.539 1.00 31.41 H new ATOM 0 HD12 LEU A 49 -3.189 -16.139 -15.990 1.00 31.41 H new ATOM 0 HD13 LEU A 49 -2.656 -17.837 -16.022 1.00 31.41 H new ATOM 0 HD21 LEU A 49 -4.727 -18.755 -18.110 1.00 22.10 H new ATOM 0 HD22 LEU A 49 -4.367 -19.651 -16.615 1.00 22.10 H new ATOM 0 HD23 LEU A 49 -6.039 -19.159 -16.978 1.00 22.10 H new ATOM 789 N LYS A 50 -3.461 -18.560 -11.680 1.00 54.03 N ATOM 790 CA LYS A 50 -3.612 -18.391 -10.239 1.00 73.12 C ATOM 791 C LYS A 50 -2.313 -17.892 -9.612 1.00 13.13 C ATOM 792 O LYS A 50 -1.295 -17.758 -10.291 1.00 33.05 O ATOM 793 CB LYS A 50 -4.029 -19.712 -9.590 1.00 23.41 C ATOM 794 CG LYS A 50 -2.961 -20.789 -9.662 1.00 12.24 C ATOM 795 CD LYS A 50 -2.236 -20.946 -8.335 1.00 71.24 C ATOM 796 CE LYS A 50 -2.684 -22.200 -7.601 1.00 14.43 C ATOM 797 NZ LYS A 50 -2.281 -23.440 -8.322 1.00 41.23 N1+ ATOM 0 H LYS A 50 -2.533 -18.866 -11.974 1.00 54.03 H new ATOM 0 HA LYS A 50 -4.389 -17.647 -10.065 1.00 73.12 H new ATOM 0 HB2 LYS A 50 -4.280 -19.530 -8.545 1.00 23.41 H new ATOM 0 HB3 LYS A 50 -4.934 -20.076 -10.076 1.00 23.41 H new ATOM 0 HG2 LYS A 50 -3.418 -21.738 -9.942 1.00 12.24 H new ATOM 0 HG3 LYS A 50 -2.243 -20.539 -10.443 1.00 12.24 H new ATOM 0 HD2 LYS A 50 -1.161 -20.990 -8.509 1.00 71.24 H new ATOM 0 HD3 LYS A 50 -2.423 -20.072 -7.711 1.00 71.24 H new ATOM 0 HE2 LYS A 50 -2.255 -22.207 -6.599 1.00 14.43 H new ATOM 0 HE3 LYS A 50 -3.768 -22.184 -7.484 1.00 14.43 H new ATOM 0 HZ1 LYS A 50 -2.208 -24.227 -7.646 1.00 41.23 H new ATOM 0 HZ2 LYS A 50 -2.994 -23.669 -9.044 1.00 41.23 H new ATOM 0 HZ3 LYS A 50 -1.359 -23.291 -8.780 1.00 41.23 H new ATOM 811 N VAL A 51 -2.356 -17.620 -8.312 1.00 11.01 N ATOM 812 CA VAL A 51 -1.183 -17.139 -7.592 1.00 51.13 C ATOM 813 C VAL A 51 -1.198 -17.606 -6.141 1.00 24.24 C ATOM 814 O VAL A 51 -2.250 -17.650 -5.502 1.00 11.33 O ATOM 815 CB VAL A 51 -1.097 -15.601 -7.623 1.00 74.54 C ATOM 816 CG1 VAL A 51 -2.439 -14.984 -7.260 1.00 60.22 C ATOM 817 CG2 VAL A 51 -0.005 -15.110 -6.686 1.00 51.31 C ATOM 0 H VAL A 51 -3.191 -17.725 -7.735 1.00 11.01 H new ATOM 0 HA VAL A 51 -0.311 -17.555 -8.096 1.00 51.13 H new ATOM 0 HB VAL A 51 -0.842 -15.289 -8.636 1.00 74.54 H new ATOM 0 HG11 VAL A 51 -2.359 -13.897 -7.287 1.00 60.22 H new ATOM 0 HG12 VAL A 51 -3.195 -15.310 -7.975 1.00 60.22 H new ATOM 0 HG13 VAL A 51 -2.726 -15.302 -6.258 1.00 60.22 H new ATOM 0 HG21 VAL A 51 0.042 -14.022 -6.721 1.00 51.31 H new ATOM 0 HG22 VAL A 51 -0.227 -15.432 -5.668 1.00 51.31 H new ATOM 0 HG23 VAL A 51 0.954 -15.524 -6.996 1.00 51.31 H new ATOM 827 N ASP A 52 -0.024 -17.954 -5.626 1.00 34.02 N ATOM 828 CA ASP A 52 0.099 -18.418 -4.248 1.00 10.05 C ATOM 829 C ASP A 52 1.424 -17.967 -3.639 1.00 41.12 C ATOM 830 O ASP A 52 2.315 -17.500 -4.348 1.00 32.23 O ATOM 831 CB ASP A 52 -0.011 -19.942 -4.189 1.00 62.44 C ATOM 832 CG ASP A 52 -0.840 -20.508 -5.326 1.00 53.22 C ATOM 833 OD1 ASP A 52 -2.076 -20.330 -5.306 1.00 40.15 O ATOM 834 OD2 ASP A 52 -0.251 -21.127 -6.237 1.00 41.01 O1- ATOM 0 H ASP A 52 0.856 -17.924 -6.141 1.00 34.02 H new ATOM 0 HA ASP A 52 -0.714 -17.980 -3.669 1.00 10.05 H new ATOM 0 HB2 ASP A 52 0.988 -20.377 -4.220 1.00 62.44 H new ATOM 0 HB3 ASP A 52 -0.456 -20.235 -3.238 1.00 62.44 H new ATOM 839 N GLN A 53 1.543 -18.110 -2.324 1.00 45.12 N ATOM 840 CA GLN A 53 2.758 -17.716 -1.621 1.00 63.05 C ATOM 841 C GLN A 53 3.729 -18.887 -1.513 1.00 31.52 C ATOM 842 O GLN A 53 3.320 -20.047 -1.496 1.00 43.42 O ATOM 843 CB GLN A 53 2.417 -17.191 -0.224 1.00 21.35 C ATOM 844 CG GLN A 53 3.153 -15.913 0.141 1.00 51.34 C ATOM 845 CD GLN A 53 4.014 -16.069 1.380 1.00 13.11 C ATOM 846 OE1 GLN A 53 5.014 -16.939 1.300 1.00 31.44 O flip ATOM 847 NE2 GLN A 53 3.782 -15.416 2.398 1.00 1.42 N flip ATOM 0 H GLN A 53 0.814 -18.495 -1.724 1.00 45.12 H new ATOM 0 HA GLN A 53 3.237 -16.922 -2.194 1.00 63.05 H new ATOM 0 HB2 GLN A 53 1.343 -17.012 -0.164 1.00 21.35 H new ATOM 0 HB3 GLN A 53 2.654 -17.960 0.512 1.00 21.35 H new ATOM 0 HG2 GLN A 53 3.780 -15.607 -0.697 1.00 51.34 H new ATOM 0 HG3 GLN A 53 2.429 -15.115 0.305 1.00 51.34 H new ATOM 0 HE21 GLN A 53 3.003 -14.758 2.415 1.00 1.42 H new ATOM 0 HE22 GLN A 53 4.369 -15.533 3.224 1.00 1.42 H new ATOM 856 N GLY A 54 5.020 -18.574 -1.440 1.00 60.23 N ATOM 857 CA GLY A 54 6.029 -19.612 -1.336 1.00 32.11 C ATOM 858 C GLY A 54 6.564 -20.038 -2.689 1.00 61.12 C ATOM 859 O GLY A 54 6.306 -19.386 -3.700 1.00 34.53 O ATOM 0 H GLY A 54 5.384 -17.621 -1.451 1.00 60.23 H new ATOM 0 HA2 GLY A 54 6.853 -19.253 -0.720 1.00 32.11 H new ATOM 0 HA3 GLY A 54 5.604 -20.478 -0.828 1.00 32.11 H new ATOM 863 N VAL A 55 7.311 -21.138 -2.708 1.00 63.32 N ATOM 864 CA VAL A 55 7.884 -21.651 -3.946 1.00 0.23 C ATOM 865 C VAL A 55 7.207 -22.950 -4.368 1.00 31.05 C ATOM 866 O VAL A 55 6.861 -23.783 -3.529 1.00 13.53 O ATOM 867 CB VAL A 55 9.398 -21.896 -3.806 1.00 42.13 C ATOM 868 CG1 VAL A 55 9.680 -22.849 -2.653 1.00 35.12 C ATOM 869 CG2 VAL A 55 9.975 -22.434 -5.106 1.00 61.54 C ATOM 0 H VAL A 55 7.533 -21.690 -1.880 1.00 63.32 H new ATOM 0 HA VAL A 55 7.716 -20.892 -4.710 1.00 0.23 H new ATOM 0 HB VAL A 55 9.883 -20.945 -3.588 1.00 42.13 H new ATOM 0 HG11 VAL A 55 10.755 -23.011 -2.569 1.00 35.12 H new ATOM 0 HG12 VAL A 55 9.304 -22.418 -1.725 1.00 35.12 H new ATOM 0 HG13 VAL A 55 9.183 -23.801 -2.838 1.00 35.12 H new ATOM 0 HG21 VAL A 55 11.046 -22.601 -4.987 1.00 61.54 H new ATOM 0 HG22 VAL A 55 9.487 -23.375 -5.359 1.00 61.54 H new ATOM 0 HG23 VAL A 55 9.807 -21.712 -5.905 1.00 61.54 H new ATOM 879 N PHE A 56 7.021 -23.117 -5.673 1.00 21.01 N ATOM 880 CA PHE A 56 6.384 -24.316 -6.207 1.00 21.13 C ATOM 881 C PHE A 56 7.340 -25.505 -6.163 1.00 72.32 C ATOM 882 O PHE A 56 8.554 -25.335 -6.057 1.00 54.15 O ATOM 883 CB PHE A 56 5.919 -24.075 -7.644 1.00 15.22 C ATOM 884 CG PHE A 56 5.033 -25.163 -8.178 1.00 13.30 C ATOM 885 CD1 PHE A 56 3.902 -25.559 -7.481 1.00 53.50 C ATOM 886 CD2 PHE A 56 5.330 -25.791 -9.376 1.00 11.02 C ATOM 887 CE1 PHE A 56 3.085 -26.561 -7.969 1.00 22.55 C ATOM 888 CE2 PHE A 56 4.515 -26.793 -9.871 1.00 40.34 C ATOM 889 CZ PHE A 56 3.392 -27.179 -9.166 1.00 32.22 C ATOM 0 H PHE A 56 7.302 -22.438 -6.380 1.00 21.01 H new ATOM 0 HA PHE A 56 5.518 -24.545 -5.586 1.00 21.13 H new ATOM 0 HB2 PHE A 56 5.384 -23.127 -7.690 1.00 15.22 H new ATOM 0 HB3 PHE A 56 6.793 -23.980 -8.289 1.00 15.22 H new ATOM 0 HD1 PHE A 56 3.656 -25.079 -6.545 1.00 53.50 H new ATOM 0 HD2 PHE A 56 6.208 -25.495 -9.930 1.00 11.02 H new ATOM 0 HE1 PHE A 56 2.207 -26.861 -7.415 1.00 22.55 H new ATOM 0 HE2 PHE A 56 4.757 -27.273 -10.808 1.00 40.34 H new ATOM 0 HZ PHE A 56 2.755 -27.962 -9.550 1.00 32.22 H new ATOM 899 N ALA A 57 6.782 -26.708 -6.245 1.00 32.10 N ATOM 900 CA ALA A 57 7.583 -27.925 -6.216 1.00 4.40 C ATOM 901 C ALA A 57 8.666 -27.895 -7.289 1.00 45.14 C ATOM 902 O ALA A 57 9.763 -28.418 -7.093 1.00 5.11 O ATOM 903 CB ALA A 57 6.694 -29.146 -6.395 1.00 15.14 C ATOM 0 H ALA A 57 5.778 -26.866 -6.332 1.00 32.10 H new ATOM 0 HA ALA A 57 8.073 -27.985 -5.244 1.00 4.40 H new ATOM 0 HB1 ALA A 57 7.306 -30.048 -6.371 1.00 15.14 H new ATOM 0 HB2 ALA A 57 5.961 -29.183 -5.589 1.00 15.14 H new ATOM 0 HB3 ALA A 57 6.178 -29.083 -7.353 1.00 15.14 H new ATOM 909 N SER A 58 8.351 -27.281 -8.425 1.00 54.32 N ATOM 910 CA SER A 58 9.295 -27.186 -9.531 1.00 12.25 C ATOM 911 C SER A 58 8.700 -26.389 -10.688 1.00 23.03 C ATOM 912 O SER A 58 8.135 -26.943 -11.631 1.00 74.33 O ATOM 913 CB SER A 58 9.692 -28.584 -10.011 1.00 24.15 C ATOM 914 OG SER A 58 11.038 -28.609 -10.453 1.00 63.33 O ATOM 0 H SER A 58 7.448 -26.842 -8.603 1.00 54.32 H new ATOM 0 HA SER A 58 10.183 -26.665 -9.174 1.00 12.25 H new ATOM 0 HB2 SER A 58 9.559 -29.301 -9.201 1.00 24.15 H new ATOM 0 HB3 SER A 58 9.034 -28.894 -10.823 1.00 24.15 H new ATOM 0 HG SER A 58 11.267 -29.513 -10.753 1.00 63.33 H new ATOM 920 N PRO A 59 8.830 -25.056 -10.615 1.00 64.12 N ATOM 921 CA PRO A 59 8.312 -24.153 -11.646 1.00 73.32 C ATOM 922 C PRO A 59 9.094 -24.256 -12.952 1.00 23.22 C ATOM 923 O PRO A 59 10.228 -24.734 -12.972 1.00 4.44 O ATOM 924 CB PRO A 59 8.490 -22.765 -11.025 1.00 61.42 C ATOM 925 CG PRO A 59 9.607 -22.926 -10.052 1.00 4.13 C ATOM 926 CD PRO A 59 9.493 -24.328 -9.519 1.00 10.03 C ATOM 0 HA PRO A 59 7.281 -24.387 -11.912 1.00 73.32 H new ATOM 0 HB2 PRO A 59 8.730 -22.020 -11.783 1.00 61.42 H new ATOM 0 HB3 PRO A 59 7.578 -22.433 -10.529 1.00 61.42 H new ATOM 0 HG2 PRO A 59 10.571 -22.769 -10.535 1.00 4.13 H new ATOM 0 HG3 PRO A 59 9.532 -22.195 -9.247 1.00 4.13 H new ATOM 0 HD2 PRO A 59 10.471 -24.751 -9.289 1.00 10.03 H new ATOM 0 HD3 PRO A 59 8.907 -24.363 -8.601 1.00 10.03 H new ATOM 934 N ASP A 60 8.480 -23.803 -14.040 1.00 20.31 N ATOM 935 CA ASP A 60 9.119 -23.843 -15.350 1.00 71.05 C ATOM 936 C ASP A 60 10.041 -22.643 -15.542 1.00 72.31 C ATOM 937 O ASP A 60 10.936 -22.664 -16.388 1.00 5.43 O ATOM 938 CB ASP A 60 8.063 -23.871 -16.456 1.00 60.31 C ATOM 939 CG ASP A 60 8.400 -24.860 -17.554 1.00 74.41 C ATOM 940 OD1 ASP A 60 7.462 -25.446 -18.134 1.00 62.40 O ATOM 941 OD2 ASP A 60 9.603 -25.047 -17.835 1.00 72.43 O1- ATOM 0 H ASP A 60 7.541 -23.404 -14.040 1.00 20.31 H new ATOM 0 HA ASP A 60 9.718 -24.752 -15.406 1.00 71.05 H new ATOM 0 HB2 ASP A 60 7.096 -24.128 -16.024 1.00 60.31 H new ATOM 0 HB3 ASP A 60 7.965 -22.874 -16.886 1.00 60.31 H new ATOM 946 N VAL A 61 9.817 -21.598 -14.751 1.00 23.13 N ATOM 947 CA VAL A 61 10.628 -20.390 -14.833 1.00 4.42 C ATOM 948 C VAL A 61 10.778 -19.734 -13.465 1.00 2.01 C ATOM 949 O VAL A 61 9.885 -19.820 -12.621 1.00 3.25 O ATOM 950 CB VAL A 61 10.018 -19.371 -15.814 1.00 33.32 C ATOM 951 CG1 VAL A 61 10.848 -18.095 -15.844 1.00 0.55 C ATOM 952 CG2 VAL A 61 9.903 -19.974 -17.206 1.00 33.43 C ATOM 0 H VAL A 61 9.080 -21.564 -14.046 1.00 23.13 H new ATOM 0 HA VAL A 61 11.610 -20.692 -15.197 1.00 4.42 H new ATOM 0 HB VAL A 61 9.016 -19.117 -15.469 1.00 33.32 H new ATOM 0 HG11 VAL A 61 10.402 -17.387 -16.542 1.00 0.55 H new ATOM 0 HG12 VAL A 61 10.874 -17.654 -14.847 1.00 0.55 H new ATOM 0 HG13 VAL A 61 11.863 -18.329 -16.164 1.00 0.55 H new ATOM 0 HG21 VAL A 61 9.470 -19.240 -17.886 1.00 33.43 H new ATOM 0 HG22 VAL A 61 10.893 -20.259 -17.562 1.00 33.43 H new ATOM 0 HG23 VAL A 61 9.263 -20.856 -17.169 1.00 33.43 H new ATOM 962 N THR A 62 11.915 -19.079 -13.250 1.00 50.24 N ATOM 963 CA THR A 62 12.183 -18.410 -11.984 1.00 14.23 C ATOM 964 C THR A 62 12.452 -16.924 -12.194 1.00 31.34 C ATOM 965 O THR A 62 13.500 -16.539 -12.712 1.00 52.43 O ATOM 966 CB THR A 62 13.388 -19.040 -11.259 1.00 64.24 C ATOM 967 OG1 THR A 62 13.903 -20.135 -12.026 1.00 4.13 O ATOM 968 CG2 THR A 62 12.992 -19.526 -9.873 1.00 53.40 C ATOM 0 H THR A 62 12.665 -18.998 -13.937 1.00 50.24 H new ATOM 0 HA THR A 62 11.293 -18.533 -11.367 1.00 14.23 H new ATOM 0 HB THR A 62 14.159 -18.277 -11.152 1.00 64.24 H new ATOM 0 HG1 THR A 62 14.161 -19.818 -12.916 1.00 4.13 H new ATOM 0 HG21 THR A 62 13.859 -19.967 -9.381 1.00 53.40 H new ATOM 0 HG22 THR A 62 12.628 -18.685 -9.283 1.00 53.40 H new ATOM 0 HG23 THR A 62 12.205 -20.275 -9.961 1.00 53.40 H new ATOM 976 N VAL A 63 11.498 -16.092 -11.787 1.00 71.42 N ATOM 977 CA VAL A 63 11.632 -14.647 -11.929 1.00 52.44 C ATOM 978 C VAL A 63 12.201 -14.021 -10.661 1.00 12.25 C ATOM 979 O VAL A 63 11.736 -14.298 -9.555 1.00 15.12 O ATOM 980 CB VAL A 63 10.279 -13.987 -12.251 1.00 74.33 C ATOM 981 CG1 VAL A 63 10.470 -12.517 -12.594 1.00 23.22 C ATOM 982 CG2 VAL A 63 9.586 -14.721 -13.389 1.00 54.53 C ATOM 0 H VAL A 63 10.624 -16.394 -11.356 1.00 71.42 H new ATOM 0 HA VAL A 63 12.319 -14.473 -12.757 1.00 52.44 H new ATOM 0 HB VAL A 63 9.644 -14.050 -11.367 1.00 74.33 H new ATOM 0 HG11 VAL A 63 9.503 -12.067 -12.819 1.00 23.22 H new ATOM 0 HG12 VAL A 63 10.922 -12.001 -11.747 1.00 23.22 H new ATOM 0 HG13 VAL A 63 11.122 -12.428 -13.463 1.00 23.22 H new ATOM 0 HG21 VAL A 63 8.631 -14.241 -13.603 1.00 54.53 H new ATOM 0 HG22 VAL A 63 10.215 -14.690 -14.278 1.00 54.53 H new ATOM 0 HG23 VAL A 63 9.414 -15.758 -13.102 1.00 54.53 H new ATOM 992 N THR A 64 13.212 -13.174 -10.827 1.00 21.22 N ATOM 993 CA THR A 64 13.847 -12.508 -9.697 1.00 44.01 C ATOM 994 C THR A 64 13.757 -10.992 -9.830 1.00 25.10 C ATOM 995 O THR A 64 14.427 -10.393 -10.672 1.00 72.04 O ATOM 996 CB THR A 64 15.326 -12.914 -9.564 1.00 34.33 C ATOM 997 OG1 THR A 64 15.659 -13.889 -10.559 1.00 1.35 O ATOM 998 CG2 THR A 64 15.610 -13.478 -8.180 1.00 73.53 C ATOM 0 H THR A 64 13.609 -12.933 -11.735 1.00 21.22 H new ATOM 0 HA THR A 64 13.310 -12.823 -8.802 1.00 44.01 H new ATOM 0 HB THR A 64 15.938 -12.024 -9.709 1.00 34.33 H new ATOM 0 HG1 THR A 64 16.548 -14.257 -10.372 1.00 1.35 H new ATOM 0 HG21 THR A 64 16.661 -13.758 -8.110 1.00 73.53 H new ATOM 0 HG22 THR A 64 15.384 -12.724 -7.426 1.00 73.53 H new ATOM 0 HG23 THR A 64 14.988 -14.357 -8.011 1.00 73.53 H new ATOM 1006 N VAL A 65 12.925 -10.377 -8.996 1.00 24.10 N ATOM 1007 CA VAL A 65 12.750 -8.929 -9.019 1.00 44.40 C ATOM 1008 C VAL A 65 12.723 -8.356 -7.607 1.00 72.43 C ATOM 1009 O VAL A 65 12.003 -8.849 -6.740 1.00 51.43 O ATOM 1010 CB VAL A 65 11.452 -8.534 -9.748 1.00 33.51 C ATOM 1011 CG1 VAL A 65 10.238 -9.079 -9.012 1.00 53.11 C ATOM 1012 CG2 VAL A 65 11.363 -7.022 -9.893 1.00 61.51 C ATOM 0 H VAL A 65 12.361 -10.859 -8.296 1.00 24.10 H new ATOM 0 HA VAL A 65 13.602 -8.515 -9.558 1.00 44.40 H new ATOM 0 HB VAL A 65 11.468 -8.973 -10.746 1.00 33.51 H new ATOM 0 HG11 VAL A 65 9.331 -8.789 -9.542 1.00 53.11 H new ATOM 0 HG12 VAL A 65 10.299 -10.166 -8.964 1.00 53.11 H new ATOM 0 HG13 VAL A 65 10.213 -8.672 -8.001 1.00 53.11 H new ATOM 0 HG21 VAL A 65 10.440 -6.760 -10.410 1.00 61.51 H new ATOM 0 HG22 VAL A 65 11.369 -6.561 -8.905 1.00 61.51 H new ATOM 0 HG23 VAL A 65 12.216 -6.661 -10.467 1.00 61.51 H new ATOM 1022 N GLY A 66 13.512 -7.310 -7.384 1.00 71.14 N ATOM 1023 CA GLY A 66 13.562 -6.685 -6.075 1.00 41.23 C ATOM 1024 C GLY A 66 12.330 -5.851 -5.782 1.00 23.54 C ATOM 1025 O GLY A 66 11.454 -5.704 -6.634 1.00 73.14 O ATOM 0 H GLY A 66 14.117 -6.884 -8.086 1.00 71.14 H new ATOM 0 HA2 GLY A 66 13.665 -7.456 -5.312 1.00 41.23 H new ATOM 0 HA3 GLY A 66 14.448 -6.053 -6.011 1.00 41.23 H new ATOM 1029 N LEU A 67 12.262 -5.307 -4.572 1.00 13.24 N ATOM 1030 CA LEU A 67 11.126 -4.485 -4.168 1.00 45.22 C ATOM 1031 C LEU A 67 11.061 -3.202 -4.989 1.00 21.23 C ATOM 1032 O LEU A 67 10.093 -2.963 -5.710 1.00 45.23 O ATOM 1033 CB LEU A 67 11.222 -4.146 -2.679 1.00 52.23 C ATOM 1034 CG LEU A 67 9.926 -4.268 -1.877 1.00 43.21 C ATOM 1035 CD1 LEU A 67 9.517 -5.727 -1.742 1.00 15.22 C ATOM 1036 CD2 LEU A 67 10.083 -3.627 -0.507 1.00 21.12 C ATOM 0 H LEU A 67 12.978 -5.420 -3.855 1.00 13.24 H new ATOM 0 HA LEU A 67 10.215 -5.055 -4.348 1.00 45.22 H new ATOM 0 HB2 LEU A 67 11.969 -4.798 -2.226 1.00 52.23 H new ATOM 0 HB3 LEU A 67 11.590 -3.125 -2.583 1.00 52.23 H new ATOM 0 HG LEU A 67 9.138 -3.739 -2.414 1.00 43.21 H new ATOM 0 HD11 LEU A 67 8.593 -5.794 -1.168 1.00 15.22 H new ATOM 0 HD12 LEU A 67 9.361 -6.154 -2.733 1.00 15.22 H new ATOM 0 HD13 LEU A 67 10.304 -6.279 -1.228 1.00 15.22 H new ATOM 0 HD21 LEU A 67 9.150 -3.724 0.049 1.00 21.12 H new ATOM 0 HD22 LEU A 67 10.884 -4.126 0.038 1.00 21.12 H new ATOM 0 HD23 LEU A 67 10.327 -2.571 -0.625 1.00 21.12 H new ATOM 1048 N GLU A 68 12.102 -2.380 -4.878 1.00 23.10 N ATOM 1049 CA GLU A 68 12.162 -1.123 -5.612 1.00 24.34 C ATOM 1050 C GLU A 68 11.845 -1.339 -7.089 1.00 61.31 C ATOM 1051 O GLU A 68 11.267 -0.472 -7.745 1.00 21.23 O ATOM 1052 CB GLU A 68 13.547 -0.488 -5.466 1.00 2.03 C ATOM 1053 CG GLU A 68 13.947 -0.227 -4.023 1.00 62.33 C ATOM 1054 CD GLU A 68 14.636 1.111 -3.841 1.00 54.24 C ATOM 1055 OE1 GLU A 68 15.620 1.373 -4.563 1.00 72.13 O ATOM 1056 OE2 GLU A 68 14.192 1.895 -2.977 1.00 60.41 O1- ATOM 0 H GLU A 68 12.913 -2.563 -4.287 1.00 23.10 H new ATOM 0 HA GLU A 68 11.414 -0.451 -5.192 1.00 24.34 H new ATOM 0 HB2 GLU A 68 14.288 -1.141 -5.927 1.00 2.03 H new ATOM 0 HB3 GLU A 68 13.566 0.453 -6.016 1.00 2.03 H new ATOM 0 HG2 GLU A 68 13.059 -0.263 -3.392 1.00 62.33 H new ATOM 0 HG3 GLU A 68 14.611 -1.022 -3.685 1.00 62.33 H new ATOM 1063 N ASP A 69 12.227 -2.502 -7.606 1.00 20.45 N ATOM 1064 CA ASP A 69 11.983 -2.834 -9.005 1.00 42.22 C ATOM 1065 C ASP A 69 10.493 -3.031 -9.266 1.00 43.43 C ATOM 1066 O ASP A 69 9.949 -2.509 -10.239 1.00 14.14 O ATOM 1067 CB ASP A 69 12.753 -4.098 -9.393 1.00 71.20 C ATOM 1068 CG ASP A 69 14.250 -3.946 -9.202 1.00 61.35 C ATOM 1069 OD1 ASP A 69 14.691 -2.838 -8.829 1.00 51.33 O ATOM 1070 OD2 ASP A 69 14.979 -4.935 -9.424 1.00 23.21 O1- ATOM 0 H ASP A 69 12.707 -3.230 -7.077 1.00 20.45 H new ATOM 0 HA ASP A 69 12.333 -2.002 -9.616 1.00 42.22 H new ATOM 0 HB2 ASP A 69 12.396 -4.936 -8.793 1.00 71.20 H new ATOM 0 HB3 ASP A 69 12.545 -4.341 -10.435 1.00 71.20 H new ATOM 1075 N MET A 70 9.840 -3.787 -8.389 1.00 54.02 N ATOM 1076 CA MET A 70 8.412 -4.052 -8.525 1.00 40.11 C ATOM 1077 C MET A 70 7.597 -2.789 -8.264 1.00 33.44 C ATOM 1078 O MET A 70 6.712 -2.437 -9.045 1.00 2.01 O ATOM 1079 CB MET A 70 7.984 -5.157 -7.558 1.00 64.44 C ATOM 1080 CG MET A 70 8.096 -6.555 -8.145 1.00 53.12 C ATOM 1081 SD MET A 70 6.784 -7.654 -7.579 1.00 44.35 S ATOM 1082 CE MET A 70 6.333 -8.460 -9.114 1.00 74.02 C ATOM 0 H MET A 70 10.276 -4.226 -7.578 1.00 54.02 H new ATOM 0 HA MET A 70 8.224 -4.379 -9.548 1.00 40.11 H new ATOM 0 HB2 MET A 70 8.597 -5.099 -6.659 1.00 64.44 H new ATOM 0 HB3 MET A 70 6.953 -4.982 -7.252 1.00 64.44 H new ATOM 0 HG2 MET A 70 8.067 -6.491 -9.233 1.00 53.12 H new ATOM 0 HG3 MET A 70 9.063 -6.981 -7.876 1.00 53.12 H new ATOM 0 HE1 MET A 70 5.580 -9.223 -8.917 1.00 74.02 H new ATOM 0 HE2 MET A 70 5.929 -7.722 -9.807 1.00 74.02 H new ATOM 0 HE3 MET A 70 7.215 -8.926 -9.553 1.00 74.02 H new ATOM 1092 N LEU A 71 7.901 -2.112 -7.163 1.00 4.41 N ATOM 1093 CA LEU A 71 7.196 -0.887 -6.799 1.00 52.32 C ATOM 1094 C LEU A 71 7.276 0.142 -7.923 1.00 50.24 C ATOM 1095 O LEU A 71 6.328 0.890 -8.162 1.00 51.41 O ATOM 1096 CB LEU A 71 7.781 -0.301 -5.514 1.00 73.33 C ATOM 1097 CG LEU A 71 7.910 -1.264 -4.334 1.00 72.22 C ATOM 1098 CD1 LEU A 71 9.029 -0.823 -3.404 1.00 1.03 C ATOM 1099 CD2 LEU A 71 6.593 -1.360 -3.579 1.00 30.51 C ATOM 0 H LEU A 71 8.631 -2.390 -6.506 1.00 4.41 H new ATOM 0 HA LEU A 71 6.148 -1.136 -6.633 1.00 52.32 H new ATOM 0 HB2 LEU A 71 8.769 0.101 -5.739 1.00 73.33 H new ATOM 0 HB3 LEU A 71 7.158 0.539 -5.205 1.00 73.33 H new ATOM 0 HG LEU A 71 8.157 -2.252 -4.722 1.00 72.22 H new ATOM 0 HD11 LEU A 71 9.105 -1.521 -2.570 1.00 1.03 H new ATOM 0 HD12 LEU A 71 9.972 -0.807 -3.951 1.00 1.03 H new ATOM 0 HD13 LEU A 71 8.813 0.175 -3.023 1.00 1.03 H new ATOM 0 HD21 LEU A 71 6.703 -2.050 -2.742 1.00 30.51 H new ATOM 0 HD22 LEU A 71 6.316 -0.375 -3.203 1.00 30.51 H new ATOM 0 HD23 LEU A 71 5.815 -1.724 -4.250 1.00 30.51 H new ATOM 1111 N ALA A 72 8.412 0.171 -8.612 1.00 72.12 N ATOM 1112 CA ALA A 72 8.614 1.104 -9.714 1.00 10.33 C ATOM 1113 C ALA A 72 7.573 0.895 -10.808 1.00 3.31 C ATOM 1114 O ALA A 72 7.040 1.856 -11.362 1.00 20.22 O ATOM 1115 CB ALA A 72 10.018 0.954 -10.282 1.00 1.25 C ATOM 0 H ALA A 72 9.207 -0.441 -8.427 1.00 72.12 H new ATOM 0 HA ALA A 72 8.497 2.116 -9.327 1.00 10.33 H new ATOM 0 HB1 ALA A 72 10.155 1.657 -11.104 1.00 1.25 H new ATOM 0 HB2 ALA A 72 10.750 1.161 -9.502 1.00 1.25 H new ATOM 0 HB3 ALA A 72 10.156 -0.064 -10.648 1.00 1.25 H new ATOM 1121 N ILE A 73 7.290 -0.366 -11.116 1.00 10.35 N ATOM 1122 CA ILE A 73 6.312 -0.701 -12.143 1.00 70.44 C ATOM 1123 C ILE A 73 4.889 -0.501 -11.635 1.00 3.41 C ATOM 1124 O ILE A 73 4.136 0.311 -12.170 1.00 51.33 O ATOM 1125 CB ILE A 73 6.475 -2.156 -12.623 1.00 2.34 C ATOM 1126 CG1 ILE A 73 7.954 -2.480 -12.844 1.00 5.34 C ATOM 1127 CG2 ILE A 73 5.681 -2.384 -13.901 1.00 52.42 C ATOM 1128 CD1 ILE A 73 8.191 -3.862 -13.412 1.00 20.44 C ATOM 0 H ILE A 73 7.725 -1.173 -10.668 1.00 10.35 H new ATOM 0 HA ILE A 73 6.493 -0.028 -12.981 1.00 70.44 H new ATOM 0 HB ILE A 73 6.087 -2.823 -11.853 1.00 2.34 H new ATOM 0 HG12 ILE A 73 8.383 -1.740 -13.520 1.00 5.34 H new ATOM 0 HG13 ILE A 73 8.483 -2.390 -11.895 1.00 5.34 H new ATOM 0 HG21 ILE A 73 5.806 -3.416 -14.228 1.00 52.42 H new ATOM 0 HG22 ILE A 73 4.625 -2.188 -13.713 1.00 52.42 H new ATOM 0 HG23 ILE A 73 6.042 -1.711 -14.679 1.00 52.42 H new ATOM 0 HD11 ILE A 73 9.261 -4.023 -13.543 1.00 20.44 H new ATOM 0 HD12 ILE A 73 7.792 -4.610 -12.727 1.00 20.44 H new ATOM 0 HD13 ILE A 73 7.691 -3.950 -14.376 1.00 20.44 H new ATOM 1140 N SER A 74 4.528 -1.248 -10.595 1.00 34.22 N ATOM 1141 CA SER A 74 3.194 -1.155 -10.015 1.00 34.44 C ATOM 1142 C SER A 74 2.872 0.283 -9.621 1.00 12.00 C ATOM 1143 O SER A 74 1.707 0.670 -9.536 1.00 4.54 O ATOM 1144 CB SER A 74 3.083 -2.068 -8.792 1.00 32.15 C ATOM 1145 OG SER A 74 2.343 -1.445 -7.756 1.00 43.53 O ATOM 0 H SER A 74 5.141 -1.923 -10.138 1.00 34.22 H new ATOM 0 HA SER A 74 2.474 -1.477 -10.767 1.00 34.44 H new ATOM 0 HB2 SER A 74 2.601 -3.004 -9.075 1.00 32.15 H new ATOM 0 HB3 SER A 74 4.080 -2.320 -8.430 1.00 32.15 H new ATOM 0 HG SER A 74 1.647 -2.057 -7.437 1.00 43.53 H new ATOM 1151 N GLY A 75 3.915 1.071 -9.379 1.00 30.23 N ATOM 1152 CA GLY A 75 3.724 2.458 -8.996 1.00 71.54 C ATOM 1153 C GLY A 75 3.324 3.333 -10.168 1.00 52.41 C ATOM 1154 O GLY A 75 3.096 4.533 -10.008 1.00 72.55 O ATOM 0 H GLY A 75 4.889 0.774 -9.441 1.00 30.23 H new ATOM 0 HA2 GLY A 75 2.956 2.516 -8.224 1.00 71.54 H new ATOM 0 HA3 GLY A 75 4.646 2.841 -8.558 1.00 71.54 H new ATOM 1158 N LYS A 76 3.240 2.733 -11.351 1.00 72.22 N ATOM 1159 CA LYS A 76 2.865 3.466 -12.555 1.00 63.32 C ATOM 1160 C LYS A 76 3.966 4.437 -12.966 1.00 4.25 C ATOM 1161 O LYS A 76 3.789 5.244 -13.879 1.00 51.51 O ATOM 1162 CB LYS A 76 1.558 4.226 -12.329 1.00 43.21 C ATOM 1163 CG LYS A 76 1.742 5.728 -12.200 1.00 10.13 C ATOM 1164 CD LYS A 76 0.568 6.375 -11.483 1.00 41.34 C ATOM 1165 CE LYS A 76 0.425 7.842 -11.859 1.00 40.22 C ATOM 1166 NZ LYS A 76 1.001 8.739 -10.819 1.00 53.25 N1+ ATOM 0 H LYS A 76 3.426 1.742 -11.502 1.00 72.22 H new ATOM 0 HA LYS A 76 2.723 2.744 -13.359 1.00 63.32 H new ATOM 0 HB2 LYS A 76 0.881 4.021 -13.158 1.00 43.21 H new ATOM 0 HB3 LYS A 76 1.079 3.848 -11.426 1.00 43.21 H new ATOM 0 HG2 LYS A 76 2.662 5.937 -11.655 1.00 10.13 H new ATOM 0 HG3 LYS A 76 1.852 6.168 -13.191 1.00 10.13 H new ATOM 0 HD2 LYS A 76 -0.350 5.843 -11.733 1.00 41.34 H new ATOM 0 HD3 LYS A 76 0.705 6.286 -10.405 1.00 41.34 H new ATOM 0 HE2 LYS A 76 0.923 8.023 -12.811 1.00 40.22 H new ATOM 0 HE3 LYS A 76 -0.629 8.080 -12.000 1.00 40.22 H new ATOM 0 HZ1 LYS A 76 0.884 9.730 -11.112 1.00 53.25 H new ATOM 0 HZ2 LYS A 76 0.509 8.584 -9.916 1.00 53.25 H new ATOM 0 HZ3 LYS A 76 2.013 8.530 -10.702 1.00 53.25 H new ATOM 1180 N THR A 77 5.106 4.354 -12.286 1.00 13.43 N ATOM 1181 CA THR A 77 6.237 5.227 -12.580 1.00 43.43 C ATOM 1182 C THR A 77 7.115 4.637 -13.678 1.00 63.21 C ATOM 1183 O THR A 77 7.644 5.362 -14.521 1.00 21.54 O ATOM 1184 CB THR A 77 7.097 5.473 -11.327 1.00 71.41 C ATOM 1185 OG1 THR A 77 7.857 4.300 -11.015 1.00 24.34 O ATOM 1186 CG2 THR A 77 6.226 5.851 -10.139 1.00 61.23 C ATOM 0 H THR A 77 5.271 3.691 -11.528 1.00 13.43 H new ATOM 0 HA THR A 77 5.824 6.177 -12.920 1.00 43.43 H new ATOM 0 HB THR A 77 7.776 6.299 -11.536 1.00 71.41 H new ATOM 0 HG1 THR A 77 7.262 3.522 -10.988 1.00 24.34 H new ATOM 0 HG21 THR A 77 6.856 6.020 -9.265 1.00 61.23 H new ATOM 0 HG22 THR A 77 5.672 6.761 -10.369 1.00 61.23 H new ATOM 0 HG23 THR A 77 5.525 5.043 -9.930 1.00 61.23 H new ATOM 1194 N LEU A 78 7.266 3.317 -13.664 1.00 61.23 N ATOM 1195 CA LEU A 78 8.080 2.629 -14.659 1.00 64.41 C ATOM 1196 C LEU A 78 7.286 1.516 -15.337 1.00 4.21 C ATOM 1197 O LEU A 78 6.188 1.169 -14.903 1.00 64.35 O ATOM 1198 CB LEU A 78 9.337 2.050 -14.007 1.00 40.00 C ATOM 1199 CG LEU A 78 10.568 1.939 -14.907 1.00 14.14 C ATOM 1200 CD1 LEU A 78 11.807 2.438 -14.180 1.00 21.42 C ATOM 1201 CD2 LEU A 78 10.763 0.502 -15.369 1.00 52.03 C ATOM 0 H LEU A 78 6.835 2.702 -12.974 1.00 61.23 H new ATOM 0 HA LEU A 78 8.373 3.355 -15.417 1.00 64.41 H new ATOM 0 HB2 LEU A 78 9.594 2.669 -13.147 1.00 40.00 H new ATOM 0 HB3 LEU A 78 9.100 1.057 -13.625 1.00 40.00 H new ATOM 0 HG LEU A 78 10.409 2.565 -15.785 1.00 14.14 H new ATOM 0 HD11 LEU A 78 12.673 2.351 -14.836 1.00 21.42 H new ATOM 0 HD12 LEU A 78 11.668 3.482 -13.898 1.00 21.42 H new ATOM 0 HD13 LEU A 78 11.969 1.839 -13.284 1.00 21.42 H new ATOM 0 HD21 LEU A 78 11.644 0.442 -16.009 1.00 52.03 H new ATOM 0 HD22 LEU A 78 10.900 -0.144 -14.502 1.00 52.03 H new ATOM 0 HD23 LEU A 78 9.886 0.177 -15.928 1.00 52.03 H new ATOM 1213 N THR A 79 7.852 0.958 -16.403 1.00 53.44 N ATOM 1214 CA THR A 79 7.199 -0.117 -17.140 1.00 2.24 C ATOM 1215 C THR A 79 8.091 -1.350 -17.222 1.00 31.21 C ATOM 1216 O THR A 79 9.318 -1.240 -17.251 1.00 53.42 O ATOM 1217 CB THR A 79 6.824 0.327 -18.566 1.00 73.11 C ATOM 1218 OG1 THR A 79 7.640 1.435 -18.964 1.00 25.35 O ATOM 1219 CG2 THR A 79 5.356 0.719 -18.643 1.00 71.32 C ATOM 0 H THR A 79 8.761 1.233 -16.775 1.00 53.44 H new ATOM 0 HA THR A 79 6.289 -0.367 -16.594 1.00 2.24 H new ATOM 0 HB THR A 79 6.995 -0.512 -19.241 1.00 73.11 H new ATOM 0 HG1 THR A 79 7.397 1.711 -19.872 1.00 25.35 H new ATOM 0 HG21 THR A 79 5.115 1.029 -19.660 1.00 71.32 H new ATOM 0 HG22 THR A 79 4.737 -0.134 -18.367 1.00 71.32 H new ATOM 0 HG23 THR A 79 5.163 1.544 -17.957 1.00 71.32 H new ATOM 1227 N VAL A 80 7.470 -2.524 -17.258 1.00 5.33 N ATOM 1228 CA VAL A 80 8.209 -3.778 -17.339 1.00 10.20 C ATOM 1229 C VAL A 80 9.206 -3.756 -18.492 1.00 63.11 C ATOM 1230 O VAL A 80 10.377 -4.093 -18.320 1.00 72.02 O ATOM 1231 CB VAL A 80 7.260 -4.978 -17.519 1.00 1.42 C ATOM 1232 CG1 VAL A 80 8.053 -6.256 -17.750 1.00 32.31 C ATOM 1233 CG2 VAL A 80 6.344 -5.119 -16.312 1.00 54.23 C ATOM 0 H VAL A 80 6.456 -2.633 -17.232 1.00 5.33 H new ATOM 0 HA VAL A 80 8.749 -3.888 -16.398 1.00 10.20 H new ATOM 0 HB VAL A 80 6.640 -4.800 -18.398 1.00 1.42 H new ATOM 0 HG11 VAL A 80 7.366 -7.093 -17.875 1.00 32.31 H new ATOM 0 HG12 VAL A 80 8.662 -6.149 -18.648 1.00 32.31 H new ATOM 0 HG13 VAL A 80 8.700 -6.443 -16.893 1.00 32.31 H new ATOM 0 HG21 VAL A 80 5.680 -5.972 -16.456 1.00 54.23 H new ATOM 0 HG22 VAL A 80 6.945 -5.274 -15.416 1.00 54.23 H new ATOM 0 HG23 VAL A 80 5.750 -4.212 -16.198 1.00 54.23 H new ATOM 1243 N GLY A 81 8.734 -3.354 -19.667 1.00 1.42 N ATOM 1244 CA GLY A 81 9.598 -3.294 -20.833 1.00 4.53 C ATOM 1245 C GLY A 81 10.823 -2.433 -20.601 1.00 72.43 C ATOM 1246 O GLY A 81 11.895 -2.711 -21.139 1.00 54.32 O ATOM 0 H GLY A 81 7.769 -3.069 -19.834 1.00 1.42 H new ATOM 0 HA2 GLY A 81 9.912 -4.303 -21.101 1.00 4.53 H new ATOM 0 HA3 GLY A 81 9.035 -2.900 -21.679 1.00 4.53 H new ATOM 1250 N ASP A 82 10.665 -1.385 -19.801 1.00 14.13 N ATOM 1251 CA ASP A 82 11.769 -0.479 -19.500 1.00 21.43 C ATOM 1252 C ASP A 82 12.717 -1.098 -18.479 1.00 23.42 C ATOM 1253 O ASP A 82 13.919 -1.207 -18.719 1.00 72.21 O ATOM 1254 CB ASP A 82 11.233 0.854 -18.976 1.00 22.14 C ATOM 1255 CG ASP A 82 11.293 1.953 -20.019 1.00 13.02 C ATOM 1256 OD1 ASP A 82 12.414 2.377 -20.371 1.00 14.15 O ATOM 1257 OD2 ASP A 82 10.219 2.387 -20.485 1.00 41.32 O1- ATOM 0 H ASP A 82 9.784 -1.141 -19.349 1.00 14.13 H new ATOM 0 HA ASP A 82 12.324 -0.302 -20.422 1.00 21.43 H new ATOM 0 HB2 ASP A 82 10.202 0.724 -18.649 1.00 22.14 H new ATOM 0 HB3 ASP A 82 11.809 1.155 -18.101 1.00 22.14 H new ATOM 1262 N ALA A 83 12.167 -1.502 -17.338 1.00 45.42 N ATOM 1263 CA ALA A 83 12.964 -2.111 -16.280 1.00 21.54 C ATOM 1264 C ALA A 83 13.711 -3.339 -16.792 1.00 74.42 C ATOM 1265 O ALA A 83 14.894 -3.523 -16.505 1.00 71.11 O ATOM 1266 CB ALA A 83 12.079 -2.484 -15.100 1.00 12.34 C ATOM 0 H ALA A 83 11.173 -1.419 -17.123 1.00 45.42 H new ATOM 0 HA ALA A 83 13.702 -1.380 -15.950 1.00 21.54 H new ATOM 0 HB1 ALA A 83 12.688 -2.938 -14.318 1.00 12.34 H new ATOM 0 HB2 ALA A 83 11.596 -1.588 -14.710 1.00 12.34 H new ATOM 0 HB3 ALA A 83 11.319 -3.194 -15.426 1.00 12.34 H new ATOM 1272 N LEU A 84 13.012 -4.176 -17.551 1.00 41.30 N ATOM 1273 CA LEU A 84 13.609 -5.387 -18.103 1.00 72.41 C ATOM 1274 C LEU A 84 14.895 -5.066 -18.857 1.00 23.24 C ATOM 1275 O LEU A 84 15.941 -5.665 -18.606 1.00 61.34 O ATOM 1276 CB LEU A 84 12.619 -6.087 -19.036 1.00 54.12 C ATOM 1277 CG LEU A 84 12.879 -7.572 -19.298 1.00 10.02 C ATOM 1278 CD1 LEU A 84 14.111 -7.752 -20.169 1.00 35.23 C ATOM 1279 CD2 LEU A 84 13.036 -8.325 -17.985 1.00 24.15 C ATOM 0 H LEU A 84 12.032 -4.038 -17.798 1.00 41.30 H new ATOM 0 HA LEU A 84 13.852 -6.052 -17.275 1.00 72.41 H new ATOM 0 HB2 LEU A 84 11.619 -5.982 -18.616 1.00 54.12 H new ATOM 0 HB3 LEU A 84 12.620 -5.564 -19.992 1.00 54.12 H new ATOM 0 HG LEU A 84 12.021 -7.984 -19.829 1.00 10.02 H new ATOM 0 HD11 LEU A 84 14.280 -8.814 -20.345 1.00 35.23 H new ATOM 0 HD12 LEU A 84 13.960 -7.246 -21.123 1.00 35.23 H new ATOM 0 HD13 LEU A 84 14.978 -7.325 -19.665 1.00 35.23 H new ATOM 0 HD21 LEU A 84 13.220 -9.380 -18.190 1.00 24.15 H new ATOM 0 HD22 LEU A 84 13.876 -7.912 -17.427 1.00 24.15 H new ATOM 0 HD23 LEU A 84 12.124 -8.224 -17.396 1.00 24.15 H new ATOM 1291 N LYS A 85 14.812 -4.114 -19.781 1.00 13.23 N ATOM 1292 CA LYS A 85 15.968 -3.709 -20.570 1.00 53.44 C ATOM 1293 C LYS A 85 17.127 -3.300 -19.666 1.00 73.11 C ATOM 1294 O LYS A 85 18.289 -3.568 -19.972 1.00 1.12 O ATOM 1295 CB LYS A 85 15.599 -2.550 -21.498 1.00 25.42 C ATOM 1296 CG LYS A 85 15.724 -2.889 -22.973 1.00 52.24 C ATOM 1297 CD LYS A 85 17.099 -2.528 -23.513 1.00 12.13 C ATOM 1298 CE LYS A 85 17.196 -2.790 -25.008 1.00 30.01 C ATOM 1299 NZ LYS A 85 16.552 -1.709 -25.804 1.00 0.02 N1+ ATOM 0 H LYS A 85 13.954 -3.608 -20.001 1.00 13.23 H new ATOM 0 HA LYS A 85 16.282 -4.562 -21.172 1.00 53.44 H new ATOM 0 HB2 LYS A 85 14.575 -2.241 -21.290 1.00 25.42 H new ATOM 0 HB3 LYS A 85 16.240 -1.698 -21.274 1.00 25.42 H new ATOM 0 HG2 LYS A 85 15.542 -3.954 -23.119 1.00 52.24 H new ATOM 0 HG3 LYS A 85 14.959 -2.355 -23.536 1.00 52.24 H new ATOM 0 HD2 LYS A 85 17.305 -1.477 -23.312 1.00 12.13 H new ATOM 0 HD3 LYS A 85 17.860 -3.108 -22.991 1.00 12.13 H new ATOM 0 HE2 LYS A 85 18.244 -2.876 -25.294 1.00 30.01 H new ATOM 0 HE3 LYS A 85 16.722 -3.744 -25.241 1.00 30.01 H new ATOM 0 HZ1 LYS A 85 16.640 -1.925 -26.818 1.00 0.02 H new ATOM 0 HZ2 LYS A 85 15.546 -1.643 -25.550 1.00 0.02 H new ATOM 0 HZ3 LYS A 85 17.020 -0.803 -25.601 1.00 0.02 H new ATOM 1313 N GLN A 86 16.802 -2.653 -18.551 1.00 11.43 N ATOM 1314 CA GLN A 86 17.817 -2.209 -17.603 1.00 53.23 C ATOM 1315 C GLN A 86 18.444 -3.396 -16.880 1.00 21.22 C ATOM 1316 O GLN A 86 19.631 -3.384 -16.560 1.00 41.42 O ATOM 1317 CB GLN A 86 17.207 -1.241 -16.587 1.00 12.42 C ATOM 1318 CG GLN A 86 16.582 -0.009 -17.220 1.00 73.05 C ATOM 1319 CD GLN A 86 16.652 1.209 -16.320 1.00 42.21 C ATOM 1320 OE1 GLN A 86 17.708 1.824 -16.169 1.00 72.11 O ATOM 1321 NE2 GLN A 86 15.525 1.565 -15.716 1.00 61.43 N ATOM 0 H GLN A 86 15.845 -2.425 -18.282 1.00 11.43 H new ATOM 0 HA GLN A 86 18.599 -1.694 -18.161 1.00 53.23 H new ATOM 0 HB2 GLN A 86 16.448 -1.766 -16.008 1.00 12.42 H new ATOM 0 HB3 GLN A 86 17.981 -0.927 -15.887 1.00 12.42 H new ATOM 0 HG2 GLN A 86 17.089 0.209 -18.160 1.00 73.05 H new ATOM 0 HG3 GLN A 86 15.540 -0.218 -17.461 1.00 73.05 H new ATOM 0 HE21 GLN A 86 14.672 1.027 -15.869 1.00 61.43 H new ATOM 0 HE22 GLN A 86 15.512 2.377 -15.099 1.00 61.43 H new ATOM 1330 N GLY A 87 17.636 -4.420 -16.625 1.00 0.43 N ATOM 1331 CA GLY A 87 18.129 -5.602 -15.940 1.00 2.32 C ATOM 1332 C GLY A 87 17.629 -5.695 -14.513 1.00 44.42 C ATOM 1333 O GLY A 87 18.335 -6.182 -13.629 1.00 32.22 O ATOM 0 H GLY A 87 16.649 -4.453 -16.880 1.00 0.43 H new ATOM 0 HA2 GLY A 87 17.820 -6.492 -16.489 1.00 2.32 H new ATOM 0 HA3 GLY A 87 19.219 -5.590 -15.940 1.00 2.32 H new ATOM 1337 N LYS A 88 16.407 -5.227 -14.283 1.00 21.33 N ATOM 1338 CA LYS A 88 15.812 -5.259 -12.953 1.00 11.34 C ATOM 1339 C LYS A 88 15.325 -6.663 -12.608 1.00 1.12 C ATOM 1340 O LYS A 88 15.362 -7.075 -11.449 1.00 61.44 O ATOM 1341 CB LYS A 88 14.648 -4.269 -12.868 1.00 75.34 C ATOM 1342 CG LYS A 88 15.042 -2.838 -13.187 1.00 24.51 C ATOM 1343 CD LYS A 88 15.515 -2.100 -11.946 1.00 73.13 C ATOM 1344 CE LYS A 88 16.989 -1.740 -12.040 1.00 11.13 C ATOM 1345 NZ LYS A 88 17.411 -0.834 -10.936 1.00 30.44 N1+ ATOM 0 H LYS A 88 15.809 -4.820 -15.002 1.00 21.33 H new ATOM 0 HA LYS A 88 16.578 -4.972 -12.233 1.00 11.34 H new ATOM 0 HB2 LYS A 88 13.864 -4.583 -13.557 1.00 75.34 H new ATOM 0 HB3 LYS A 88 14.224 -4.305 -11.865 1.00 75.34 H new ATOM 0 HG2 LYS A 88 15.834 -2.836 -13.936 1.00 24.51 H new ATOM 0 HG3 LYS A 88 14.191 -2.313 -13.621 1.00 24.51 H new ATOM 0 HD2 LYS A 88 14.925 -1.193 -11.814 1.00 73.13 H new ATOM 0 HD3 LYS A 88 15.346 -2.721 -11.066 1.00 73.13 H new ATOM 0 HE2 LYS A 88 17.588 -2.650 -12.011 1.00 11.13 H new ATOM 0 HE3 LYS A 88 17.185 -1.260 -12.999 1.00 11.13 H new ATOM 0 HZ1 LYS A 88 18.422 -0.612 -11.036 1.00 30.44 H new ATOM 0 HZ2 LYS A 88 16.858 0.046 -10.978 1.00 30.44 H new ATOM 0 HZ3 LYS A 88 17.248 -1.302 -10.022 1.00 30.44 H new ATOM 1359 N ILE A 89 14.873 -7.393 -13.622 1.00 4.34 N ATOM 1360 CA ILE A 89 14.383 -8.752 -13.426 1.00 61.10 C ATOM 1361 C ILE A 89 15.382 -9.778 -13.949 1.00 40.34 C ATOM 1362 O ILE A 89 15.889 -9.653 -15.063 1.00 73.31 O ATOM 1363 CB ILE A 89 13.028 -8.968 -14.126 1.00 34.53 C ATOM 1364 CG1 ILE A 89 12.034 -7.884 -13.706 1.00 63.53 C ATOM 1365 CG2 ILE A 89 12.481 -10.350 -13.805 1.00 22.12 C ATOM 1366 CD1 ILE A 89 11.414 -7.147 -14.873 1.00 63.11 C ATOM 0 H ILE A 89 14.836 -7.066 -14.588 1.00 4.34 H new ATOM 0 HA ILE A 89 14.254 -8.889 -12.352 1.00 61.10 H new ATOM 0 HB ILE A 89 13.177 -8.899 -15.204 1.00 34.53 H new ATOM 0 HG12 ILE A 89 11.242 -8.340 -13.112 1.00 63.53 H new ATOM 0 HG13 ILE A 89 12.542 -7.166 -13.062 1.00 63.53 H new ATOM 0 HG21 ILE A 89 11.523 -10.488 -14.307 1.00 22.12 H new ATOM 0 HG22 ILE A 89 13.184 -11.109 -14.150 1.00 22.12 H new ATOM 0 HG23 ILE A 89 12.343 -10.446 -12.728 1.00 22.12 H new ATOM 0 HD11 ILE A 89 10.720 -6.394 -14.500 1.00 63.11 H new ATOM 0 HD12 ILE A 89 12.198 -6.662 -15.455 1.00 63.11 H new ATOM 0 HD13 ILE A 89 10.877 -7.854 -15.506 1.00 63.11 H new ATOM 1378 N GLU A 90 15.659 -10.793 -13.136 1.00 44.31 N ATOM 1379 CA GLU A 90 16.598 -11.841 -13.517 1.00 3.44 C ATOM 1380 C GLU A 90 15.870 -13.008 -14.182 1.00 63.21 C ATOM 1381 O GLU A 90 14.713 -13.289 -13.871 1.00 12.42 O ATOM 1382 CB GLU A 90 17.368 -12.338 -12.292 1.00 21.54 C ATOM 1383 CG GLU A 90 18.838 -11.951 -12.299 1.00 21.32 C ATOM 1384 CD GLU A 90 19.759 -13.155 -12.323 1.00 53.14 C ATOM 1385 OE1 GLU A 90 19.381 -14.177 -12.934 1.00 2.24 O ATOM 1386 OE2 GLU A 90 20.855 -13.077 -11.732 1.00 73.11 O1- ATOM 0 H GLU A 90 15.247 -10.911 -12.211 1.00 44.31 H new ATOM 0 HA GLU A 90 17.303 -11.419 -14.233 1.00 3.44 H new ATOM 0 HB2 GLU A 90 16.900 -11.938 -11.392 1.00 21.54 H new ATOM 0 HB3 GLU A 90 17.287 -13.424 -12.238 1.00 21.54 H new ATOM 0 HG2 GLU A 90 19.041 -11.326 -13.169 1.00 21.32 H new ATOM 0 HG3 GLU A 90 19.056 -11.350 -11.416 1.00 21.32 H new ATOM 1393 N LEU A 91 16.558 -13.680 -15.097 1.00 41.35 N ATOM 1394 CA LEU A 91 15.979 -14.816 -15.807 1.00 12.31 C ATOM 1395 C LEU A 91 16.663 -16.118 -15.402 1.00 71.23 C ATOM 1396 O LEU A 91 17.882 -16.249 -15.509 1.00 24.34 O ATOM 1397 CB LEU A 91 16.096 -14.613 -17.319 1.00 34.35 C ATOM 1398 CG LEU A 91 15.489 -13.323 -17.872 1.00 43.14 C ATOM 1399 CD1 LEU A 91 16.104 -12.978 -19.219 1.00 21.14 C ATOM 1400 CD2 LEU A 91 13.977 -13.454 -17.991 1.00 15.23 C ATOM 0 H LEU A 91 17.517 -13.459 -15.365 1.00 41.35 H new ATOM 0 HA LEU A 91 14.925 -14.882 -15.537 1.00 12.31 H new ATOM 0 HB2 LEU A 91 17.152 -14.639 -17.588 1.00 34.35 H new ATOM 0 HB3 LEU A 91 15.620 -15.458 -17.817 1.00 34.35 H new ATOM 0 HG LEU A 91 15.710 -12.513 -17.177 1.00 43.14 H new ATOM 0 HD11 LEU A 91 15.660 -12.057 -19.597 1.00 21.14 H new ATOM 0 HD12 LEU A 91 17.179 -12.841 -19.104 1.00 21.14 H new ATOM 0 HD13 LEU A 91 15.915 -13.788 -19.924 1.00 21.14 H new ATOM 0 HD21 LEU A 91 13.561 -12.527 -18.386 1.00 15.23 H new ATOM 0 HD22 LEU A 91 13.735 -14.276 -18.664 1.00 15.23 H new ATOM 0 HD23 LEU A 91 13.551 -13.653 -17.008 1.00 15.23 H new ATOM 1412 N SER A 92 15.869 -17.079 -14.940 1.00 62.30 N ATOM 1413 CA SER A 92 16.399 -18.370 -14.518 1.00 12.01 C ATOM 1414 C SER A 92 15.504 -19.508 -15.000 1.00 53.43 C ATOM 1415 O SER A 92 14.376 -19.667 -14.536 1.00 42.11 O ATOM 1416 CB SER A 92 16.528 -18.419 -12.994 1.00 32.04 C ATOM 1417 OG SER A 92 16.097 -17.204 -12.406 1.00 24.24 O ATOM 0 H SER A 92 14.857 -16.988 -14.849 1.00 62.30 H new ATOM 0 HA SER A 92 17.386 -18.493 -14.963 1.00 12.01 H new ATOM 0 HB2 SER A 92 15.936 -19.246 -12.602 1.00 32.04 H new ATOM 0 HB3 SER A 92 17.565 -18.611 -12.720 1.00 32.04 H new ATOM 0 HG SER A 92 15.143 -17.074 -12.586 1.00 24.24 H new ATOM 1423 N GLY A 93 16.017 -20.299 -15.938 1.00 72.14 N ATOM 1424 CA GLY A 93 15.252 -21.412 -16.469 1.00 41.14 C ATOM 1425 C GLY A 93 14.788 -21.170 -17.891 1.00 52.41 C ATOM 1426 O GLY A 93 15.279 -21.801 -18.828 1.00 72.03 O ATOM 0 H GLY A 93 16.948 -20.189 -16.339 1.00 72.14 H new ATOM 0 HA2 GLY A 93 15.861 -22.315 -16.438 1.00 41.14 H new ATOM 0 HA3 GLY A 93 14.385 -21.590 -15.832 1.00 41.14 H new ATOM 1430 N ASP A 94 13.837 -20.257 -18.054 1.00 50.01 N ATOM 1431 CA ASP A 94 13.305 -19.933 -19.373 1.00 42.00 C ATOM 1432 C ASP A 94 12.984 -18.445 -19.479 1.00 61.22 C ATOM 1433 O ASP A 94 12.002 -17.971 -18.909 1.00 24.31 O ATOM 1434 CB ASP A 94 12.051 -20.760 -19.657 1.00 44.20 C ATOM 1435 CG ASP A 94 12.015 -21.290 -21.076 1.00 62.13 C ATOM 1436 OD1 ASP A 94 11.789 -22.506 -21.252 1.00 22.23 O ATOM 1437 OD2 ASP A 94 12.211 -20.488 -22.014 1.00 42.01 O1- ATOM 0 H ASP A 94 13.418 -19.728 -17.289 1.00 50.01 H new ATOM 0 HA ASP A 94 14.066 -20.175 -20.115 1.00 42.00 H new ATOM 0 HB2 ASP A 94 12.005 -21.596 -18.959 1.00 44.20 H new ATOM 0 HB3 ASP A 94 11.167 -20.147 -19.479 1.00 44.20 H new ATOM 1442 N ALA A 95 13.819 -17.716 -20.212 1.00 52.22 N ATOM 1443 CA ALA A 95 13.624 -16.283 -20.393 1.00 61.03 C ATOM 1444 C ALA A 95 12.459 -16.003 -21.337 1.00 63.24 C ATOM 1445 O ALA A 95 11.796 -14.971 -21.231 1.00 24.01 O ATOM 1446 CB ALA A 95 14.898 -15.639 -20.919 1.00 22.22 C ATOM 0 H ALA A 95 14.637 -18.094 -20.690 1.00 52.22 H new ATOM 0 HA ALA A 95 13.384 -15.848 -19.423 1.00 61.03 H new ATOM 0 HB1 ALA A 95 14.738 -14.569 -21.049 1.00 22.22 H new ATOM 0 HB2 ALA A 95 15.708 -15.801 -20.208 1.00 22.22 H new ATOM 0 HB3 ALA A 95 15.163 -16.086 -21.877 1.00 22.22 H new ATOM 1452 N ASP A 96 12.216 -16.928 -22.259 1.00 31.21 N ATOM 1453 CA ASP A 96 11.130 -16.781 -23.222 1.00 63.04 C ATOM 1454 C ASP A 96 9.775 -16.826 -22.524 1.00 71.11 C ATOM 1455 O ASP A 96 8.935 -15.945 -22.716 1.00 42.54 O ATOM 1456 CB ASP A 96 11.208 -17.880 -24.283 1.00 13.52 C ATOM 1457 CG ASP A 96 10.573 -17.464 -25.595 1.00 14.13 C ATOM 1458 OD1 ASP A 96 9.369 -17.133 -25.593 1.00 42.02 O ATOM 1459 OD2 ASP A 96 11.281 -17.471 -26.624 1.00 51.14 O1- ATOM 0 H ASP A 96 12.756 -17.787 -22.360 1.00 31.21 H new ATOM 0 HA ASP A 96 11.237 -15.811 -23.707 1.00 63.04 H new ATOM 0 HB2 ASP A 96 12.252 -18.142 -24.455 1.00 13.52 H new ATOM 0 HB3 ASP A 96 10.712 -18.776 -23.911 1.00 13.52 H new ATOM 1464 N LEU A 97 9.567 -17.856 -21.712 1.00 21.24 N ATOM 1465 CA LEU A 97 8.313 -18.017 -20.985 1.00 53.03 C ATOM 1466 C LEU A 97 7.994 -16.769 -20.166 1.00 34.03 C ATOM 1467 O LEU A 97 6.871 -16.266 -20.195 1.00 22.40 O ATOM 1468 CB LEU A 97 8.385 -19.238 -20.067 1.00 23.04 C ATOM 1469 CG LEU A 97 7.414 -20.376 -20.384 1.00 32.22 C ATOM 1470 CD1 LEU A 97 7.769 -21.619 -19.585 1.00 33.50 C ATOM 1471 CD2 LEU A 97 5.981 -19.948 -20.099 1.00 13.34 C ATOM 0 H LEU A 97 10.251 -18.593 -21.540 1.00 21.24 H new ATOM 0 HA LEU A 97 7.516 -18.165 -21.714 1.00 53.03 H new ATOM 0 HB2 LEU A 97 9.400 -19.634 -20.101 1.00 23.04 H new ATOM 0 HB3 LEU A 97 8.205 -18.909 -19.044 1.00 23.04 H new ATOM 0 HG LEU A 97 7.498 -20.615 -21.444 1.00 32.22 H new ATOM 0 HD11 LEU A 97 7.067 -22.418 -19.824 1.00 33.50 H new ATOM 0 HD12 LEU A 97 8.781 -21.937 -19.837 1.00 33.50 H new ATOM 0 HD13 LEU A 97 7.714 -21.395 -18.520 1.00 33.50 H new ATOM 0 HD21 LEU A 97 5.303 -20.770 -20.330 1.00 13.34 H new ATOM 0 HD22 LEU A 97 5.883 -19.682 -19.047 1.00 13.34 H new ATOM 0 HD23 LEU A 97 5.729 -19.086 -20.716 1.00 13.34 H new ATOM 1483 N ALA A 98 8.990 -16.274 -19.440 1.00 51.02 N ATOM 1484 CA ALA A 98 8.817 -15.083 -18.617 1.00 72.21 C ATOM 1485 C ALA A 98 8.689 -13.833 -19.482 1.00 74.34 C ATOM 1486 O ALA A 98 7.946 -12.911 -19.148 1.00 70.15 O ATOM 1487 CB ALA A 98 9.980 -14.939 -17.647 1.00 43.44 C ATOM 0 H ALA A 98 9.925 -16.679 -19.405 1.00 51.02 H new ATOM 0 HA ALA A 98 7.895 -15.195 -18.047 1.00 72.21 H new ATOM 0 HB1 ALA A 98 9.838 -14.046 -17.039 1.00 43.44 H new ATOM 0 HB2 ALA A 98 10.025 -15.815 -17.000 1.00 43.44 H new ATOM 0 HB3 ALA A 98 10.912 -14.853 -18.206 1.00 43.44 H new ATOM 1493 N ALA A 99 9.418 -13.810 -20.592 1.00 41.25 N ATOM 1494 CA ALA A 99 9.385 -12.674 -21.504 1.00 41.24 C ATOM 1495 C ALA A 99 7.990 -12.479 -22.088 1.00 64.45 C ATOM 1496 O ALA A 99 7.494 -11.356 -22.179 1.00 63.22 O ATOM 1497 CB ALA A 99 10.404 -12.861 -22.618 1.00 14.33 C ATOM 0 H ALA A 99 10.039 -14.566 -20.882 1.00 41.25 H new ATOM 0 HA ALA A 99 9.642 -11.778 -20.938 1.00 41.24 H new ATOM 0 HB1 ALA A 99 10.368 -12.005 -23.292 1.00 14.33 H new ATOM 0 HB2 ALA A 99 11.402 -12.943 -22.188 1.00 14.33 H new ATOM 0 HB3 ALA A 99 10.173 -13.770 -23.174 1.00 14.33 H new ATOM 1503 N LYS A 100 7.360 -13.581 -22.484 1.00 1.23 N ATOM 1504 CA LYS A 100 6.021 -13.533 -23.058 1.00 72.44 C ATOM 1505 C LYS A 100 5.067 -12.763 -22.152 1.00 13.34 C ATOM 1506 O LYS A 100 4.270 -11.950 -22.620 1.00 61.21 O ATOM 1507 CB LYS A 100 5.492 -14.951 -23.289 1.00 31.43 C ATOM 1508 CG LYS A 100 4.129 -14.989 -23.959 1.00 4.53 C ATOM 1509 CD LYS A 100 3.766 -16.396 -24.401 1.00 22.41 C ATOM 1510 CE LYS A 100 2.428 -16.425 -25.126 1.00 35.11 C ATOM 1511 NZ LYS A 100 2.595 -16.649 -26.589 1.00 40.13 N1+ ATOM 0 H LYS A 100 7.756 -14.518 -22.417 1.00 1.23 H new ATOM 0 HA LYS A 100 6.081 -13.014 -24.015 1.00 72.44 H new ATOM 0 HB2 LYS A 100 6.205 -15.500 -23.903 1.00 31.43 H new ATOM 0 HB3 LYS A 100 5.432 -15.468 -22.331 1.00 31.43 H new ATOM 0 HG2 LYS A 100 3.372 -14.617 -23.268 1.00 4.53 H new ATOM 0 HG3 LYS A 100 4.128 -14.323 -24.822 1.00 4.53 H new ATOM 0 HD2 LYS A 100 4.545 -16.785 -25.057 1.00 22.41 H new ATOM 0 HD3 LYS A 100 3.724 -17.052 -23.532 1.00 22.41 H new ATOM 0 HE2 LYS A 100 1.805 -17.215 -24.706 1.00 35.11 H new ATOM 0 HE3 LYS A 100 1.904 -15.483 -24.960 1.00 35.11 H new ATOM 0 HZ1 LYS A 100 1.661 -16.662 -27.047 1.00 40.13 H new ATOM 0 HZ2 LYS A 100 3.169 -15.882 -26.994 1.00 40.13 H new ATOM 0 HZ3 LYS A 100 3.072 -17.559 -26.749 1.00 40.13 H new ATOM 1525 N LEU A 101 5.153 -13.025 -20.851 1.00 12.30 N ATOM 1526 CA LEU A 101 4.298 -12.355 -19.877 1.00 3.23 C ATOM 1527 C LEU A 101 4.415 -10.839 -20.002 1.00 62.45 C ATOM 1528 O LEU A 101 3.414 -10.140 -20.147 1.00 14.21 O ATOM 1529 CB LEU A 101 4.667 -12.792 -18.460 1.00 62.20 C ATOM 1530 CG LEU A 101 3.581 -13.535 -17.681 1.00 45.40 C ATOM 1531 CD1 LEU A 101 3.032 -14.691 -18.502 1.00 50.44 C ATOM 1532 CD2 LEU A 101 4.123 -14.033 -16.350 1.00 34.24 C ATOM 0 H LEU A 101 5.806 -13.696 -20.447 1.00 12.30 H new ATOM 0 HA LEU A 101 3.265 -12.639 -20.080 1.00 3.23 H new ATOM 0 HB2 LEU A 101 5.547 -13.432 -18.517 1.00 62.20 H new ATOM 0 HB3 LEU A 101 4.952 -11.907 -17.891 1.00 62.20 H new ATOM 0 HG LEU A 101 2.766 -12.840 -17.480 1.00 45.40 H new ATOM 0 HD11 LEU A 101 2.260 -15.208 -17.932 1.00 50.44 H new ATOM 0 HD12 LEU A 101 2.603 -14.308 -19.428 1.00 50.44 H new ATOM 0 HD13 LEU A 101 3.838 -15.387 -18.735 1.00 50.44 H new ATOM 0 HD21 LEU A 101 3.335 -14.559 -15.810 1.00 34.24 H new ATOM 0 HD22 LEU A 101 4.957 -14.712 -16.528 1.00 34.24 H new ATOM 0 HD23 LEU A 101 4.466 -13.185 -15.757 1.00 34.24 H new ATOM 1544 N ALA A 102 5.645 -10.339 -19.946 1.00 31.42 N ATOM 1545 CA ALA A 102 5.893 -8.907 -20.056 1.00 1.32 C ATOM 1546 C ALA A 102 5.146 -8.310 -21.244 1.00 62.44 C ATOM 1547 O ALA A 102 4.774 -7.138 -21.228 1.00 20.35 O ATOM 1548 CB ALA A 102 7.385 -8.638 -20.179 1.00 64.24 C ATOM 0 H ALA A 102 6.485 -10.905 -19.825 1.00 31.42 H new ATOM 0 HA ALA A 102 5.522 -8.428 -19.150 1.00 1.32 H new ATOM 0 HB1 ALA A 102 7.556 -7.565 -20.260 1.00 64.24 H new ATOM 0 HB2 ALA A 102 7.898 -9.021 -19.297 1.00 64.24 H new ATOM 0 HB3 ALA A 102 7.772 -9.135 -21.068 1.00 64.24 H new ATOM 1554 N GLU A 103 4.933 -9.125 -22.273 1.00 45.13 N ATOM 1555 CA GLU A 103 4.232 -8.675 -23.470 1.00 0.13 C ATOM 1556 C GLU A 103 2.760 -8.406 -23.170 1.00 54.13 C ATOM 1557 O GLU A 103 2.216 -7.371 -23.553 1.00 43.44 O ATOM 1558 CB GLU A 103 4.354 -9.719 -24.582 1.00 65.34 C ATOM 1559 CG GLU A 103 4.076 -9.165 -25.970 1.00 71.40 C ATOM 1560 CD GLU A 103 3.673 -10.243 -26.957 1.00 43.23 C ATOM 1561 OE1 GLU A 103 4.566 -10.771 -27.655 1.00 35.33 O ATOM 1562 OE2 GLU A 103 2.468 -10.559 -27.034 1.00 44.42 O1- ATOM 0 H GLU A 103 5.235 -10.099 -22.302 1.00 45.13 H new ATOM 0 HA GLU A 103 4.693 -7.745 -23.802 1.00 0.13 H new ATOM 0 HB2 GLU A 103 5.358 -10.142 -24.563 1.00 65.34 H new ATOM 0 HB3 GLU A 103 3.661 -10.535 -24.380 1.00 65.34 H new ATOM 0 HG2 GLU A 103 3.283 -8.420 -25.908 1.00 71.40 H new ATOM 0 HG3 GLU A 103 4.966 -8.654 -26.338 1.00 71.40 H new ATOM 1569 N VAL A 104 2.121 -9.347 -22.481 1.00 33.41 N ATOM 1570 CA VAL A 104 0.713 -9.213 -22.128 1.00 23.33 C ATOM 1571 C VAL A 104 0.495 -8.048 -21.171 1.00 20.50 C ATOM 1572 O VAL A 104 -0.618 -7.538 -21.040 1.00 4.15 O ATOM 1573 CB VAL A 104 0.170 -10.503 -21.483 1.00 33.51 C ATOM 1574 CG1 VAL A 104 0.422 -10.496 -19.983 1.00 74.10 C ATOM 1575 CG2 VAL A 104 -1.312 -10.664 -21.783 1.00 43.11 C ATOM 0 H VAL A 104 2.557 -10.210 -22.156 1.00 33.41 H new ATOM 0 HA VAL A 104 0.171 -9.024 -23.055 1.00 23.33 H new ATOM 0 HB VAL A 104 0.698 -11.355 -21.912 1.00 33.51 H new ATOM 0 HG11 VAL A 104 0.032 -11.414 -19.544 1.00 74.10 H new ATOM 0 HG12 VAL A 104 1.494 -10.430 -19.794 1.00 74.10 H new ATOM 0 HG13 VAL A 104 -0.079 -9.638 -19.534 1.00 74.10 H new ATOM 0 HG21 VAL A 104 -1.679 -11.580 -21.320 1.00 43.11 H new ATOM 0 HG22 VAL A 104 -1.859 -9.810 -21.383 1.00 43.11 H new ATOM 0 HG23 VAL A 104 -1.461 -10.717 -22.861 1.00 43.11 H new ATOM 1585 N ILE A 105 1.565 -7.631 -20.502 1.00 64.50 N ATOM 1586 CA ILE A 105 1.491 -6.524 -19.556 1.00 64.45 C ATOM 1587 C ILE A 105 1.242 -5.203 -20.275 1.00 25.40 C ATOM 1588 O ILE A 105 0.621 -4.291 -19.727 1.00 74.01 O ATOM 1589 CB ILE A 105 2.781 -6.407 -18.724 1.00 25.25 C ATOM 1590 CG1 ILE A 105 2.995 -7.674 -17.894 1.00 71.41 C ATOM 1591 CG2 ILE A 105 2.722 -5.181 -17.825 1.00 10.31 C ATOM 1592 CD1 ILE A 105 4.249 -7.639 -17.048 1.00 20.20 C ATOM 0 H ILE A 105 2.493 -8.043 -20.598 1.00 64.50 H new ATOM 0 HA ILE A 105 0.656 -6.735 -18.888 1.00 64.45 H new ATOM 0 HB ILE A 105 3.626 -6.294 -19.404 1.00 25.25 H new ATOM 0 HG12 ILE A 105 2.132 -7.823 -17.244 1.00 71.41 H new ATOM 0 HG13 ILE A 105 3.042 -8.533 -18.563 1.00 71.41 H new ATOM 0 HG21 ILE A 105 3.641 -5.112 -17.243 1.00 10.31 H new ATOM 0 HG22 ILE A 105 2.612 -4.286 -18.437 1.00 10.31 H new ATOM 0 HG23 ILE A 105 1.871 -5.266 -17.150 1.00 10.31 H new ATOM 0 HD11 ILE A 105 4.336 -8.570 -16.487 1.00 20.20 H new ATOM 0 HD12 ILE A 105 5.120 -7.522 -17.693 1.00 20.20 H new ATOM 0 HD13 ILE A 105 4.196 -6.800 -16.354 1.00 20.20 H new ATOM 1604 N HIS A 106 1.728 -5.105 -21.509 1.00 4.44 N ATOM 1605 CA HIS A 106 1.556 -3.895 -22.306 1.00 52.41 C ATOM 1606 C HIS A 106 0.089 -3.482 -22.354 1.00 72.24 C ATOM 1607 O HIS A 106 -0.319 -2.522 -21.698 1.00 4.11 O ATOM 1608 CB HIS A 106 2.085 -4.113 -23.724 1.00 33.32 C ATOM 1609 CG HIS A 106 3.552 -3.846 -23.863 1.00 62.22 C ATOM 1610 ND1 HIS A 106 4.429 -4.742 -24.437 1.00 53.42 N ATOM 1611 CD2 HIS A 106 4.295 -2.773 -23.504 1.00 33.43 C ATOM 1612 CE1 HIS A 106 5.648 -4.233 -24.421 1.00 21.21 C ATOM 1613 NE2 HIS A 106 5.594 -3.039 -23.860 1.00 23.34 N ATOM 0 H HIS A 106 2.244 -5.849 -21.979 1.00 4.44 H new ATOM 0 HA HIS A 106 2.125 -3.094 -21.835 1.00 52.41 H new ATOM 0 HB2 HIS A 106 1.881 -5.140 -24.025 1.00 33.32 H new ATOM 0 HB3 HIS A 106 1.539 -3.465 -24.410 1.00 33.32 H new ATOM 0 HD2 HIS A 106 3.933 -1.875 -23.026 1.00 33.43 H new ATOM 0 HE1 HIS A 106 6.538 -4.712 -24.802 1.00 21.21 H new ATOM 0 HE2 HIS A 106 6.388 -2.416 -23.715 1.00 23.34 H new ATOM 1621 N HIS A 107 -0.701 -4.210 -23.137 1.00 10.53 N ATOM 1622 CA HIS A 107 -2.123 -3.918 -23.273 1.00 31.12 C ATOM 1623 C HIS A 107 -2.345 -2.452 -23.630 1.00 63.22 C ATOM 1624 O HIS A 107 -1.400 -1.731 -23.953 1.00 44.22 O ATOM 1625 CB HIS A 107 -2.860 -4.257 -21.977 1.00 2.41 C ATOM 1626 CG HIS A 107 -4.094 -5.078 -22.186 1.00 35.31 C ATOM 1627 ND1 HIS A 107 -4.081 -6.313 -22.801 1.00 74.24 N ATOM 1628 CD2 HIS A 107 -5.385 -4.838 -21.858 1.00 40.51 C ATOM 1629 CE1 HIS A 107 -5.310 -6.795 -22.843 1.00 60.13 C ATOM 1630 NE2 HIS A 107 -6.120 -5.919 -22.276 1.00 32.02 N ATOM 0 H HIS A 107 -0.380 -5.007 -23.687 1.00 10.53 H new ATOM 0 HA HIS A 107 -2.520 -4.534 -24.080 1.00 31.12 H new ATOM 0 HB2 HIS A 107 -2.183 -4.796 -21.314 1.00 2.41 H new ATOM 0 HB3 HIS A 107 -3.131 -3.331 -21.470 1.00 2.41 H new ATOM 0 HD2 HIS A 107 -5.766 -3.959 -21.360 1.00 40.51 H new ATOM 0 HE1 HIS A 107 -5.603 -7.744 -23.268 1.00 60.13 H new ATOM 0 HE2 HIS A 107 -7.128 -6.028 -22.167 1.00 32.02 H new ATOM 1638 N HIS A 108 -3.600 -2.017 -23.573 1.00 45.32 N ATOM 1639 CA HIS A 108 -3.946 -0.635 -23.890 1.00 4.03 C ATOM 1640 C HIS A 108 -3.377 0.321 -22.848 1.00 72.22 C ATOM 1641 O HIS A 108 -2.570 -0.073 -22.004 1.00 3.23 O ATOM 1642 CB HIS A 108 -5.464 -0.475 -23.972 1.00 41.24 C ATOM 1643 CG HIS A 108 -6.136 -1.534 -24.790 1.00 54.24 C ATOM 1644 ND1 HIS A 108 -6.191 -1.500 -26.167 1.00 72.21 N ATOM 1645 CD2 HIS A 108 -6.782 -2.664 -24.417 1.00 62.05 C ATOM 1646 CE1 HIS A 108 -6.844 -2.562 -26.605 1.00 12.10 C ATOM 1647 NE2 HIS A 108 -7.213 -3.285 -25.564 1.00 53.45 N ATOM 0 H HIS A 108 -4.394 -2.601 -23.310 1.00 45.32 H new ATOM 0 HA HIS A 108 -3.509 -0.389 -24.858 1.00 4.03 H new ATOM 0 HB2 HIS A 108 -5.877 -0.490 -22.964 1.00 41.24 H new ATOM 0 HB3 HIS A 108 -5.695 0.502 -24.397 1.00 41.24 H new ATOM 0 HD2 HIS A 108 -6.931 -3.012 -23.406 1.00 62.05 H new ATOM 0 HE1 HIS A 108 -7.042 -2.799 -27.640 1.00 12.10 H new ATOM 0 HE2 HIS A 108 -7.733 -4.161 -25.605 1.00 53.45 H new ATOM 1655 N HIS A 109 -3.800 1.579 -22.911 1.00 52.35 N ATOM 1656 CA HIS A 109 -3.332 2.592 -21.972 1.00 11.14 C ATOM 1657 C HIS A 109 -3.503 2.120 -20.533 1.00 61.53 C ATOM 1658 O HIS A 109 -4.625 1.981 -20.043 1.00 23.40 O ATOM 1659 CB HIS A 109 -4.090 3.903 -22.184 1.00 3.42 C ATOM 1660 CG HIS A 109 -3.782 4.569 -23.490 1.00 63.42 C ATOM 1661 ND1 HIS A 109 -2.791 5.517 -23.637 1.00 45.04 N ATOM 1662 CD2 HIS A 109 -4.340 4.417 -24.714 1.00 32.11 C ATOM 1663 CE1 HIS A 109 -2.754 5.921 -24.894 1.00 34.32 C ATOM 1664 NE2 HIS A 109 -3.683 5.268 -25.570 1.00 11.45 N ATOM 0 H HIS A 109 -4.467 1.922 -23.603 1.00 52.35 H new ATOM 0 HA HIS A 109 -2.271 2.760 -22.157 1.00 11.14 H new ATOM 0 HB2 HIS A 109 -5.161 3.707 -22.129 1.00 3.42 H new ATOM 0 HB3 HIS A 109 -3.849 4.588 -21.371 1.00 3.42 H new ATOM 0 HD2 HIS A 109 -5.151 3.751 -24.970 1.00 32.11 H new ATOM 0 HE1 HIS A 109 -2.079 6.660 -25.300 1.00 34.32 H new ATOM 0 HE2 HIS A 109 -3.880 5.378 -26.565 1.00 11.45 H new ATOM 1672 N HIS A 110 -2.384 1.871 -19.859 1.00 63.25 N ATOM 1673 CA HIS A 110 -2.411 1.413 -18.475 1.00 60.44 C ATOM 1674 C HIS A 110 -2.905 2.519 -17.545 1.00 41.24 C ATOM 1675 O HIS A 110 -3.391 3.554 -18.000 1.00 3.33 O ATOM 1676 CB HIS A 110 -1.020 0.950 -18.041 1.00 25.35 C ATOM 1677 CG HIS A 110 -1.034 -0.306 -17.226 1.00 31.33 C ATOM 1678 ND1 HIS A 110 -0.434 -0.407 -15.988 1.00 3.51 N ATOM 1679 CD2 HIS A 110 -1.580 -1.519 -17.477 1.00 15.11 C ATOM 1680 CE1 HIS A 110 -0.610 -1.627 -15.514 1.00 32.02 C ATOM 1681 NE2 HIS A 110 -1.303 -2.321 -16.398 1.00 44.22 N ATOM 0 H HIS A 110 -1.448 1.979 -20.249 1.00 63.25 H new ATOM 0 HA HIS A 110 -3.102 0.573 -18.411 1.00 60.44 H new ATOM 0 HB2 HIS A 110 -0.406 0.791 -18.927 1.00 25.35 H new ATOM 0 HB3 HIS A 110 -0.546 1.743 -17.463 1.00 25.35 H new ATOM 0 HD2 HIS A 110 -2.131 -1.803 -18.361 1.00 15.11 H new ATOM 0 HE1 HIS A 110 -0.249 -1.994 -14.565 1.00 32.02 H new ATOM 0 HE2 HIS A 110 -1.587 -3.295 -16.296 1.00 44.22 H new ATOM 1689 N HIS A 111 -2.776 2.290 -16.242 1.00 71.21 N ATOM 1690 CA HIS A 111 -3.209 3.268 -15.249 1.00 52.02 C ATOM 1691 C HIS A 111 -4.707 3.534 -15.366 1.00 34.54 C ATOM 1692 O HIS A 111 -5.442 2.655 -15.815 1.00 65.33 O ATOM 1693 CB HIS A 111 -2.433 4.574 -15.416 1.00 34.45 C ATOM 1694 CG HIS A 111 -2.730 5.587 -14.353 1.00 61.54 C ATOM 1695 ND1 HIS A 111 -3.129 6.876 -14.634 1.00 13.21 N ATOM 1696 CD2 HIS A 111 -2.684 5.493 -13.004 1.00 3.44 C ATOM 1697 CE1 HIS A 111 -3.316 7.533 -13.502 1.00 13.33 C ATOM 1698 NE2 HIS A 111 -3.053 6.716 -12.499 1.00 25.24 N ATOM 0 H HIS A 111 -2.376 1.438 -15.849 1.00 71.21 H new ATOM 0 HA HIS A 111 -3.007 2.858 -14.259 1.00 52.02 H new ATOM 0 HB2 HIS A 111 -1.365 4.356 -15.410 1.00 34.45 H new ATOM 0 HB3 HIS A 111 -2.665 5.003 -16.391 1.00 34.45 H new ATOM 0 HD2 HIS A 111 -2.409 4.620 -12.431 1.00 3.44 H new ATOM 0 HE1 HIS A 111 -3.630 8.562 -13.413 1.00 13.33 H new ATOM 0 HE2 HIS A 111 -3.114 6.954 -11.509 1.00 25.24 H new TER 1706 HIS A 111 HETATM 1707 C1 PLM A 201 -1.364 -17.082 -19.348 1.00 11.25 C HETATM 1708 O1 PLM A 201 -0.466 -16.994 -18.326 1.00 30.44 O HETATM 1709 O2 PLM A 201 -2.388 -17.755 -19.287 1.00 43.03 O HETATM 1710 C2 PLM A 201 -0.955 -16.251 -20.593 1.00 21.42 C HETATM 1711 C3 PLM A 201 -1.087 -14.719 -20.282 1.00 43.24 C HETATM 1712 C4 PLM A 201 -0.048 -14.165 -19.281 1.00 40.30 C HETATM 1713 C5 PLM A 201 -0.688 -13.249 -18.222 1.00 45.00 C HETATM 1714 C6 PLM A 201 -1.137 -14.030 -16.973 1.00 34.21 C HETATM 1715 C7 PLM A 201 -0.351 -13.616 -15.713 1.00 23.23 C HETATM 1716 C8 PLM A 201 -0.582 -12.139 -15.342 1.00 50.35 C HETATM 1717 C9 PLM A 201 0.403 -11.647 -14.263 1.00 13.45 C HETATM 1718 CA PLM A 201 1.880 -11.626 -14.711 1.00 44.10 C HETATM 1719 CB PLM A 201 2.763 -11.074 -13.575 1.00 71.52 C HETATM 1720 CC PLM A 201 3.199 -12.385 -12.653 1.00 61.21 C HETATM 1721 CD PLM A 201 4.231 -11.984 -11.582 1.00 62.02 C HETATM 1722 CE PLM A 201 5.564 -11.520 -12.201 1.00 10.40 C HETATM 1723 CF PLM A 201 6.263 -12.643 -12.987 1.00 25.23 C HETATM 1724 CG PLM A 201 6.690 -13.797 -12.072 1.00 45.31 C HETATM 0 HG3 PLM A 201 7.383 -13.425 -11.317 1.00 45.31 H new HETATM 0 HG2 PLM A 201 5.811 -14.218 -11.583 1.00 45.31 H new HETATM 0 HG1 PLM A 201 7.180 -14.569 -12.665 1.00 45.31 H new HETATM 0 HF2 PLM A 201 5.591 -13.020 -13.758 1.00 25.23 H new HETATM 0 HF1 PLM A 201 7.138 -12.240 -13.496 1.00 25.23 H new HETATM 0 HE2 PLM A 201 5.380 -10.675 -12.865 1.00 10.40 H new HETATM 0 HE1 PLM A 201 6.226 -11.166 -11.411 1.00 10.40 H new HETATM 0 HD2 PLM A 201 3.820 -11.184 -10.966 1.00 62.02 H new HETATM 0 HD1 PLM A 201 4.415 -12.832 -10.922 1.00 62.02 H new HETATM 0 HC2 PLM A 201 2.316 -12.807 -12.173 1.00 61.21 H new HETATM 0 HC1 PLM A 201 3.616 -13.162 -13.293 1.00 61.21 H new HETATM 0 HB2 PLM A 201 3.642 -10.569 -13.975 1.00 71.52 H new HETATM 0 HB1 PLM A 201 2.219 -10.342 -12.979 1.00 71.52 H new HETATM 0 HA2 PLM A 201 2.203 -12.632 -14.978 1.00 44.10 H new HETATM 0 HA1 PLM A 201 1.990 -11.008 -15.602 1.00 44.10 H new HETATM 0 H92 PLM A 201 0.115 -10.642 -13.956 1.00 13.45 H new HETATM 0 H91 PLM A 201 0.311 -12.287 -13.385 1.00 13.45 H new HETATM 0 H82 PLM A 201 -0.478 -11.522 -16.234 1.00 50.35 H new HETATM 0 H81 PLM A 201 -1.604 -12.012 -14.984 1.00 50.35 H new HETATM 0 H72 PLM A 201 -0.648 -14.249 -14.877 1.00 23.23 H new HETATM 0 H71 PLM A 201 0.713 -13.785 -15.879 1.00 23.23 H new HETATM 0 H62 PLM A 201 -2.201 -13.864 -16.806 1.00 34.21 H new HETATM 0 H61 PLM A 201 -1.004 -15.098 -17.147 1.00 34.21 H new HETATM 0 H52 PLM A 201 0.027 -12.479 -17.930 1.00 45.00 H new HETATM 0 H51 PLM A 201 -1.547 -12.738 -18.657 1.00 45.00 H new HETATM 0 H42 PLM A 201 0.454 -14.996 -18.784 1.00 40.30 H new HETATM 0 H41 PLM A 201 0.717 -13.610 -19.824 1.00 40.30 H new HETATM 0 H32 PLM A 201 -1.000 -14.165 -21.217 1.00 43.24 H new HETATM 0 H31 PLM A 201 -2.086 -14.528 -19.889 1.00 43.24 H new HETATM 0 H22 PLM A 201 0.071 -16.486 -20.876 1.00 21.42 H new HETATM 0 H21 PLM A 201 -1.588 -16.514 -21.440 1.00 21.42 H new HETATM 0 H PLM A 201 0.436 -17.167 -18.667 1.00 30.44 H new HETATM 1757 C1 PLM A 202 2.795 -6.028 -13.654 1.00 15.44 C HETATM 1758 O1 PLM A 202 2.743 -4.779 -14.197 1.00 73.20 O HETATM 1759 O2 PLM A 202 3.723 -6.807 -13.847 1.00 74.42 O HETATM 1760 C2 PLM A 202 1.562 -6.362 -12.772 1.00 5.04 C HETATM 1761 C3 PLM A 202 1.603 -5.516 -11.451 1.00 32.23 C HETATM 1762 C4 PLM A 202 2.833 -5.774 -10.550 1.00 44.01 C HETATM 1763 C5 PLM A 202 4.033 -4.888 -10.933 1.00 2.30 C HETATM 1764 C6 PLM A 202 5.099 -5.666 -11.727 1.00 64.43 C HETATM 1765 C7 PLM A 202 6.506 -5.513 -11.120 1.00 32.51 C HETATM 1766 C8 PLM A 202 7.512 -6.513 -11.721 1.00 51.45 C HETATM 1767 C9 PLM A 202 7.024 -7.101 -13.061 1.00 51.43 C HETATM 1768 CA PLM A 202 8.120 -7.815 -13.879 1.00 44.42 C HETATM 1769 CB PLM A 202 7.522 -9.042 -14.593 1.00 34.24 C HETATM 1770 CC PLM A 202 8.755 -9.691 -15.501 1.00 0.42 C HETATM 1771 CD PLM A 202 8.415 -9.643 -17.002 1.00 12.51 C HETATM 1772 CE PLM A 202 9.624 -9.224 -17.861 1.00 22.43 C HETATM 1773 CF PLM A 202 10.143 -10.377 -18.738 1.00 30.40 C HETATM 1774 CG PLM A 202 11.273 -11.153 -18.049 1.00 53.12 C HETATM 0 HG3 PLM A 202 12.104 -10.479 -17.843 1.00 53.12 H new HETATM 0 HG2 PLM A 202 10.907 -11.574 -17.113 1.00 53.12 H new HETATM 0 HG1 PLM A 202 11.611 -11.958 -18.701 1.00 53.12 H new HETATM 0 HF2 PLM A 202 9.323 -11.057 -18.967 1.00 30.40 H new HETATM 0 HF1 PLM A 202 10.502 -9.979 -19.687 1.00 30.40 H new HETATM 0 HE2 PLM A 202 9.342 -8.385 -18.497 1.00 22.43 H new HETATM 0 HE1 PLM A 202 10.426 -8.875 -17.210 1.00 22.43 H new HETATM 0 HD2 PLM A 202 8.065 -10.623 -17.325 1.00 12.51 H new HETATM 0 HD1 PLM A 202 7.596 -8.943 -17.165 1.00 12.51 H new HETATM 0 HC2 PLM A 202 9.677 -9.141 -15.315 1.00 0.42 H new HETATM 0 HC1 PLM A 202 8.932 -10.723 -15.197 1.00 0.42 H new HETATM 0 HB2 PLM A 202 7.145 -9.767 -13.872 1.00 34.24 H new HETATM 0 HB1 PLM A 202 6.682 -8.754 -15.225 1.00 34.24 H new HETATM 0 HA2 PLM A 202 8.546 -7.129 -14.611 1.00 44.42 H new HETATM 0 HA1 PLM A 202 8.933 -8.125 -13.222 1.00 44.42 H new HETATM 0 H92 PLM A 202 6.218 -7.807 -12.862 1.00 51.43 H new HETATM 0 H91 PLM A 202 6.602 -6.297 -13.665 1.00 51.43 H new HETATM 0 H82 PLM A 202 8.470 -6.015 -11.873 1.00 51.45 H new HETATM 0 H81 PLM A 202 7.683 -7.323 -11.012 1.00 51.45 H new HETATM 0 H72 PLM A 202 6.863 -4.497 -11.287 1.00 32.51 H new HETATM 0 H71 PLM A 202 6.452 -5.659 -10.041 1.00 32.51 H new HETATM 0 H62 PLM A 202 4.830 -6.722 -11.754 1.00 64.43 H new HETATM 0 H61 PLM A 202 5.110 -5.313 -12.758 1.00 64.43 H new HETATM 0 H52 PLM A 202 3.684 -4.043 -11.527 1.00 2.30 H new HETATM 0 H51 PLM A 202 4.483 -4.478 -10.029 1.00 2.30 H new HETATM 0 H42 PLM A 202 2.564 -5.589 -9.510 1.00 44.01 H new HETATM 0 H41 PLM A 202 3.121 -6.823 -10.623 1.00 44.01 H new HETATM 0 H32 PLM A 202 1.579 -4.458 -11.713 1.00 32.23 H new HETATM 0 H31 PLM A 202 0.700 -5.723 -10.876 1.00 32.23 H new HETATM 0 H22 PLM A 202 0.644 -6.151 -13.321 1.00 5.04 H new HETATM 0 H21 PLM A 202 1.553 -7.425 -12.533 1.00 5.04 H new HETATM 0 H PLM A 202 1.918 -4.333 -13.914 1.00 73.20 H new