USER MOD reduce.3.24.130724 H: found=0, std=0, add=1371, rem=0, adj=38 USER MOD reduce.3.24.130724 removed 1374 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 76 MET CE :methyl -132:sc= -0.0505 (180deg=-0.0569) USER MOD Set 1.2: A 148 LYS NZ :NH3+ 170:sc= -0.99 (180deg=-1.03) USER MOD Set 2.1: A 5 THR OG1 : rot -171:sc= 0.982 USER MOD Set 2.2: A 8 GLN :FLIP amide:sc= 0.765 F(o=-1.3!,f=1.7) USER MOD Single : A 1 ALA N :NH3+ -174:sc= 0 (180deg=-0.0414) USER MOD Single : A 3 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ -113:sc= -0.0191 (180deg=-0.225) USER MOD Single : A 26 THR OG1 : rot -150:sc= -0.584 USER MOD Single : A 28 THR OG1 : rot -176:sc= -0.565 USER MOD Single : A 29 THR OG1 : rot -130:sc= -3.16! USER MOD Single : A 30 LYS NZ :NH3+ 152:sc= -3.69! (180deg=-3.98!) USER MOD Single : A 34 THR OG1 : rot 87:sc= 1.26 USER MOD Single : A 36 MET CE :methyl 144:sc= -1.58 (180deg=-3.6!) USER MOD Single : A 38 SER OG : rot -73:sc= 1.23 USER MOD Single : A 41 GLN : amide:sc= -1.21 K(o=-1.2,f=-4.5!) USER MOD Single : A 42 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 44 THR OG1 : rot -170:sc= -0.721 USER MOD Single : A 49 GLN : amide:sc= 0.017 X(o=0.017,f=0) USER MOD Single : A 51 MET CE :methyl 178:sc= -4.25! (180deg=-4.31!) USER MOD Single : A 53 ASN :FLIP amide:sc= 0.608 F(o=0,f=0.61) USER MOD Single : A 60 ASN : amide:sc= -0.17 X(o=-0.17,f=0) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot -13:sc= -1.6! USER MOD Single : A 71 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 72 MET CE :methyl -154:sc= -1.37! (180deg=-3.21!) USER MOD Single : A 75 LYS NZ :NH3+ 159:sc= -2.93! (180deg=-4.03!) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 ASN : amide:sc= 0 X(o=0,f=0.0015) USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 SER OG : rot 180:sc= -0.977 USER MOD Single : A 107 HIS : no HD1:sc= 0 X(o=0,f=-0.44) USER MOD Single : A 109 MET CE :methyl -141:sc= -1.28 (180deg=-4.28!) USER MOD Single : A 110 THR OG1 : rot 101:sc= 1.26 USER MOD Single : A 111 ASN :FLIP amide:sc= -0.731 F(o=-2.4!,f=-0.73) USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 THR OG1 : rot -160:sc= -1.1 USER MOD Single : A 124 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 135 GLN :FLIP amide:sc= 0.999 F(o=-0.033,f=1) USER MOD Single : A 137 ASN : amide:sc= -2.58 X(o=-2.6,f=-2.6!) USER MOD Single : A 138 TYR OH : rot 180:sc= 0 USER MOD Single : A 143 GLN : amide:sc= -0.589 K(o=-0.59,f=-2.4) USER MOD Single : A 144 MET CE :methyl -112:sc= -0.0564 (180deg=-0.276) USER MOD Single : A 145 MET CE :methyl 142:sc= -2.51 (180deg=-5.84!) USER MOD Single : A 146 THR OG1 : rot 179:sc= -2.45! USER MOD Single : B 505 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 506 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 509 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 516 LYS NZ :NH3+ -115:sc= -0.67 (180deg=-1.59) USER MOD Single : B 520 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 526 CYS SG : rot -64:sc= -0.451 USER MOD Single : B 527 MET CE :methyl -178:sc= -1.43 (180deg=-1.47) USER MOD Single : B 529 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 531 LYS NZ :NH3+ -152:sc= 0 (180deg=-0.0988) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 3.954 -22.069 16.827 1.00 7.80 N ATOM 2 CA ALA A 1 4.385 -22.510 15.474 1.00 7.39 C ATOM 3 C ALA A 1 4.588 -21.317 14.538 1.00 6.58 C ATOM 4 O ALA A 1 5.564 -21.275 13.785 1.00 6.72 O ATOM 5 CB ALA A 1 3.368 -23.479 14.886 1.00 7.99 C ATOM 0 H1 ALA A 1 3.923 -22.889 17.466 1.00 7.80 H new ATOM 0 H2 ALA A 1 4.629 -21.369 17.195 1.00 7.80 H new ATOM 0 H3 ALA A 1 3.008 -21.641 16.768 1.00 7.80 H new ATOM 0 HA ALA A 1 5.343 -23.021 15.576 1.00 7.39 H new ATOM 0 HB1 ALA A 1 3.696 -23.794 13.895 1.00 7.99 H new ATOM 0 HB2 ALA A 1 3.280 -24.351 15.533 1.00 7.99 H new ATOM 0 HB3 ALA A 1 2.399 -22.986 14.808 1.00 7.99 H new ATOM 13 N ASP A 2 3.653 -20.341 14.601 1.00 6.04 N ATOM 14 CA ASP A 2 3.682 -19.112 13.770 1.00 5.55 C ATOM 15 C ASP A 2 3.567 -19.424 12.274 1.00 4.87 C ATOM 16 O ASP A 2 4.350 -20.210 11.733 1.00 5.13 O ATOM 17 CB ASP A 2 4.947 -18.273 14.034 1.00 5.87 C ATOM 18 CG ASP A 2 4.964 -17.667 15.424 1.00 6.52 C ATOM 19 OD1 ASP A 2 5.485 -18.322 16.351 1.00 7.04 O ATOM 20 OD2 ASP A 2 4.458 -16.537 15.586 1.00 6.78 O ATOM 0 H ASP A 2 2.853 -20.383 15.232 1.00 6.04 H new ATOM 0 HA ASP A 2 2.810 -18.527 14.064 1.00 5.55 H new ATOM 0 HB2 ASP A 2 5.829 -18.901 13.904 1.00 5.87 H new ATOM 0 HB3 ASP A 2 5.011 -17.476 13.293 1.00 5.87 H new ATOM 25 N GLN A 3 2.582 -18.797 11.623 1.00 4.34 N ATOM 26 CA GLN A 3 2.344 -18.991 10.189 1.00 3.83 C ATOM 27 C GLN A 3 2.517 -17.680 9.419 1.00 2.55 C ATOM 28 O GLN A 3 3.114 -17.667 8.338 1.00 2.57 O ATOM 29 CB GLN A 3 0.940 -19.560 9.948 1.00 4.64 C ATOM 30 CG GLN A 3 0.790 -21.022 10.346 1.00 5.89 C ATOM 31 CD GLN A 3 -0.609 -21.552 10.103 1.00 6.86 C ATOM 32 OE1 GLN A 3 -0.912 -22.067 9.027 1.00 7.41 O ATOM 33 NE2 GLN A 3 -1.471 -21.427 11.106 1.00 7.35 N ATOM 0 H GLN A 3 1.934 -18.148 12.069 1.00 4.34 H new ATOM 0 HA GLN A 3 3.082 -19.704 9.823 1.00 3.83 H new ATOM 0 HB2 GLN A 3 0.217 -18.966 10.507 1.00 4.64 H new ATOM 0 HB3 GLN A 3 0.692 -19.454 8.892 1.00 4.64 H new ATOM 0 HG2 GLN A 3 1.505 -21.623 9.784 1.00 5.89 H new ATOM 0 HG3 GLN A 3 1.039 -21.135 11.401 1.00 5.89 H new ATOM 0 HE21 GLN A 3 -1.176 -20.993 11.981 1.00 7.35 H new ATOM 0 HE22 GLN A 3 -2.428 -21.765 11.001 1.00 7.35 H new ATOM 42 N LEU A 4 1.992 -16.586 9.985 1.00 2.09 N ATOM 43 CA LEU A 4 2.082 -15.261 9.363 1.00 1.43 C ATOM 44 C LEU A 4 3.198 -14.441 9.990 1.00 1.51 C ATOM 45 O LEU A 4 3.626 -14.698 11.120 1.00 1.86 O ATOM 46 CB LEU A 4 0.765 -14.484 9.490 1.00 2.32 C ATOM 47 CG LEU A 4 -0.522 -15.255 9.154 1.00 2.86 C ATOM 48 CD1 LEU A 4 -1.093 -15.926 10.396 1.00 3.65 C ATOM 49 CD2 LEU A 4 -1.550 -14.322 8.532 1.00 3.75 C ATOM 0 H LEU A 4 1.498 -16.594 10.877 1.00 2.09 H new ATOM 0 HA LEU A 4 2.295 -15.424 8.307 1.00 1.43 H new ATOM 0 HB2 LEU A 4 0.684 -14.115 10.512 1.00 2.32 H new ATOM 0 HB3 LEU A 4 0.820 -13.611 8.839 1.00 2.32 H new ATOM 0 HG LEU A 4 -0.275 -16.033 8.432 1.00 2.86 H new ATOM 0 HD11 LEU A 4 -2.003 -16.465 10.133 1.00 3.65 H new ATOM 0 HD12 LEU A 4 -0.361 -16.625 10.801 1.00 3.65 H new ATOM 0 HD13 LEU A 4 -1.324 -15.169 11.145 1.00 3.65 H new ATOM 0 HD21 LEU A 4 -2.456 -14.882 8.299 1.00 3.75 H new ATOM 0 HD22 LEU A 4 -1.788 -13.523 9.234 1.00 3.75 H new ATOM 0 HD23 LEU A 4 -1.144 -13.892 7.616 1.00 3.75 H new ATOM 61 N THR A 5 3.651 -13.452 9.231 1.00 1.73 N ATOM 62 CA THR A 5 4.709 -12.543 9.655 1.00 2.05 C ATOM 63 C THR A 5 4.085 -11.215 10.104 1.00 1.66 C ATOM 64 O THR A 5 2.863 -11.059 10.055 1.00 1.15 O ATOM 65 CB THR A 5 5.727 -12.300 8.516 1.00 2.63 C ATOM 66 OG1 THR A 5 5.842 -13.471 7.694 1.00 3.14 O ATOM 67 CG2 THR A 5 7.108 -11.938 9.065 1.00 3.26 C ATOM 0 H THR A 5 3.292 -13.256 8.297 1.00 1.73 H new ATOM 0 HA THR A 5 5.247 -12.996 10.488 1.00 2.05 H new ATOM 0 HB THR A 5 5.358 -11.464 7.922 1.00 2.63 H new ATOM 0 HG1 THR A 5 6.587 -13.359 7.067 1.00 3.14 H new ATOM 0 HG21 THR A 5 7.797 -11.774 8.237 1.00 3.26 H new ATOM 0 HG22 THR A 5 7.035 -11.029 9.662 1.00 3.26 H new ATOM 0 HG23 THR A 5 7.477 -12.753 9.688 1.00 3.26 H new ATOM 75 N GLU A 6 4.904 -10.283 10.597 1.00 2.22 N ATOM 76 CA GLU A 6 4.389 -8.998 11.039 1.00 2.15 C ATOM 77 C GLU A 6 4.214 -7.973 9.901 1.00 1.73 C ATOM 78 O GLU A 6 3.104 -7.486 9.672 1.00 1.38 O ATOM 79 CB GLU A 6 5.295 -8.421 12.132 1.00 2.80 C ATOM 80 CG GLU A 6 5.130 -9.091 13.488 1.00 3.25 C ATOM 81 CD GLU A 6 6.041 -8.498 14.546 1.00 3.82 C ATOM 82 OE1 GLU A 6 7.179 -8.990 14.692 1.00 4.39 O ATOM 83 OE2 GLU A 6 5.615 -7.542 15.227 1.00 4.09 O ATOM 0 H GLU A 6 5.913 -10.397 10.697 1.00 2.22 H new ATOM 0 HA GLU A 6 3.391 -9.187 11.434 1.00 2.15 H new ATOM 0 HB2 GLU A 6 6.334 -8.515 11.816 1.00 2.80 H new ATOM 0 HB3 GLU A 6 5.088 -7.356 12.237 1.00 2.80 H new ATOM 0 HG2 GLU A 6 4.094 -8.997 13.812 1.00 3.25 H new ATOM 0 HG3 GLU A 6 5.338 -10.157 13.390 1.00 3.25 H new ATOM 90 N GLU A 7 5.315 -7.657 9.200 1.00 1.90 N ATOM 91 CA GLU A 7 5.304 -6.673 8.117 1.00 1.65 C ATOM 92 C GLU A 7 5.014 -7.256 6.744 1.00 1.44 C ATOM 93 O GLU A 7 4.327 -6.620 5.940 1.00 1.23 O ATOM 94 CB GLU A 7 6.621 -5.889 8.084 1.00 2.06 C ATOM 95 CG GLU A 7 6.800 -4.932 9.255 1.00 2.28 C ATOM 96 CD GLU A 7 8.168 -4.278 9.268 1.00 2.65 C ATOM 97 OE1 GLU A 7 9.061 -4.785 9.978 1.00 3.11 O ATOM 98 OE2 GLU A 7 8.346 -3.259 8.568 1.00 2.91 O ATOM 0 H GLU A 7 6.229 -8.076 9.370 1.00 1.90 H new ATOM 0 HA GLU A 7 4.474 -6.004 8.344 1.00 1.65 H new ATOM 0 HB2 GLU A 7 7.452 -6.594 8.074 1.00 2.06 H new ATOM 0 HB3 GLU A 7 6.672 -5.323 7.154 1.00 2.06 H new ATOM 0 HG2 GLU A 7 6.032 -4.160 9.209 1.00 2.28 H new ATOM 0 HG3 GLU A 7 6.651 -5.474 10.189 1.00 2.28 H new ATOM 105 N GLN A 8 5.553 -8.451 6.465 1.00 1.67 N ATOM 106 CA GLN A 8 5.363 -9.118 5.160 1.00 1.66 C ATOM 107 C GLN A 8 3.879 -9.224 4.797 1.00 1.23 C ATOM 108 O GLN A 8 3.511 -9.148 3.623 1.00 1.28 O ATOM 109 CB GLN A 8 5.997 -10.516 5.163 1.00 1.98 C ATOM 110 CG GLN A 8 7.444 -10.545 5.641 1.00 2.48 C ATOM 111 CD GLN A 8 8.171 -11.811 5.227 1.00 2.88 C ATOM 112 OE1 GLN A 8 8.035 -12.863 6.025 1.00 3.21 O flip ATOM 113 NE2 GLN A 8 8.836 -11.846 4.192 1.00 3.41 N flip ATOM 0 H GLN A 8 6.125 -8.980 7.123 1.00 1.67 H new ATOM 0 HA GLN A 8 5.859 -8.504 4.408 1.00 1.66 H new ATOM 0 HB2 GLN A 8 5.403 -11.171 5.800 1.00 1.98 H new ATOM 0 HB3 GLN A 8 5.951 -10.926 4.154 1.00 1.98 H new ATOM 0 HG2 GLN A 8 7.972 -9.680 5.240 1.00 2.48 H new ATOM 0 HG3 GLN A 8 7.466 -10.457 6.727 1.00 2.48 H new ATOM 0 HE21 GLN A 8 8.914 -11.014 3.608 1.00 3.41 H new ATOM 0 HE22 GLN A 8 9.309 -12.707 3.919 1.00 3.41 H new ATOM 122 N ILE A 9 3.046 -9.378 5.833 1.00 0.97 N ATOM 123 CA ILE A 9 1.590 -9.488 5.685 1.00 0.68 C ATOM 124 C ILE A 9 0.940 -8.114 5.668 1.00 0.57 C ATOM 125 O ILE A 9 -0.077 -7.921 5.010 1.00 0.67 O ATOM 126 CB ILE A 9 0.941 -10.337 6.825 1.00 0.76 C ATOM 127 CG1 ILE A 9 1.952 -11.339 7.432 1.00 1.22 C ATOM 128 CG2 ILE A 9 -0.332 -11.057 6.350 1.00 1.14 C ATOM 129 CD1 ILE A 9 2.599 -12.306 6.454 1.00 2.46 C ATOM 0 H ILE A 9 3.364 -9.430 6.801 1.00 0.97 H new ATOM 0 HA ILE A 9 1.417 -9.993 4.735 1.00 0.68 H new ATOM 0 HB ILE A 9 0.648 -9.641 7.611 1.00 0.76 H new ATOM 0 HG12 ILE A 9 2.740 -10.773 7.929 1.00 1.22 H new ATOM 0 HG13 ILE A 9 1.442 -11.918 8.202 1.00 1.22 H new ATOM 0 HG21 ILE A 9 -0.751 -11.636 7.173 1.00 1.14 H new ATOM 0 HG22 ILE A 9 -1.063 -10.321 6.015 1.00 1.14 H new ATOM 0 HG23 ILE A 9 -0.086 -11.725 5.525 1.00 1.14 H new ATOM 0 HD11 ILE A 9 3.288 -12.959 6.990 1.00 2.46 H new ATOM 0 HD12 ILE A 9 1.828 -12.908 5.973 1.00 2.46 H new ATOM 0 HD13 ILE A 9 3.146 -11.745 5.696 1.00 2.46 H new ATOM 141 N ALA A 10 1.559 -7.162 6.381 1.00 0.59 N ATOM 142 CA ALA A 10 1.049 -5.774 6.486 1.00 0.64 C ATOM 143 C ALA A 10 0.582 -5.172 5.165 1.00 0.58 C ATOM 144 O ALA A 10 -0.341 -4.353 5.153 1.00 0.70 O ATOM 145 CB ALA A 10 2.121 -4.849 7.010 1.00 0.80 C ATOM 0 H ALA A 10 2.422 -7.324 6.900 1.00 0.59 H new ATOM 0 HA ALA A 10 0.196 -5.855 7.159 1.00 0.64 H new ATOM 0 HB1 ALA A 10 1.725 -3.836 7.079 1.00 0.80 H new ATOM 0 HB2 ALA A 10 2.439 -5.183 7.998 1.00 0.80 H new ATOM 0 HB3 ALA A 10 2.974 -4.860 6.332 1.00 0.80 H new ATOM 151 N GLU A 11 1.208 -5.588 4.059 1.00 0.50 N ATOM 152 CA GLU A 11 0.891 -5.013 2.768 1.00 0.51 C ATOM 153 C GLU A 11 -0.246 -5.772 2.084 1.00 0.49 C ATOM 154 O GLU A 11 -1.311 -5.204 1.855 1.00 0.50 O ATOM 155 CB GLU A 11 2.134 -4.947 1.860 1.00 0.59 C ATOM 156 CG GLU A 11 1.870 -4.331 0.477 1.00 0.64 C ATOM 157 CD GLU A 11 1.591 -5.381 -0.582 1.00 0.88 C ATOM 158 OE1 GLU A 11 2.512 -6.165 -0.897 1.00 1.48 O ATOM 159 OE2 GLU A 11 0.453 -5.419 -1.096 1.00 1.48 O ATOM 0 H GLU A 11 1.926 -6.312 4.041 1.00 0.50 H new ATOM 0 HA GLU A 11 0.553 -3.992 2.943 1.00 0.51 H new ATOM 0 HB2 GLU A 11 2.907 -4.366 2.363 1.00 0.59 H new ATOM 0 HB3 GLU A 11 2.528 -5.955 1.728 1.00 0.59 H new ATOM 0 HG2 GLU A 11 1.021 -3.650 0.542 1.00 0.64 H new ATOM 0 HG3 GLU A 11 2.733 -3.737 0.177 1.00 0.64 H new ATOM 166 N PHE A 12 -0.017 -7.070 1.786 1.00 0.52 N ATOM 167 CA PHE A 12 -1.017 -7.883 1.090 1.00 0.53 C ATOM 168 C PHE A 12 -2.265 -8.107 1.938 1.00 0.49 C ATOM 169 O PHE A 12 -3.362 -8.196 1.386 1.00 0.54 O ATOM 170 CB PHE A 12 -0.428 -9.206 0.547 1.00 0.63 C ATOM 171 CG PHE A 12 0.001 -10.234 1.567 1.00 1.22 C ATOM 172 CD1 PHE A 12 1.331 -10.352 1.936 1.00 2.05 C ATOM 173 CD2 PHE A 12 -0.923 -11.106 2.123 1.00 2.14 C ATOM 174 CE1 PHE A 12 1.730 -11.319 2.840 1.00 3.03 C ATOM 175 CE2 PHE A 12 -0.530 -12.069 3.031 1.00 3.14 C ATOM 176 CZ PHE A 12 0.799 -12.177 3.389 1.00 3.44 C ATOM 0 H PHE A 12 0.844 -7.565 2.017 1.00 0.52 H new ATOM 0 HA PHE A 12 -1.332 -7.310 0.218 1.00 0.53 H new ATOM 0 HB2 PHE A 12 -1.171 -9.665 -0.105 1.00 0.63 H new ATOM 0 HB3 PHE A 12 0.435 -8.964 -0.073 1.00 0.63 H new ATOM 0 HD1 PHE A 12 2.064 -9.681 1.513 1.00 2.05 H new ATOM 0 HD2 PHE A 12 -1.963 -11.031 1.842 1.00 2.14 H new ATOM 0 HE1 PHE A 12 2.771 -11.403 3.117 1.00 3.03 H new ATOM 0 HE2 PHE A 12 -1.262 -12.737 3.461 1.00 3.14 H new ATOM 0 HZ PHE A 12 1.109 -12.931 4.097 1.00 3.44 H new ATOM 186 N LYS A 13 -2.106 -8.205 3.275 1.00 0.47 N ATOM 187 CA LYS A 13 -3.258 -8.361 4.158 1.00 0.48 C ATOM 188 C LYS A 13 -4.202 -7.198 4.070 1.00 0.48 C ATOM 189 O LYS A 13 -5.412 -7.361 3.907 1.00 0.52 O ATOM 190 CB LYS A 13 -2.853 -8.442 5.626 1.00 0.51 C ATOM 191 CG LYS A 13 -3.928 -9.060 6.487 1.00 0.57 C ATOM 192 CD LYS A 13 -4.131 -10.513 6.094 1.00 0.60 C ATOM 193 CE LYS A 13 -5.561 -10.971 6.329 1.00 0.66 C ATOM 194 NZ LYS A 13 -5.753 -12.402 5.966 1.00 1.21 N ATOM 0 H LYS A 13 -1.204 -8.178 3.750 1.00 0.47 H new ATOM 0 HA LYS A 13 -3.732 -9.284 3.825 1.00 0.48 H new ATOM 0 HB2 LYS A 13 -1.938 -9.028 5.716 1.00 0.51 H new ATOM 0 HB3 LYS A 13 -2.628 -7.441 5.994 1.00 0.51 H new ATOM 0 HG2 LYS A 13 -3.647 -8.994 7.538 1.00 0.57 H new ATOM 0 HG3 LYS A 13 -4.861 -8.509 6.371 1.00 0.57 H new ATOM 0 HD2 LYS A 13 -3.877 -10.643 5.042 1.00 0.60 H new ATOM 0 HD3 LYS A 13 -3.450 -11.142 6.667 1.00 0.60 H new ATOM 0 HE2 LYS A 13 -5.821 -10.824 7.377 1.00 0.66 H new ATOM 0 HE3 LYS A 13 -6.241 -10.353 5.742 1.00 0.66 H new ATOM 0 HZ1 LYS A 13 -6.741 -12.675 6.141 1.00 1.21 H new ATOM 0 HZ2 LYS A 13 -5.529 -12.538 4.959 1.00 1.21 H new ATOM 0 HZ3 LYS A 13 -5.123 -12.994 6.544 1.00 1.21 H new ATOM 208 N GLU A 14 -3.631 -6.031 4.235 1.00 0.47 N ATOM 209 CA GLU A 14 -4.390 -4.832 4.233 1.00 0.49 C ATOM 210 C GLU A 14 -4.878 -4.516 2.828 1.00 0.49 C ATOM 211 O GLU A 14 -5.964 -3.966 2.634 1.00 0.54 O ATOM 212 CB GLU A 14 -3.532 -3.694 4.778 1.00 0.50 C ATOM 213 CG GLU A 14 -3.522 -3.527 6.296 1.00 0.52 C ATOM 214 CD GLU A 14 -3.095 -4.778 7.052 1.00 1.25 C ATOM 215 OE1 GLU A 14 -3.978 -5.590 7.403 1.00 1.99 O ATOM 216 OE2 GLU A 14 -1.880 -4.943 7.288 1.00 1.95 O ATOM 0 H GLU A 14 -2.629 -5.899 4.373 1.00 0.47 H new ATOM 0 HA GLU A 14 -5.265 -4.955 4.871 1.00 0.49 H new ATOM 0 HB2 GLU A 14 -2.506 -3.847 4.443 1.00 0.50 H new ATOM 0 HB3 GLU A 14 -3.877 -2.761 4.333 1.00 0.50 H new ATOM 0 HG2 GLU A 14 -2.850 -2.710 6.557 1.00 0.52 H new ATOM 0 HG3 GLU A 14 -4.520 -3.238 6.626 1.00 0.52 H new ATOM 223 N ALA A 15 -4.036 -4.888 1.859 1.00 0.46 N ATOM 224 CA ALA A 15 -4.334 -4.724 0.443 1.00 0.48 C ATOM 225 C ALA A 15 -5.239 -5.843 -0.049 1.00 0.50 C ATOM 226 O ALA A 15 -5.589 -5.935 -1.231 1.00 0.55 O ATOM 227 CB ALA A 15 -3.059 -4.643 -0.388 1.00 0.50 C ATOM 0 H ALA A 15 -3.127 -5.312 2.041 1.00 0.46 H new ATOM 0 HA ALA A 15 -4.864 -3.779 0.320 1.00 0.48 H new ATOM 0 HB1 ALA A 15 -3.317 -4.521 -1.440 1.00 0.50 H new ATOM 0 HB2 ALA A 15 -2.464 -3.791 -0.059 1.00 0.50 H new ATOM 0 HB3 ALA A 15 -2.483 -5.559 -0.260 1.00 0.50 H new ATOM 233 N PHE A 16 -5.610 -6.670 0.912 1.00 0.49 N ATOM 234 CA PHE A 16 -6.503 -7.802 0.701 1.00 0.53 C ATOM 235 C PHE A 16 -7.943 -7.312 0.819 1.00 0.57 C ATOM 236 O PHE A 16 -8.756 -7.570 -0.065 1.00 0.60 O ATOM 237 CB PHE A 16 -6.227 -8.944 1.703 1.00 0.55 C ATOM 238 CG PHE A 16 -6.699 -10.294 1.235 1.00 0.56 C ATOM 239 CD1 PHE A 16 -5.862 -11.121 0.503 1.00 1.27 C ATOM 240 CD2 PHE A 16 -7.980 -10.734 1.527 1.00 1.27 C ATOM 241 CE1 PHE A 16 -6.293 -12.361 0.071 1.00 1.31 C ATOM 242 CE2 PHE A 16 -8.417 -11.973 1.099 1.00 1.27 C ATOM 243 CZ PHE A 16 -7.572 -12.788 0.370 1.00 0.62 C ATOM 0 H PHE A 16 -5.296 -6.575 1.878 1.00 0.49 H new ATOM 0 HA PHE A 16 -6.329 -8.211 -0.294 1.00 0.53 H new ATOM 0 HB2 PHE A 16 -5.156 -8.992 1.898 1.00 0.55 H new ATOM 0 HB3 PHE A 16 -6.713 -8.708 2.650 1.00 0.55 H new ATOM 0 HD1 PHE A 16 -4.861 -10.792 0.267 1.00 1.27 H new ATOM 0 HD2 PHE A 16 -8.645 -10.101 2.096 1.00 1.27 H new ATOM 0 HE1 PHE A 16 -5.631 -12.995 -0.500 1.00 1.31 H new ATOM 0 HE2 PHE A 16 -9.418 -12.304 1.334 1.00 1.27 H new ATOM 0 HZ PHE A 16 -7.911 -13.757 0.035 1.00 0.62 H new ATOM 253 N SER A 17 -8.241 -6.584 1.918 1.00 0.61 N ATOM 254 CA SER A 17 -9.590 -6.046 2.140 1.00 0.67 C ATOM 255 C SER A 17 -9.790 -4.689 1.446 1.00 0.74 C ATOM 256 O SER A 17 -10.926 -4.260 1.225 1.00 0.78 O ATOM 257 CB SER A 17 -9.881 -5.929 3.640 1.00 0.74 C ATOM 258 OG SER A 17 -11.248 -5.635 3.879 1.00 1.41 O ATOM 0 H SER A 17 -7.571 -6.361 2.654 1.00 0.61 H new ATOM 0 HA SER A 17 -10.297 -6.747 1.695 1.00 0.67 H new ATOM 0 HB2 SER A 17 -9.615 -6.861 4.138 1.00 0.74 H new ATOM 0 HB3 SER A 17 -9.258 -5.147 4.074 1.00 0.74 H new ATOM 0 HG SER A 17 -11.404 -5.568 4.844 1.00 1.41 H new ATOM 264 N LEU A 18 -8.673 -4.031 1.113 1.00 0.79 N ATOM 265 CA LEU A 18 -8.675 -2.722 0.429 1.00 0.91 C ATOM 266 C LEU A 18 -9.019 -2.910 -1.065 1.00 0.81 C ATOM 267 O LEU A 18 -9.352 -1.956 -1.772 1.00 0.79 O ATOM 268 CB LEU A 18 -7.299 -2.012 0.723 1.00 1.26 C ATOM 269 CG LEU A 18 -6.394 -1.425 -0.412 1.00 0.69 C ATOM 270 CD1 LEU A 18 -6.010 -2.449 -1.467 1.00 1.59 C ATOM 271 CD2 LEU A 18 -7.004 -0.198 -1.068 1.00 0.83 C ATOM 0 H LEU A 18 -7.738 -4.388 1.309 1.00 0.79 H new ATOM 0 HA LEU A 18 -9.452 -2.058 0.808 1.00 0.91 H new ATOM 0 HB2 LEU A 18 -7.512 -1.191 1.407 1.00 1.26 H new ATOM 0 HB3 LEU A 18 -6.688 -2.731 1.268 1.00 1.26 H new ATOM 0 HG LEU A 18 -5.478 -1.121 0.094 1.00 0.69 H new ATOM 0 HD11 LEU A 18 -5.383 -1.975 -2.223 1.00 1.59 H new ATOM 0 HD12 LEU A 18 -5.460 -3.265 -0.999 1.00 1.59 H new ATOM 0 HD13 LEU A 18 -6.911 -2.842 -1.937 1.00 1.59 H new ATOM 0 HD21 LEU A 18 -6.336 0.168 -1.847 1.00 0.83 H new ATOM 0 HD22 LEU A 18 -7.966 -0.461 -1.509 1.00 0.83 H new ATOM 0 HD23 LEU A 18 -7.149 0.581 -0.319 1.00 0.83 H new ATOM 283 N PHE A 19 -8.940 -4.172 -1.499 1.00 0.84 N ATOM 284 CA PHE A 19 -9.239 -4.585 -2.869 1.00 0.86 C ATOM 285 C PHE A 19 -10.526 -5.401 -2.922 1.00 0.75 C ATOM 286 O PHE A 19 -11.344 -5.250 -3.832 1.00 0.79 O ATOM 287 CB PHE A 19 -8.133 -5.498 -3.380 1.00 1.02 C ATOM 288 CG PHE A 19 -7.361 -4.968 -4.549 1.00 0.85 C ATOM 289 CD1 PHE A 19 -7.788 -5.207 -5.842 1.00 1.41 C ATOM 290 CD2 PHE A 19 -6.197 -4.246 -4.354 1.00 1.53 C ATOM 291 CE1 PHE A 19 -7.069 -4.734 -6.920 1.00 1.60 C ATOM 292 CE2 PHE A 19 -5.475 -3.766 -5.426 1.00 1.64 C ATOM 293 CZ PHE A 19 -5.910 -4.010 -6.712 1.00 1.28 C ATOM 0 H PHE A 19 -8.662 -4.946 -0.896 1.00 0.84 H new ATOM 0 HA PHE A 19 -9.331 -3.681 -3.470 1.00 0.86 H new ATOM 0 HB2 PHE A 19 -7.438 -5.693 -2.563 1.00 1.02 H new ATOM 0 HB3 PHE A 19 -8.573 -6.455 -3.659 1.00 1.02 H new ATOM 0 HD1 PHE A 19 -8.694 -5.770 -6.010 1.00 1.41 H new ATOM 0 HD2 PHE A 19 -5.850 -4.056 -3.349 1.00 1.53 H new ATOM 0 HE1 PHE A 19 -7.411 -4.929 -7.926 1.00 1.60 H new ATOM 0 HE2 PHE A 19 -4.570 -3.200 -5.259 1.00 1.64 H new ATOM 0 HZ PHE A 19 -5.347 -3.636 -7.554 1.00 1.28 H new ATOM 303 N ASP A 20 -10.679 -6.273 -1.923 1.00 0.68 N ATOM 304 CA ASP A 20 -11.796 -7.197 -1.843 1.00 0.63 C ATOM 305 C ASP A 20 -13.130 -6.520 -1.432 1.00 0.66 C ATOM 306 O ASP A 20 -13.379 -6.266 -0.248 1.00 0.74 O ATOM 307 CB ASP A 20 -11.382 -8.402 -0.937 1.00 0.60 C ATOM 308 CG ASP A 20 -12.077 -8.501 0.422 1.00 1.67 C ATOM 309 OD1 ASP A 20 -13.297 -8.761 0.457 1.00 2.45 O ATOM 310 OD2 ASP A 20 -11.390 -8.326 1.450 1.00 2.31 O ATOM 0 H ASP A 20 -10.024 -6.353 -1.146 1.00 0.68 H new ATOM 0 HA ASP A 20 -12.016 -7.579 -2.840 1.00 0.63 H new ATOM 0 HB2 ASP A 20 -11.573 -9.324 -1.486 1.00 0.60 H new ATOM 0 HB3 ASP A 20 -10.307 -8.349 -0.768 1.00 0.60 H new ATOM 315 N LYS A 21 -13.953 -6.163 -2.439 1.00 0.73 N ATOM 316 CA LYS A 21 -15.287 -5.585 -2.186 1.00 0.80 C ATOM 317 C LYS A 21 -16.239 -6.716 -1.856 1.00 0.82 C ATOM 318 O LYS A 21 -16.911 -6.728 -0.821 1.00 0.91 O ATOM 319 CB LYS A 21 -15.835 -4.871 -3.404 1.00 1.01 C ATOM 320 CG LYS A 21 -15.273 -3.505 -3.641 1.00 0.97 C ATOM 321 CD LYS A 21 -14.366 -3.568 -4.830 1.00 0.95 C ATOM 322 CE LYS A 21 -14.178 -2.193 -5.459 1.00 1.05 C ATOM 323 NZ LYS A 21 -15.040 -2.007 -6.659 1.00 1.63 N ATOM 0 H LYS A 21 -13.719 -6.264 -3.427 1.00 0.73 H new ATOM 0 HA LYS A 21 -15.194 -4.868 -1.371 1.00 0.80 H new ATOM 0 HB2 LYS A 21 -15.642 -5.485 -4.284 1.00 1.01 H new ATOM 0 HB3 LYS A 21 -16.917 -4.790 -3.303 1.00 1.01 H new ATOM 0 HG2 LYS A 21 -16.076 -2.789 -3.814 1.00 0.97 H new ATOM 0 HG3 LYS A 21 -14.725 -3.163 -2.763 1.00 0.97 H new ATOM 0 HD2 LYS A 21 -13.397 -3.968 -4.530 1.00 0.95 H new ATOM 0 HD3 LYS A 21 -14.779 -4.254 -5.569 1.00 0.95 H new ATOM 0 HE2 LYS A 21 -14.409 -1.423 -4.723 1.00 1.05 H new ATOM 0 HE3 LYS A 21 -13.133 -2.062 -5.739 1.00 1.05 H new ATOM 0 HZ1 LYS A 21 -14.443 -1.940 -7.508 1.00 1.63 H new ATOM 0 HZ2 LYS A 21 -15.685 -2.818 -6.752 1.00 1.63 H new ATOM 0 HZ3 LYS A 21 -15.595 -1.134 -6.556 1.00 1.63 H new ATOM 337 N ASP A 22 -16.259 -7.662 -2.794 1.00 0.85 N ATOM 338 CA ASP A 22 -17.054 -8.889 -2.688 1.00 0.97 C ATOM 339 C ASP A 22 -16.309 -9.887 -1.790 1.00 0.88 C ATOM 340 O ASP A 22 -16.898 -10.479 -0.881 1.00 1.02 O ATOM 341 CB ASP A 22 -17.307 -9.480 -4.083 1.00 1.12 C ATOM 342 CG ASP A 22 -18.480 -10.446 -4.114 1.00 1.36 C ATOM 343 OD1 ASP A 22 -19.603 -10.006 -4.441 1.00 2.09 O ATOM 344 OD2 ASP A 22 -18.275 -11.639 -3.809 1.00 1.48 O ATOM 0 H ASP A 22 -15.720 -7.600 -3.657 1.00 0.85 H new ATOM 0 HA ASP A 22 -18.024 -8.667 -2.243 1.00 0.97 H new ATOM 0 HB2 ASP A 22 -17.493 -8.669 -4.787 1.00 1.12 H new ATOM 0 HB3 ASP A 22 -16.409 -9.997 -4.421 1.00 1.12 H new ATOM 349 N GLY A 23 -15.002 -10.056 -2.069 1.00 0.75 N ATOM 350 CA GLY A 23 -14.139 -10.917 -1.270 1.00 0.75 C ATOM 351 C GLY A 23 -14.473 -12.390 -1.257 1.00 0.85 C ATOM 352 O GLY A 23 -14.650 -12.982 -0.189 1.00 1.01 O ATOM 0 H GLY A 23 -14.528 -9.600 -2.849 1.00 0.75 H new ATOM 0 HA2 GLY A 23 -13.117 -10.803 -1.631 1.00 0.75 H new ATOM 0 HA3 GLY A 23 -14.156 -10.555 -0.242 1.00 0.75 H new ATOM 356 N ASP A 24 -14.560 -12.976 -2.449 1.00 0.82 N ATOM 357 CA ASP A 24 -14.784 -14.420 -2.615 1.00 0.95 C ATOM 358 C ASP A 24 -13.518 -15.162 -2.180 1.00 0.87 C ATOM 359 O ASP A 24 -13.424 -16.394 -2.191 1.00 0.96 O ATOM 360 CB ASP A 24 -14.991 -14.682 -4.083 1.00 1.00 C ATOM 361 CG ASP A 24 -16.451 -14.696 -4.490 1.00 1.41 C ATOM 362 OD1 ASP A 24 -17.092 -15.761 -4.365 1.00 1.96 O ATOM 363 OD2 ASP A 24 -16.954 -13.643 -4.935 1.00 1.93 O ATOM 0 H ASP A 24 -14.478 -12.468 -3.330 1.00 0.82 H new ATOM 0 HA ASP A 24 -15.641 -14.749 -2.027 1.00 0.95 H new ATOM 0 HB2 ASP A 24 -14.468 -13.918 -4.658 1.00 1.00 H new ATOM 0 HB3 ASP A 24 -14.540 -15.640 -4.341 1.00 1.00 H new ATOM 368 N GLY A 25 -12.577 -14.325 -1.787 1.00 0.74 N ATOM 369 CA GLY A 25 -11.254 -14.718 -1.352 1.00 0.72 C ATOM 370 C GLY A 25 -10.245 -14.305 -2.394 1.00 0.65 C ATOM 371 O GLY A 25 -9.032 -14.419 -2.195 1.00 0.69 O ATOM 0 H GLY A 25 -12.720 -13.315 -1.762 1.00 0.74 H new ATOM 0 HA2 GLY A 25 -11.019 -14.250 -0.396 1.00 0.72 H new ATOM 0 HA3 GLY A 25 -11.214 -15.796 -1.198 1.00 0.72 H new ATOM 375 N THR A 26 -10.788 -13.823 -3.515 1.00 0.62 N ATOM 376 CA THR A 26 -10.007 -13.338 -4.635 1.00 0.58 C ATOM 377 C THR A 26 -10.204 -11.840 -4.887 1.00 0.57 C ATOM 378 O THR A 26 -10.983 -11.167 -4.205 1.00 0.64 O ATOM 379 CB THR A 26 -10.400 -14.079 -5.914 1.00 0.60 C ATOM 380 OG1 THR A 26 -11.829 -14.109 -6.047 1.00 0.63 O ATOM 381 CG2 THR A 26 -9.861 -15.495 -5.905 1.00 0.64 C ATOM 0 H THR A 26 -11.795 -13.762 -3.663 1.00 0.62 H new ATOM 0 HA THR A 26 -8.963 -13.517 -4.378 1.00 0.58 H new ATOM 0 HB THR A 26 -9.967 -13.547 -6.761 1.00 0.60 H new ATOM 0 HG1 THR A 26 -12.096 -14.919 -6.530 1.00 0.63 H new ATOM 0 HG21 THR A 26 -10.154 -16.002 -6.825 1.00 0.64 H new ATOM 0 HG22 THR A 26 -8.774 -15.470 -5.835 1.00 0.64 H new ATOM 0 HG23 THR A 26 -10.268 -16.034 -5.049 1.00 0.64 H new ATOM 389 N ILE A 27 -9.469 -11.354 -5.888 1.00 0.54 N ATOM 390 CA ILE A 27 -9.490 -9.991 -6.336 1.00 0.53 C ATOM 391 C ILE A 27 -10.056 -9.902 -7.706 1.00 0.53 C ATOM 392 O ILE A 27 -9.619 -10.588 -8.614 1.00 0.51 O ATOM 393 CB ILE A 27 -8.085 -9.415 -6.308 1.00 0.49 C ATOM 394 CG1 ILE A 27 -7.863 -8.922 -4.911 1.00 0.52 C ATOM 395 CG2 ILE A 27 -7.854 -8.299 -7.333 1.00 0.47 C ATOM 396 CD1 ILE A 27 -6.813 -9.696 -4.146 1.00 0.54 C ATOM 0 H ILE A 27 -8.822 -11.936 -6.420 1.00 0.54 H new ATOM 0 HA ILE A 27 -10.124 -9.412 -5.665 1.00 0.53 H new ATOM 0 HB ILE A 27 -7.370 -10.189 -6.588 1.00 0.49 H new ATOM 0 HG12 ILE A 27 -7.571 -7.873 -4.949 1.00 0.52 H new ATOM 0 HG13 ILE A 27 -8.805 -8.971 -4.365 1.00 0.52 H new ATOM 0 HG21 ILE A 27 -6.829 -7.938 -7.253 1.00 0.47 H new ATOM 0 HG22 ILE A 27 -8.025 -8.686 -8.337 1.00 0.47 H new ATOM 0 HG23 ILE A 27 -8.544 -7.478 -7.139 1.00 0.47 H new ATOM 0 HD11 ILE A 27 -6.711 -9.278 -3.144 1.00 0.54 H new ATOM 0 HD12 ILE A 27 -7.112 -10.742 -4.074 1.00 0.54 H new ATOM 0 HD13 ILE A 27 -5.858 -9.627 -4.667 1.00 0.54 H new ATOM 408 N THR A 28 -10.975 -8.999 -7.849 1.00 0.59 N ATOM 409 CA THR A 28 -11.634 -8.816 -9.118 1.00 0.61 C ATOM 410 C THR A 28 -11.214 -7.525 -9.770 1.00 0.58 C ATOM 411 O THR A 28 -10.606 -6.641 -9.158 1.00 0.57 O ATOM 412 CB THR A 28 -13.159 -8.849 -8.966 1.00 0.69 C ATOM 413 OG1 THR A 28 -13.541 -9.574 -7.788 1.00 0.75 O ATOM 414 CG2 THR A 28 -13.849 -9.463 -10.184 1.00 0.73 C ATOM 0 H THR A 28 -11.291 -8.374 -7.107 1.00 0.59 H new ATOM 0 HA THR A 28 -11.331 -9.645 -9.757 1.00 0.61 H new ATOM 0 HB THR A 28 -13.484 -7.812 -8.878 1.00 0.69 H new ATOM 0 HG1 THR A 28 -14.518 -9.636 -7.744 1.00 0.75 H new ATOM 0 HG21 THR A 28 -14.928 -9.464 -10.029 1.00 0.73 H new ATOM 0 HG22 THR A 28 -13.611 -8.877 -11.071 1.00 0.73 H new ATOM 0 HG23 THR A 28 -13.501 -10.487 -10.322 1.00 0.73 H new ATOM 422 N THR A 29 -11.570 -7.462 -11.033 1.00 0.58 N ATOM 423 CA THR A 29 -11.274 -6.343 -11.907 1.00 0.57 C ATOM 424 C THR A 29 -11.993 -5.059 -11.457 1.00 0.62 C ATOM 425 O THR A 29 -11.395 -3.991 -11.493 1.00 0.64 O ATOM 426 CB THR A 29 -11.604 -6.672 -13.402 1.00 0.58 C ATOM 427 OG1 THR A 29 -12.806 -6.016 -13.830 1.00 0.66 O ATOM 428 CG2 THR A 29 -11.754 -8.165 -13.654 1.00 0.59 C ATOM 0 H THR A 29 -12.089 -8.208 -11.497 1.00 0.58 H new ATOM 0 HA THR A 29 -10.201 -6.164 -11.834 1.00 0.57 H new ATOM 0 HB THR A 29 -10.754 -6.304 -13.977 1.00 0.58 H new ATOM 0 HG1 THR A 29 -13.398 -6.667 -14.262 1.00 0.66 H new ATOM 0 HG21 THR A 29 -11.982 -8.335 -14.706 1.00 0.59 H new ATOM 0 HG22 THR A 29 -10.824 -8.672 -13.398 1.00 0.59 H new ATOM 0 HG23 THR A 29 -12.563 -8.558 -13.039 1.00 0.59 H new ATOM 436 N LYS A 30 -13.245 -5.177 -10.955 1.00 0.77 N ATOM 437 CA LYS A 30 -14.038 -4.003 -10.513 1.00 0.85 C ATOM 438 C LYS A 30 -13.227 -3.032 -9.647 1.00 0.84 C ATOM 439 O LYS A 30 -13.393 -1.817 -9.745 1.00 0.93 O ATOM 440 CB LYS A 30 -15.300 -4.435 -9.727 1.00 1.01 C ATOM 441 CG LYS A 30 -15.187 -5.729 -8.900 1.00 1.06 C ATOM 442 CD LYS A 30 -14.150 -5.665 -7.787 1.00 1.10 C ATOM 443 CE LYS A 30 -14.490 -6.624 -6.654 1.00 1.16 C ATOM 444 NZ LYS A 30 -13.490 -6.562 -5.552 1.00 1.66 N ATOM 0 H LYS A 30 -13.727 -6.069 -10.846 1.00 0.77 H new ATOM 0 HA LYS A 30 -14.331 -3.487 -11.428 1.00 0.85 H new ATOM 0 HB2 LYS A 30 -15.577 -3.623 -9.054 1.00 1.01 H new ATOM 0 HB3 LYS A 30 -16.119 -4.554 -10.436 1.00 1.01 H new ATOM 0 HG2 LYS A 30 -16.160 -5.955 -8.463 1.00 1.06 H new ATOM 0 HG3 LYS A 30 -14.938 -6.554 -9.568 1.00 1.06 H new ATOM 0 HD2 LYS A 30 -13.167 -5.909 -8.189 1.00 1.10 H new ATOM 0 HD3 LYS A 30 -14.092 -4.648 -7.400 1.00 1.10 H new ATOM 0 HE2 LYS A 30 -15.478 -6.385 -6.261 1.00 1.16 H new ATOM 0 HE3 LYS A 30 -14.539 -7.641 -7.042 1.00 1.16 H new ATOM 0 HZ1 LYS A 30 -13.947 -6.820 -4.654 1.00 1.66 H new ATOM 0 HZ2 LYS A 30 -12.714 -7.226 -5.749 1.00 1.66 H new ATOM 0 HZ3 LYS A 30 -13.110 -5.597 -5.482 1.00 1.66 H new ATOM 458 N GLU A 31 -12.357 -3.598 -8.809 1.00 0.82 N ATOM 459 CA GLU A 31 -11.514 -2.844 -7.908 1.00 0.87 C ATOM 460 C GLU A 31 -10.198 -2.430 -8.550 1.00 0.78 C ATOM 461 O GLU A 31 -9.819 -1.269 -8.462 1.00 0.81 O ATOM 462 CB GLU A 31 -11.264 -3.665 -6.643 1.00 1.02 C ATOM 463 CG GLU A 31 -10.559 -2.946 -5.480 1.00 1.82 C ATOM 464 CD GLU A 31 -10.997 -1.506 -5.228 1.00 2.69 C ATOM 465 OE1 GLU A 31 -10.729 -0.639 -6.086 1.00 3.34 O ATOM 466 OE2 GLU A 31 -11.599 -1.249 -4.164 1.00 3.27 O ATOM 0 H GLU A 31 -12.224 -4.607 -8.744 1.00 0.82 H new ATOM 0 HA GLU A 31 -12.036 -1.922 -7.653 1.00 0.87 H new ATOM 0 HB2 GLU A 31 -12.224 -4.035 -6.282 1.00 1.02 H new ATOM 0 HB3 GLU A 31 -10.668 -4.536 -6.915 1.00 1.02 H new ATOM 0 HG2 GLU A 31 -10.724 -3.521 -4.569 1.00 1.82 H new ATOM 0 HG3 GLU A 31 -9.486 -2.952 -5.671 1.00 1.82 H new ATOM 473 N LEU A 32 -9.533 -3.382 -9.222 1.00 0.68 N ATOM 474 CA LEU A 32 -8.219 -3.162 -9.850 1.00 0.60 C ATOM 475 C LEU A 32 -8.129 -1.859 -10.633 1.00 0.66 C ATOM 476 O LEU A 32 -7.095 -1.203 -10.576 1.00 0.72 O ATOM 477 CB LEU A 32 -7.854 -4.386 -10.719 1.00 0.54 C ATOM 478 CG LEU A 32 -6.427 -4.457 -11.323 1.00 0.46 C ATOM 479 CD1 LEU A 32 -5.334 -4.079 -10.325 1.00 0.49 C ATOM 480 CD2 LEU A 32 -6.165 -5.851 -11.847 1.00 0.44 C ATOM 0 H LEU A 32 -9.891 -4.329 -9.346 1.00 0.68 H new ATOM 0 HA LEU A 32 -7.486 -3.056 -9.051 1.00 0.60 H new ATOM 0 HB2 LEU A 32 -8.004 -5.280 -10.114 1.00 0.54 H new ATOM 0 HB3 LEU A 32 -8.567 -4.434 -11.542 1.00 0.54 H new ATOM 0 HG LEU A 32 -6.391 -3.727 -12.132 1.00 0.46 H new ATOM 0 HD11 LEU A 32 -4.360 -4.149 -10.809 1.00 0.49 H new ATOM 0 HD12 LEU A 32 -5.495 -3.058 -9.978 1.00 0.49 H new ATOM 0 HD13 LEU A 32 -5.366 -4.760 -9.475 1.00 0.49 H new ATOM 0 HD21 LEU A 32 -5.162 -5.898 -12.271 1.00 0.44 H new ATOM 0 HD22 LEU A 32 -6.248 -6.568 -11.030 1.00 0.44 H new ATOM 0 HD23 LEU A 32 -6.896 -6.093 -12.618 1.00 0.44 H new ATOM 492 N GLY A 33 -9.201 -1.484 -11.331 1.00 0.71 N ATOM 493 CA GLY A 33 -9.200 -0.226 -12.068 1.00 0.80 C ATOM 494 C GLY A 33 -9.547 0.948 -11.188 1.00 0.83 C ATOM 495 O GLY A 33 -9.054 2.059 -11.389 1.00 0.91 O ATOM 0 H GLY A 33 -10.064 -2.023 -11.400 1.00 0.71 H new ATOM 0 HA2 GLY A 33 -8.217 -0.067 -12.512 1.00 0.80 H new ATOM 0 HA3 GLY A 33 -9.915 -0.287 -12.889 1.00 0.80 H new ATOM 499 N THR A 34 -10.403 0.683 -10.215 1.00 0.80 N ATOM 500 CA THR A 34 -10.800 1.669 -9.211 1.00 0.84 C ATOM 501 C THR A 34 -9.610 1.958 -8.286 1.00 0.83 C ATOM 502 O THR A 34 -9.555 2.999 -7.625 1.00 0.88 O ATOM 503 CB THR A 34 -11.949 1.115 -8.357 1.00 0.87 C ATOM 504 OG1 THR A 34 -12.985 0.609 -9.204 1.00 0.89 O ATOM 505 CG2 THR A 34 -12.543 2.168 -7.419 1.00 0.96 C ATOM 0 H THR A 34 -10.848 -0.227 -10.095 1.00 0.80 H new ATOM 0 HA THR A 34 -11.121 2.579 -9.718 1.00 0.84 H new ATOM 0 HB THR A 34 -11.532 0.317 -7.743 1.00 0.87 H new ATOM 0 HG1 THR A 34 -12.796 -0.326 -9.430 1.00 0.89 H new ATOM 0 HG21 THR A 34 -13.351 1.724 -6.838 1.00 0.96 H new ATOM 0 HG22 THR A 34 -11.769 2.532 -6.744 1.00 0.96 H new ATOM 0 HG23 THR A 34 -12.933 3.000 -8.006 1.00 0.96 H new ATOM 513 N VAL A 35 -8.665 1.005 -8.265 1.00 0.77 N ATOM 514 CA VAL A 35 -7.456 1.102 -7.429 1.00 0.79 C ATOM 515 C VAL A 35 -6.439 2.034 -8.096 1.00 0.80 C ATOM 516 O VAL A 35 -6.070 3.084 -7.567 1.00 0.86 O ATOM 517 CB VAL A 35 -6.812 -0.305 -7.234 1.00 0.76 C ATOM 518 CG1 VAL A 35 -5.475 -0.239 -6.492 1.00 0.80 C ATOM 519 CG2 VAL A 35 -7.756 -1.226 -6.498 1.00 0.79 C ATOM 0 H VAL A 35 -8.715 0.152 -8.822 1.00 0.77 H new ATOM 0 HA VAL A 35 -7.740 1.501 -6.455 1.00 0.79 H new ATOM 0 HB VAL A 35 -6.618 -0.700 -8.231 1.00 0.76 H new ATOM 0 HG11 VAL A 35 -5.069 -1.245 -6.383 1.00 0.80 H new ATOM 0 HG12 VAL A 35 -4.775 0.375 -7.058 1.00 0.80 H new ATOM 0 HG13 VAL A 35 -5.627 0.200 -5.506 1.00 0.80 H new ATOM 0 HG21 VAL A 35 -7.288 -2.202 -6.372 1.00 0.79 H new ATOM 0 HG22 VAL A 35 -7.986 -0.805 -5.519 1.00 0.79 H new ATOM 0 HG23 VAL A 35 -8.677 -1.336 -7.071 1.00 0.79 H new ATOM 529 N MET A 36 -6.012 1.588 -9.269 1.00 0.77 N ATOM 530 CA MET A 36 -5.041 2.283 -10.142 1.00 0.81 C ATOM 531 C MET A 36 -5.418 3.724 -10.457 1.00 0.80 C ATOM 532 O MET A 36 -4.586 4.625 -10.403 1.00 0.87 O ATOM 533 CB MET A 36 -4.973 1.577 -11.501 1.00 0.87 C ATOM 534 CG MET A 36 -6.282 0.975 -11.916 1.00 0.86 C ATOM 535 SD MET A 36 -6.199 0.059 -13.475 1.00 1.10 S ATOM 536 CE MET A 36 -5.276 -1.403 -13.000 1.00 1.82 C ATOM 0 H MET A 36 -6.335 0.705 -9.664 1.00 0.77 H new ATOM 0 HA MET A 36 -4.100 2.265 -9.591 1.00 0.81 H new ATOM 0 HB2 MET A 36 -4.651 2.291 -12.259 1.00 0.87 H new ATOM 0 HB3 MET A 36 -4.216 0.794 -11.460 1.00 0.87 H new ATOM 0 HG2 MET A 36 -6.630 0.305 -11.129 1.00 0.86 H new ATOM 0 HG3 MET A 36 -7.023 1.768 -12.010 1.00 0.86 H new ATOM 0 HE1 MET A 36 -5.657 -2.267 -13.545 1.00 1.82 H new ATOM 0 HE2 MET A 36 -4.222 -1.261 -13.237 1.00 1.82 H new ATOM 0 HE3 MET A 36 -5.387 -1.571 -11.929 1.00 1.82 H new ATOM 546 N ARG A 37 -6.690 3.911 -10.802 1.00 0.79 N ATOM 547 CA ARG A 37 -7.205 5.195 -11.242 1.00 0.85 C ATOM 548 C ARG A 37 -6.899 6.372 -10.305 1.00 0.94 C ATOM 549 O ARG A 37 -6.733 7.510 -10.754 1.00 1.01 O ATOM 550 CB ARG A 37 -8.711 5.111 -11.445 1.00 0.96 C ATOM 551 CG ARG A 37 -9.118 4.697 -12.849 1.00 1.49 C ATOM 552 CD ARG A 37 -10.628 4.566 -12.976 1.00 1.68 C ATOM 553 NE ARG A 37 -11.035 4.192 -14.335 1.00 2.53 N ATOM 554 CZ ARG A 37 -12.305 4.110 -14.757 1.00 2.93 C ATOM 555 NH1 ARG A 37 -13.322 4.372 -13.937 1.00 2.47 N ATOM 556 NH2 ARG A 37 -12.557 3.762 -16.011 1.00 3.94 N ATOM 0 H ARG A 37 -7.391 3.170 -10.782 1.00 0.79 H new ATOM 0 HA ARG A 37 -6.683 5.402 -12.176 1.00 0.85 H new ATOM 0 HB2 ARG A 37 -9.125 4.399 -10.732 1.00 0.96 H new ATOM 0 HB3 ARG A 37 -9.153 6.081 -11.220 1.00 0.96 H new ATOM 0 HG2 ARG A 37 -8.754 5.433 -13.566 1.00 1.49 H new ATOM 0 HG3 ARG A 37 -8.647 3.747 -13.100 1.00 1.49 H new ATOM 0 HD2 ARG A 37 -10.987 3.817 -12.271 1.00 1.68 H new ATOM 0 HD3 ARG A 37 -11.098 5.511 -12.704 1.00 1.68 H new ATOM 0 HE ARG A 37 -10.298 3.979 -15.008 1.00 2.53 H new ATOM 0 HH11 ARG A 37 -13.141 4.640 -12.970 1.00 2.47 H new ATOM 0 HH12 ARG A 37 -14.281 4.304 -14.277 1.00 2.47 H new ATOM 0 HH21 ARG A 37 -11.787 3.559 -16.648 1.00 3.94 H new ATOM 0 HH22 ARG A 37 -13.521 3.698 -16.339 1.00 3.94 H new ATOM 570 N SER A 38 -6.830 6.070 -9.016 1.00 1.00 N ATOM 571 CA SER A 38 -6.596 7.079 -7.966 1.00 1.16 C ATOM 572 C SER A 38 -5.158 7.617 -7.881 1.00 1.17 C ATOM 573 O SER A 38 -4.945 8.681 -7.291 1.00 1.33 O ATOM 574 CB SER A 38 -7.022 6.525 -6.604 1.00 1.37 C ATOM 575 OG SER A 38 -6.283 5.365 -6.261 1.00 1.82 O ATOM 0 H SER A 38 -6.933 5.121 -8.658 1.00 1.00 H new ATOM 0 HA SER A 38 -7.208 7.934 -8.252 1.00 1.16 H new ATOM 0 HB2 SER A 38 -6.879 7.288 -5.839 1.00 1.37 H new ATOM 0 HB3 SER A 38 -8.086 6.288 -6.623 1.00 1.37 H new ATOM 0 HG SER A 38 -6.587 4.610 -6.807 1.00 1.82 H new ATOM 581 N LEU A 39 -4.183 6.907 -8.455 1.00 1.11 N ATOM 582 CA LEU A 39 -2.794 7.344 -8.406 1.00 1.26 C ATOM 583 C LEU A 39 -2.392 8.209 -9.612 1.00 1.23 C ATOM 584 O LEU A 39 -1.337 8.851 -9.585 1.00 1.39 O ATOM 585 CB LEU A 39 -1.842 6.140 -8.238 1.00 1.42 C ATOM 586 CG LEU A 39 -2.077 4.910 -9.137 1.00 1.43 C ATOM 587 CD1 LEU A 39 -1.648 5.176 -10.570 1.00 1.18 C ATOM 588 CD2 LEU A 39 -1.344 3.697 -8.584 1.00 2.07 C ATOM 0 H LEU A 39 -4.333 6.031 -8.956 1.00 1.11 H new ATOM 0 HA LEU A 39 -2.701 7.984 -7.529 1.00 1.26 H new ATOM 0 HB2 LEU A 39 -0.824 6.491 -8.409 1.00 1.42 H new ATOM 0 HB3 LEU A 39 -1.896 5.812 -7.200 1.00 1.42 H new ATOM 0 HG LEU A 39 -3.148 4.705 -9.141 1.00 1.43 H new ATOM 0 HD11 LEU A 39 -1.828 4.287 -11.175 1.00 1.18 H new ATOM 0 HD12 LEU A 39 -2.221 6.011 -10.972 1.00 1.18 H new ATOM 0 HD13 LEU A 39 -0.586 5.421 -10.592 1.00 1.18 H new ATOM 0 HD21 LEU A 39 -1.521 2.838 -9.231 1.00 2.07 H new ATOM 0 HD22 LEU A 39 -0.275 3.906 -8.543 1.00 2.07 H new ATOM 0 HD23 LEU A 39 -1.710 3.477 -7.581 1.00 2.07 H new ATOM 600 N GLY A 40 -3.232 8.224 -10.658 1.00 1.12 N ATOM 601 CA GLY A 40 -2.945 9.027 -11.843 1.00 1.21 C ATOM 602 C GLY A 40 -2.563 8.214 -13.065 1.00 1.24 C ATOM 603 O GLY A 40 -1.767 8.667 -13.893 1.00 1.48 O ATOM 0 H GLY A 40 -4.103 7.695 -10.703 1.00 1.12 H new ATOM 0 HA2 GLY A 40 -3.821 9.630 -12.081 1.00 1.21 H new ATOM 0 HA3 GLY A 40 -2.135 9.719 -11.612 1.00 1.21 H new ATOM 607 N GLN A 41 -3.132 7.019 -13.168 1.00 1.05 N ATOM 608 CA GLN A 41 -2.880 6.119 -14.300 1.00 1.08 C ATOM 609 C GLN A 41 -3.961 6.282 -15.374 1.00 1.03 C ATOM 610 O GLN A 41 -4.959 6.975 -15.153 1.00 1.04 O ATOM 611 CB GLN A 41 -2.831 4.664 -13.818 1.00 1.08 C ATOM 612 CG GLN A 41 -1.439 4.053 -13.868 1.00 1.30 C ATOM 613 CD GLN A 41 -1.405 2.635 -13.332 1.00 2.18 C ATOM 614 OE1 GLN A 41 -1.192 2.415 -12.140 1.00 2.69 O ATOM 615 NE2 GLN A 41 -1.616 1.664 -14.213 1.00 3.01 N ATOM 0 H GLN A 41 -3.779 6.643 -12.475 1.00 1.05 H new ATOM 0 HA GLN A 41 -1.917 6.380 -14.738 1.00 1.08 H new ATOM 0 HB2 GLN A 41 -3.203 4.616 -12.795 1.00 1.08 H new ATOM 0 HB3 GLN A 41 -3.504 4.064 -14.430 1.00 1.08 H new ATOM 0 HG2 GLN A 41 -1.081 4.057 -14.898 1.00 1.30 H new ATOM 0 HG3 GLN A 41 -0.753 4.673 -13.290 1.00 1.30 H new ATOM 0 HE21 GLN A 41 -1.789 1.892 -15.192 1.00 3.01 H new ATOM 0 HE22 GLN A 41 -1.605 0.690 -13.911 1.00 3.01 H new ATOM 624 N ASN A 42 -3.757 5.637 -16.540 1.00 1.26 N ATOM 625 CA ASN A 42 -4.717 5.695 -17.657 1.00 1.34 C ATOM 626 C ASN A 42 -6.082 5.107 -17.233 1.00 0.89 C ATOM 627 O ASN A 42 -6.192 3.888 -17.048 1.00 1.50 O ATOM 628 CB ASN A 42 -4.166 4.938 -18.874 1.00 2.22 C ATOM 629 CG ASN A 42 -2.984 5.643 -19.515 1.00 3.03 C ATOM 630 OD1 ASN A 42 -3.151 6.469 -20.413 1.00 3.77 O ATOM 631 ND2 ASN A 42 -1.781 5.319 -19.055 1.00 3.37 N ATOM 0 H ASN A 42 -2.932 5.068 -16.731 1.00 1.26 H new ATOM 0 HA ASN A 42 -4.862 6.740 -17.931 1.00 1.34 H new ATOM 0 HB2 ASN A 42 -3.864 3.936 -18.568 1.00 2.22 H new ATOM 0 HB3 ASN A 42 -4.958 4.820 -19.613 1.00 2.22 H new ATOM 0 HD21 ASN A 42 -0.949 5.760 -19.447 1.00 3.37 H new ATOM 0 HD22 ASN A 42 -1.689 4.629 -18.309 1.00 3.37 H new ATOM 638 N PRO A 43 -7.148 5.956 -17.052 1.00 1.06 N ATOM 639 CA PRO A 43 -8.474 5.473 -16.620 1.00 1.66 C ATOM 640 C PRO A 43 -9.209 4.638 -17.678 1.00 1.29 C ATOM 641 O PRO A 43 -9.986 5.161 -18.488 1.00 1.26 O ATOM 642 CB PRO A 43 -9.258 6.763 -16.302 1.00 2.73 C ATOM 643 CG PRO A 43 -8.256 7.868 -16.308 1.00 2.76 C ATOM 644 CD PRO A 43 -7.155 7.427 -17.226 1.00 1.85 C ATOM 0 HA PRO A 43 -8.377 4.795 -15.772 1.00 1.66 H new ATOM 0 HB2 PRO A 43 -10.037 6.939 -17.044 1.00 2.73 H new ATOM 0 HB3 PRO A 43 -9.752 6.690 -15.333 1.00 2.73 H new ATOM 0 HG2 PRO A 43 -8.704 8.799 -16.656 1.00 2.76 H new ATOM 0 HG3 PRO A 43 -7.875 8.054 -15.304 1.00 2.76 H new ATOM 0 HD2 PRO A 43 -7.353 7.711 -18.260 1.00 1.85 H new ATOM 0 HD3 PRO A 43 -6.198 7.871 -16.951 1.00 1.85 H new ATOM 652 N THR A 44 -8.924 3.333 -17.672 1.00 1.26 N ATOM 653 CA THR A 44 -9.564 2.390 -18.571 1.00 1.00 C ATOM 654 C THR A 44 -10.455 1.430 -17.801 1.00 0.85 C ATOM 655 O THR A 44 -10.144 1.041 -16.671 1.00 0.89 O ATOM 656 CB THR A 44 -8.541 1.582 -19.381 1.00 1.17 C ATOM 657 OG1 THR A 44 -7.212 1.831 -18.910 1.00 1.51 O ATOM 658 CG2 THR A 44 -8.627 1.956 -20.832 1.00 1.33 C ATOM 0 H THR A 44 -8.243 2.909 -17.042 1.00 1.26 H new ATOM 0 HA THR A 44 -10.167 2.978 -19.263 1.00 1.00 H new ATOM 0 HB THR A 44 -8.769 0.523 -19.258 1.00 1.17 H new ATOM 0 HG1 THR A 44 -6.565 1.436 -19.532 1.00 1.51 H new ATOM 0 HG21 THR A 44 -7.898 1.378 -21.400 1.00 1.33 H new ATOM 0 HG22 THR A 44 -9.629 1.742 -21.204 1.00 1.33 H new ATOM 0 HG23 THR A 44 -8.417 3.019 -20.947 1.00 1.33 H new ATOM 666 N GLU A 45 -11.564 1.059 -18.436 1.00 0.76 N ATOM 667 CA GLU A 45 -12.552 0.144 -17.856 1.00 0.72 C ATOM 668 C GLU A 45 -12.123 -1.294 -18.063 1.00 0.71 C ATOM 669 O GLU A 45 -12.548 -2.180 -17.336 1.00 0.70 O ATOM 670 CB GLU A 45 -13.943 0.377 -18.463 1.00 0.79 C ATOM 671 CG GLU A 45 -14.603 1.682 -18.027 1.00 0.85 C ATOM 672 CD GLU A 45 -15.247 1.591 -16.654 1.00 1.41 C ATOM 673 OE1 GLU A 45 -14.547 1.845 -15.652 1.00 2.03 O ATOM 674 OE2 GLU A 45 -16.452 1.268 -16.584 1.00 1.97 O ATOM 0 H GLU A 45 -11.807 1.384 -19.372 1.00 0.76 H new ATOM 0 HA GLU A 45 -12.611 0.344 -16.786 1.00 0.72 H new ATOM 0 HB2 GLU A 45 -13.859 0.370 -19.550 1.00 0.79 H new ATOM 0 HB3 GLU A 45 -14.591 -0.455 -18.188 1.00 0.79 H new ATOM 0 HG2 GLU A 45 -13.856 2.476 -18.020 1.00 0.85 H new ATOM 0 HG3 GLU A 45 -15.360 1.963 -18.760 1.00 0.85 H new ATOM 681 N ALA A 46 -11.344 -1.517 -19.120 1.00 0.75 N ATOM 682 CA ALA A 46 -10.803 -2.822 -19.421 1.00 0.78 C ATOM 683 C ALA A 46 -9.474 -3.030 -18.720 1.00 0.76 C ATOM 684 O ALA A 46 -9.059 -4.165 -18.551 1.00 0.77 O ATOM 685 CB ALA A 46 -10.672 -3.026 -20.922 1.00 0.90 C ATOM 0 H ALA A 46 -11.076 -0.792 -19.786 1.00 0.75 H new ATOM 0 HA ALA A 46 -11.500 -3.571 -19.046 1.00 0.78 H new ATOM 0 HB1 ALA A 46 -10.262 -4.016 -21.120 1.00 0.90 H new ATOM 0 HB2 ALA A 46 -11.654 -2.939 -21.388 1.00 0.90 H new ATOM 0 HB3 ALA A 46 -10.006 -2.269 -21.335 1.00 0.90 H new ATOM 691 N GLU A 47 -8.815 -1.925 -18.300 1.00 0.77 N ATOM 692 CA GLU A 47 -7.508 -2.015 -17.590 1.00 0.81 C ATOM 693 C GLU A 47 -7.547 -3.001 -16.424 1.00 0.68 C ATOM 694 O GLU A 47 -6.560 -3.677 -16.149 1.00 0.62 O ATOM 695 CB GLU A 47 -7.065 -0.643 -17.065 1.00 0.95 C ATOM 696 CG GLU A 47 -5.672 -0.217 -17.516 1.00 1.30 C ATOM 697 CD GLU A 47 -4.554 -0.968 -16.814 1.00 1.55 C ATOM 698 OE1 GLU A 47 -4.137 -0.529 -15.721 1.00 2.16 O ATOM 699 OE2 GLU A 47 -4.096 -1.992 -17.361 1.00 2.13 O ATOM 0 H GLU A 47 -9.156 -0.973 -18.435 1.00 0.77 H new ATOM 0 HA GLU A 47 -6.790 -2.377 -18.326 1.00 0.81 H new ATOM 0 HB2 GLU A 47 -7.785 0.107 -17.392 1.00 0.95 H new ATOM 0 HB3 GLU A 47 -7.092 -0.658 -15.975 1.00 0.95 H new ATOM 0 HG2 GLU A 47 -5.584 -0.371 -18.591 1.00 1.30 H new ATOM 0 HG3 GLU A 47 -5.551 0.851 -17.336 1.00 1.30 H new ATOM 706 N LEU A 48 -8.696 -3.074 -15.758 1.00 0.66 N ATOM 707 CA LEU A 48 -8.905 -3.983 -14.643 1.00 0.59 C ATOM 708 C LEU A 48 -9.194 -5.405 -15.147 1.00 0.55 C ATOM 709 O LEU A 48 -8.665 -6.368 -14.596 1.00 0.56 O ATOM 710 CB LEU A 48 -10.008 -3.438 -13.714 1.00 0.61 C ATOM 711 CG LEU A 48 -11.107 -2.573 -14.359 1.00 0.76 C ATOM 712 CD1 LEU A 48 -12.026 -3.424 -15.189 1.00 0.87 C ATOM 713 CD2 LEU A 48 -11.924 -1.812 -13.321 1.00 1.24 C ATOM 0 H LEU A 48 -9.510 -2.500 -15.980 1.00 0.66 H new ATOM 0 HA LEU A 48 -7.992 -4.047 -14.051 1.00 0.59 H new ATOM 0 HB2 LEU A 48 -10.488 -4.286 -13.226 1.00 0.61 H new ATOM 0 HB3 LEU A 48 -9.530 -2.849 -12.931 1.00 0.61 H new ATOM 0 HG LEU A 48 -10.604 -1.844 -14.994 1.00 0.76 H new ATOM 0 HD11 LEU A 48 -12.797 -2.797 -15.637 1.00 0.87 H new ATOM 0 HD12 LEU A 48 -11.455 -3.916 -15.976 1.00 0.87 H new ATOM 0 HD13 LEU A 48 -12.494 -4.178 -14.556 1.00 0.87 H new ATOM 0 HD21 LEU A 48 -12.686 -1.216 -13.823 1.00 1.24 H new ATOM 0 HD22 LEU A 48 -12.404 -2.520 -12.645 1.00 1.24 H new ATOM 0 HD23 LEU A 48 -11.267 -1.155 -12.751 1.00 1.24 H new ATOM 725 N GLN A 49 -10.027 -5.531 -16.198 1.00 0.57 N ATOM 726 CA GLN A 49 -10.328 -6.834 -16.815 1.00 0.60 C ATOM 727 C GLN A 49 -9.146 -7.314 -17.673 1.00 0.59 C ATOM 728 O GLN A 49 -9.021 -8.507 -17.961 1.00 0.61 O ATOM 729 CB GLN A 49 -11.589 -6.750 -17.687 1.00 0.67 C ATOM 730 CG GLN A 49 -12.884 -6.573 -16.907 1.00 0.80 C ATOM 731 CD GLN A 49 -14.054 -6.204 -17.799 1.00 1.03 C ATOM 732 OE1 GLN A 49 -14.762 -7.074 -18.306 1.00 1.67 O ATOM 733 NE2 GLN A 49 -14.262 -4.907 -17.994 1.00 1.52 N ATOM 0 H GLN A 49 -10.504 -4.743 -16.637 1.00 0.57 H new ATOM 0 HA GLN A 49 -10.501 -7.548 -16.010 1.00 0.60 H new ATOM 0 HB2 GLN A 49 -11.481 -5.917 -18.381 1.00 0.67 H new ATOM 0 HB3 GLN A 49 -11.662 -7.657 -18.287 1.00 0.67 H new ATOM 0 HG2 GLN A 49 -13.114 -7.497 -16.376 1.00 0.80 H new ATOM 0 HG3 GLN A 49 -12.747 -5.798 -16.153 1.00 0.80 H new ATOM 0 HE21 GLN A 49 -13.650 -4.220 -17.554 1.00 1.52 H new ATOM 0 HE22 GLN A 49 -15.034 -4.597 -18.584 1.00 1.52 H new ATOM 742 N ASP A 50 -8.287 -6.358 -18.070 1.00 0.58 N ATOM 743 CA ASP A 50 -7.097 -6.636 -18.877 1.00 0.57 C ATOM 744 C ASP A 50 -5.921 -6.993 -17.968 1.00 0.49 C ATOM 745 O ASP A 50 -5.178 -7.935 -18.257 1.00 0.48 O ATOM 746 CB ASP A 50 -6.738 -5.431 -19.759 1.00 0.63 C ATOM 747 CG ASP A 50 -5.967 -5.824 -21.008 1.00 1.03 C ATOM 748 OD1 ASP A 50 -4.720 -5.860 -20.948 1.00 1.83 O ATOM 749 OD2 ASP A 50 -6.610 -6.096 -22.043 1.00 1.48 O ATOM 0 H ASP A 50 -8.403 -5.372 -17.837 1.00 0.58 H new ATOM 0 HA ASP A 50 -7.314 -7.482 -19.529 1.00 0.57 H new ATOM 0 HB2 ASP A 50 -7.653 -4.914 -20.050 1.00 0.63 H new ATOM 0 HB3 ASP A 50 -6.144 -4.725 -19.178 1.00 0.63 H new ATOM 754 N MET A 51 -5.748 -6.227 -16.868 1.00 0.45 N ATOM 755 CA MET A 51 -4.662 -6.502 -15.906 1.00 0.41 C ATOM 756 C MET A 51 -4.808 -7.884 -15.249 1.00 0.39 C ATOM 757 O MET A 51 -3.798 -8.500 -14.895 1.00 0.38 O ATOM 758 CB MET A 51 -4.546 -5.411 -14.832 1.00 0.41 C ATOM 759 CG MET A 51 -3.742 -4.203 -15.286 1.00 0.48 C ATOM 760 SD MET A 51 -2.018 -4.605 -15.637 1.00 1.31 S ATOM 761 CE MET A 51 -1.437 -3.055 -16.320 1.00 1.31 C ATOM 0 H MET A 51 -6.335 -5.428 -16.628 1.00 0.45 H new ATOM 0 HA MET A 51 -3.740 -6.499 -16.487 1.00 0.41 H new ATOM 0 HB2 MET A 51 -5.546 -5.086 -14.545 1.00 0.41 H new ATOM 0 HB3 MET A 51 -4.081 -5.835 -13.942 1.00 0.41 H new ATOM 0 HG2 MET A 51 -4.202 -3.781 -16.180 1.00 0.48 H new ATOM 0 HG3 MET A 51 -3.782 -3.434 -14.514 1.00 0.48 H new ATOM 0 HE1 MET A 51 -0.375 -3.135 -16.553 1.00 1.31 H new ATOM 0 HE2 MET A 51 -1.992 -2.828 -17.230 1.00 1.31 H new ATOM 0 HE3 MET A 51 -1.590 -2.257 -15.593 1.00 1.31 H new ATOM 771 N ILE A 52 -6.057 -8.372 -15.083 1.00 0.41 N ATOM 772 CA ILE A 52 -6.279 -9.707 -14.500 1.00 0.42 C ATOM 773 C ILE A 52 -6.213 -10.802 -15.581 1.00 0.46 C ATOM 774 O ILE A 52 -6.124 -11.986 -15.266 1.00 0.49 O ATOM 775 CB ILE A 52 -7.592 -9.874 -13.696 1.00 0.45 C ATOM 776 CG1 ILE A 52 -7.890 -8.626 -12.866 1.00 0.45 C ATOM 777 CG2 ILE A 52 -7.484 -11.090 -12.800 1.00 0.47 C ATOM 778 CD1 ILE A 52 -8.306 -8.828 -11.400 1.00 0.48 C ATOM 0 H ILE A 52 -6.908 -7.872 -15.339 1.00 0.41 H new ATOM 0 HA ILE A 52 -5.466 -9.815 -13.782 1.00 0.42 H new ATOM 0 HB ILE A 52 -8.416 -10.012 -14.396 1.00 0.45 H new ATOM 0 HG12 ILE A 52 -7.002 -7.994 -12.879 1.00 0.45 H new ATOM 0 HG13 ILE A 52 -8.683 -8.071 -13.367 1.00 0.45 H new ATOM 0 HG21 ILE A 52 -8.408 -11.208 -12.234 1.00 0.47 H new ATOM 0 HG22 ILE A 52 -7.316 -11.978 -13.410 1.00 0.47 H new ATOM 0 HG23 ILE A 52 -6.650 -10.961 -12.110 1.00 0.47 H new ATOM 0 HD11 ILE A 52 -8.485 -7.858 -10.936 1.00 0.48 H new ATOM 0 HD12 ILE A 52 -9.218 -9.424 -11.359 1.00 0.48 H new ATOM 0 HD13 ILE A 52 -7.510 -9.345 -10.864 1.00 0.48 H new ATOM 790 N ASN A 53 -6.262 -10.390 -16.853 1.00 0.49 N ATOM 791 CA ASN A 53 -6.234 -11.294 -17.991 1.00 0.56 C ATOM 792 C ASN A 53 -4.864 -11.940 -18.161 1.00 0.58 C ATOM 793 O ASN A 53 -4.747 -13.163 -18.272 1.00 0.65 O ATOM 794 CB ASN A 53 -6.548 -10.470 -19.216 1.00 0.58 C ATOM 795 CG ASN A 53 -7.657 -11.054 -20.068 1.00 0.65 C ATOM 796 OD1 ASN A 53 -7.287 -11.902 -21.021 1.00 1.27 O flip ATOM 797 ND2 ASN A 53 -8.833 -10.748 -19.872 1.00 1.35 N flip ATOM 0 H ASN A 53 -6.323 -9.406 -17.116 1.00 0.49 H new ATOM 0 HA ASN A 53 -6.957 -12.095 -17.840 1.00 0.56 H new ATOM 0 HB2 ASN A 53 -6.830 -9.464 -18.905 1.00 0.58 H new ATOM 0 HB3 ASN A 53 -5.647 -10.375 -19.822 1.00 0.58 H new ATOM 0 HD21 ASN A 53 -9.072 -10.092 -19.128 1.00 1.35 H new ATOM 0 HD22 ASN A 53 -9.568 -11.150 -20.453 1.00 1.35 H new ATOM 804 N GLU A 54 -3.838 -11.086 -18.187 1.00 0.55 N ATOM 805 CA GLU A 54 -2.444 -11.534 -18.342 1.00 0.59 C ATOM 806 C GLU A 54 -1.848 -12.054 -17.043 1.00 0.57 C ATOM 807 O GLU A 54 -0.956 -12.908 -17.064 1.00 0.62 O ATOM 808 CB GLU A 54 -1.565 -10.418 -18.925 1.00 0.61 C ATOM 809 CG GLU A 54 -1.831 -10.114 -20.397 1.00 0.79 C ATOM 810 CD GLU A 54 -1.173 -11.110 -21.337 1.00 1.15 C ATOM 811 OE1 GLU A 54 -1.818 -12.125 -21.673 1.00 1.78 O ATOM 812 OE2 GLU A 54 -0.014 -10.872 -21.736 1.00 1.82 O ATOM 0 H GLU A 54 -3.943 -10.075 -18.103 1.00 0.55 H new ATOM 0 HA GLU A 54 -2.465 -12.368 -19.044 1.00 0.59 H new ATOM 0 HB2 GLU A 54 -1.720 -9.509 -18.344 1.00 0.61 H new ATOM 0 HB3 GLU A 54 -0.518 -10.697 -18.807 1.00 0.61 H new ATOM 0 HG2 GLU A 54 -2.907 -10.112 -20.573 1.00 0.79 H new ATOM 0 HG3 GLU A 54 -1.469 -9.112 -20.627 1.00 0.79 H new ATOM 819 N VAL A 55 -2.338 -11.538 -15.927 1.00 0.50 N ATOM 820 CA VAL A 55 -1.888 -11.987 -14.614 1.00 0.48 C ATOM 821 C VAL A 55 -3.028 -12.819 -14.011 1.00 0.48 C ATOM 822 O VAL A 55 -3.268 -12.825 -12.800 1.00 0.45 O ATOM 823 CB VAL A 55 -1.475 -10.801 -13.679 1.00 0.44 C ATOM 824 CG1 VAL A 55 -0.532 -11.284 -12.581 1.00 0.47 C ATOM 825 CG2 VAL A 55 -0.811 -9.670 -14.463 1.00 0.48 C ATOM 0 H VAL A 55 -3.049 -10.807 -15.902 1.00 0.50 H new ATOM 0 HA VAL A 55 -0.984 -12.587 -14.717 1.00 0.48 H new ATOM 0 HB VAL A 55 -2.388 -10.414 -13.227 1.00 0.44 H new ATOM 0 HG11 VAL A 55 -0.257 -10.445 -11.942 1.00 0.47 H new ATOM 0 HG12 VAL A 55 -1.030 -12.047 -11.983 1.00 0.47 H new ATOM 0 HG13 VAL A 55 0.366 -11.706 -13.032 1.00 0.47 H new ATOM 0 HG21 VAL A 55 -0.539 -8.865 -13.780 1.00 0.48 H new ATOM 0 HG22 VAL A 55 0.085 -10.046 -14.956 1.00 0.48 H new ATOM 0 HG23 VAL A 55 -1.505 -9.290 -15.213 1.00 0.48 H new ATOM 835 N ASP A 56 -3.708 -13.549 -14.917 1.00 0.55 N ATOM 836 CA ASP A 56 -4.874 -14.391 -14.591 1.00 0.60 C ATOM 837 C ASP A 56 -4.594 -15.540 -13.610 1.00 0.61 C ATOM 838 O ASP A 56 -3.847 -16.476 -13.920 1.00 0.65 O ATOM 839 CB ASP A 56 -5.504 -14.944 -15.888 1.00 0.75 C ATOM 840 CG ASP A 56 -4.536 -15.749 -16.750 1.00 0.98 C ATOM 841 OD1 ASP A 56 -4.812 -16.942 -16.996 1.00 1.58 O ATOM 842 OD2 ASP A 56 -3.504 -15.185 -17.170 1.00 1.87 O ATOM 0 H ASP A 56 -3.460 -13.570 -15.906 1.00 0.55 H new ATOM 0 HA ASP A 56 -5.570 -13.732 -14.071 1.00 0.60 H new ATOM 0 HB2 ASP A 56 -6.354 -15.575 -15.627 1.00 0.75 H new ATOM 0 HB3 ASP A 56 -5.893 -14.112 -16.475 1.00 0.75 H new ATOM 847 N ALA A 57 -5.199 -15.435 -12.417 1.00 0.59 N ATOM 848 CA ALA A 57 -5.102 -16.474 -11.387 1.00 0.62 C ATOM 849 C ALA A 57 -6.206 -17.497 -11.603 1.00 0.68 C ATOM 850 O ALA A 57 -5.974 -18.710 -11.621 1.00 0.74 O ATOM 851 CB ALA A 57 -5.228 -15.866 -9.997 1.00 0.60 C ATOM 0 H ALA A 57 -5.765 -14.632 -12.143 1.00 0.59 H new ATOM 0 HA ALA A 57 -4.128 -16.958 -11.463 1.00 0.62 H new ATOM 0 HB1 ALA A 57 -5.153 -16.654 -9.247 1.00 0.60 H new ATOM 0 HB2 ALA A 57 -4.428 -15.141 -9.843 1.00 0.60 H new ATOM 0 HB3 ALA A 57 -6.193 -15.367 -9.904 1.00 0.60 H new ATOM 857 N ASP A 58 -7.404 -16.955 -11.763 1.00 0.68 N ATOM 858 CA ASP A 58 -8.610 -17.722 -12.022 1.00 0.75 C ATOM 859 C ASP A 58 -9.139 -17.367 -13.421 1.00 0.75 C ATOM 860 O ASP A 58 -9.878 -18.138 -14.039 1.00 0.83 O ATOM 861 CB ASP A 58 -9.621 -17.425 -10.900 1.00 0.77 C ATOM 862 CG ASP A 58 -11.031 -17.932 -11.172 1.00 0.90 C ATOM 863 OD1 ASP A 58 -11.217 -19.166 -11.226 1.00 1.36 O ATOM 864 OD2 ASP A 58 -11.944 -17.095 -11.323 1.00 1.62 O ATOM 0 H ASP A 58 -7.567 -15.949 -11.715 1.00 0.68 H new ATOM 0 HA ASP A 58 -8.418 -18.795 -12.019 1.00 0.75 H new ATOM 0 HB2 ASP A 58 -9.260 -17.873 -9.974 1.00 0.77 H new ATOM 0 HB3 ASP A 58 -9.660 -16.348 -10.739 1.00 0.77 H new ATOM 869 N GLY A 59 -8.734 -16.178 -13.890 1.00 0.68 N ATOM 870 CA GLY A 59 -9.064 -15.680 -15.217 1.00 0.68 C ATOM 871 C GLY A 59 -10.504 -15.306 -15.428 1.00 0.72 C ATOM 872 O GLY A 59 -10.928 -15.090 -16.568 1.00 0.75 O ATOM 0 H GLY A 59 -8.161 -15.533 -13.345 1.00 0.68 H new ATOM 0 HA2 GLY A 59 -8.446 -14.806 -15.422 1.00 0.68 H new ATOM 0 HA3 GLY A 59 -8.793 -16.441 -15.949 1.00 0.68 H new ATOM 876 N ASN A 60 -11.256 -15.230 -14.339 1.00 0.73 N ATOM 877 CA ASN A 60 -12.623 -14.790 -14.403 1.00 0.78 C ATOM 878 C ASN A 60 -12.617 -13.318 -14.026 1.00 0.72 C ATOM 879 O ASN A 60 -13.644 -12.714 -13.692 1.00 0.77 O ATOM 880 CB ASN A 60 -13.524 -15.625 -13.480 1.00 0.86 C ATOM 881 CG ASN A 60 -14.993 -15.544 -13.859 1.00 1.28 C ATOM 882 OD1 ASN A 60 -15.487 -16.343 -14.655 1.00 1.86 O ATOM 883 ND2 ASN A 60 -15.698 -14.573 -13.289 1.00 2.03 N ATOM 0 H ASN A 60 -10.932 -15.470 -13.402 1.00 0.73 H new ATOM 0 HA ASN A 60 -13.036 -14.923 -15.403 1.00 0.78 H new ATOM 0 HB2 ASN A 60 -13.203 -16.666 -13.511 1.00 0.86 H new ATOM 0 HB3 ASN A 60 -13.399 -15.283 -12.452 1.00 0.86 H new ATOM 0 HD21 ASN A 60 -16.689 -14.468 -13.506 1.00 2.03 H new ATOM 0 HD22 ASN A 60 -15.248 -13.933 -12.635 1.00 2.03 H new ATOM 890 N GLY A 61 -11.400 -12.764 -14.123 1.00 0.64 N ATOM 891 CA GLY A 61 -11.156 -11.386 -13.782 1.00 0.59 C ATOM 892 C GLY A 61 -10.794 -11.251 -12.324 1.00 0.56 C ATOM 893 O GLY A 61 -11.021 -10.218 -11.693 1.00 0.56 O ATOM 0 H GLY A 61 -10.572 -13.269 -14.440 1.00 0.64 H new ATOM 0 HA2 GLY A 61 -10.349 -10.991 -14.400 1.00 0.59 H new ATOM 0 HA3 GLY A 61 -12.043 -10.791 -13.998 1.00 0.59 H new ATOM 897 N THR A 62 -10.234 -12.333 -11.808 1.00 0.56 N ATOM 898 CA THR A 62 -9.846 -12.430 -10.413 1.00 0.54 C ATOM 899 C THR A 62 -8.410 -12.863 -10.226 1.00 0.50 C ATOM 900 O THR A 62 -7.927 -13.781 -10.897 1.00 0.51 O ATOM 901 CB THR A 62 -10.707 -13.422 -9.628 1.00 0.59 C ATOM 902 OG1 THR A 62 -11.381 -14.331 -10.510 1.00 0.65 O ATOM 903 CG2 THR A 62 -11.713 -12.699 -8.751 1.00 0.62 C ATOM 0 H THR A 62 -10.035 -13.174 -12.350 1.00 0.56 H new ATOM 0 HA THR A 62 -9.986 -11.418 -10.034 1.00 0.54 H new ATOM 0 HB THR A 62 -10.040 -13.996 -8.985 1.00 0.59 H new ATOM 0 HG1 THR A 62 -11.923 -14.956 -9.984 1.00 0.65 H new ATOM 0 HG21 THR A 62 -12.311 -13.429 -8.205 1.00 0.62 H new ATOM 0 HG22 THR A 62 -11.185 -12.060 -8.043 1.00 0.62 H new ATOM 0 HG23 THR A 62 -12.366 -12.088 -9.374 1.00 0.62 H new ATOM 911 N ILE A 63 -7.743 -12.182 -9.303 1.00 0.47 N ATOM 912 CA ILE A 63 -6.382 -12.474 -8.949 1.00 0.45 C ATOM 913 C ILE A 63 -6.327 -12.820 -7.460 1.00 0.46 C ATOM 914 O ILE A 63 -7.022 -12.219 -6.635 1.00 0.48 O ATOM 915 CB ILE A 63 -5.447 -11.297 -9.294 1.00 0.41 C ATOM 916 CG1 ILE A 63 -4.172 -11.770 -9.999 1.00 0.40 C ATOM 917 CG2 ILE A 63 -5.109 -10.515 -8.048 1.00 0.43 C ATOM 918 CD1 ILE A 63 -3.456 -10.655 -10.737 1.00 0.42 C ATOM 0 H ILE A 63 -8.147 -11.405 -8.780 1.00 0.47 H new ATOM 0 HA ILE A 63 -6.030 -13.327 -9.529 1.00 0.45 H new ATOM 0 HB ILE A 63 -5.977 -10.645 -9.988 1.00 0.41 H new ATOM 0 HG12 ILE A 63 -3.496 -12.204 -9.263 1.00 0.40 H new ATOM 0 HG13 ILE A 63 -4.425 -12.561 -10.704 1.00 0.40 H new ATOM 0 HG21 ILE A 63 -4.448 -9.687 -8.306 1.00 0.43 H new ATOM 0 HG22 ILE A 63 -6.025 -10.124 -7.604 1.00 0.43 H new ATOM 0 HG23 ILE A 63 -4.610 -11.168 -7.333 1.00 0.43 H new ATOM 0 HD11 ILE A 63 -2.561 -11.052 -11.216 1.00 0.42 H new ATOM 0 HD12 ILE A 63 -4.118 -10.237 -11.495 1.00 0.42 H new ATOM 0 HD13 ILE A 63 -3.174 -9.874 -10.031 1.00 0.42 H new ATOM 930 N ASP A 64 -5.523 -13.803 -7.156 1.00 0.48 N ATOM 931 CA ASP A 64 -5.345 -14.299 -5.799 1.00 0.51 C ATOM 932 C ASP A 64 -4.111 -13.662 -5.137 1.00 0.54 C ATOM 933 O ASP A 64 -3.514 -12.735 -5.692 1.00 0.54 O ATOM 934 CB ASP A 64 -5.227 -15.822 -5.853 1.00 0.57 C ATOM 935 CG ASP A 64 -6.574 -16.504 -5.995 1.00 0.65 C ATOM 936 OD1 ASP A 64 -7.007 -16.730 -7.144 1.00 1.25 O ATOM 937 OD2 ASP A 64 -7.196 -16.813 -4.956 1.00 1.33 O ATOM 0 H ASP A 64 -4.960 -14.296 -7.849 1.00 0.48 H new ATOM 0 HA ASP A 64 -6.205 -14.024 -5.189 1.00 0.51 H new ATOM 0 HB2 ASP A 64 -4.590 -16.104 -6.691 1.00 0.57 H new ATOM 0 HB3 ASP A 64 -4.737 -16.178 -4.947 1.00 0.57 H new ATOM 942 N PHE A 65 -3.738 -14.166 -3.947 1.00 0.62 N ATOM 943 CA PHE A 65 -2.585 -13.649 -3.192 1.00 0.73 C ATOM 944 C PHE A 65 -1.206 -14.030 -3.805 1.00 0.78 C ATOM 945 O PHE A 65 -0.277 -13.229 -3.694 1.00 0.86 O ATOM 946 CB PHE A 65 -2.656 -14.085 -1.711 1.00 0.82 C ATOM 947 CG PHE A 65 -2.848 -15.566 -1.484 1.00 0.82 C ATOM 948 CD1 PHE A 65 -1.758 -16.391 -1.253 1.00 1.39 C ATOM 949 CD2 PHE A 65 -4.116 -16.126 -1.500 1.00 1.51 C ATOM 950 CE1 PHE A 65 -1.929 -17.746 -1.043 1.00 1.43 C ATOM 951 CE2 PHE A 65 -4.293 -17.481 -1.291 1.00 1.52 C ATOM 952 CZ PHE A 65 -3.198 -18.292 -1.062 1.00 0.90 C ATOM 0 H PHE A 65 -4.223 -14.936 -3.486 1.00 0.62 H new ATOM 0 HA PHE A 65 -2.655 -12.563 -3.256 1.00 0.73 H new ATOM 0 HB2 PHE A 65 -1.738 -13.774 -1.213 1.00 0.82 H new ATOM 0 HB3 PHE A 65 -3.476 -13.551 -1.231 1.00 0.82 H new ATOM 0 HD1 PHE A 65 -0.764 -15.970 -1.237 1.00 1.39 H new ATOM 0 HD2 PHE A 65 -4.975 -15.497 -1.678 1.00 1.51 H new ATOM 0 HE1 PHE A 65 -1.071 -18.378 -0.864 1.00 1.43 H new ATOM 0 HE2 PHE A 65 -5.286 -17.905 -1.307 1.00 1.52 H new ATOM 0 HZ PHE A 65 -3.334 -19.351 -0.898 1.00 0.90 H new ATOM 962 N PRO A 66 -1.024 -15.233 -4.460 1.00 0.79 N ATOM 963 CA PRO A 66 0.281 -15.624 -5.047 1.00 0.89 C ATOM 964 C PRO A 66 0.683 -14.802 -6.281 1.00 0.79 C ATOM 965 O PRO A 66 1.875 -14.594 -6.518 1.00 0.82 O ATOM 966 CB PRO A 66 0.085 -17.098 -5.443 1.00 0.98 C ATOM 967 CG PRO A 66 -1.161 -17.535 -4.754 1.00 0.91 C ATOM 968 CD PRO A 66 -2.017 -16.311 -4.667 1.00 0.75 C ATOM 0 HA PRO A 66 1.084 -15.452 -4.330 1.00 0.89 H new ATOM 0 HB2 PRO A 66 -0.007 -17.205 -6.524 1.00 0.98 H new ATOM 0 HB3 PRO A 66 0.937 -17.704 -5.134 1.00 0.98 H new ATOM 0 HG2 PRO A 66 -1.662 -18.326 -5.312 1.00 0.91 H new ATOM 0 HG3 PRO A 66 -0.943 -17.933 -3.763 1.00 0.91 H new ATOM 0 HD2 PRO A 66 -2.598 -16.157 -5.577 1.00 0.75 H new ATOM 0 HD3 PRO A 66 -2.727 -16.371 -3.842 1.00 0.75 H new ATOM 976 N GLU A 67 -0.309 -14.358 -7.068 1.00 0.69 N ATOM 977 CA GLU A 67 -0.055 -13.570 -8.271 1.00 0.63 C ATOM 978 C GLU A 67 -0.001 -12.063 -7.992 1.00 0.62 C ATOM 979 O GLU A 67 0.929 -11.391 -8.445 1.00 0.66 O ATOM 980 CB GLU A 67 -1.079 -13.899 -9.344 1.00 0.61 C ATOM 981 CG GLU A 67 -0.555 -14.888 -10.372 1.00 0.70 C ATOM 982 CD GLU A 67 -1.656 -15.544 -11.177 1.00 1.12 C ATOM 983 OE1 GLU A 67 -1.973 -15.037 -12.272 1.00 1.71 O ATOM 984 OE2 GLU A 67 -2.195 -16.571 -10.715 1.00 1.94 O ATOM 0 H GLU A 67 -1.297 -14.535 -6.887 1.00 0.69 H new ATOM 0 HA GLU A 67 0.935 -13.846 -8.636 1.00 0.63 H new ATOM 0 HB2 GLU A 67 -1.973 -14.309 -8.874 1.00 0.61 H new ATOM 0 HB3 GLU A 67 -1.378 -12.980 -9.849 1.00 0.61 H new ATOM 0 HG2 GLU A 67 0.125 -14.373 -11.050 1.00 0.70 H new ATOM 0 HG3 GLU A 67 0.025 -15.659 -9.864 1.00 0.70 H new ATOM 991 N PHE A 68 -1.017 -11.539 -7.270 1.00 0.63 N ATOM 992 CA PHE A 68 -1.108 -10.114 -6.884 1.00 0.72 C ATOM 993 C PHE A 68 0.246 -9.476 -6.519 1.00 0.79 C ATOM 994 O PHE A 68 0.558 -8.376 -6.985 1.00 0.87 O ATOM 995 CB PHE A 68 -2.098 -9.990 -5.707 1.00 0.88 C ATOM 996 CG PHE A 68 -2.460 -8.580 -5.316 1.00 0.91 C ATOM 997 CD1 PHE A 68 -1.721 -7.904 -4.356 1.00 1.54 C ATOM 998 CD2 PHE A 68 -3.537 -7.938 -5.901 1.00 1.84 C ATOM 999 CE1 PHE A 68 -2.052 -6.615 -3.989 1.00 2.15 C ATOM 1000 CE2 PHE A 68 -3.872 -6.650 -5.538 1.00 2.44 C ATOM 1001 CZ PHE A 68 -3.128 -5.987 -4.580 1.00 2.37 C ATOM 0 H PHE A 68 -1.802 -12.098 -6.937 1.00 0.63 H new ATOM 0 HA PHE A 68 -1.460 -9.561 -7.755 1.00 0.72 H new ATOM 0 HB2 PHE A 68 -3.012 -10.524 -5.965 1.00 0.88 H new ATOM 0 HB3 PHE A 68 -1.670 -10.492 -4.839 1.00 0.88 H new ATOM 0 HD1 PHE A 68 -0.877 -8.392 -3.891 1.00 1.54 H new ATOM 0 HD2 PHE A 68 -4.122 -8.451 -6.650 1.00 1.84 H new ATOM 0 HE1 PHE A 68 -1.469 -6.099 -3.240 1.00 2.15 H new ATOM 0 HE2 PHE A 68 -4.715 -6.160 -6.002 1.00 2.44 H new ATOM 0 HZ PHE A 68 -3.389 -4.979 -4.295 1.00 2.37 H new ATOM 1011 N LEU A 69 1.029 -10.169 -5.697 1.00 0.81 N ATOM 1012 CA LEU A 69 2.332 -9.661 -5.252 1.00 0.89 C ATOM 1013 C LEU A 69 3.485 -9.994 -6.179 1.00 0.84 C ATOM 1014 O LEU A 69 4.558 -9.425 -6.026 1.00 0.89 O ATOM 1015 CB LEU A 69 2.696 -10.159 -3.867 1.00 0.99 C ATOM 1016 CG LEU A 69 2.149 -11.538 -3.517 1.00 0.97 C ATOM 1017 CD1 LEU A 69 2.733 -12.611 -4.424 1.00 0.92 C ATOM 1018 CD2 LEU A 69 2.441 -11.868 -2.074 1.00 1.14 C ATOM 0 H LEU A 69 0.787 -11.086 -5.322 1.00 0.81 H new ATOM 0 HA LEU A 69 2.196 -8.580 -5.251 1.00 0.89 H new ATOM 0 HB2 LEU A 69 3.782 -10.182 -3.779 1.00 0.99 H new ATOM 0 HB3 LEU A 69 2.331 -9.442 -3.131 1.00 0.99 H new ATOM 0 HG LEU A 69 1.070 -11.516 -3.668 1.00 0.97 H new ATOM 0 HD11 LEU A 69 2.323 -13.583 -4.149 1.00 0.92 H new ATOM 0 HD12 LEU A 69 2.478 -12.390 -5.460 1.00 0.92 H new ATOM 0 HD13 LEU A 69 3.817 -12.630 -4.314 1.00 0.92 H new ATOM 0 HD21 LEU A 69 2.044 -12.856 -1.839 1.00 1.14 H new ATOM 0 HD22 LEU A 69 3.519 -11.861 -1.910 1.00 1.14 H new ATOM 0 HD23 LEU A 69 1.971 -11.126 -1.429 1.00 1.14 H new ATOM 1030 N THR A 70 3.289 -10.948 -7.098 1.00 0.78 N ATOM 1031 CA THR A 70 4.349 -11.374 -8.041 1.00 0.78 C ATOM 1032 C THR A 70 5.076 -10.179 -8.668 1.00 0.80 C ATOM 1033 O THR A 70 6.196 -10.320 -9.161 1.00 0.79 O ATOM 1034 CB THR A 70 3.778 -12.302 -9.147 1.00 0.80 C ATOM 1035 OG1 THR A 70 2.985 -13.333 -8.551 1.00 0.79 O ATOM 1036 CG2 THR A 70 4.882 -12.949 -9.983 1.00 0.88 C ATOM 0 H THR A 70 2.406 -11.445 -7.214 1.00 0.78 H new ATOM 0 HA THR A 70 5.079 -11.937 -7.460 1.00 0.78 H new ATOM 0 HB THR A 70 3.170 -11.683 -9.807 1.00 0.80 H new ATOM 0 HG1 THR A 70 3.145 -13.351 -7.584 1.00 0.79 H new ATOM 0 HG21 THR A 70 4.435 -13.589 -10.744 1.00 0.88 H new ATOM 0 HG22 THR A 70 5.475 -12.172 -10.466 1.00 0.88 H new ATOM 0 HG23 THR A 70 5.524 -13.548 -9.337 1.00 0.88 H new ATOM 1044 N MET A 71 4.420 -9.021 -8.642 1.00 0.87 N ATOM 1045 CA MET A 71 5.002 -7.794 -9.138 1.00 0.96 C ATOM 1046 C MET A 71 5.813 -7.085 -8.054 1.00 0.97 C ATOM 1047 O MET A 71 6.793 -6.411 -8.372 1.00 1.00 O ATOM 1048 CB MET A 71 3.933 -6.877 -9.729 1.00 1.10 C ATOM 1049 CG MET A 71 3.399 -7.353 -11.069 1.00 1.15 C ATOM 1050 SD MET A 71 4.622 -7.229 -12.388 1.00 1.66 S ATOM 1051 CE MET A 71 3.685 -7.857 -13.779 1.00 1.68 C ATOM 0 H MET A 71 3.474 -8.916 -8.276 1.00 0.87 H new ATOM 0 HA MET A 71 5.692 -8.054 -9.941 1.00 0.96 H new ATOM 0 HB2 MET A 71 3.105 -6.797 -9.025 1.00 1.10 H new ATOM 0 HB3 MET A 71 4.349 -5.876 -9.847 1.00 1.10 H new ATOM 0 HG2 MET A 71 3.072 -8.389 -10.978 1.00 1.15 H new ATOM 0 HG3 MET A 71 2.522 -6.764 -11.336 1.00 1.15 H new ATOM 0 HE1 MET A 71 4.308 -7.843 -14.673 1.00 1.68 H new ATOM 0 HE2 MET A 71 3.369 -8.880 -13.573 1.00 1.68 H new ATOM 0 HE3 MET A 71 2.807 -7.231 -13.939 1.00 1.68 H new ATOM 1061 N MET A 72 5.404 -7.227 -6.775 1.00 0.99 N ATOM 1062 CA MET A 72 6.165 -6.645 -5.663 1.00 1.06 C ATOM 1063 C MET A 72 7.226 -7.651 -5.263 1.00 0.94 C ATOM 1064 O MET A 72 8.269 -7.302 -4.704 1.00 0.95 O ATOM 1065 CB MET A 72 5.262 -6.290 -4.478 1.00 1.23 C ATOM 1066 CG MET A 72 4.319 -5.125 -4.750 1.00 1.37 C ATOM 1067 SD MET A 72 3.067 -4.915 -3.466 1.00 2.19 S ATOM 1068 CE MET A 72 1.909 -6.221 -3.880 1.00 3.08 C ATOM 0 H MET A 72 4.563 -7.733 -6.495 1.00 0.99 H new ATOM 0 HA MET A 72 6.626 -5.709 -5.979 1.00 1.06 H new ATOM 0 HB2 MET A 72 4.673 -7.166 -4.207 1.00 1.23 H new ATOM 0 HB3 MET A 72 5.886 -6.047 -3.618 1.00 1.23 H new ATOM 0 HG2 MET A 72 4.900 -4.207 -4.836 1.00 1.37 H new ATOM 0 HG3 MET A 72 3.825 -5.281 -5.709 1.00 1.37 H new ATOM 0 HE1 MET A 72 0.916 -5.955 -3.517 1.00 3.08 H new ATOM 0 HE2 MET A 72 1.878 -6.350 -4.962 1.00 3.08 H new ATOM 0 HE3 MET A 72 2.229 -7.152 -3.413 1.00 3.08 H new ATOM 1078 N ALA A 73 6.916 -8.918 -5.572 1.00 0.86 N ATOM 1079 CA ALA A 73 7.829 -10.025 -5.387 1.00 0.79 C ATOM 1080 C ALA A 73 8.819 -9.986 -6.542 1.00 0.71 C ATOM 1081 O ALA A 73 9.882 -10.610 -6.485 1.00 0.68 O ATOM 1082 CB ALA A 73 7.087 -11.353 -5.346 1.00 0.80 C ATOM 0 H ALA A 73 6.013 -9.192 -5.960 1.00 0.86 H new ATOM 0 HA ALA A 73 8.348 -9.934 -4.433 1.00 0.79 H new ATOM 0 HB1 ALA A 73 7.801 -12.165 -5.206 1.00 0.80 H new ATOM 0 HB2 ALA A 73 6.377 -11.348 -4.519 1.00 0.80 H new ATOM 0 HB3 ALA A 73 6.551 -11.499 -6.284 1.00 0.80 H new ATOM 1088 N ARG A 74 8.435 -9.239 -7.616 1.00 0.72 N ATOM 1089 CA ARG A 74 9.264 -9.034 -8.747 1.00 0.71 C ATOM 1090 C ARG A 74 10.346 -8.033 -8.401 1.00 0.73 C ATOM 1091 O ARG A 74 11.505 -8.228 -8.756 1.00 0.68 O ATOM 1092 CB ARG A 74 8.404 -8.506 -9.888 1.00 0.83 C ATOM 1093 CG ARG A 74 9.209 -8.026 -11.058 1.00 0.91 C ATOM 1094 CD ARG A 74 8.377 -7.903 -12.321 1.00 1.12 C ATOM 1095 NE ARG A 74 9.164 -7.382 -13.444 1.00 1.47 N ATOM 1096 CZ ARG A 74 8.961 -7.697 -14.732 1.00 1.90 C ATOM 1097 NH1 ARG A 74 7.991 -8.536 -15.092 1.00 2.18 N ATOM 1098 NH2 ARG A 74 9.740 -7.167 -15.665 1.00 2.55 N ATOM 0 H ARG A 74 7.528 -8.777 -7.681 1.00 0.72 H new ATOM 0 HA ARG A 74 9.735 -9.970 -9.048 1.00 0.71 H new ATOM 0 HB2 ARG A 74 7.727 -9.293 -10.219 1.00 0.83 H new ATOM 0 HB3 ARG A 74 7.785 -7.688 -9.520 1.00 0.83 H new ATOM 0 HG2 ARG A 74 9.649 -7.057 -10.820 1.00 0.91 H new ATOM 0 HG3 ARG A 74 10.034 -8.716 -11.235 1.00 0.91 H new ATOM 0 HD2 ARG A 74 7.970 -8.879 -12.585 1.00 1.12 H new ATOM 0 HD3 ARG A 74 7.529 -7.244 -12.135 1.00 1.12 H new ATOM 0 HE ARG A 74 9.921 -6.733 -13.230 1.00 1.47 H new ATOM 0 HH11 ARG A 74 7.387 -8.951 -14.383 1.00 2.18 H new ATOM 0 HH12 ARG A 74 7.853 -8.763 -16.077 1.00 2.18 H new ATOM 0 HH21 ARG A 74 10.487 -6.525 -15.401 1.00 2.55 H new ATOM 0 HH22 ARG A 74 9.592 -7.402 -16.647 1.00 2.55 H new ATOM 1112 N LYS A 75 9.944 -6.936 -7.732 1.00 0.86 N ATOM 1113 CA LYS A 75 10.881 -5.919 -7.286 1.00 0.95 C ATOM 1114 C LYS A 75 11.955 -6.552 -6.390 1.00 0.90 C ATOM 1115 O LYS A 75 12.999 -5.956 -6.114 1.00 0.96 O ATOM 1116 CB LYS A 75 10.117 -4.810 -6.569 1.00 1.19 C ATOM 1117 CG LYS A 75 8.791 -4.511 -7.254 1.00 1.28 C ATOM 1118 CD LYS A 75 8.964 -3.670 -8.505 1.00 1.40 C ATOM 1119 CE LYS A 75 8.680 -2.195 -8.251 1.00 2.25 C ATOM 1120 NZ LYS A 75 8.779 -1.387 -9.497 1.00 2.99 N ATOM 0 H LYS A 75 8.971 -6.742 -7.494 1.00 0.86 H new ATOM 0 HA LYS A 75 11.392 -5.477 -8.142 1.00 0.95 H new ATOM 0 HB2 LYS A 75 9.935 -5.102 -5.535 1.00 1.19 H new ATOM 0 HB3 LYS A 75 10.726 -3.906 -6.543 1.00 1.19 H new ATOM 0 HG2 LYS A 75 8.300 -5.449 -7.515 1.00 1.28 H new ATOM 0 HG3 LYS A 75 8.134 -3.990 -6.557 1.00 1.28 H new ATOM 0 HD2 LYS A 75 9.982 -3.783 -8.879 1.00 1.40 H new ATOM 0 HD3 LYS A 75 8.296 -4.038 -9.283 1.00 1.40 H new ATOM 0 HE2 LYS A 75 7.682 -2.086 -7.826 1.00 2.25 H new ATOM 0 HE3 LYS A 75 9.385 -1.812 -7.513 1.00 2.25 H new ATOM 0 HZ1 LYS A 75 8.252 -0.498 -9.377 1.00 2.99 H new ATOM 0 HZ2 LYS A 75 9.778 -1.174 -9.694 1.00 2.99 H new ATOM 0 HZ3 LYS A 75 8.376 -1.924 -10.292 1.00 2.99 H new ATOM 1134 N MET A 76 11.641 -7.783 -5.941 1.00 0.85 N ATOM 1135 CA MET A 76 12.522 -8.605 -5.134 1.00 0.93 C ATOM 1136 C MET A 76 13.494 -9.352 -6.051 1.00 0.83 C ATOM 1137 O MET A 76 14.684 -9.458 -5.742 1.00 0.93 O ATOM 1138 CB MET A 76 11.731 -9.618 -4.292 1.00 1.07 C ATOM 1139 CG MET A 76 10.549 -9.017 -3.553 1.00 0.96 C ATOM 1140 SD MET A 76 9.609 -10.242 -2.622 1.00 1.64 S ATOM 1141 CE MET A 76 8.403 -9.197 -1.807 1.00 2.37 C ATOM 0 H MET A 76 10.746 -8.230 -6.141 1.00 0.85 H new ATOM 0 HA MET A 76 13.069 -7.954 -4.452 1.00 0.93 H new ATOM 0 HB2 MET A 76 11.372 -10.415 -4.943 1.00 1.07 H new ATOM 0 HB3 MET A 76 12.404 -10.077 -3.568 1.00 1.07 H new ATOM 0 HG2 MET A 76 10.907 -8.246 -2.871 1.00 0.96 H new ATOM 0 HG3 MET A 76 9.889 -8.528 -4.270 1.00 0.96 H new ATOM 0 HE1 MET A 76 8.357 -9.452 -0.748 1.00 2.37 H new ATOM 0 HE2 MET A 76 8.694 -8.152 -1.916 1.00 2.37 H new ATOM 0 HE3 MET A 76 7.424 -9.350 -2.260 1.00 2.37 H new ATOM 1151 N LYS A 77 12.968 -9.871 -7.190 1.00 0.72 N ATOM 1152 CA LYS A 77 13.798 -10.583 -8.163 1.00 0.79 C ATOM 1153 C LYS A 77 14.489 -9.612 -9.144 1.00 0.78 C ATOM 1154 O LYS A 77 15.393 -10.004 -9.887 1.00 0.91 O ATOM 1155 CB LYS A 77 12.972 -11.662 -8.887 1.00 0.86 C ATOM 1156 CG LYS A 77 11.909 -11.169 -9.866 1.00 0.76 C ATOM 1157 CD LYS A 77 10.565 -11.850 -9.601 1.00 0.89 C ATOM 1158 CE LYS A 77 10.567 -13.336 -9.969 1.00 0.96 C ATOM 1159 NZ LYS A 77 9.248 -13.975 -9.705 1.00 1.75 N ATOM 0 H LYS A 77 11.982 -9.805 -7.445 1.00 0.72 H new ATOM 0 HA LYS A 77 14.599 -11.089 -7.624 1.00 0.79 H new ATOM 0 HB2 LYS A 77 13.660 -12.310 -9.430 1.00 0.86 H new ATOM 0 HB3 LYS A 77 12.481 -12.278 -8.133 1.00 0.86 H new ATOM 0 HG2 LYS A 77 11.798 -10.089 -9.775 1.00 0.76 H new ATOM 0 HG3 LYS A 77 12.228 -11.371 -10.888 1.00 0.76 H new ATOM 0 HD2 LYS A 77 10.311 -11.742 -8.547 1.00 0.89 H new ATOM 0 HD3 LYS A 77 9.787 -11.341 -10.170 1.00 0.89 H new ATOM 0 HE2 LYS A 77 10.821 -13.449 -11.023 1.00 0.96 H new ATOM 0 HE3 LYS A 77 11.340 -13.850 -9.398 1.00 0.96 H new ATOM 0 HZ1 LYS A 77 9.291 -14.980 -9.967 1.00 1.75 H new ATOM 0 HZ2 LYS A 77 9.017 -13.890 -8.694 1.00 1.75 H new ATOM 0 HZ3 LYS A 77 8.514 -13.501 -10.269 1.00 1.75 H new ATOM 1173 N ASP A 78 14.038 -8.352 -9.122 1.00 0.74 N ATOM 1174 CA ASP A 78 14.585 -7.284 -9.963 1.00 0.79 C ATOM 1175 C ASP A 78 15.036 -6.113 -9.087 1.00 0.77 C ATOM 1176 O ASP A 78 14.217 -5.505 -8.389 1.00 0.80 O ATOM 1177 CB ASP A 78 13.531 -6.805 -10.970 1.00 0.84 C ATOM 1178 CG ASP A 78 13.185 -7.860 -12.006 1.00 1.19 C ATOM 1179 OD1 ASP A 78 13.847 -7.893 -13.064 1.00 1.66 O ATOM 1180 OD2 ASP A 78 12.251 -8.652 -11.757 1.00 1.92 O ATOM 0 H ASP A 78 13.278 -8.044 -8.515 1.00 0.74 H new ATOM 0 HA ASP A 78 15.442 -7.674 -10.512 1.00 0.79 H new ATOM 0 HB2 ASP A 78 12.626 -6.519 -10.434 1.00 0.84 H new ATOM 0 HB3 ASP A 78 13.898 -5.912 -11.476 1.00 0.84 H new ATOM 1185 N THR A 79 16.342 -5.802 -9.119 1.00 0.79 N ATOM 1186 CA THR A 79 16.899 -4.714 -8.314 1.00 0.82 C ATOM 1187 C THR A 79 16.810 -3.359 -9.008 1.00 0.73 C ATOM 1188 O THR A 79 17.578 -2.431 -8.722 1.00 0.78 O ATOM 1189 CB THR A 79 18.350 -4.987 -7.862 1.00 0.99 C ATOM 1190 OG1 THR A 79 19.175 -5.282 -8.996 1.00 1.03 O ATOM 1191 CG2 THR A 79 18.415 -6.137 -6.864 1.00 1.15 C ATOM 0 H THR A 79 17.028 -6.291 -9.695 1.00 0.79 H new ATOM 0 HA THR A 79 16.273 -4.674 -7.423 1.00 0.82 H new ATOM 0 HB THR A 79 18.719 -4.087 -7.369 1.00 0.99 H new ATOM 0 HG1 THR A 79 20.093 -5.452 -8.697 1.00 1.03 H new ATOM 0 HG21 THR A 79 19.450 -6.303 -6.567 1.00 1.15 H new ATOM 0 HG22 THR A 79 17.820 -5.890 -5.985 1.00 1.15 H new ATOM 0 HG23 THR A 79 18.021 -7.042 -7.326 1.00 1.15 H new ATOM 1199 N ASP A 80 15.843 -3.264 -9.905 1.00 0.66 N ATOM 1200 CA ASP A 80 15.557 -2.036 -10.639 1.00 0.67 C ATOM 1201 C ASP A 80 14.617 -1.149 -9.811 1.00 0.66 C ATOM 1202 O ASP A 80 14.168 -0.092 -10.263 1.00 0.74 O ATOM 1203 CB ASP A 80 14.931 -2.359 -12.003 1.00 0.77 C ATOM 1204 CG ASP A 80 15.920 -2.990 -12.966 1.00 1.18 C ATOM 1205 OD1 ASP A 80 16.586 -2.240 -13.709 1.00 1.72 O ATOM 1206 OD2 ASP A 80 16.027 -4.235 -12.976 1.00 1.86 O ATOM 0 H ASP A 80 15.228 -4.041 -10.148 1.00 0.66 H new ATOM 0 HA ASP A 80 16.490 -1.499 -10.813 1.00 0.67 H new ATOM 0 HB2 ASP A 80 14.087 -3.034 -11.860 1.00 0.77 H new ATOM 0 HB3 ASP A 80 14.535 -1.443 -12.443 1.00 0.77 H new ATOM 1211 N SER A 81 14.373 -1.597 -8.566 1.00 0.67 N ATOM 1212 CA SER A 81 13.487 -0.925 -7.608 1.00 0.75 C ATOM 1213 C SER A 81 14.015 0.446 -7.145 1.00 0.68 C ATOM 1214 O SER A 81 13.254 1.240 -6.583 1.00 0.76 O ATOM 1215 CB SER A 81 13.287 -1.848 -6.403 1.00 0.92 C ATOM 1216 OG SER A 81 12.509 -1.234 -5.385 1.00 1.07 O ATOM 0 H SER A 81 14.794 -2.449 -8.195 1.00 0.67 H new ATOM 0 HA SER A 81 12.541 -0.727 -8.112 1.00 0.75 H new ATOM 0 HB2 SER A 81 12.799 -2.767 -6.727 1.00 0.92 H new ATOM 0 HB3 SER A 81 14.259 -2.129 -5.997 1.00 0.92 H new ATOM 0 HG SER A 81 12.403 -1.855 -4.635 1.00 1.07 H new ATOM 1222 N GLU A 82 15.309 0.718 -7.382 1.00 0.62 N ATOM 1223 CA GLU A 82 15.927 1.998 -6.990 1.00 0.63 C ATOM 1224 C GLU A 82 15.420 3.150 -7.872 1.00 0.57 C ATOM 1225 O GLU A 82 15.229 4.271 -7.391 1.00 0.58 O ATOM 1226 CB GLU A 82 17.459 1.897 -7.076 1.00 0.72 C ATOM 1227 CG GLU A 82 18.206 2.916 -6.214 1.00 0.78 C ATOM 1228 CD GLU A 82 18.297 2.504 -4.755 1.00 1.34 C ATOM 1229 OE1 GLU A 82 19.277 1.820 -4.391 1.00 1.65 O ATOM 1230 OE2 GLU A 82 17.388 2.866 -3.978 1.00 2.12 O ATOM 0 H GLU A 82 15.948 0.070 -7.843 1.00 0.62 H new ATOM 0 HA GLU A 82 15.642 2.210 -5.959 1.00 0.63 H new ATOM 0 HB2 GLU A 82 17.763 0.894 -6.777 1.00 0.72 H new ATOM 0 HB3 GLU A 82 17.762 2.026 -8.115 1.00 0.72 H new ATOM 0 HG2 GLU A 82 19.212 3.052 -6.611 1.00 0.78 H new ATOM 0 HG3 GLU A 82 17.703 3.881 -6.283 1.00 0.78 H new ATOM 1237 N GLU A 83 15.211 2.850 -9.158 1.00 0.55 N ATOM 1238 CA GLU A 83 14.716 3.829 -10.130 1.00 0.58 C ATOM 1239 C GLU A 83 13.183 3.867 -10.156 1.00 0.59 C ATOM 1240 O GLU A 83 12.589 4.828 -10.654 1.00 0.65 O ATOM 1241 CB GLU A 83 15.251 3.492 -11.526 1.00 0.64 C ATOM 1242 CG GLU A 83 16.725 3.818 -11.714 1.00 0.71 C ATOM 1243 CD GLU A 83 17.226 3.473 -13.103 1.00 0.94 C ATOM 1244 OE1 GLU A 83 17.687 2.329 -13.300 1.00 1.76 O ATOM 1245 OE2 GLU A 83 17.157 4.346 -13.993 1.00 1.27 O ATOM 0 H GLU A 83 15.380 1.925 -9.553 1.00 0.55 H new ATOM 0 HA GLU A 83 15.073 4.814 -9.828 1.00 0.58 H new ATOM 0 HB2 GLU A 83 15.096 2.430 -11.718 1.00 0.64 H new ATOM 0 HB3 GLU A 83 14.670 4.038 -12.269 1.00 0.64 H new ATOM 0 HG2 GLU A 83 16.885 4.880 -11.527 1.00 0.71 H new ATOM 0 HG3 GLU A 83 17.311 3.272 -10.974 1.00 0.71 H new ATOM 1252 N GLU A 84 12.558 2.811 -9.614 1.00 0.60 N ATOM 1253 CA GLU A 84 11.092 2.687 -9.569 1.00 0.68 C ATOM 1254 C GLU A 84 10.491 3.362 -8.332 1.00 0.63 C ATOM 1255 O GLU A 84 9.403 3.926 -8.406 1.00 0.69 O ATOM 1256 CB GLU A 84 10.667 1.207 -9.565 1.00 0.80 C ATOM 1257 CG GLU A 84 11.252 0.361 -10.693 1.00 1.14 C ATOM 1258 CD GLU A 84 10.499 0.516 -12.003 1.00 1.74 C ATOM 1259 OE1 GLU A 84 9.539 -0.250 -12.230 1.00 2.23 O ATOM 1260 OE2 GLU A 84 10.870 1.403 -12.800 1.00 2.31 O ATOM 0 H GLU A 84 13.051 2.022 -9.196 1.00 0.60 H new ATOM 0 HA GLU A 84 10.717 3.187 -10.462 1.00 0.68 H new ATOM 0 HB2 GLU A 84 10.957 0.765 -8.612 1.00 0.80 H new ATOM 0 HB3 GLU A 84 9.580 1.157 -9.621 1.00 0.80 H new ATOM 0 HG2 GLU A 84 12.295 0.639 -10.845 1.00 1.14 H new ATOM 0 HG3 GLU A 84 11.242 -0.688 -10.396 1.00 1.14 H new ATOM 1267 N ILE A 85 11.219 3.302 -7.205 1.00 0.57 N ATOM 1268 CA ILE A 85 10.762 3.852 -5.913 1.00 0.54 C ATOM 1269 C ILE A 85 10.552 5.382 -5.920 1.00 0.50 C ATOM 1270 O ILE A 85 9.677 5.884 -5.207 1.00 0.50 O ATOM 1271 CB ILE A 85 11.735 3.409 -4.770 1.00 0.54 C ATOM 1272 CG1 ILE A 85 11.050 3.460 -3.395 1.00 0.52 C ATOM 1273 CG2 ILE A 85 13.028 4.231 -4.751 1.00 0.57 C ATOM 1274 CD1 ILE A 85 11.238 2.194 -2.588 1.00 0.57 C ATOM 0 H ILE A 85 12.142 2.871 -7.161 1.00 0.57 H new ATOM 0 HA ILE A 85 9.772 3.435 -5.727 1.00 0.54 H new ATOM 0 HB ILE A 85 12.006 2.375 -4.984 1.00 0.54 H new ATOM 0 HG12 ILE A 85 11.445 4.305 -2.831 1.00 0.52 H new ATOM 0 HG13 ILE A 85 9.984 3.640 -3.534 1.00 0.52 H new ATOM 0 HG21 ILE A 85 13.668 3.884 -3.940 1.00 0.57 H new ATOM 0 HG22 ILE A 85 13.549 4.112 -5.701 1.00 0.57 H new ATOM 0 HG23 ILE A 85 12.788 5.283 -4.599 1.00 0.57 H new ATOM 0 HD11 ILE A 85 10.730 2.295 -1.629 1.00 0.57 H new ATOM 0 HD12 ILE A 85 10.818 1.349 -3.134 1.00 0.57 H new ATOM 0 HD13 ILE A 85 12.301 2.024 -2.419 1.00 0.57 H new ATOM 1286 N ARG A 86 11.346 6.109 -6.716 1.00 0.50 N ATOM 1287 CA ARG A 86 11.242 7.558 -6.800 1.00 0.50 C ATOM 1288 C ARG A 86 10.011 7.989 -7.615 1.00 0.52 C ATOM 1289 O ARG A 86 9.421 9.040 -7.348 1.00 0.53 O ATOM 1290 CB ARG A 86 12.527 8.128 -7.396 1.00 0.54 C ATOM 1291 CG ARG A 86 13.802 7.765 -6.631 1.00 1.10 C ATOM 1292 CD ARG A 86 14.107 8.770 -5.528 1.00 1.26 C ATOM 1293 NE ARG A 86 15.340 8.437 -4.806 1.00 1.79 N ATOM 1294 CZ ARG A 86 15.966 9.253 -3.946 1.00 2.08 C ATOM 1295 NH1 ARG A 86 15.490 10.468 -3.678 1.00 1.78 N ATOM 1296 NH2 ARG A 86 17.078 8.847 -3.349 1.00 2.95 N ATOM 0 H ARG A 86 12.070 5.707 -7.312 1.00 0.50 H new ATOM 0 HA ARG A 86 11.111 7.957 -5.794 1.00 0.50 H new ATOM 0 HB2 ARG A 86 12.623 7.775 -8.423 1.00 0.54 H new ATOM 0 HB3 ARG A 86 12.441 9.214 -7.438 1.00 0.54 H new ATOM 0 HG2 ARG A 86 13.695 6.771 -6.197 1.00 1.10 H new ATOM 0 HG3 ARG A 86 14.642 7.721 -7.325 1.00 1.10 H new ATOM 0 HD2 ARG A 86 14.198 9.766 -5.961 1.00 1.26 H new ATOM 0 HD3 ARG A 86 13.274 8.802 -4.826 1.00 1.26 H new ATOM 0 HE ARG A 86 15.751 7.518 -4.970 1.00 1.79 H new ATOM 0 HH11 ARG A 86 14.635 10.792 -4.130 1.00 1.78 H new ATOM 0 HH12 ARG A 86 15.981 11.074 -3.021 1.00 1.78 H new ATOM 0 HH21 ARG A 86 17.452 7.919 -3.545 1.00 2.95 H new ATOM 0 HH22 ARG A 86 17.559 9.463 -2.694 1.00 2.95 H new ATOM 1310 N GLU A 87 9.639 7.164 -8.608 1.00 0.57 N ATOM 1311 CA GLU A 87 8.453 7.402 -9.445 1.00 0.63 C ATOM 1312 C GLU A 87 7.237 6.788 -8.770 1.00 0.62 C ATOM 1313 O GLU A 87 6.108 7.255 -8.943 1.00 0.65 O ATOM 1314 CB GLU A 87 8.644 6.815 -10.844 1.00 0.73 C ATOM 1315 CG GLU A 87 9.755 7.483 -11.643 1.00 0.77 C ATOM 1316 CD GLU A 87 9.967 6.840 -13.000 1.00 1.39 C ATOM 1317 OE1 GLU A 87 9.313 7.274 -13.971 1.00 2.08 O ATOM 1318 OE2 GLU A 87 10.788 5.903 -13.091 1.00 2.02 O ATOM 0 H GLU A 87 10.151 6.316 -8.852 1.00 0.57 H new ATOM 0 HA GLU A 87 8.304 8.476 -9.556 1.00 0.63 H new ATOM 0 HB2 GLU A 87 8.862 5.751 -10.755 1.00 0.73 H new ATOM 0 HB3 GLU A 87 7.708 6.903 -11.396 1.00 0.73 H new ATOM 0 HG2 GLU A 87 9.516 8.538 -11.779 1.00 0.77 H new ATOM 0 HG3 GLU A 87 10.684 7.437 -11.075 1.00 0.77 H new ATOM 1325 N ALA A 88 7.495 5.718 -8.002 1.00 0.60 N ATOM 1326 CA ALA A 88 6.474 5.051 -7.194 1.00 0.62 C ATOM 1327 C ALA A 88 6.076 5.989 -6.059 1.00 0.55 C ATOM 1328 O ALA A 88 5.063 5.796 -5.394 1.00 0.56 O ATOM 1329 CB ALA A 88 6.967 3.715 -6.676 1.00 0.70 C ATOM 0 H ALA A 88 8.420 5.294 -7.927 1.00 0.60 H new ATOM 0 HA ALA A 88 5.599 4.834 -7.807 1.00 0.62 H new ATOM 0 HB1 ALA A 88 6.185 3.245 -6.080 1.00 0.70 H new ATOM 0 HB2 ALA A 88 7.219 3.069 -7.517 1.00 0.70 H new ATOM 0 HB3 ALA A 88 7.852 3.868 -6.058 1.00 0.70 H new ATOM 1335 N PHE A 89 6.953 6.983 -5.826 1.00 0.51 N ATOM 1336 CA PHE A 89 6.717 8.054 -4.860 1.00 0.49 C ATOM 1337 C PHE A 89 5.672 8.980 -5.445 1.00 0.47 C ATOM 1338 O PHE A 89 4.774 9.459 -4.747 1.00 0.47 O ATOM 1339 CB PHE A 89 7.960 8.913 -4.645 1.00 0.51 C ATOM 1340 CG PHE A 89 8.004 9.586 -3.302 1.00 0.53 C ATOM 1341 CD1 PHE A 89 7.441 10.841 -3.132 1.00 1.27 C ATOM 1342 CD2 PHE A 89 8.593 8.966 -2.217 1.00 1.19 C ATOM 1343 CE1 PHE A 89 7.465 11.465 -1.904 1.00 1.29 C ATOM 1344 CE2 PHE A 89 8.623 9.584 -0.985 1.00 1.22 C ATOM 1345 CZ PHE A 89 8.056 10.839 -0.827 1.00 0.65 C ATOM 0 H PHE A 89 7.848 7.059 -6.309 1.00 0.51 H new ATOM 0 HA PHE A 89 6.420 7.595 -3.917 1.00 0.49 H new ATOM 0 HB2 PHE A 89 8.846 8.289 -4.758 1.00 0.51 H new ATOM 0 HB3 PHE A 89 8.004 9.674 -5.424 1.00 0.51 H new ATOM 0 HD1 PHE A 89 6.978 11.336 -3.973 1.00 1.27 H new ATOM 0 HD2 PHE A 89 9.034 7.987 -2.335 1.00 1.19 H new ATOM 0 HE1 PHE A 89 7.022 12.443 -1.785 1.00 1.29 H new ATOM 0 HE2 PHE A 89 9.088 9.091 -0.144 1.00 1.22 H new ATOM 0 HZ PHE A 89 8.077 11.325 0.137 1.00 0.65 H new ATOM 1355 N ARG A 90 5.820 9.217 -6.767 1.00 0.50 N ATOM 1356 CA ARG A 90 4.925 10.082 -7.511 1.00 0.54 C ATOM 1357 C ARG A 90 3.482 9.564 -7.477 1.00 0.54 C ATOM 1358 O ARG A 90 2.533 10.296 -7.770 1.00 0.60 O ATOM 1359 CB ARG A 90 5.409 10.203 -8.952 1.00 0.62 C ATOM 1360 CG ARG A 90 6.473 11.263 -9.154 1.00 1.26 C ATOM 1361 CD ARG A 90 7.035 11.196 -10.559 1.00 1.50 C ATOM 1362 NE ARG A 90 8.133 12.148 -10.763 1.00 2.03 N ATOM 1363 CZ ARG A 90 8.838 12.269 -11.897 1.00 2.50 C ATOM 1364 NH1 ARG A 90 8.578 11.504 -12.956 1.00 2.61 N ATOM 1365 NH2 ARG A 90 9.812 13.166 -11.970 1.00 3.17 N ATOM 0 H ARG A 90 6.565 8.808 -7.331 1.00 0.50 H new ATOM 0 HA ARG A 90 4.932 11.065 -7.040 1.00 0.54 H new ATOM 0 HB2 ARG A 90 5.804 9.240 -9.275 1.00 0.62 H new ATOM 0 HB3 ARG A 90 4.557 10.430 -9.593 1.00 0.62 H new ATOM 0 HG2 ARG A 90 6.049 12.251 -8.973 1.00 1.26 H new ATOM 0 HG3 ARG A 90 7.275 11.123 -8.429 1.00 1.26 H new ATOM 0 HD2 ARG A 90 7.391 10.185 -10.758 1.00 1.50 H new ATOM 0 HD3 ARG A 90 6.240 11.401 -11.276 1.00 1.50 H new ATOM 0 HE ARG A 90 8.377 12.762 -9.986 1.00 2.03 H new ATOM 0 HH11 ARG A 90 7.831 10.811 -12.913 1.00 2.61 H new ATOM 0 HH12 ARG A 90 9.126 11.612 -13.810 1.00 2.61 H new ATOM 0 HH21 ARG A 90 10.021 13.759 -11.166 1.00 3.17 H new ATOM 0 HH22 ARG A 90 10.352 13.263 -12.830 1.00 3.17 H new ATOM 1379 N VAL A 91 3.363 8.278 -7.119 1.00 0.51 N ATOM 1380 CA VAL A 91 2.095 7.560 -6.983 1.00 0.53 C ATOM 1381 C VAL A 91 1.074 8.344 -6.127 1.00 0.54 C ATOM 1382 O VAL A 91 -0.088 8.493 -6.516 1.00 0.60 O ATOM 1383 CB VAL A 91 2.386 6.149 -6.388 1.00 0.51 C ATOM 1384 CG1 VAL A 91 2.159 6.067 -4.877 1.00 0.47 C ATOM 1385 CG2 VAL A 91 1.606 5.090 -7.133 1.00 0.59 C ATOM 0 H VAL A 91 4.173 7.694 -6.911 1.00 0.51 H new ATOM 0 HA VAL A 91 1.637 7.452 -7.966 1.00 0.53 H new ATOM 0 HB VAL A 91 3.450 5.960 -6.529 1.00 0.51 H new ATOM 0 HG11 VAL A 91 2.380 5.058 -4.530 1.00 0.47 H new ATOM 0 HG12 VAL A 91 2.815 6.776 -4.372 1.00 0.47 H new ATOM 0 HG13 VAL A 91 1.120 6.309 -4.651 1.00 0.47 H new ATOM 0 HG21 VAL A 91 1.821 4.111 -6.705 1.00 0.59 H new ATOM 0 HG22 VAL A 91 0.539 5.297 -7.048 1.00 0.59 H new ATOM 0 HG23 VAL A 91 1.895 5.097 -8.184 1.00 0.59 H new ATOM 1395 N PHE A 92 1.538 8.831 -4.967 1.00 0.49 N ATOM 1396 CA PHE A 92 0.722 9.620 -4.070 1.00 0.54 C ATOM 1397 C PHE A 92 1.147 11.080 -4.172 1.00 0.60 C ATOM 1398 O PHE A 92 0.321 11.990 -4.052 1.00 0.69 O ATOM 1399 CB PHE A 92 0.812 9.128 -2.609 1.00 0.53 C ATOM 1400 CG PHE A 92 0.010 9.966 -1.638 1.00 1.18 C ATOM 1401 CD1 PHE A 92 -1.379 9.917 -1.629 1.00 1.94 C ATOM 1402 CD2 PHE A 92 0.650 10.819 -0.755 1.00 1.92 C ATOM 1403 CE1 PHE A 92 -2.108 10.703 -0.759 1.00 2.69 C ATOM 1404 CE2 PHE A 92 -0.074 11.603 0.119 1.00 2.68 C ATOM 1405 CZ PHE A 92 -1.455 11.546 0.117 1.00 2.89 C ATOM 0 H PHE A 92 2.491 8.682 -4.636 1.00 0.49 H new ATOM 0 HA PHE A 92 -0.320 9.511 -4.370 1.00 0.54 H new ATOM 0 HB2 PHE A 92 0.464 8.096 -2.560 1.00 0.53 H new ATOM 0 HB3 PHE A 92 1.857 9.127 -2.298 1.00 0.53 H new ATOM 0 HD1 PHE A 92 -1.894 9.256 -2.311 1.00 1.94 H new ATOM 0 HD2 PHE A 92 1.729 10.871 -0.750 1.00 1.92 H new ATOM 0 HE1 PHE A 92 -3.187 10.658 -0.764 1.00 2.69 H new ATOM 0 HE2 PHE A 92 0.438 12.261 0.805 1.00 2.68 H new ATOM 0 HZ PHE A 92 -2.022 12.161 0.800 1.00 2.89 H new ATOM 1415 N ALA A 93 2.457 11.280 -4.391 1.00 0.57 N ATOM 1416 CA ALA A 93 3.051 12.618 -4.534 1.00 0.66 C ATOM 1417 C ALA A 93 2.379 13.419 -5.639 1.00 0.85 C ATOM 1418 O ALA A 93 1.917 12.843 -6.630 1.00 1.63 O ATOM 1419 CB ALA A 93 4.532 12.526 -4.867 1.00 0.65 C ATOM 0 H ALA A 93 3.132 10.520 -4.474 1.00 0.57 H new ATOM 0 HA ALA A 93 2.906 13.119 -3.577 1.00 0.66 H new ATOM 0 HB1 ALA A 93 4.945 13.530 -4.967 1.00 0.65 H new ATOM 0 HB2 ALA A 93 5.052 11.997 -4.068 1.00 0.65 H new ATOM 0 HB3 ALA A 93 4.661 11.985 -5.805 1.00 0.65 H new ATOM 1425 N LYS A 94 2.324 14.738 -5.466 1.00 1.24 N ATOM 1426 CA LYS A 94 1.737 15.592 -6.484 1.00 1.42 C ATOM 1427 C LYS A 94 2.799 16.409 -7.178 1.00 1.36 C ATOM 1428 O LYS A 94 3.179 17.505 -6.748 1.00 1.78 O ATOM 1429 CB LYS A 94 0.596 16.466 -5.963 1.00 1.75 C ATOM 1430 CG LYS A 94 0.893 17.229 -4.673 1.00 2.06 C ATOM 1431 CD LYS A 94 -0.296 18.070 -4.237 1.00 2.52 C ATOM 1432 CE LYS A 94 0.002 18.833 -2.956 1.00 2.90 C ATOM 1433 NZ LYS A 94 -1.156 19.661 -2.521 1.00 3.37 N ATOM 0 H LYS A 94 2.674 15.228 -4.643 1.00 1.24 H new ATOM 0 HA LYS A 94 1.280 14.929 -7.219 1.00 1.42 H new ATOM 0 HB2 LYS A 94 0.329 17.185 -6.737 1.00 1.75 H new ATOM 0 HB3 LYS A 94 -0.277 15.835 -5.799 1.00 1.75 H new ATOM 0 HG2 LYS A 94 1.150 16.524 -3.883 1.00 2.06 H new ATOM 0 HG3 LYS A 94 1.760 17.872 -4.821 1.00 2.06 H new ATOM 0 HD2 LYS A 94 -0.556 18.773 -5.029 1.00 2.52 H new ATOM 0 HD3 LYS A 94 -1.162 17.426 -4.085 1.00 2.52 H new ATOM 0 HE2 LYS A 94 0.262 18.128 -2.166 1.00 2.90 H new ATOM 0 HE3 LYS A 94 0.870 19.474 -3.109 1.00 2.90 H new ATOM 0 HZ1 LYS A 94 -0.913 20.165 -1.645 1.00 3.37 H new ATOM 0 HZ2 LYS A 94 -1.388 20.351 -3.264 1.00 3.37 H new ATOM 0 HZ3 LYS A 94 -1.977 19.046 -2.350 1.00 3.37 H new ATOM 1447 N ASP A 95 3.290 15.799 -8.256 1.00 1.40 N ATOM 1448 CA ASP A 95 4.349 16.354 -9.133 1.00 1.71 C ATOM 1449 C ASP A 95 5.706 16.274 -8.434 1.00 1.53 C ATOM 1450 O ASP A 95 6.739 16.660 -8.994 1.00 1.84 O ATOM 1451 CB ASP A 95 4.052 17.806 -9.567 1.00 2.30 C ATOM 1452 CG ASP A 95 2.835 17.908 -10.467 1.00 2.81 C ATOM 1453 OD1 ASP A 95 3.000 17.821 -11.702 1.00 3.23 O ATOM 1454 OD2 ASP A 95 1.717 18.075 -9.936 1.00 3.21 O ATOM 0 H ASP A 95 2.962 14.883 -8.561 1.00 1.40 H new ATOM 0 HA ASP A 95 4.371 15.748 -10.039 1.00 1.71 H new ATOM 0 HB2 ASP A 95 3.897 18.422 -8.681 1.00 2.30 H new ATOM 0 HB3 ASP A 95 4.920 18.210 -10.088 1.00 2.30 H new ATOM 1459 N GLY A 96 5.676 15.749 -7.202 1.00 1.38 N ATOM 1460 CA GLY A 96 6.881 15.609 -6.399 1.00 1.83 C ATOM 1461 C GLY A 96 7.168 16.839 -5.572 1.00 1.85 C ATOM 1462 O GLY A 96 8.206 17.486 -5.735 1.00 2.43 O ATOM 0 H GLY A 96 4.826 15.416 -6.746 1.00 1.38 H new ATOM 0 HA2 GLY A 96 6.777 14.747 -5.740 1.00 1.83 H new ATOM 0 HA3 GLY A 96 7.729 15.409 -7.054 1.00 1.83 H new ATOM 1466 N ASN A 97 6.229 17.148 -4.683 1.00 1.55 N ATOM 1467 CA ASN A 97 6.318 18.304 -3.782 1.00 1.99 C ATOM 1468 C ASN A 97 7.567 18.228 -2.889 1.00 1.78 C ATOM 1469 O ASN A 97 8.172 19.255 -2.567 1.00 2.66 O ATOM 1470 CB ASN A 97 5.049 18.391 -2.924 1.00 2.43 C ATOM 1471 CG ASN A 97 4.784 19.793 -2.400 1.00 3.41 C ATOM 1472 OD1 ASN A 97 5.242 20.162 -1.319 1.00 4.01 O ATOM 1473 ND2 ASN A 97 4.039 20.580 -3.168 1.00 4.00 N ATOM 0 H ASN A 97 5.376 16.602 -4.563 1.00 1.55 H new ATOM 0 HA ASN A 97 6.405 19.205 -4.390 1.00 1.99 H new ATOM 0 HB2 ASN A 97 4.194 18.062 -3.514 1.00 2.43 H new ATOM 0 HB3 ASN A 97 5.138 17.705 -2.082 1.00 2.43 H new ATOM 0 HD21 ASN A 97 3.826 21.532 -2.869 1.00 4.00 H new ATOM 0 HD22 ASN A 97 3.680 20.233 -4.057 1.00 4.00 H new ATOM 1480 N GLY A 98 7.933 17.001 -2.505 1.00 1.20 N ATOM 1481 CA GLY A 98 9.108 16.779 -1.684 1.00 1.80 C ATOM 1482 C GLY A 98 8.776 16.389 -0.261 1.00 1.46 C ATOM 1483 O GLY A 98 9.114 15.286 0.170 1.00 1.68 O ATOM 0 H GLY A 98 7.426 16.151 -2.754 1.00 1.20 H new ATOM 0 HA2 GLY A 98 9.716 15.996 -2.136 1.00 1.80 H new ATOM 0 HA3 GLY A 98 9.713 17.686 -1.674 1.00 1.80 H new ATOM 1487 N TYR A 99 8.074 17.275 0.446 1.00 1.07 N ATOM 1488 CA TYR A 99 7.718 17.048 1.853 1.00 0.84 C ATOM 1489 C TYR A 99 6.242 16.648 1.998 1.00 0.81 C ATOM 1490 O TYR A 99 5.340 17.459 1.762 1.00 0.96 O ATOM 1491 CB TYR A 99 8.033 18.301 2.703 1.00 1.07 C ATOM 1492 CG TYR A 99 7.468 19.609 2.166 1.00 1.57 C ATOM 1493 CD1 TYR A 99 8.127 20.317 1.168 1.00 2.28 C ATOM 1494 CD2 TYR A 99 6.280 20.131 2.664 1.00 2.37 C ATOM 1495 CE1 TYR A 99 7.619 21.507 0.682 1.00 3.13 C ATOM 1496 CE2 TYR A 99 5.765 21.319 2.182 1.00 3.24 C ATOM 1497 CZ TYR A 99 6.438 22.003 1.191 1.00 3.46 C ATOM 1498 OH TYR A 99 5.928 23.186 0.709 1.00 4.47 O ATOM 0 H TYR A 99 7.738 18.161 0.068 1.00 1.07 H new ATOM 0 HA TYR A 99 8.323 16.220 2.222 1.00 0.84 H new ATOM 0 HB2 TYR A 99 7.647 18.143 3.710 1.00 1.07 H new ATOM 0 HB3 TYR A 99 9.115 18.399 2.789 1.00 1.07 H new ATOM 0 HD1 TYR A 99 9.052 19.931 0.765 1.00 2.28 H new ATOM 0 HD2 TYR A 99 5.751 19.599 3.441 1.00 2.37 H new ATOM 0 HE1 TYR A 99 8.145 22.045 -0.093 1.00 3.13 H new ATOM 0 HE2 TYR A 99 4.840 21.710 2.579 1.00 3.24 H new ATOM 0 HH TYR A 99 5.090 23.394 1.173 1.00 4.47 H new ATOM 1508 N ILE A 100 6.015 15.381 2.368 1.00 1.17 N ATOM 1509 CA ILE A 100 4.659 14.845 2.553 1.00 1.39 C ATOM 1510 C ILE A 100 4.528 14.081 3.881 1.00 1.13 C ATOM 1511 O ILE A 100 5.128 13.018 4.061 1.00 1.43 O ATOM 1512 CB ILE A 100 4.205 13.949 1.361 1.00 2.12 C ATOM 1513 CG1 ILE A 100 5.311 12.963 0.920 1.00 2.36 C ATOM 1514 CG2 ILE A 100 3.773 14.835 0.193 1.00 2.84 C ATOM 1515 CD1 ILE A 100 4.790 11.710 0.238 1.00 3.08 C ATOM 0 H ILE A 100 6.757 14.704 2.546 1.00 1.17 H new ATOM 0 HA ILE A 100 3.993 15.707 2.586 1.00 1.39 H new ATOM 0 HB ILE A 100 3.360 13.346 1.693 1.00 2.12 H new ATOM 0 HG12 ILE A 100 5.991 13.477 0.241 1.00 2.36 H new ATOM 0 HG13 ILE A 100 5.893 12.672 1.794 1.00 2.36 H new ATOM 0 HG21 ILE A 100 3.455 14.209 -0.641 1.00 2.84 H new ATOM 0 HG22 ILE A 100 2.944 15.471 0.505 1.00 2.84 H new ATOM 0 HG23 ILE A 100 4.611 15.458 -0.120 1.00 2.84 H new ATOM 0 HD11 ILE A 100 5.629 11.072 -0.040 1.00 3.08 H new ATOM 0 HD12 ILE A 100 4.134 11.170 0.921 1.00 3.08 H new ATOM 0 HD13 ILE A 100 4.233 11.988 -0.657 1.00 3.08 H new ATOM 1527 N SER A 101 3.714 14.637 4.794 1.00 0.79 N ATOM 1528 CA SER A 101 3.477 14.080 6.131 1.00 0.64 C ATOM 1529 C SER A 101 2.858 12.698 6.141 1.00 0.64 C ATOM 1530 O SER A 101 2.186 12.280 5.196 1.00 0.70 O ATOM 1531 CB SER A 101 2.562 15.026 6.923 1.00 0.71 C ATOM 1532 OG SER A 101 2.902 16.385 6.708 1.00 1.45 O ATOM 0 H SER A 101 3.196 15.498 4.619 1.00 0.79 H new ATOM 0 HA SER A 101 4.463 13.983 6.586 1.00 0.64 H new ATOM 0 HB2 SER A 101 1.525 14.859 6.630 1.00 0.71 H new ATOM 0 HB3 SER A 101 2.634 14.797 7.986 1.00 0.71 H new ATOM 0 HG SER A 101 2.299 16.959 7.225 1.00 1.45 H new ATOM 1538 N ALA A 102 3.127 12.000 7.254 1.00 0.72 N ATOM 1539 CA ALA A 102 2.565 10.686 7.529 1.00 0.83 C ATOM 1540 C ALA A 102 1.095 10.875 7.891 1.00 0.77 C ATOM 1541 O ALA A 102 0.314 9.925 7.937 1.00 0.87 O ATOM 1542 CB ALA A 102 3.321 10.001 8.654 1.00 1.01 C ATOM 0 H ALA A 102 3.746 12.341 7.989 1.00 0.72 H new ATOM 0 HA ALA A 102 2.653 10.046 6.651 1.00 0.83 H new ATOM 0 HB1 ALA A 102 2.883 9.021 8.842 1.00 1.01 H new ATOM 0 HB2 ALA A 102 4.367 9.883 8.371 1.00 1.01 H new ATOM 0 HB3 ALA A 102 3.256 10.607 9.558 1.00 1.01 H new ATOM 1548 N ALA A 103 0.749 12.150 8.157 1.00 0.68 N ATOM 1549 CA ALA A 103 -0.623 12.558 8.474 1.00 0.71 C ATOM 1550 C ALA A 103 -1.480 12.504 7.206 1.00 0.64 C ATOM 1551 O ALA A 103 -2.712 12.492 7.267 1.00 0.71 O ATOM 1552 CB ALA A 103 -0.638 13.957 9.072 1.00 0.84 C ATOM 0 H ALA A 103 1.416 12.921 8.157 1.00 0.68 H new ATOM 0 HA ALA A 103 -1.038 11.871 9.212 1.00 0.71 H new ATOM 0 HB1 ALA A 103 -1.664 14.244 9.301 1.00 0.84 H new ATOM 0 HB2 ALA A 103 -0.045 13.968 9.987 1.00 0.84 H new ATOM 0 HB3 ALA A 103 -0.215 14.663 8.357 1.00 0.84 H new ATOM 1558 N GLU A 104 -0.781 12.473 6.055 1.00 0.59 N ATOM 1559 CA GLU A 104 -1.390 12.385 4.731 1.00 0.69 C ATOM 1560 C GLU A 104 -2.044 11.025 4.500 1.00 0.67 C ATOM 1561 O GLU A 104 -2.820 10.871 3.557 1.00 0.74 O ATOM 1562 CB GLU A 104 -0.382 12.715 3.650 1.00 0.85 C ATOM 1563 CG GLU A 104 -0.099 14.209 3.559 1.00 0.99 C ATOM 1564 CD GLU A 104 0.664 14.613 2.313 1.00 1.24 C ATOM 1565 OE1 GLU A 104 0.175 14.343 1.195 1.00 1.81 O ATOM 1566 OE2 GLU A 104 1.740 15.225 2.456 1.00 1.65 O ATOM 0 H GLU A 104 0.238 12.509 6.028 1.00 0.59 H new ATOM 0 HA GLU A 104 -2.185 13.129 4.680 1.00 0.69 H new ATOM 0 HB2 GLU A 104 0.548 12.183 3.849 1.00 0.85 H new ATOM 0 HB3 GLU A 104 -0.753 12.359 2.689 1.00 0.85 H new ATOM 0 HG2 GLU A 104 -1.045 14.751 3.586 1.00 0.99 H new ATOM 0 HG3 GLU A 104 0.469 14.516 4.437 1.00 0.99 H new ATOM 1573 N LEU A 105 -1.675 10.020 5.334 1.00 0.68 N ATOM 1574 CA LEU A 105 -2.280 8.685 5.290 1.00 0.80 C ATOM 1575 C LEU A 105 -3.792 8.769 5.217 1.00 0.68 C ATOM 1576 O LEU A 105 -4.449 8.037 4.473 1.00 0.69 O ATOM 1577 CB LEU A 105 -1.876 7.903 6.534 1.00 1.07 C ATOM 1578 CG LEU A 105 -0.830 6.829 6.318 1.00 1.38 C ATOM 1579 CD1 LEU A 105 0.421 7.129 7.122 1.00 1.58 C ATOM 1580 CD2 LEU A 105 -1.415 5.481 6.693 1.00 1.81 C ATOM 0 H LEU A 105 -0.953 10.121 6.048 1.00 0.68 H new ATOM 0 HA LEU A 105 -1.921 8.177 4.395 1.00 0.80 H new ATOM 0 HB2 LEU A 105 -1.501 8.606 7.278 1.00 1.07 H new ATOM 0 HB3 LEU A 105 -2.767 7.438 6.955 1.00 1.07 H new ATOM 0 HG LEU A 105 -0.542 6.808 5.267 1.00 1.38 H new ATOM 0 HD11 LEU A 105 1.159 6.345 6.952 1.00 1.58 H new ATOM 0 HD12 LEU A 105 0.833 8.089 6.810 1.00 1.58 H new ATOM 0 HD13 LEU A 105 0.171 7.169 8.182 1.00 1.58 H new ATOM 0 HD21 LEU A 105 -0.666 4.704 6.539 1.00 1.81 H new ATOM 0 HD22 LEU A 105 -1.715 5.493 7.741 1.00 1.81 H new ATOM 0 HD23 LEU A 105 -2.285 5.275 6.069 1.00 1.81 H new ATOM 1592 N ARG A 106 -4.301 9.703 5.999 1.00 0.65 N ATOM 1593 CA ARG A 106 -5.710 10.030 6.084 1.00 0.68 C ATOM 1594 C ARG A 106 -6.237 10.427 4.696 1.00 0.66 C ATOM 1595 O ARG A 106 -7.374 10.107 4.339 1.00 0.74 O ATOM 1596 CB ARG A 106 -5.810 11.178 7.083 1.00 0.79 C ATOM 1597 CG ARG A 106 -7.117 11.970 7.078 1.00 0.97 C ATOM 1598 CD ARG A 106 -7.109 13.063 8.135 1.00 1.46 C ATOM 1599 NE ARG A 106 -8.363 13.824 8.148 1.00 1.70 N ATOM 1600 CZ ARG A 106 -8.678 14.761 9.055 1.00 2.20 C ATOM 1601 NH1 ARG A 106 -7.841 15.074 10.042 1.00 2.54 N ATOM 1602 NH2 ARG A 106 -9.843 15.388 8.970 1.00 2.39 N ATOM 0 H ARG A 106 -3.722 10.275 6.614 1.00 0.65 H new ATOM 0 HA ARG A 106 -6.316 9.186 6.414 1.00 0.68 H new ATOM 0 HB2 ARG A 106 -5.659 10.774 8.084 1.00 0.79 H new ATOM 0 HB3 ARG A 106 -4.990 11.870 6.891 1.00 0.79 H new ATOM 0 HG2 ARG A 106 -7.271 12.414 6.095 1.00 0.97 H new ATOM 0 HG3 ARG A 106 -7.954 11.295 7.257 1.00 0.97 H new ATOM 0 HD2 ARG A 106 -6.945 12.617 9.116 1.00 1.46 H new ATOM 0 HD3 ARG A 106 -6.276 13.741 7.950 1.00 1.46 H new ATOM 0 HE ARG A 106 -9.044 13.627 7.415 1.00 1.70 H new ATOM 0 HH11 ARG A 106 -6.942 14.598 10.118 1.00 2.54 H new ATOM 0 HH12 ARG A 106 -8.099 15.789 10.722 1.00 2.54 H new ATOM 0 HH21 ARG A 106 -10.493 15.157 8.219 1.00 2.39 H new ATOM 0 HH22 ARG A 106 -10.089 16.102 9.656 1.00 2.39 H new ATOM 1616 N HIS A 107 -5.381 11.126 3.927 1.00 0.67 N ATOM 1617 CA HIS A 107 -5.719 11.557 2.571 1.00 0.82 C ATOM 1618 C HIS A 107 -5.642 10.403 1.564 1.00 0.87 C ATOM 1619 O HIS A 107 -6.437 10.359 0.625 1.00 1.00 O ATOM 1620 CB HIS A 107 -4.789 12.691 2.146 1.00 0.94 C ATOM 1621 CG HIS A 107 -5.188 14.028 2.688 1.00 1.07 C ATOM 1622 ND1 HIS A 107 -4.587 14.605 3.788 1.00 1.56 N ATOM 1623 CD2 HIS A 107 -6.132 14.907 2.274 1.00 1.61 C ATOM 1624 CE1 HIS A 107 -5.145 15.779 4.028 1.00 1.49 C ATOM 1625 NE2 HIS A 107 -6.084 15.985 3.123 1.00 1.46 N ATOM 0 H HIS A 107 -4.447 11.402 4.230 1.00 0.67 H new ATOM 0 HA HIS A 107 -6.750 11.910 2.580 1.00 0.82 H new ATOM 0 HB2 HIS A 107 -3.776 12.462 2.476 1.00 0.94 H new ATOM 0 HB3 HIS A 107 -4.765 12.742 1.057 1.00 0.94 H new ATOM 0 HD2 HIS A 107 -6.798 14.783 1.433 1.00 1.61 H new ATOM 0 HE1 HIS A 107 -4.878 16.454 4.828 1.00 1.49 H new ATOM 0 HE2 HIS A 107 -6.678 16.812 3.064 1.00 1.46 H new ATOM 1634 N VAL A 108 -4.684 9.476 1.761 1.00 0.90 N ATOM 1635 CA VAL A 108 -4.526 8.309 0.869 1.00 1.11 C ATOM 1636 C VAL A 108 -5.743 7.370 0.959 1.00 0.96 C ATOM 1637 O VAL A 108 -6.156 6.787 -0.048 1.00 0.99 O ATOM 1638 CB VAL A 108 -3.249 7.450 1.160 1.00 1.41 C ATOM 1639 CG1 VAL A 108 -2.895 6.585 -0.049 1.00 2.42 C ATOM 1640 CG2 VAL A 108 -2.037 8.288 1.548 1.00 0.86 C ATOM 0 H VAL A 108 -4.010 9.512 2.526 1.00 0.90 H new ATOM 0 HA VAL A 108 -4.430 8.742 -0.127 1.00 1.11 H new ATOM 0 HB VAL A 108 -3.499 6.821 2.014 1.00 1.41 H new ATOM 0 HG11 VAL A 108 -2.005 5.996 0.173 1.00 2.42 H new ATOM 0 HG12 VAL A 108 -3.726 5.916 -0.274 1.00 2.42 H new ATOM 0 HG13 VAL A 108 -2.701 7.225 -0.910 1.00 2.42 H new ATOM 0 HG21 VAL A 108 -1.187 7.633 1.736 1.00 0.86 H new ATOM 0 HG22 VAL A 108 -1.794 8.974 0.736 1.00 0.86 H new ATOM 0 HG23 VAL A 108 -2.262 8.858 2.449 1.00 0.86 H new ATOM 1650 N MET A 109 -6.306 7.237 2.172 1.00 0.88 N ATOM 1651 CA MET A 109 -7.457 6.354 2.409 1.00 0.80 C ATOM 1652 C MET A 109 -8.776 6.988 1.968 1.00 0.72 C ATOM 1653 O MET A 109 -9.647 6.296 1.440 1.00 0.73 O ATOM 1654 CB MET A 109 -7.486 5.879 3.886 1.00 0.80 C ATOM 1655 CG MET A 109 -7.741 6.974 4.915 1.00 1.72 C ATOM 1656 SD MET A 109 -7.398 6.446 6.613 1.00 2.24 S ATOM 1657 CE MET A 109 -5.611 6.254 6.593 1.00 3.24 C ATOM 0 H MET A 109 -5.981 7.731 3.003 1.00 0.88 H new ATOM 0 HA MET A 109 -7.334 5.470 1.783 1.00 0.80 H new ATOM 0 HB2 MET A 109 -8.258 5.117 3.991 1.00 0.80 H new ATOM 0 HB3 MET A 109 -6.534 5.401 4.116 1.00 0.80 H new ATOM 0 HG2 MET A 109 -7.122 7.839 4.678 1.00 1.72 H new ATOM 0 HG3 MET A 109 -8.780 7.297 4.844 1.00 1.72 H new ATOM 0 HE1 MET A 109 -5.333 5.377 7.178 1.00 3.24 H new ATOM 0 HE2 MET A 109 -5.270 6.128 5.565 1.00 3.24 H new ATOM 0 HE3 MET A 109 -5.145 7.140 7.023 1.00 3.24 H new ATOM 1667 N THR A 110 -8.898 8.300 2.154 1.00 0.72 N ATOM 1668 CA THR A 110 -10.098 9.034 1.736 1.00 0.77 C ATOM 1669 C THR A 110 -9.994 9.327 0.238 1.00 0.89 C ATOM 1670 O THR A 110 -10.996 9.656 -0.405 1.00 0.97 O ATOM 1671 CB THR A 110 -10.293 10.341 2.544 1.00 0.83 C ATOM 1672 OG1 THR A 110 -10.015 10.104 3.930 1.00 0.78 O ATOM 1673 CG2 THR A 110 -11.715 10.884 2.411 1.00 0.97 C ATOM 0 H THR A 110 -8.182 8.880 2.591 1.00 0.72 H new ATOM 0 HA THR A 110 -10.974 8.417 1.935 1.00 0.77 H new ATOM 0 HB THR A 110 -9.602 11.080 2.139 1.00 0.83 H new ATOM 0 HG1 THR A 110 -9.114 10.427 4.143 1.00 0.78 H new ATOM 0 HG21 THR A 110 -11.810 11.801 2.992 1.00 0.97 H new ATOM 0 HG22 THR A 110 -11.927 11.095 1.363 1.00 0.97 H new ATOM 0 HG23 THR A 110 -12.423 10.144 2.783 1.00 0.97 H new ATOM 1681 N ASN A 111 -8.758 9.220 -0.305 1.00 0.96 N ATOM 1682 CA ASN A 111 -8.523 9.362 -1.748 1.00 1.14 C ATOM 1683 C ASN A 111 -9.341 8.267 -2.437 1.00 1.13 C ATOM 1684 O ASN A 111 -9.835 8.437 -3.555 1.00 1.24 O ATOM 1685 CB ASN A 111 -7.033 9.214 -2.081 1.00 1.26 C ATOM 1686 CG ASN A 111 -6.658 9.875 -3.396 1.00 1.50 C ATOM 1687 OD1 ASN A 111 -6.760 9.123 -4.484 1.00 2.08 O flip ATOM 1688 ND2 ASN A 111 -6.283 11.047 -3.431 1.00 1.85 N flip ATOM 0 H ASN A 111 -7.915 9.036 0.239 1.00 0.96 H new ATOM 0 HA ASN A 111 -8.825 10.352 -2.091 1.00 1.14 H new ATOM 0 HB2 ASN A 111 -6.440 9.651 -1.277 1.00 1.26 H new ATOM 0 HB3 ASN A 111 -6.778 8.155 -2.126 1.00 1.26 H new ATOM 0 HD21 ASN A 111 -6.220 11.588 -2.569 1.00 1.85 H new ATOM 0 HD22 ASN A 111 -6.036 11.477 -4.322 1.00 1.85 H new ATOM 1695 N LEU A 112 -9.459 7.134 -1.715 1.00 1.02 N ATOM 1696 CA LEU A 112 -10.282 6.010 -2.130 1.00 1.04 C ATOM 1697 C LEU A 112 -11.665 6.167 -1.478 1.00 0.95 C ATOM 1698 O LEU A 112 -12.647 5.561 -1.917 1.00 1.02 O ATOM 1699 CB LEU A 112 -9.639 4.681 -1.709 1.00 1.07 C ATOM 1700 CG LEU A 112 -8.350 4.304 -2.451 1.00 1.23 C ATOM 1701 CD1 LEU A 112 -7.452 3.460 -1.560 1.00 1.21 C ATOM 1702 CD2 LEU A 112 -8.666 3.556 -3.742 1.00 1.54 C ATOM 0 H LEU A 112 -8.980 6.985 -0.827 1.00 1.02 H new ATOM 0 HA LEU A 112 -10.376 5.999 -3.216 1.00 1.04 H new ATOM 0 HB2 LEU A 112 -9.423 4.725 -0.641 1.00 1.07 H new ATOM 0 HB3 LEU A 112 -10.367 3.883 -1.855 1.00 1.07 H new ATOM 0 HG LEU A 112 -7.825 5.224 -2.708 1.00 1.23 H new ATOM 0 HD11 LEU A 112 -6.542 3.201 -2.101 1.00 1.21 H new ATOM 0 HD12 LEU A 112 -7.193 4.025 -0.665 1.00 1.21 H new ATOM 0 HD13 LEU A 112 -7.976 2.548 -1.275 1.00 1.21 H new ATOM 0 HD21 LEU A 112 -7.737 3.299 -4.251 1.00 1.54 H new ATOM 0 HD22 LEU A 112 -9.216 2.644 -3.509 1.00 1.54 H new ATOM 0 HD23 LEU A 112 -9.272 4.189 -4.390 1.00 1.54 H new ATOM 1714 N GLY A 113 -11.706 7.003 -0.414 1.00 0.83 N ATOM 1715 CA GLY A 113 -12.941 7.295 0.311 1.00 0.82 C ATOM 1716 C GLY A 113 -13.258 6.295 1.399 1.00 0.76 C ATOM 1717 O GLY A 113 -14.425 6.029 1.701 1.00 0.82 O ATOM 0 H GLY A 113 -10.886 7.485 -0.045 1.00 0.83 H new ATOM 0 HA2 GLY A 113 -12.866 8.288 0.753 1.00 0.82 H new ATOM 0 HA3 GLY A 113 -13.769 7.323 -0.397 1.00 0.82 H new ATOM 1721 N GLU A 114 -12.199 5.753 1.974 1.00 0.70 N ATOM 1722 CA GLU A 114 -12.258 4.751 3.032 1.00 0.70 C ATOM 1723 C GLU A 114 -12.928 5.279 4.287 1.00 0.73 C ATOM 1724 O GLU A 114 -12.809 6.462 4.621 1.00 0.73 O ATOM 1725 CB GLU A 114 -10.848 4.335 3.389 1.00 0.70 C ATOM 1726 CG GLU A 114 -10.240 3.322 2.429 1.00 0.79 C ATOM 1727 CD GLU A 114 -8.840 2.901 2.833 1.00 1.18 C ATOM 1728 OE1 GLU A 114 -7.874 3.354 2.184 1.00 1.44 O ATOM 1729 OE2 GLU A 114 -8.710 2.119 3.798 1.00 2.12 O ATOM 0 H GLU A 114 -11.245 6.003 1.713 1.00 0.70 H new ATOM 0 HA GLU A 114 -12.845 3.911 2.659 1.00 0.70 H new ATOM 0 HB2 GLU A 114 -10.214 5.221 3.415 1.00 0.70 H new ATOM 0 HB3 GLU A 114 -10.848 3.913 4.394 1.00 0.70 H new ATOM 0 HG2 GLU A 114 -10.881 2.441 2.382 1.00 0.79 H new ATOM 0 HG3 GLU A 114 -10.212 3.749 1.426 1.00 0.79 H new ATOM 1736 N LYS A 115 -13.628 4.383 4.968 1.00 0.82 N ATOM 1737 CA LYS A 115 -14.331 4.705 6.165 1.00 0.92 C ATOM 1738 C LYS A 115 -13.688 4.056 7.380 1.00 1.06 C ATOM 1739 O LYS A 115 -13.659 2.829 7.524 1.00 1.21 O ATOM 1740 CB LYS A 115 -15.770 4.289 6.023 1.00 1.04 C ATOM 1741 CG LYS A 115 -16.492 4.994 4.875 1.00 1.05 C ATOM 1742 CD LYS A 115 -17.690 4.195 4.374 1.00 1.31 C ATOM 1743 CE LYS A 115 -17.329 3.320 3.180 1.00 1.23 C ATOM 1744 NZ LYS A 115 -18.497 2.537 2.690 1.00 1.56 N ATOM 0 H LYS A 115 -13.714 3.406 4.688 1.00 0.82 H new ATOM 0 HA LYS A 115 -14.285 5.783 6.322 1.00 0.92 H new ATOM 0 HB2 LYS A 115 -15.816 3.212 5.865 1.00 1.04 H new ATOM 0 HB3 LYS A 115 -16.295 4.497 6.955 1.00 1.04 H new ATOM 0 HG2 LYS A 115 -16.826 5.977 5.207 1.00 1.05 H new ATOM 0 HG3 LYS A 115 -15.795 5.155 4.053 1.00 1.05 H new ATOM 0 HD2 LYS A 115 -18.072 3.569 5.181 1.00 1.31 H new ATOM 0 HD3 LYS A 115 -18.491 4.879 4.094 1.00 1.31 H new ATOM 0 HE2 LYS A 115 -16.948 3.946 2.373 1.00 1.23 H new ATOM 0 HE3 LYS A 115 -16.526 2.638 3.460 1.00 1.23 H new ATOM 0 HZ1 LYS A 115 -18.209 1.955 1.878 1.00 1.56 H new ATOM 0 HZ2 LYS A 115 -18.845 1.920 3.451 1.00 1.56 H new ATOM 0 HZ3 LYS A 115 -19.254 3.188 2.398 1.00 1.56 H new ATOM 1758 N LEU A 116 -13.166 4.920 8.230 1.00 1.10 N ATOM 1759 CA LEU A 116 -12.478 4.546 9.447 1.00 1.28 C ATOM 1760 C LEU A 116 -12.981 5.363 10.639 1.00 1.19 C ATOM 1761 O LEU A 116 -13.694 6.356 10.452 1.00 1.19 O ATOM 1762 CB LEU A 116 -10.953 4.734 9.233 1.00 1.54 C ATOM 1763 CG LEU A 116 -10.393 6.093 8.683 1.00 2.66 C ATOM 1764 CD1 LEU A 116 -10.723 6.292 7.207 1.00 3.26 C ATOM 1765 CD2 LEU A 116 -10.845 7.306 9.497 1.00 3.12 C ATOM 0 H LEU A 116 -13.211 5.929 8.087 1.00 1.10 H new ATOM 0 HA LEU A 116 -12.683 3.500 9.676 1.00 1.28 H new ATOM 0 HB2 LEU A 116 -10.467 4.549 10.191 1.00 1.54 H new ATOM 0 HB3 LEU A 116 -10.623 3.950 8.552 1.00 1.54 H new ATOM 0 HG LEU A 116 -9.311 6.021 8.789 1.00 2.66 H new ATOM 0 HD11 LEU A 116 -10.316 7.245 6.869 1.00 3.26 H new ATOM 0 HD12 LEU A 116 -10.284 5.483 6.624 1.00 3.26 H new ATOM 0 HD13 LEU A 116 -11.805 6.291 7.073 1.00 3.26 H new ATOM 0 HD21 LEU A 116 -10.423 8.213 9.064 1.00 3.12 H new ATOM 0 HD22 LEU A 116 -11.933 7.369 9.482 1.00 3.12 H new ATOM 0 HD23 LEU A 116 -10.502 7.202 10.526 1.00 3.12 H new ATOM 1777 N THR A 117 -12.611 4.951 11.864 1.00 1.15 N ATOM 1778 CA THR A 117 -13.007 5.691 13.066 1.00 1.08 C ATOM 1779 C THR A 117 -12.023 6.841 13.287 1.00 0.99 C ATOM 1780 O THR A 117 -10.859 6.749 12.883 1.00 0.98 O ATOM 1781 CB THR A 117 -13.073 4.803 14.331 1.00 1.04 C ATOM 1782 OG1 THR A 117 -13.143 3.417 13.971 1.00 1.34 O ATOM 1783 CG2 THR A 117 -14.289 5.161 15.175 1.00 1.40 C ATOM 0 H THR A 117 -12.046 4.121 12.043 1.00 1.15 H new ATOM 0 HA THR A 117 -14.016 6.070 12.901 1.00 1.08 H new ATOM 0 HB THR A 117 -12.167 4.980 14.910 1.00 1.04 H new ATOM 0 HG1 THR A 117 -13.496 2.901 14.725 1.00 1.34 H new ATOM 0 HG21 THR A 117 -14.318 4.525 16.060 1.00 1.40 H new ATOM 0 HG22 THR A 117 -14.225 6.205 15.480 1.00 1.40 H new ATOM 0 HG23 THR A 117 -15.196 5.009 14.590 1.00 1.40 H new ATOM 1791 N ASP A 118 -12.493 7.918 13.926 1.00 1.00 N ATOM 1792 CA ASP A 118 -11.671 9.117 14.165 1.00 1.00 C ATOM 1793 C ASP A 118 -10.378 8.825 14.936 1.00 0.90 C ATOM 1794 O ASP A 118 -9.315 9.321 14.557 1.00 0.96 O ATOM 1795 CB ASP A 118 -12.488 10.185 14.901 1.00 1.07 C ATOM 1796 CG ASP A 118 -13.571 10.796 14.031 1.00 1.51 C ATOM 1797 OD1 ASP A 118 -14.702 10.266 14.032 1.00 2.18 O ATOM 1798 OD2 ASP A 118 -13.288 11.804 13.350 1.00 2.05 O ATOM 0 H ASP A 118 -13.443 7.987 14.290 1.00 1.00 H new ATOM 0 HA ASP A 118 -11.374 9.485 13.183 1.00 1.00 H new ATOM 0 HB2 ASP A 118 -12.945 9.741 15.785 1.00 1.07 H new ATOM 0 HB3 ASP A 118 -11.819 10.973 15.249 1.00 1.07 H new ATOM 1803 N GLU A 119 -10.472 8.024 16.004 1.00 0.82 N ATOM 1804 CA GLU A 119 -9.309 7.685 16.819 1.00 0.81 C ATOM 1805 C GLU A 119 -8.583 6.436 16.329 1.00 0.77 C ATOM 1806 O GLU A 119 -7.388 6.278 16.599 1.00 0.78 O ATOM 1807 CB GLU A 119 -9.699 7.526 18.292 1.00 0.89 C ATOM 1808 CG GLU A 119 -10.014 8.840 18.991 1.00 1.11 C ATOM 1809 CD GLU A 119 -10.398 8.649 20.446 1.00 1.49 C ATOM 1810 OE1 GLU A 119 -11.603 8.473 20.723 1.00 2.02 O ATOM 1811 OE2 GLU A 119 -9.494 8.676 21.307 1.00 2.07 O ATOM 0 H GLU A 119 -11.344 7.600 16.321 1.00 0.82 H new ATOM 0 HA GLU A 119 -8.614 8.519 16.720 1.00 0.81 H new ATOM 0 HB2 GLU A 119 -10.569 6.872 18.359 1.00 0.89 H new ATOM 0 HB3 GLU A 119 -8.886 7.030 18.822 1.00 0.89 H new ATOM 0 HG2 GLU A 119 -9.146 9.496 18.931 1.00 1.11 H new ATOM 0 HG3 GLU A 119 -10.828 9.340 18.467 1.00 1.11 H new ATOM 1818 N GLU A 120 -9.295 5.548 15.617 1.00 0.77 N ATOM 1819 CA GLU A 120 -8.705 4.336 15.074 1.00 0.80 C ATOM 1820 C GLU A 120 -7.584 4.681 14.099 1.00 0.80 C ATOM 1821 O GLU A 120 -6.497 4.100 14.169 1.00 0.81 O ATOM 1822 CB GLU A 120 -9.791 3.503 14.389 1.00 0.97 C ATOM 1823 CG GLU A 120 -10.514 2.543 15.325 1.00 1.21 C ATOM 1824 CD GLU A 120 -9.725 1.274 15.603 1.00 1.52 C ATOM 1825 OE1 GLU A 120 -9.885 0.297 14.843 1.00 2.13 O ATOM 1826 OE2 GLU A 120 -8.948 1.261 16.581 1.00 1.93 O ATOM 0 H GLU A 120 -10.287 5.658 15.408 1.00 0.77 H new ATOM 0 HA GLU A 120 -8.272 3.750 15.885 1.00 0.80 H new ATOM 0 HB2 GLU A 120 -10.521 4.175 13.939 1.00 0.97 H new ATOM 0 HB3 GLU A 120 -9.340 2.933 13.577 1.00 0.97 H new ATOM 0 HG2 GLU A 120 -10.719 3.050 16.268 1.00 1.21 H new ATOM 0 HG3 GLU A 120 -11.477 2.277 14.890 1.00 1.21 H new ATOM 1833 N VAL A 121 -7.859 5.630 13.191 1.00 0.84 N ATOM 1834 CA VAL A 121 -6.885 6.083 12.253 1.00 0.92 C ATOM 1835 C VAL A 121 -6.009 7.199 12.820 1.00 0.88 C ATOM 1836 O VAL A 121 -4.938 7.453 12.281 1.00 0.93 O ATOM 1837 CB VAL A 121 -7.523 6.447 10.904 1.00 1.19 C ATOM 1838 CG1 VAL A 121 -7.620 7.929 10.687 1.00 0.82 C ATOM 1839 CG2 VAL A 121 -6.710 5.814 9.816 1.00 2.24 C ATOM 0 H VAL A 121 -8.767 6.088 13.107 1.00 0.84 H new ATOM 0 HA VAL A 121 -6.211 5.249 12.060 1.00 0.92 H new ATOM 0 HB VAL A 121 -8.546 6.071 10.895 1.00 1.19 H new ATOM 0 HG11 VAL A 121 -8.079 8.126 9.718 1.00 0.82 H new ATOM 0 HG12 VAL A 121 -8.230 8.373 11.474 1.00 0.82 H new ATOM 0 HG13 VAL A 121 -6.622 8.366 10.712 1.00 0.82 H new ATOM 0 HG21 VAL A 121 -7.145 6.059 8.847 1.00 2.24 H new ATOM 0 HG22 VAL A 121 -5.688 6.190 9.860 1.00 2.24 H new ATOM 0 HG23 VAL A 121 -6.705 4.732 9.948 1.00 2.24 H new ATOM 1849 N ASP A 122 -6.464 7.864 13.899 1.00 0.86 N ATOM 1850 CA ASP A 122 -5.666 8.928 14.518 1.00 0.95 C ATOM 1851 C ASP A 122 -4.461 8.321 15.230 1.00 0.84 C ATOM 1852 O ASP A 122 -3.452 8.990 15.459 1.00 0.89 O ATOM 1853 CB ASP A 122 -6.504 9.763 15.491 1.00 1.08 C ATOM 1854 CG ASP A 122 -5.994 11.186 15.632 1.00 1.26 C ATOM 1855 OD1 ASP A 122 -6.438 12.056 14.853 1.00 1.76 O ATOM 1856 OD2 ASP A 122 -5.152 11.430 16.522 1.00 1.76 O ATOM 0 H ASP A 122 -7.362 7.685 14.349 1.00 0.86 H new ATOM 0 HA ASP A 122 -5.317 9.597 13.731 1.00 0.95 H new ATOM 0 HB2 ASP A 122 -7.538 9.785 15.147 1.00 1.08 H new ATOM 0 HB3 ASP A 122 -6.503 9.283 16.469 1.00 1.08 H new ATOM 1861 N GLU A 123 -4.604 7.042 15.575 1.00 0.75 N ATOM 1862 CA GLU A 123 -3.554 6.275 16.208 1.00 0.73 C ATOM 1863 C GLU A 123 -2.653 5.661 15.153 1.00 0.65 C ATOM 1864 O GLU A 123 -1.432 5.662 15.304 1.00 0.65 O ATOM 1865 CB GLU A 123 -4.139 5.189 17.122 1.00 0.78 C ATOM 1866 CG GLU A 123 -4.545 5.693 18.502 1.00 0.92 C ATOM 1867 CD GLU A 123 -3.368 5.833 19.453 1.00 1.13 C ATOM 1868 OE1 GLU A 123 -2.763 6.925 19.493 1.00 1.43 O ATOM 1869 OE2 GLU A 123 -3.052 4.850 20.156 1.00 1.87 O ATOM 0 H GLU A 123 -5.462 6.513 15.418 1.00 0.75 H new ATOM 0 HA GLU A 123 -2.961 6.947 16.829 1.00 0.73 H new ATOM 0 HB2 GLU A 123 -5.010 4.750 16.636 1.00 0.78 H new ATOM 0 HB3 GLU A 123 -3.404 4.392 17.239 1.00 0.78 H new ATOM 0 HG2 GLU A 123 -5.039 6.659 18.399 1.00 0.92 H new ATOM 0 HG3 GLU A 123 -5.274 5.007 18.933 1.00 0.92 H new ATOM 1876 N MET A 124 -3.269 5.152 14.071 1.00 0.63 N ATOM 1877 CA MET A 124 -2.523 4.572 12.947 1.00 0.64 C ATOM 1878 C MET A 124 -1.793 5.680 12.205 1.00 0.64 C ATOM 1879 O MET A 124 -0.807 5.439 11.504 1.00 0.67 O ATOM 1880 CB MET A 124 -3.442 3.808 11.982 1.00 0.70 C ATOM 1881 CG MET A 124 -4.245 2.688 12.629 1.00 1.18 C ATOM 1882 SD MET A 124 -5.094 1.654 11.420 1.00 2.12 S ATOM 1883 CE MET A 124 -5.905 0.472 12.494 1.00 2.40 C ATOM 0 H MET A 124 -4.282 5.132 13.954 1.00 0.63 H new ATOM 0 HA MET A 124 -1.807 3.855 13.348 1.00 0.64 H new ATOM 0 HB2 MET A 124 -4.133 4.515 11.522 1.00 0.70 H new ATOM 0 HB3 MET A 124 -2.836 3.387 11.180 1.00 0.70 H new ATOM 0 HG2 MET A 124 -3.578 2.067 13.228 1.00 1.18 H new ATOM 0 HG3 MET A 124 -4.978 3.119 13.311 1.00 1.18 H new ATOM 0 HE1 MET A 124 -6.473 -0.237 11.892 1.00 2.40 H new ATOM 0 HE2 MET A 124 -5.156 -0.064 13.076 1.00 2.40 H new ATOM 0 HE3 MET A 124 -6.581 0.997 13.169 1.00 2.40 H new ATOM 1893 N ILE A 125 -2.311 6.901 12.381 1.00 0.65 N ATOM 1894 CA ILE A 125 -1.730 8.093 11.802 1.00 0.70 C ATOM 1895 C ILE A 125 -0.606 8.585 12.712 1.00 0.66 C ATOM 1896 O ILE A 125 0.417 9.088 12.239 1.00 0.68 O ATOM 1897 CB ILE A 125 -2.815 9.191 11.626 1.00 0.82 C ATOM 1898 CG1 ILE A 125 -2.690 9.879 10.265 1.00 0.94 C ATOM 1899 CG2 ILE A 125 -2.773 10.228 12.752 1.00 0.84 C ATOM 1900 CD1 ILE A 125 -3.595 9.286 9.207 1.00 0.70 C ATOM 0 H ILE A 125 -3.150 7.079 12.934 1.00 0.65 H new ATOM 0 HA ILE A 125 -1.324 7.864 10.817 1.00 0.70 H new ATOM 0 HB ILE A 125 -3.781 8.688 11.675 1.00 0.82 H new ATOM 0 HG12 ILE A 125 -2.922 10.938 10.379 1.00 0.94 H new ATOM 0 HG13 ILE A 125 -1.656 9.813 9.927 1.00 0.94 H new ATOM 0 HG21 ILE A 125 -3.549 10.976 12.587 1.00 0.84 H new ATOM 0 HG22 ILE A 125 -2.943 9.734 13.708 1.00 0.84 H new ATOM 0 HG23 ILE A 125 -1.797 10.714 12.763 1.00 0.84 H new ATOM 0 HD11 ILE A 125 -3.456 9.821 8.268 1.00 0.70 H new ATOM 0 HD12 ILE A 125 -3.349 8.234 9.066 1.00 0.70 H new ATOM 0 HD13 ILE A 125 -4.634 9.376 9.525 1.00 0.70 H new ATOM 1912 N ARG A 126 -0.823 8.425 14.038 1.00 0.65 N ATOM 1913 CA ARG A 126 0.154 8.844 15.027 1.00 0.68 C ATOM 1914 C ARG A 126 1.254 7.831 15.213 1.00 0.64 C ATOM 1915 O ARG A 126 2.279 8.097 15.850 1.00 0.69 O ATOM 1916 CB ARG A 126 -0.493 9.234 16.358 1.00 0.76 C ATOM 1917 CG ARG A 126 -1.080 10.639 16.362 1.00 1.02 C ATOM 1918 CD ARG A 126 -1.693 10.991 17.711 1.00 1.07 C ATOM 1919 NE ARG A 126 -2.968 10.298 17.943 1.00 1.63 N ATOM 1920 CZ ARG A 126 -3.679 10.367 19.078 1.00 1.79 C ATOM 1921 NH1 ARG A 126 -3.261 11.097 20.110 1.00 1.36 N ATOM 1922 NH2 ARG A 126 -4.819 9.698 19.177 1.00 2.58 N ATOM 0 H ARG A 126 -1.668 8.009 14.430 1.00 0.65 H new ATOM 0 HA ARG A 126 0.621 9.745 14.629 1.00 0.68 H new ATOM 0 HB2 ARG A 126 -1.282 8.519 16.592 1.00 0.76 H new ATOM 0 HB3 ARG A 126 0.252 9.158 17.150 1.00 0.76 H new ATOM 0 HG2 ARG A 126 -0.300 11.360 16.118 1.00 1.02 H new ATOM 0 HG3 ARG A 126 -1.841 10.718 15.585 1.00 1.02 H new ATOM 0 HD2 ARG A 126 -0.992 10.732 18.505 1.00 1.07 H new ATOM 0 HD3 ARG A 126 -1.852 12.068 17.765 1.00 1.07 H new ATOM 0 HE ARG A 126 -3.339 9.723 17.186 1.00 1.63 H new ATOM 0 HH11 ARG A 126 -2.386 11.617 20.046 1.00 1.36 H new ATOM 0 HH12 ARG A 126 -3.816 11.137 20.965 1.00 1.36 H new ATOM 0 HH21 ARG A 126 -5.150 9.136 18.393 1.00 2.58 H new ATOM 0 HH22 ARG A 126 -5.365 9.746 20.037 1.00 2.58 H new ATOM 1936 N GLU A 127 1.014 6.675 14.640 1.00 0.59 N ATOM 1937 CA GLU A 127 1.968 5.566 14.649 1.00 0.59 C ATOM 1938 C GLU A 127 3.170 5.905 13.756 1.00 0.59 C ATOM 1939 O GLU A 127 4.133 5.136 13.666 1.00 0.63 O ATOM 1940 CB GLU A 127 1.298 4.279 14.163 1.00 0.61 C ATOM 1941 CG GLU A 127 0.563 3.514 15.256 1.00 0.66 C ATOM 1942 CD GLU A 127 0.152 2.123 14.817 1.00 1.28 C ATOM 1943 OE1 GLU A 127 -0.900 1.996 14.157 1.00 1.91 O ATOM 1944 OE2 GLU A 127 0.883 1.162 15.134 1.00 2.06 O ATOM 0 H GLU A 127 0.146 6.465 14.147 1.00 0.59 H new ATOM 0 HA GLU A 127 2.315 5.410 15.671 1.00 0.59 H new ATOM 0 HB2 GLU A 127 0.593 4.526 13.369 1.00 0.61 H new ATOM 0 HB3 GLU A 127 2.056 3.629 13.726 1.00 0.61 H new ATOM 0 HG2 GLU A 127 1.203 3.439 16.135 1.00 0.66 H new ATOM 0 HG3 GLU A 127 -0.324 4.074 15.553 1.00 0.66 H new ATOM 1951 N ALA A 128 3.092 7.085 13.107 1.00 0.59 N ATOM 1952 CA ALA A 128 4.141 7.556 12.199 1.00 0.64 C ATOM 1953 C ALA A 128 4.445 9.056 12.378 1.00 0.63 C ATOM 1954 O ALA A 128 5.241 9.624 11.619 1.00 0.65 O ATOM 1955 CB ALA A 128 3.740 7.261 10.757 1.00 0.72 C ATOM 0 H ALA A 128 2.305 7.728 13.201 1.00 0.59 H new ATOM 0 HA ALA A 128 5.057 7.019 12.444 1.00 0.64 H new ATOM 0 HB1 ALA A 128 4.521 7.612 10.083 1.00 0.72 H new ATOM 0 HB2 ALA A 128 3.606 6.187 10.629 1.00 0.72 H new ATOM 0 HB3 ALA A 128 2.806 7.773 10.527 1.00 0.72 H new ATOM 1961 N ALA A 129 3.827 9.693 13.392 1.00 0.67 N ATOM 1962 CA ALA A 129 4.038 11.126 13.663 1.00 0.72 C ATOM 1963 C ALA A 129 5.389 11.383 14.338 1.00 0.77 C ATOM 1964 O ALA A 129 5.608 10.980 15.487 1.00 0.86 O ATOM 1965 CB ALA A 129 2.906 11.685 14.521 1.00 0.83 C ATOM 0 H ALA A 129 3.179 9.238 14.035 1.00 0.67 H new ATOM 0 HA ALA A 129 4.041 11.641 12.702 1.00 0.72 H new ATOM 0 HB1 ALA A 129 3.081 12.744 14.709 1.00 0.83 H new ATOM 0 HB2 ALA A 129 1.958 11.561 13.998 1.00 0.83 H new ATOM 0 HB3 ALA A 129 2.870 11.149 15.469 1.00 0.83 H new ATOM 1971 N ILE A 130 6.297 12.043 13.603 1.00 0.77 N ATOM 1972 CA ILE A 130 7.621 12.374 14.100 1.00 0.87 C ATOM 1973 C ILE A 130 7.571 13.668 14.929 1.00 1.01 C ATOM 1974 O ILE A 130 6.942 14.644 14.515 1.00 1.27 O ATOM 1975 CB ILE A 130 8.661 12.456 12.918 1.00 0.91 C ATOM 1976 CG1 ILE A 130 8.892 13.895 12.354 1.00 1.07 C ATOM 1977 CG2 ILE A 130 8.288 11.486 11.789 1.00 1.28 C ATOM 1978 CD1 ILE A 130 7.716 14.528 11.617 1.00 1.57 C ATOM 0 H ILE A 130 6.124 12.358 12.648 1.00 0.77 H new ATOM 0 HA ILE A 130 7.961 11.577 14.762 1.00 0.87 H new ATOM 0 HB ILE A 130 9.614 12.157 13.356 1.00 0.91 H new ATOM 0 HG12 ILE A 130 9.168 14.547 13.183 1.00 1.07 H new ATOM 0 HG13 ILE A 130 9.745 13.864 11.675 1.00 1.07 H new ATOM 0 HG21 ILE A 130 9.021 11.563 10.986 1.00 1.28 H new ATOM 0 HG22 ILE A 130 8.277 10.466 12.174 1.00 1.28 H new ATOM 0 HG23 ILE A 130 7.300 11.739 11.403 1.00 1.28 H new ATOM 0 HD11 ILE A 130 7.996 15.524 11.273 1.00 1.57 H new ATOM 0 HD12 ILE A 130 7.448 13.910 10.760 1.00 1.57 H new ATOM 0 HD13 ILE A 130 6.863 14.604 12.291 1.00 1.57 H new ATOM 1990 N ASP A 131 8.240 13.659 16.103 1.00 1.22 N ATOM 1991 CA ASP A 131 8.278 14.801 17.046 1.00 1.45 C ATOM 1992 C ASP A 131 6.869 15.239 17.489 1.00 1.44 C ATOM 1993 O ASP A 131 6.483 15.042 18.646 1.00 1.64 O ATOM 1994 CB ASP A 131 9.082 15.965 16.443 1.00 1.64 C ATOM 1995 CG ASP A 131 9.681 16.884 17.495 1.00 2.27 C ATOM 1996 OD1 ASP A 131 9.006 17.860 17.883 1.00 2.70 O ATOM 1997 OD2 ASP A 131 10.823 16.624 17.929 1.00 2.90 O ATOM 0 H ASP A 131 8.774 12.852 16.426 1.00 1.22 H new ATOM 0 HA ASP A 131 8.788 14.471 17.951 1.00 1.45 H new ATOM 0 HB2 ASP A 131 9.883 15.563 15.822 1.00 1.64 H new ATOM 0 HB3 ASP A 131 8.433 16.546 15.788 1.00 1.64 H new ATOM 2002 N GLY A 132 6.131 15.826 16.557 1.00 1.31 N ATOM 2003 CA GLY A 132 4.768 16.278 16.810 1.00 1.35 C ATOM 2004 C GLY A 132 4.167 17.048 15.642 1.00 1.46 C ATOM 2005 O GLY A 132 3.295 17.899 15.840 1.00 1.75 O ATOM 0 H GLY A 132 6.458 16.002 15.607 1.00 1.31 H new ATOM 0 HA2 GLY A 132 4.140 15.414 17.029 1.00 1.35 H new ATOM 0 HA3 GLY A 132 4.760 16.911 17.697 1.00 1.35 H new ATOM 2009 N ASP A 133 4.639 16.743 14.428 1.00 1.34 N ATOM 2010 CA ASP A 133 4.149 17.379 13.205 1.00 1.49 C ATOM 2011 C ASP A 133 3.737 16.299 12.200 1.00 1.37 C ATOM 2012 O ASP A 133 2.641 16.351 11.634 1.00 1.69 O ATOM 2013 CB ASP A 133 5.223 18.301 12.609 1.00 1.52 C ATOM 2014 CG ASP A 133 4.633 19.428 11.778 1.00 1.94 C ATOM 2015 OD1 ASP A 133 4.300 19.184 10.600 1.00 2.14 O ATOM 2016 OD2 ASP A 133 4.506 20.552 12.308 1.00 2.60 O ATOM 0 H ASP A 133 5.370 16.050 14.268 1.00 1.34 H new ATOM 0 HA ASP A 133 3.279 17.992 13.442 1.00 1.49 H new ATOM 0 HB2 ASP A 133 5.821 18.725 13.416 1.00 1.52 H new ATOM 0 HB3 ASP A 133 5.898 17.712 11.988 1.00 1.52 H new ATOM 2021 N GLY A 134 4.637 15.326 11.994 1.00 1.04 N ATOM 2022 CA GLY A 134 4.374 14.210 11.096 1.00 1.15 C ATOM 2023 C GLY A 134 4.785 14.436 9.649 1.00 1.03 C ATOM 2024 O GLY A 134 4.670 13.510 8.844 1.00 1.25 O ATOM 0 H GLY A 134 5.553 15.297 12.442 1.00 1.04 H new ATOM 0 HA2 GLY A 134 4.896 13.330 11.472 1.00 1.15 H new ATOM 0 HA3 GLY A 134 3.308 13.985 11.124 1.00 1.15 H new ATOM 2028 N GLN A 135 5.275 15.640 9.298 1.00 0.84 N ATOM 2029 CA GLN A 135 5.686 15.909 7.909 1.00 0.77 C ATOM 2030 C GLN A 135 7.044 15.287 7.591 1.00 0.74 C ATOM 2031 O GLN A 135 8.020 15.490 8.319 1.00 0.80 O ATOM 2032 CB GLN A 135 5.647 17.399 7.546 1.00 0.80 C ATOM 2033 CG GLN A 135 6.379 18.336 8.507 1.00 1.03 C ATOM 2034 CD GLN A 135 6.306 19.787 8.075 1.00 1.40 C ATOM 2035 OE1 GLN A 135 7.275 20.216 7.274 1.00 2.05 O flip ATOM 2036 NE2 GLN A 135 5.389 20.515 8.455 1.00 1.98 N flip ATOM 0 H GLN A 135 5.394 16.424 9.940 1.00 0.84 H new ATOM 0 HA GLN A 135 4.943 15.424 7.276 1.00 0.77 H new ATOM 0 HB2 GLN A 135 6.075 17.523 6.551 1.00 0.80 H new ATOM 0 HB3 GLN A 135 4.605 17.712 7.486 1.00 0.80 H new ATOM 0 HG2 GLN A 135 5.950 18.236 9.504 1.00 1.03 H new ATOM 0 HG3 GLN A 135 7.424 18.034 8.578 1.00 1.03 H new ATOM 0 HE21 GLN A 135 4.665 20.144 9.070 1.00 1.98 H new ATOM 0 HE22 GLN A 135 5.353 21.489 8.155 1.00 1.98 H new ATOM 2045 N VAL A 136 7.079 14.529 6.490 1.00 0.69 N ATOM 2046 CA VAL A 136 8.297 13.820 6.068 1.00 0.68 C ATOM 2047 C VAL A 136 8.502 13.876 4.554 1.00 0.64 C ATOM 2048 O VAL A 136 7.558 13.695 3.787 1.00 0.67 O ATOM 2049 CB VAL A 136 8.302 12.337 6.537 1.00 0.75 C ATOM 2050 CG1 VAL A 136 8.726 12.245 7.995 1.00 0.91 C ATOM 2051 CG2 VAL A 136 6.938 11.668 6.341 1.00 0.88 C ATOM 0 H VAL A 136 6.279 14.389 5.873 1.00 0.69 H new ATOM 0 HA VAL A 136 9.124 14.341 6.550 1.00 0.68 H new ATOM 0 HB VAL A 136 9.022 11.803 5.917 1.00 0.75 H new ATOM 0 HG11 VAL A 136 8.725 11.201 8.309 1.00 0.91 H new ATOM 0 HG12 VAL A 136 9.729 12.657 8.109 1.00 0.91 H new ATOM 0 HG13 VAL A 136 8.029 12.811 8.613 1.00 0.91 H new ATOM 0 HG21 VAL A 136 6.988 10.634 6.682 1.00 0.88 H new ATOM 0 HG22 VAL A 136 6.184 12.204 6.917 1.00 0.88 H new ATOM 0 HG23 VAL A 136 6.671 11.689 5.284 1.00 0.88 H new ATOM 2061 N ASN A 137 9.753 14.115 4.141 1.00 0.63 N ATOM 2062 CA ASN A 137 10.125 14.212 2.744 1.00 0.62 C ATOM 2063 C ASN A 137 10.314 12.829 2.114 1.00 0.59 C ATOM 2064 O ASN A 137 9.929 11.811 2.696 1.00 0.59 O ATOM 2065 CB ASN A 137 11.419 14.997 2.675 1.00 0.66 C ATOM 2066 CG ASN A 137 11.378 16.169 1.719 1.00 0.80 C ATOM 2067 OD1 ASN A 137 10.975 17.271 2.089 1.00 1.18 O ATOM 2068 ND2 ASN A 137 11.800 15.942 0.484 1.00 1.45 N ATOM 0 H ASN A 137 10.535 14.246 4.782 1.00 0.63 H new ATOM 0 HA ASN A 137 9.332 14.709 2.186 1.00 0.62 H new ATOM 0 HB2 ASN A 137 11.663 15.363 3.672 1.00 0.66 H new ATOM 0 HB3 ASN A 137 12.224 14.325 2.376 1.00 0.66 H new ATOM 0 HD21 ASN A 137 11.799 16.697 -0.202 1.00 1.45 H new ATOM 0 HD22 ASN A 137 12.126 15.013 0.219 1.00 1.45 H new ATOM 2075 N TYR A 138 10.914 12.815 0.917 1.00 0.62 N ATOM 2076 CA TYR A 138 11.178 11.587 0.170 1.00 0.66 C ATOM 2077 C TYR A 138 12.213 10.672 0.847 1.00 0.61 C ATOM 2078 O TYR A 138 12.268 9.481 0.549 1.00 0.67 O ATOM 2079 CB TYR A 138 11.615 11.919 -1.266 1.00 0.75 C ATOM 2080 CG TYR A 138 12.750 12.929 -1.411 1.00 1.21 C ATOM 2081 CD1 TYR A 138 12.505 14.204 -1.905 1.00 1.93 C ATOM 2082 CD2 TYR A 138 14.060 12.602 -1.068 1.00 2.03 C ATOM 2083 CE1 TYR A 138 13.526 15.124 -2.051 1.00 2.59 C ATOM 2084 CE2 TYR A 138 15.086 13.518 -1.210 1.00 2.76 C ATOM 2085 CZ TYR A 138 14.813 14.776 -1.701 1.00 2.81 C ATOM 2086 OH TYR A 138 15.832 15.690 -1.845 1.00 3.66 O ATOM 0 H TYR A 138 11.230 13.660 0.441 1.00 0.62 H new ATOM 0 HA TYR A 138 10.241 11.030 0.149 1.00 0.66 H new ATOM 0 HB2 TYR A 138 11.917 10.993 -1.755 1.00 0.75 H new ATOM 0 HB3 TYR A 138 10.749 12.298 -1.808 1.00 0.75 H new ATOM 0 HD1 TYR A 138 11.498 14.481 -2.180 1.00 1.93 H new ATOM 0 HD2 TYR A 138 14.278 11.616 -0.685 1.00 2.03 H new ATOM 0 HE1 TYR A 138 13.317 16.111 -2.437 1.00 2.59 H new ATOM 0 HE2 TYR A 138 16.096 13.249 -0.938 1.00 2.76 H new ATOM 0 HH TYR A 138 16.676 15.287 -1.553 1.00 3.66 H new ATOM 2096 N GLU A 139 13.027 11.237 1.751 1.00 0.57 N ATOM 2097 CA GLU A 139 14.071 10.476 2.458 1.00 0.60 C ATOM 2098 C GLU A 139 13.487 9.435 3.428 1.00 0.54 C ATOM 2099 O GLU A 139 13.886 8.267 3.397 1.00 0.57 O ATOM 2100 CB GLU A 139 15.009 11.429 3.213 1.00 0.68 C ATOM 2101 CG GLU A 139 15.951 12.211 2.309 1.00 0.89 C ATOM 2102 CD GLU A 139 16.863 13.142 3.085 1.00 1.36 C ATOM 2103 OE1 GLU A 139 17.966 12.704 3.473 1.00 2.24 O ATOM 2104 OE2 GLU A 139 16.473 14.308 3.303 1.00 1.61 O ATOM 0 H GLU A 139 12.983 12.222 2.011 1.00 0.57 H new ATOM 0 HA GLU A 139 14.635 9.932 1.700 1.00 0.60 H new ATOM 0 HB2 GLU A 139 14.409 12.132 3.791 1.00 0.68 H new ATOM 0 HB3 GLU A 139 15.600 10.853 3.926 1.00 0.68 H new ATOM 0 HG2 GLU A 139 16.557 11.513 1.731 1.00 0.89 H new ATOM 0 HG3 GLU A 139 15.366 12.792 1.596 1.00 0.89 H new ATOM 2111 N GLU A 140 12.547 9.866 4.283 1.00 0.51 N ATOM 2112 CA GLU A 140 11.918 8.976 5.271 1.00 0.52 C ATOM 2113 C GLU A 140 10.663 8.285 4.731 1.00 0.47 C ATOM 2114 O GLU A 140 10.377 7.145 5.108 1.00 0.49 O ATOM 2115 CB GLU A 140 11.573 9.751 6.550 1.00 0.59 C ATOM 2116 CG GLU A 140 12.784 10.126 7.402 1.00 1.02 C ATOM 2117 CD GLU A 140 13.292 8.973 8.251 1.00 1.31 C ATOM 2118 OE1 GLU A 140 12.816 8.823 9.395 1.00 1.91 O ATOM 2119 OE2 GLU A 140 14.166 8.221 7.769 1.00 2.02 O ATOM 0 H GLU A 140 12.205 10.827 4.310 1.00 0.51 H new ATOM 0 HA GLU A 140 12.647 8.198 5.497 1.00 0.52 H new ATOM 0 HB2 GLU A 140 11.039 10.661 6.277 1.00 0.59 H new ATOM 0 HB3 GLU A 140 10.891 9.151 7.152 1.00 0.59 H new ATOM 0 HG2 GLU A 140 13.587 10.472 6.751 1.00 1.02 H new ATOM 0 HG3 GLU A 140 12.520 10.960 8.052 1.00 1.02 H new ATOM 2126 N PHE A 141 9.920 8.975 3.852 1.00 0.45 N ATOM 2127 CA PHE A 141 8.686 8.424 3.268 1.00 0.43 C ATOM 2128 C PHE A 141 8.985 7.312 2.241 1.00 0.41 C ATOM 2129 O PHE A 141 8.079 6.580 1.835 1.00 0.44 O ATOM 2130 CB PHE A 141 7.856 9.549 2.640 1.00 0.45 C ATOM 2131 CG PHE A 141 6.399 9.215 2.447 1.00 0.69 C ATOM 2132 CD1 PHE A 141 5.481 9.427 3.464 1.00 1.33 C ATOM 2133 CD2 PHE A 141 5.952 8.696 1.244 1.00 1.55 C ATOM 2134 CE1 PHE A 141 4.145 9.127 3.283 1.00 1.59 C ATOM 2135 CE2 PHE A 141 4.616 8.393 1.058 1.00 1.88 C ATOM 2136 CZ PHE A 141 3.711 8.609 2.079 1.00 1.54 C ATOM 0 H PHE A 141 10.151 9.915 3.530 1.00 0.45 H new ATOM 0 HA PHE A 141 8.107 7.966 4.070 1.00 0.43 H new ATOM 0 HB2 PHE A 141 7.933 10.435 3.270 1.00 0.45 H new ATOM 0 HB3 PHE A 141 8.288 9.807 1.673 1.00 0.45 H new ATOM 0 HD1 PHE A 141 5.814 9.831 4.408 1.00 1.33 H new ATOM 0 HD2 PHE A 141 6.655 8.526 0.442 1.00 1.55 H new ATOM 0 HE1 PHE A 141 3.440 9.298 4.083 1.00 1.59 H new ATOM 0 HE2 PHE A 141 4.280 7.988 0.115 1.00 1.88 H new ATOM 0 HZ PHE A 141 2.667 8.373 1.936 1.00 1.54 H new ATOM 2146 N VAL A 142 10.258 7.209 1.823 1.00 0.42 N ATOM 2147 CA VAL A 142 10.707 6.164 0.889 1.00 0.44 C ATOM 2148 C VAL A 142 11.002 4.880 1.651 1.00 0.46 C ATOM 2149 O VAL A 142 10.851 3.786 1.114 1.00 0.48 O ATOM 2150 CB VAL A 142 11.970 6.610 0.108 1.00 0.48 C ATOM 2151 CG1 VAL A 142 13.019 5.501 0.007 1.00 0.53 C ATOM 2152 CG2 VAL A 142 11.602 7.135 -1.281 1.00 0.50 C ATOM 0 H VAL A 142 10.999 7.843 2.121 1.00 0.42 H new ATOM 0 HA VAL A 142 9.907 5.989 0.170 1.00 0.44 H new ATOM 0 HB VAL A 142 12.419 7.423 0.679 1.00 0.48 H new ATOM 0 HG11 VAL A 142 13.882 5.866 -0.549 1.00 0.53 H new ATOM 0 HG12 VAL A 142 13.332 5.204 1.008 1.00 0.53 H new ATOM 0 HG13 VAL A 142 12.592 4.642 -0.510 1.00 0.53 H new ATOM 0 HG21 VAL A 142 12.507 7.441 -1.806 1.00 0.50 H new ATOM 0 HG22 VAL A 142 11.102 6.349 -1.847 1.00 0.50 H new ATOM 0 HG23 VAL A 142 10.934 7.991 -1.181 1.00 0.50 H new ATOM 2162 N GLN A 143 11.468 5.034 2.895 1.00 0.49 N ATOM 2163 CA GLN A 143 11.788 3.902 3.755 1.00 0.54 C ATOM 2164 C GLN A 143 10.572 2.996 3.950 1.00 0.52 C ATOM 2165 O GLN A 143 10.716 1.774 4.055 1.00 0.57 O ATOM 2166 CB GLN A 143 12.318 4.409 5.097 1.00 0.59 C ATOM 2167 CG GLN A 143 13.336 3.491 5.772 1.00 0.64 C ATOM 2168 CD GLN A 143 12.695 2.311 6.484 1.00 0.89 C ATOM 2169 OE1 GLN A 143 12.515 1.242 5.901 1.00 1.62 O ATOM 2170 NE2 GLN A 143 12.347 2.503 7.751 1.00 1.55 N ATOM 0 H GLN A 143 11.631 5.943 3.327 1.00 0.49 H new ATOM 0 HA GLN A 143 12.562 3.304 3.274 1.00 0.54 H new ATOM 0 HB2 GLN A 143 12.776 5.386 4.945 1.00 0.59 H new ATOM 0 HB3 GLN A 143 11.475 4.553 5.773 1.00 0.59 H new ATOM 0 HG2 GLN A 143 14.034 3.119 5.022 1.00 0.64 H new ATOM 0 HG3 GLN A 143 13.917 4.069 6.490 1.00 0.64 H new ATOM 0 HE21 GLN A 143 12.515 3.406 8.195 1.00 1.55 H new ATOM 0 HE22 GLN A 143 11.912 1.748 8.280 1.00 1.55 H new ATOM 2179 N MET A 144 9.373 3.605 3.995 1.00 0.49 N ATOM 2180 CA MET A 144 8.133 2.848 4.096 1.00 0.49 C ATOM 2181 C MET A 144 7.872 2.154 2.752 1.00 0.51 C ATOM 2182 O MET A 144 7.104 1.191 2.670 1.00 0.58 O ATOM 2183 CB MET A 144 6.946 3.751 4.517 1.00 0.52 C ATOM 2184 CG MET A 144 6.368 4.656 3.417 1.00 0.93 C ATOM 2185 SD MET A 144 5.748 6.230 4.052 1.00 2.33 S ATOM 2186 CE MET A 144 4.218 5.723 4.838 1.00 3.20 C ATOM 0 H MET A 144 9.247 4.617 3.963 1.00 0.49 H new ATOM 0 HA MET A 144 8.231 2.094 4.877 1.00 0.49 H new ATOM 0 HB2 MET A 144 6.146 3.114 4.894 1.00 0.52 H new ATOM 0 HB3 MET A 144 7.270 4.381 5.346 1.00 0.52 H new ATOM 0 HG2 MET A 144 7.139 4.850 2.671 1.00 0.93 H new ATOM 0 HG3 MET A 144 5.559 4.131 2.910 1.00 0.93 H new ATOM 0 HE1 MET A 144 3.372 6.130 4.284 1.00 3.20 H new ATOM 0 HE2 MET A 144 4.157 4.635 4.847 1.00 3.20 H new ATOM 0 HE3 MET A 144 4.194 6.096 5.862 1.00 3.20 H new ATOM 2196 N MET A 145 8.541 2.681 1.705 1.00 0.49 N ATOM 2197 CA MET A 145 8.439 2.141 0.354 1.00 0.56 C ATOM 2198 C MET A 145 9.514 1.072 0.103 1.00 0.62 C ATOM 2199 O MET A 145 9.286 0.143 -0.678 1.00 0.75 O ATOM 2200 CB MET A 145 8.569 3.268 -0.683 1.00 0.58 C ATOM 2201 CG MET A 145 7.456 4.306 -0.619 1.00 1.52 C ATOM 2202 SD MET A 145 7.635 5.596 -1.865 1.00 2.50 S ATOM 2203 CE MET A 145 6.224 6.622 -1.470 1.00 3.22 C ATOM 0 H MET A 145 9.161 3.488 1.782 1.00 0.49 H new ATOM 0 HA MET A 145 7.460 1.673 0.253 1.00 0.56 H new ATOM 0 HB2 MET A 145 9.527 3.769 -0.541 1.00 0.58 H new ATOM 0 HB3 MET A 145 8.584 2.829 -1.681 1.00 0.58 H new ATOM 0 HG2 MET A 145 6.494 3.810 -0.751 1.00 1.52 H new ATOM 0 HG3 MET A 145 7.446 4.762 0.371 1.00 1.52 H new ATOM 0 HE1 MET A 145 6.492 7.672 -1.592 1.00 3.22 H new ATOM 0 HE2 MET A 145 5.398 6.378 -2.139 1.00 3.22 H new ATOM 0 HE3 MET A 145 5.921 6.442 -0.439 1.00 3.22 H new ATOM 2213 N THR A 146 10.686 1.205 0.768 1.00 0.59 N ATOM 2214 CA THR A 146 11.785 0.259 0.605 1.00 0.68 C ATOM 2215 C THR A 146 11.632 -0.979 1.493 1.00 0.78 C ATOM 2216 O THR A 146 12.134 -2.055 1.157 1.00 0.89 O ATOM 2217 CB THR A 146 13.139 0.916 0.932 1.00 0.69 C ATOM 2218 OG1 THR A 146 12.952 2.108 1.701 1.00 0.63 O ATOM 2219 CG2 THR A 146 13.916 1.246 -0.333 1.00 0.71 C ATOM 0 H THR A 146 10.882 1.964 1.421 1.00 0.59 H new ATOM 0 HA THR A 146 11.755 -0.049 -0.440 1.00 0.68 H new ATOM 0 HB THR A 146 13.714 0.197 1.516 1.00 0.69 H new ATOM 0 HG1 THR A 146 13.824 2.501 1.913 1.00 0.63 H new ATOM 0 HG21 THR A 146 14.866 1.708 -0.066 1.00 0.71 H new ATOM 0 HG22 THR A 146 14.103 0.331 -0.894 1.00 0.71 H new ATOM 0 HG23 THR A 146 13.336 1.936 -0.946 1.00 0.71 H new ATOM 2227 N ALA A 147 10.936 -0.810 2.622 1.00 0.77 N ATOM 2228 CA ALA A 147 10.696 -1.890 3.569 1.00 0.88 C ATOM 2229 C ALA A 147 9.438 -2.680 3.215 1.00 0.94 C ATOM 2230 O ALA A 147 8.460 -2.114 2.717 1.00 0.91 O ATOM 2231 CB ALA A 147 10.594 -1.336 4.981 1.00 0.90 C ATOM 0 H ALA A 147 10.526 0.081 2.900 1.00 0.77 H new ATOM 0 HA ALA A 147 11.542 -2.576 3.515 1.00 0.88 H new ATOM 0 HB1 ALA A 147 10.414 -2.153 5.680 1.00 0.90 H new ATOM 0 HB2 ALA A 147 11.525 -0.832 5.242 1.00 0.90 H new ATOM 0 HB3 ALA A 147 9.770 -0.625 5.034 1.00 0.90 H new ATOM 2237 N LYS A 148 9.478 -3.990 3.479 1.00 1.08 N ATOM 2238 CA LYS A 148 8.351 -4.880 3.196 1.00 1.19 C ATOM 2239 C LYS A 148 7.596 -5.226 4.479 1.00 1.63 C ATOM 2240 O LYS A 148 6.393 -4.900 4.560 1.00 2.21 O ATOM 2241 CB LYS A 148 8.836 -6.164 2.501 1.00 1.53 C ATOM 2242 CG LYS A 148 9.296 -5.964 1.057 1.00 2.17 C ATOM 2243 CD LYS A 148 10.758 -5.534 0.978 1.00 2.29 C ATOM 2244 CE LYS A 148 11.207 -5.322 -0.461 1.00 3.11 C ATOM 2245 NZ LYS A 148 11.383 -6.609 -1.192 1.00 3.56 N ATOM 2246 OXT LYS A 148 8.215 -5.809 5.397 1.00 2.14 O ATOM 0 H LYS A 148 10.285 -4.458 3.891 1.00 1.08 H new ATOM 0 HA LYS A 148 7.669 -4.357 2.526 1.00 1.19 H new ATOM 0 HB2 LYS A 148 9.660 -6.586 3.077 1.00 1.53 H new ATOM 0 HB3 LYS A 148 8.029 -6.897 2.515 1.00 1.53 H new ATOM 0 HG2 LYS A 148 9.160 -6.892 0.501 1.00 2.17 H new ATOM 0 HG3 LYS A 148 8.670 -5.211 0.578 1.00 2.17 H new ATOM 0 HD2 LYS A 148 10.897 -4.612 1.542 1.00 2.29 H new ATOM 0 HD3 LYS A 148 11.386 -6.292 1.447 1.00 2.29 H new ATOM 0 HE2 LYS A 148 10.473 -4.708 -0.982 1.00 3.11 H new ATOM 0 HE3 LYS A 148 12.147 -4.770 -0.469 1.00 3.11 H new ATOM 0 HZ1 LYS A 148 11.522 -6.417 -2.205 1.00 3.56 H new ATOM 0 HZ2 LYS A 148 12.214 -7.110 -0.817 1.00 3.56 H new ATOM 0 HZ3 LYS A 148 10.536 -7.199 -1.065 1.00 3.56 H new TER 2260 LYS A 148 ATOM 2261 N ALA B 503 5.360 4.791 41.166 1.00 0.00 N ATOM 2262 CA ALA B 503 5.226 6.226 40.798 1.00 0.00 C ATOM 2263 C ALA B 503 4.735 6.389 39.359 1.00 0.00 C ATOM 2264 O ALA B 503 3.887 7.243 39.083 1.00 0.00 O ATOM 2265 CB ALA B 503 6.554 6.946 40.990 1.00 0.00 C ATOM 0 HA ALA B 503 4.482 6.673 41.457 1.00 0.00 H new ATOM 0 HB1 ALA B 503 6.442 7.995 40.717 1.00 0.00 H new ATOM 0 HB2 ALA B 503 6.860 6.873 42.034 1.00 0.00 H new ATOM 0 HB3 ALA B 503 7.312 6.486 40.357 1.00 0.00 H new ATOM 2273 N GLY B 504 5.273 5.563 38.451 1.00 0.00 N ATOM 2274 CA GLY B 504 4.887 5.620 37.049 1.00 0.00 C ATOM 2275 C GLY B 504 4.819 4.247 36.408 1.00 0.00 C ATOM 2276 O GLY B 504 4.550 3.253 37.089 1.00 0.00 O ATOM 0 H GLY B 504 5.973 4.853 38.668 1.00 0.00 H new ATOM 0 HA2 GLY B 504 3.915 6.106 36.963 1.00 0.00 H new ATOM 0 HA3 GLY B 504 5.601 6.237 36.504 1.00 0.00 H new ATOM 2280 N HIS B 505 5.065 4.200 35.095 1.00 0.00 N ATOM 2281 CA HIS B 505 5.035 2.947 34.338 1.00 0.00 C ATOM 2282 C HIS B 505 6.449 2.468 34.021 1.00 0.00 C ATOM 2283 O HIS B 505 7.364 3.280 33.852 1.00 0.00 O ATOM 2284 CB HIS B 505 4.242 3.123 33.040 1.00 0.00 C ATOM 2285 CG HIS B 505 2.769 3.304 33.252 1.00 0.00 C ATOM 2286 ND1 HIS B 505 2.146 4.534 33.201 1.00 0.00 N ATOM 2287 CD2 HIS B 505 1.794 2.401 33.514 1.00 0.00 C ATOM 2288 CE1 HIS B 505 0.853 4.380 33.424 1.00 0.00 C ATOM 2289 NE2 HIS B 505 0.614 3.096 33.616 1.00 0.00 N ATOM 0 H HIS B 505 5.288 5.021 34.533 1.00 0.00 H new ATOM 0 HA HIS B 505 4.543 2.195 34.955 1.00 0.00 H new ATOM 0 HB2 HIS B 505 4.631 3.987 32.501 1.00 0.00 H new ATOM 0 HB3 HIS B 505 4.404 2.252 32.405 1.00 0.00 H new ATOM 0 HD2 HIS B 505 1.921 1.334 33.622 1.00 0.00 H new ATOM 0 HE1 HIS B 505 0.117 5.170 33.446 1.00 0.00 H new ATOM 0 HE2 HIS B 505 -0.300 2.686 33.809 1.00 0.00 H new ATOM 2298 N MET B 506 6.612 1.144 33.944 1.00 0.00 N ATOM 2299 CA MET B 506 7.911 0.532 33.647 1.00 0.00 C ATOM 2300 C MET B 506 7.813 -0.430 32.461 1.00 0.00 C ATOM 2301 O MET B 506 8.694 -0.444 31.596 1.00 0.00 O ATOM 2302 CB MET B 506 8.452 -0.207 34.878 1.00 0.00 C ATOM 2303 CG MET B 506 8.948 0.714 35.985 1.00 0.00 C ATOM 2304 SD MET B 506 10.362 1.713 35.479 1.00 0.00 S ATOM 2305 CE MET B 506 10.677 2.638 36.980 1.00 0.00 C ATOM 0 H MET B 506 5.857 0.473 34.084 1.00 0.00 H new ATOM 0 HA MET B 506 8.601 1.333 33.381 1.00 0.00 H new ATOM 0 HB2 MET B 506 7.667 -0.849 35.278 1.00 0.00 H new ATOM 0 HB3 MET B 506 9.269 -0.858 34.568 1.00 0.00 H new ATOM 0 HG2 MET B 506 8.136 1.372 36.295 1.00 0.00 H new ATOM 0 HG3 MET B 506 9.223 0.116 36.854 1.00 0.00 H new ATOM 0 HE1 MET B 506 11.526 3.303 36.826 1.00 0.00 H new ATOM 0 HE2 MET B 506 9.796 3.227 37.236 1.00 0.00 H new ATOM 0 HE3 MET B 506 10.900 1.947 37.793 1.00 0.00 H new ATOM 2315 N ARG B 507 6.737 -1.228 32.430 1.00 0.00 N ATOM 2316 CA ARG B 507 6.513 -2.197 31.356 1.00 0.00 C ATOM 2317 C ARG B 507 5.190 -1.906 30.621 1.00 0.00 C ATOM 2318 O ARG B 507 4.119 -2.008 31.230 1.00 0.00 O ATOM 2319 CB ARG B 507 6.502 -3.626 31.919 1.00 0.00 C ATOM 2320 CG ARG B 507 7.877 -4.140 32.321 1.00 0.00 C ATOM 2321 CD ARG B 507 7.803 -5.555 32.872 1.00 0.00 C ATOM 2322 NE ARG B 507 9.123 -6.062 33.265 1.00 0.00 N ATOM 2323 CZ ARG B 507 9.349 -7.272 33.796 1.00 0.00 C ATOM 2324 NH1 ARG B 507 8.352 -8.129 34.011 1.00 0.00 N ATOM 2325 NH2 ARG B 507 10.587 -7.626 34.114 1.00 0.00 N ATOM 0 H ARG B 507 6.006 -1.219 33.142 1.00 0.00 H new ATOM 0 HA ARG B 507 7.331 -2.106 30.641 1.00 0.00 H new ATOM 0 HB2 ARG B 507 5.844 -3.659 32.788 1.00 0.00 H new ATOM 0 HB3 ARG B 507 6.078 -4.297 31.172 1.00 0.00 H new ATOM 0 HG2 ARG B 507 8.541 -4.119 31.457 1.00 0.00 H new ATOM 0 HG3 ARG B 507 8.309 -3.478 33.072 1.00 0.00 H new ATOM 0 HD2 ARG B 507 7.136 -5.574 33.734 1.00 0.00 H new ATOM 0 HD3 ARG B 507 7.371 -6.215 32.120 1.00 0.00 H new ATOM 0 HE ARG B 507 9.926 -5.450 33.124 1.00 0.00 H new ATOM 0 HH11 ARG B 507 7.395 -7.869 33.771 1.00 0.00 H new ATOM 0 HH12 ARG B 507 8.545 -9.045 34.416 1.00 0.00 H new ATOM 0 HH21 ARG B 507 11.359 -6.979 33.954 1.00 0.00 H new ATOM 0 HH22 ARG B 507 10.767 -8.545 34.518 1.00 0.00 H new ATOM 2339 N PRO B 508 5.229 -1.523 29.300 1.00 0.00 N ATOM 2340 CA PRO B 508 4.005 -1.236 28.516 1.00 0.00 C ATOM 2341 C PRO B 508 3.131 -2.474 28.301 1.00 0.00 C ATOM 2342 O PRO B 508 3.617 -3.606 28.383 1.00 0.00 O ATOM 2343 CB PRO B 508 4.535 -0.735 27.164 1.00 0.00 C ATOM 2344 CG PRO B 508 5.965 -0.389 27.393 1.00 0.00 C ATOM 2345 CD PRO B 508 6.445 -1.310 28.476 1.00 0.00 C ATOM 0 HA PRO B 508 3.369 -0.520 29.036 1.00 0.00 H new ATOM 0 HB2 PRO B 508 4.436 -1.503 26.396 1.00 0.00 H new ATOM 0 HB3 PRO B 508 3.973 0.133 26.821 1.00 0.00 H new ATOM 0 HG2 PRO B 508 6.549 -0.520 26.482 1.00 0.00 H new ATOM 0 HG3 PRO B 508 6.071 0.654 27.692 1.00 0.00 H new ATOM 0 HD2 PRO B 508 6.825 -2.247 28.069 1.00 0.00 H new ATOM 0 HD3 PRO B 508 7.252 -0.863 29.057 1.00 0.00 H new ATOM 2353 N LYS B 509 1.843 -2.241 28.028 1.00 0.00 N ATOM 2354 CA LYS B 509 0.882 -3.325 27.799 1.00 0.00 C ATOM 2355 C LYS B 509 0.229 -3.203 26.420 1.00 0.00 C ATOM 2356 O LYS B 509 -0.146 -2.106 25.999 1.00 0.00 O ATOM 2357 CB LYS B 509 -0.191 -3.361 28.912 1.00 0.00 C ATOM 2358 CG LYS B 509 -0.891 -2.028 29.190 1.00 0.00 C ATOM 2359 CD LYS B 509 -1.937 -2.165 30.284 1.00 0.00 C ATOM 2360 CE LYS B 509 -2.637 -0.843 30.554 1.00 0.00 C ATOM 2361 NZ LYS B 509 -3.667 -0.968 31.622 1.00 0.00 N ATOM 0 H LYS B 509 1.440 -1.306 27.960 1.00 0.00 H new ATOM 0 HA LYS B 509 1.432 -4.266 27.829 1.00 0.00 H new ATOM 0 HB2 LYS B 509 -0.946 -4.100 28.642 1.00 0.00 H new ATOM 0 HB3 LYS B 509 0.277 -3.706 29.834 1.00 0.00 H new ATOM 0 HG2 LYS B 509 -0.152 -1.282 29.483 1.00 0.00 H new ATOM 0 HG3 LYS B 509 -1.364 -1.667 28.277 1.00 0.00 H new ATOM 0 HD2 LYS B 509 -2.673 -2.915 29.993 1.00 0.00 H new ATOM 0 HD3 LYS B 509 -1.464 -2.521 31.199 1.00 0.00 H new ATOM 0 HE2 LYS B 509 -1.900 -0.095 30.846 1.00 0.00 H new ATOM 0 HE3 LYS B 509 -3.106 -0.487 29.637 1.00 0.00 H new ATOM 0 HZ1 LYS B 509 -4.121 -0.045 31.776 1.00 0.00 H new ATOM 0 HZ2 LYS B 509 -4.385 -1.663 31.333 1.00 0.00 H new ATOM 0 HZ3 LYS B 509 -3.216 -1.283 32.504 1.00 0.00 H new ATOM 2375 N ARG B 510 0.095 -4.354 25.727 1.00 0.00 N ATOM 2376 CA ARG B 510 -0.513 -4.444 24.375 1.00 0.00 C ATOM 2377 C ARG B 510 0.291 -3.667 23.327 1.00 0.00 C ATOM 2378 O ARG B 510 0.651 -2.506 23.541 1.00 0.00 O ATOM 2379 CB ARG B 510 -1.976 -3.963 24.371 1.00 0.00 C ATOM 2380 CG ARG B 510 -2.936 -4.911 25.075 1.00 0.00 C ATOM 2381 CD ARG B 510 -4.367 -4.404 25.010 1.00 0.00 C ATOM 2382 NE ARG B 510 -5.305 -5.318 25.672 1.00 0.00 N ATOM 2383 CZ ARG B 510 -6.640 -5.190 25.651 1.00 0.00 C ATOM 2384 NH1 ARG B 510 -7.226 -4.185 25.002 1.00 0.00 N ATOM 2385 NH2 ARG B 510 -7.392 -6.078 26.286 1.00 0.00 N ATOM 0 H ARG B 510 0.407 -5.255 26.089 1.00 0.00 H new ATOM 0 HA ARG B 510 -0.494 -5.500 24.106 1.00 0.00 H new ATOM 0 HB2 ARG B 510 -2.029 -2.985 24.850 1.00 0.00 H new ATOM 0 HB3 ARG B 510 -2.302 -3.830 23.339 1.00 0.00 H new ATOM 0 HG2 ARG B 510 -2.877 -5.898 24.615 1.00 0.00 H new ATOM 0 HG3 ARG B 510 -2.637 -5.026 26.117 1.00 0.00 H new ATOM 0 HD2 ARG B 510 -4.425 -3.422 25.480 1.00 0.00 H new ATOM 0 HD3 ARG B 510 -4.659 -4.277 23.968 1.00 0.00 H new ATOM 0 HE ARG B 510 -4.913 -6.108 26.185 1.00 0.00 H new ATOM 0 HH11 ARG B 510 -6.658 -3.496 24.509 1.00 0.00 H new ATOM 0 HH12 ARG B 510 -8.243 -4.105 24.998 1.00 0.00 H new ATOM 0 HH21 ARG B 510 -6.955 -6.852 26.786 1.00 0.00 H new ATOM 0 HH22 ARG B 510 -8.408 -5.987 26.275 1.00 0.00 H new ATOM 2399 N ARG B 511 0.559 -4.326 22.195 1.00 0.00 N ATOM 2400 CA ARG B 511 1.316 -3.721 21.098 1.00 0.00 C ATOM 2401 C ARG B 511 0.407 -3.427 19.908 1.00 0.00 C ATOM 2402 O ARG B 511 -0.478 -4.225 19.584 1.00 0.00 O ATOM 2403 CB ARG B 511 2.461 -4.641 20.661 1.00 0.00 C ATOM 2404 CG ARG B 511 3.618 -4.698 21.649 1.00 0.00 C ATOM 2405 CD ARG B 511 4.721 -5.624 21.161 1.00 0.00 C ATOM 2406 NE ARG B 511 5.841 -5.690 22.105 1.00 0.00 N ATOM 2407 CZ ARG B 511 6.961 -6.403 21.913 1.00 0.00 C ATOM 2408 NH1 ARG B 511 7.137 -7.126 20.809 1.00 0.00 N ATOM 2409 NH2 ARG B 511 7.912 -6.389 22.837 1.00 0.00 N ATOM 0 H ARG B 511 0.260 -5.285 22.016 1.00 0.00 H new ATOM 0 HA ARG B 511 1.734 -2.781 21.459 1.00 0.00 H new ATOM 0 HB2 ARG B 511 2.070 -5.648 20.516 1.00 0.00 H new ATOM 0 HB3 ARG B 511 2.837 -4.303 19.695 1.00 0.00 H new ATOM 0 HG2 ARG B 511 4.021 -3.696 21.797 1.00 0.00 H new ATOM 0 HG3 ARG B 511 3.255 -5.042 22.617 1.00 0.00 H new ATOM 0 HD2 ARG B 511 4.314 -6.624 21.010 1.00 0.00 H new ATOM 0 HD3 ARG B 511 5.083 -5.278 20.193 1.00 0.00 H new ATOM 0 HE ARG B 511 5.763 -5.155 22.970 1.00 0.00 H new ATOM 0 HH11 ARG B 511 6.413 -7.144 20.091 1.00 0.00 H new ATOM 0 HH12 ARG B 511 7.996 -7.661 20.682 1.00 0.00 H new ATOM 0 HH21 ARG B 511 7.789 -5.839 23.687 1.00 0.00 H new ATOM 0 HH22 ARG B 511 8.766 -6.929 22.698 1.00 0.00 H new ATOM 2423 N GLU B 512 0.637 -2.277 19.268 1.00 0.00 N ATOM 2424 CA GLU B 512 -0.151 -1.857 18.108 1.00 0.00 C ATOM 2425 C GLU B 512 0.608 -2.141 16.810 1.00 0.00 C ATOM 2426 O GLU B 512 1.843 -2.165 16.798 1.00 0.00 O ATOM 2427 CB GLU B 512 -0.489 -0.365 18.212 1.00 0.00 C ATOM 2428 CG GLU B 512 -1.836 0.006 17.607 1.00 0.00 C ATOM 2429 CD GLU B 512 -2.205 1.457 17.851 1.00 0.00 C ATOM 2430 OE1 GLU B 512 -2.762 1.755 18.928 1.00 0.00 O ATOM 2431 OE2 GLU B 512 -1.937 2.295 16.964 1.00 0.00 O ATOM 0 H GLU B 512 1.367 -1.617 19.537 1.00 0.00 H new ATOM 0 HA GLU B 512 -1.079 -2.428 18.094 1.00 0.00 H new ATOM 0 HB2 GLU B 512 -0.481 -0.073 19.262 1.00 0.00 H new ATOM 0 HB3 GLU B 512 0.292 0.210 17.715 1.00 0.00 H new ATOM 0 HG2 GLU B 512 -1.813 -0.184 16.534 1.00 0.00 H new ATOM 0 HG3 GLU B 512 -2.609 -0.637 18.028 1.00 0.00 H new ATOM 2438 N ILE B 513 -0.144 -2.352 15.725 1.00 0.00 N ATOM 2439 CA ILE B 513 0.443 -2.643 14.410 1.00 0.00 C ATOM 2440 C ILE B 513 0.584 -1.364 13.557 1.00 0.00 C ATOM 2441 O ILE B 513 -0.347 -0.554 13.527 1.00 0.00 O ATOM 2442 CB ILE B 513 -0.365 -3.718 13.617 1.00 0.00 C ATOM 2443 CG1 ILE B 513 -1.889 -3.471 13.656 1.00 0.00 C ATOM 2444 CG2 ILE B 513 -0.050 -5.109 14.149 1.00 0.00 C ATOM 2445 CD1 ILE B 513 -2.402 -2.612 12.518 1.00 0.00 C ATOM 0 H ILE B 513 -1.164 -2.327 15.730 1.00 0.00 H new ATOM 0 HA ILE B 513 1.435 -3.049 14.609 1.00 0.00 H new ATOM 0 HB ILE B 513 -0.055 -3.641 12.575 1.00 0.00 H new ATOM 0 HG12 ILE B 513 -2.403 -4.432 13.633 1.00 0.00 H new ATOM 0 HG13 ILE B 513 -2.146 -2.994 14.602 1.00 0.00 H new ATOM 0 HG21 ILE B 513 -0.619 -5.850 13.588 1.00 0.00 H new ATOM 0 HG22 ILE B 513 1.016 -5.309 14.037 1.00 0.00 H new ATOM 0 HG23 ILE B 513 -0.321 -5.165 15.203 1.00 0.00 H new ATOM 0 HD11 ILE B 513 -3.480 -2.485 12.616 1.00 0.00 H new ATOM 0 HD12 ILE B 513 -1.917 -1.637 12.551 1.00 0.00 H new ATOM 0 HD13 ILE B 513 -2.179 -3.096 11.567 1.00 0.00 H new ATOM 2457 N PRO B 514 1.744 -1.152 12.849 1.00 0.00 N ATOM 2458 CA PRO B 514 1.953 0.044 12.002 1.00 0.00 C ATOM 2459 C PRO B 514 1.150 -0.013 10.694 1.00 0.00 C ATOM 2460 O PRO B 514 0.467 -1.006 10.424 1.00 0.00 O ATOM 2461 CB PRO B 514 3.467 0.026 11.701 1.00 0.00 C ATOM 2462 CG PRO B 514 4.050 -1.051 12.554 1.00 0.00 C ATOM 2463 CD PRO B 514 2.940 -2.024 12.815 1.00 0.00 C ATOM 0 HA PRO B 514 1.618 0.951 12.504 1.00 0.00 H new ATOM 0 HB2 PRO B 514 3.651 -0.172 10.645 1.00 0.00 H new ATOM 0 HB3 PRO B 514 3.920 0.991 11.929 1.00 0.00 H new ATOM 0 HG2 PRO B 514 4.884 -1.538 12.050 1.00 0.00 H new ATOM 0 HG3 PRO B 514 4.437 -0.642 13.487 1.00 0.00 H new ATOM 0 HD2 PRO B 514 2.869 -2.778 12.031 1.00 0.00 H new ATOM 0 HD3 PRO B 514 3.080 -2.556 13.756 1.00 0.00 H new ATOM 2471 N LEU B 515 1.242 1.060 9.888 1.00 0.00 N ATOM 2472 CA LEU B 515 0.531 1.146 8.605 1.00 0.00 C ATOM 2473 C LEU B 515 1.258 0.356 7.501 1.00 0.00 C ATOM 2474 O LEU B 515 0.778 -0.702 7.085 1.00 0.00 O ATOM 2475 CB LEU B 515 0.308 2.614 8.192 1.00 0.00 C ATOM 2476 CG LEU B 515 1.516 3.552 8.316 1.00 0.00 C ATOM 2477 CD1 LEU B 515 2.002 4.002 6.945 1.00 0.00 C ATOM 2478 CD2 LEU B 515 1.182 4.715 9.237 1.00 0.00 C ATOM 0 H LEU B 515 1.805 1.882 10.106 1.00 0.00 H new ATOM 0 HA LEU B 515 -0.448 0.686 8.740 1.00 0.00 H new ATOM 0 HB2 LEU B 515 -0.031 2.629 7.156 1.00 0.00 H new ATOM 0 HB3 LEU B 515 -0.502 3.019 8.798 1.00 0.00 H new ATOM 0 HG LEU B 515 2.346 3.010 8.769 1.00 0.00 H new ATOM 0 HD11 LEU B 515 2.859 4.666 7.062 1.00 0.00 H new ATOM 0 HD12 LEU B 515 2.295 3.131 6.359 1.00 0.00 H new ATOM 0 HD13 LEU B 515 1.200 4.532 6.431 1.00 0.00 H new ATOM 0 HD21 LEU B 515 2.046 5.375 9.318 1.00 0.00 H new ATOM 0 HD22 LEU B 515 0.338 5.271 8.829 1.00 0.00 H new ATOM 0 HD23 LEU B 515 0.922 4.334 10.225 1.00 0.00 H new ATOM 2490 N LYS B 516 2.429 0.875 7.060 1.00 0.00 N ATOM 2491 CA LYS B 516 3.285 0.277 6.010 1.00 0.00 C ATOM 2492 C LYS B 516 2.514 -0.454 4.882 1.00 0.00 C ATOM 2493 O LYS B 516 2.996 -1.455 4.334 1.00 0.00 O ATOM 2494 CB LYS B 516 4.296 -0.652 6.683 1.00 0.00 C ATOM 2495 CG LYS B 516 5.608 0.030 7.030 1.00 0.00 C ATOM 2496 CD LYS B 516 6.534 -0.900 7.802 1.00 0.00 C ATOM 2497 CE LYS B 516 7.790 -0.181 8.276 1.00 0.00 C ATOM 2498 NZ LYS B 516 8.730 0.110 7.156 1.00 0.00 N ATOM 0 H LYS B 516 2.813 1.743 7.435 1.00 0.00 H new ATOM 0 HA LYS B 516 3.788 1.097 5.498 1.00 0.00 H new ATOM 0 HB2 LYS B 516 3.855 -1.058 7.593 1.00 0.00 H new ATOM 0 HB3 LYS B 516 4.498 -1.496 6.023 1.00 0.00 H new ATOM 0 HG2 LYS B 516 6.101 0.359 6.115 1.00 0.00 H new ATOM 0 HG3 LYS B 516 5.409 0.922 7.624 1.00 0.00 H new ATOM 0 HD2 LYS B 516 6.004 -1.310 8.661 1.00 0.00 H new ATOM 0 HD3 LYS B 516 6.814 -1.742 7.169 1.00 0.00 H new ATOM 0 HE2 LYS B 516 7.510 0.752 8.764 1.00 0.00 H new ATOM 0 HE3 LYS B 516 8.296 -0.792 9.023 1.00 0.00 H new ATOM 0 HZ1 LYS B 516 9.610 -0.427 7.293 1.00 0.00 H new ATOM 0 HZ2 LYS B 516 8.292 -0.167 6.254 1.00 0.00 H new ATOM 0 HZ3 LYS B 516 8.945 1.127 7.138 1.00 0.00 H new ATOM 2512 N VAL B 517 1.329 0.067 4.527 1.00 0.00 N ATOM 2513 CA VAL B 517 0.504 -0.534 3.470 1.00 0.00 C ATOM 2514 C VAL B 517 -0.266 0.506 2.665 1.00 0.00 C ATOM 2515 O VAL B 517 -0.447 0.360 1.459 1.00 0.00 O ATOM 2516 CB VAL B 517 -0.494 -1.606 4.018 1.00 0.00 C ATOM 2517 CG1 VAL B 517 -1.495 -0.990 4.998 1.00 0.00 C ATOM 2518 CG2 VAL B 517 -1.209 -2.298 2.854 1.00 0.00 C ATOM 0 H VAL B 517 0.923 0.899 4.955 1.00 0.00 H new ATOM 0 HA VAL B 517 1.215 -1.030 2.809 1.00 0.00 H new ATOM 0 HB VAL B 517 0.074 -2.354 4.571 1.00 0.00 H new ATOM 0 HG11 VAL B 517 -2.173 -1.763 5.359 1.00 0.00 H new ATOM 0 HG12 VAL B 517 -0.958 -0.555 5.841 1.00 0.00 H new ATOM 0 HG13 VAL B 517 -2.067 -0.212 4.493 1.00 0.00 H new ATOM 0 HG21 VAL B 517 -1.902 -3.043 3.244 1.00 0.00 H new ATOM 0 HG22 VAL B 517 -1.760 -1.558 2.274 1.00 0.00 H new ATOM 0 HG23 VAL B 517 -0.474 -2.786 2.214 1.00 0.00 H new ATOM 2528 N LEU B 518 -0.724 1.529 3.353 1.00 0.00 N ATOM 2529 CA LEU B 518 -1.502 2.606 2.766 1.00 0.00 C ATOM 2530 C LEU B 518 -0.737 3.385 1.681 1.00 0.00 C ATOM 2531 O LEU B 518 -1.225 4.385 1.148 1.00 0.00 O ATOM 2532 CB LEU B 518 -1.989 3.501 3.899 1.00 0.00 C ATOM 2533 CG LEU B 518 -3.120 2.924 4.803 1.00 0.00 C ATOM 2534 CD1 LEU B 518 -3.996 1.893 4.080 1.00 0.00 C ATOM 2535 CD2 LEU B 518 -2.531 2.307 6.063 1.00 0.00 C ATOM 0 H LEU B 518 -0.565 1.641 4.354 1.00 0.00 H new ATOM 0 HA LEU B 518 -2.356 2.184 2.236 1.00 0.00 H new ATOM 0 HB2 LEU B 518 -1.136 3.744 4.533 1.00 0.00 H new ATOM 0 HB3 LEU B 518 -2.342 4.437 3.467 1.00 0.00 H new ATOM 0 HG LEU B 518 -3.763 3.763 5.068 1.00 0.00 H new ATOM 0 HD11 LEU B 518 -4.765 1.528 4.761 1.00 0.00 H new ATOM 0 HD12 LEU B 518 -4.468 2.359 3.215 1.00 0.00 H new ATOM 0 HD13 LEU B 518 -3.378 1.058 3.749 1.00 0.00 H new ATOM 0 HD21 LEU B 518 -3.334 1.909 6.683 1.00 0.00 H new ATOM 0 HD22 LEU B 518 -1.850 1.501 5.789 1.00 0.00 H new ATOM 0 HD23 LEU B 518 -1.986 3.069 6.621 1.00 0.00 H new ATOM 2547 N VAL B 519 0.461 2.891 1.373 1.00 0.00 N ATOM 2548 CA VAL B 519 1.326 3.436 0.332 1.00 0.00 C ATOM 2549 C VAL B 519 1.951 2.261 -0.418 1.00 0.00 C ATOM 2550 O VAL B 519 2.173 2.337 -1.629 1.00 0.00 O ATOM 2551 CB VAL B 519 2.423 4.392 0.892 1.00 0.00 C ATOM 2552 CG1 VAL B 519 3.253 5.011 -0.235 1.00 0.00 C ATOM 2553 CG2 VAL B 519 1.810 5.513 1.727 1.00 0.00 C ATOM 0 H VAL B 519 0.864 2.085 1.850 1.00 0.00 H new ATOM 0 HA VAL B 519 0.725 4.048 -0.340 1.00 0.00 H new ATOM 0 HB VAL B 519 3.072 3.786 1.524 1.00 0.00 H new ATOM 0 HG11 VAL B 519 4.008 5.672 0.190 1.00 0.00 H new ATOM 0 HG12 VAL B 519 3.742 4.220 -0.804 1.00 0.00 H new ATOM 0 HG13 VAL B 519 2.601 5.583 -0.895 1.00 0.00 H new ATOM 0 HG21 VAL B 519 2.602 6.162 2.102 1.00 0.00 H new ATOM 0 HG22 VAL B 519 1.127 6.095 1.109 1.00 0.00 H new ATOM 0 HG23 VAL B 519 1.264 5.084 2.567 1.00 0.00 H new ATOM 2563 N LYS B 520 2.239 1.176 0.323 1.00 0.00 N ATOM 2564 CA LYS B 520 2.778 -0.041 -0.250 1.00 0.00 C ATOM 2565 C LYS B 520 1.747 -0.759 -1.113 1.00 0.00 C ATOM 2566 O LYS B 520 2.099 -1.461 -2.065 1.00 0.00 O ATOM 2567 CB LYS B 520 3.260 -0.959 0.858 1.00 0.00 C ATOM 2568 CG LYS B 520 4.703 -1.396 0.672 1.00 0.00 C ATOM 2569 CD LYS B 520 4.946 -2.089 -0.679 1.00 0.00 C ATOM 2570 CE LYS B 520 6.430 -2.207 -0.988 1.00 0.00 C ATOM 2571 NZ LYS B 520 6.672 -2.754 -2.352 1.00 0.00 N ATOM 0 H LYS B 520 2.100 1.132 1.333 1.00 0.00 H new ATOM 0 HA LYS B 520 3.616 0.230 -0.892 1.00 0.00 H new ATOM 0 HB2 LYS B 520 3.160 -0.449 1.816 1.00 0.00 H new ATOM 0 HB3 LYS B 520 2.620 -1.840 0.898 1.00 0.00 H new ATOM 0 HG2 LYS B 520 5.355 -0.526 0.751 1.00 0.00 H new ATOM 0 HG3 LYS B 520 4.979 -2.075 1.479 1.00 0.00 H new ATOM 0 HD2 LYS B 520 4.496 -3.082 -0.665 1.00 0.00 H new ATOM 0 HD3 LYS B 520 4.452 -1.526 -1.471 1.00 0.00 H new ATOM 0 HE2 LYS B 520 6.898 -1.226 -0.902 1.00 0.00 H new ATOM 0 HE3 LYS B 520 6.904 -2.852 -0.249 1.00 0.00 H new ATOM 0 HZ1 LYS B 520 7.696 -2.819 -2.524 1.00 0.00 H new ATOM 0 HZ2 LYS B 520 6.248 -3.701 -2.427 1.00 0.00 H new ATOM 0 HZ3 LYS B 520 6.242 -2.125 -3.060 1.00 0.00 H new ATOM 2585 N ALA B 521 0.469 -0.569 -0.760 1.00 0.00 N ATOM 2586 CA ALA B 521 -0.648 -1.129 -1.513 1.00 0.00 C ATOM 2587 C ALA B 521 -1.000 -0.164 -2.647 1.00 0.00 C ATOM 2588 O ALA B 521 -2.090 -0.187 -3.232 1.00 0.00 O ATOM 2589 CB ALA B 521 -1.825 -1.371 -0.593 1.00 0.00 C ATOM 0 H ALA B 521 0.186 -0.023 0.054 1.00 0.00 H new ATOM 0 HA ALA B 521 -0.375 -2.092 -1.944 1.00 0.00 H new ATOM 0 HB1 ALA B 521 -2.654 -1.789 -1.165 1.00 0.00 H new ATOM 0 HB2 ALA B 521 -1.536 -2.070 0.191 1.00 0.00 H new ATOM 0 HB3 ALA B 521 -2.134 -0.428 -0.142 1.00 0.00 H new ATOM 2595 N VAL B 522 -0.001 0.662 -2.932 1.00 0.00 N ATOM 2596 CA VAL B 522 -0.037 1.691 -3.942 1.00 0.00 C ATOM 2597 C VAL B 522 1.227 1.584 -4.805 1.00 0.00 C ATOM 2598 O VAL B 522 1.218 2.002 -5.967 1.00 0.00 O ATOM 2599 CB VAL B 522 -0.154 3.132 -3.355 1.00 0.00 C ATOM 2600 CG1 VAL B 522 -0.644 4.104 -4.420 1.00 0.00 C ATOM 2601 CG2 VAL B 522 -1.085 3.182 -2.146 1.00 0.00 C ATOM 0 H VAL B 522 0.891 0.624 -2.439 1.00 0.00 H new ATOM 0 HA VAL B 522 -0.935 1.528 -4.538 1.00 0.00 H new ATOM 0 HB VAL B 522 0.842 3.426 -3.025 1.00 0.00 H new ATOM 0 HG11 VAL B 522 -0.720 5.104 -3.993 1.00 0.00 H new ATOM 0 HG12 VAL B 522 0.060 4.117 -5.252 1.00 0.00 H new ATOM 0 HG13 VAL B 522 -1.624 3.788 -4.778 1.00 0.00 H new ATOM 0 HG21 VAL B 522 -1.137 4.203 -1.769 1.00 0.00 H new ATOM 0 HG22 VAL B 522 -2.081 2.852 -2.440 1.00 0.00 H new ATOM 0 HG23 VAL B 522 -0.702 2.526 -1.364 1.00 0.00 H new ATOM 2611 N LEU B 523 2.323 1.018 -4.229 1.00 0.00 N ATOM 2612 CA LEU B 523 3.568 0.825 -4.969 1.00 0.00 C ATOM 2613 C LEU B 523 3.460 -0.460 -5.787 1.00 0.00 C ATOM 2614 O LEU B 523 4.330 -0.783 -6.599 1.00 0.00 O ATOM 2615 CB LEU B 523 4.769 0.751 -4.022 1.00 0.00 C ATOM 2616 CG LEU B 523 4.895 1.936 -3.063 1.00 0.00 C ATOM 2617 CD1 LEU B 523 5.595 1.527 -1.778 1.00 0.00 C ATOM 2618 CD2 LEU B 523 5.638 3.095 -3.705 1.00 0.00 C ATOM 0 H LEU B 523 2.354 0.695 -3.262 1.00 0.00 H new ATOM 0 HA LEU B 523 3.724 1.677 -5.631 1.00 0.00 H new ATOM 0 HB2 LEU B 523 4.699 -0.167 -3.438 1.00 0.00 H new ATOM 0 HB3 LEU B 523 5.680 0.682 -4.616 1.00 0.00 H new ATOM 0 HG LEU B 523 3.883 2.264 -2.825 1.00 0.00 H new ATOM 0 HD11 LEU B 523 5.671 2.389 -1.115 1.00 0.00 H new ATOM 0 HD12 LEU B 523 5.023 0.740 -1.287 1.00 0.00 H new ATOM 0 HD13 LEU B 523 6.594 1.158 -2.010 1.00 0.00 H new ATOM 0 HD21 LEU B 523 5.709 3.919 -2.995 1.00 0.00 H new ATOM 0 HD22 LEU B 523 6.640 2.773 -3.988 1.00 0.00 H new ATOM 0 HD23 LEU B 523 5.099 3.426 -4.593 1.00 0.00 H new ATOM 2630 N PHE B 524 2.360 -1.189 -5.534 1.00 0.00 N ATOM 2631 CA PHE B 524 2.053 -2.438 -6.220 1.00 0.00 C ATOM 2632 C PHE B 524 1.584 -2.184 -7.665 1.00 0.00 C ATOM 2633 O PHE B 524 1.751 -3.042 -8.537 1.00 0.00 O ATOM 2634 CB PHE B 524 0.989 -3.213 -5.406 1.00 0.00 C ATOM 2635 CG PHE B 524 -0.217 -3.667 -6.187 1.00 0.00 C ATOM 2636 CD1 PHE B 524 -0.220 -4.891 -6.832 1.00 0.00 C ATOM 2637 CD2 PHE B 524 -1.337 -2.859 -6.280 1.00 0.00 C ATOM 2638 CE1 PHE B 524 -1.321 -5.303 -7.558 1.00 0.00 C ATOM 2639 CE2 PHE B 524 -2.442 -3.264 -7.004 1.00 0.00 C ATOM 2640 CZ PHE B 524 -2.434 -4.488 -7.644 1.00 0.00 C ATOM 0 H PHE B 524 1.660 -0.920 -4.843 1.00 0.00 H new ATOM 0 HA PHE B 524 2.958 -3.042 -6.288 1.00 0.00 H new ATOM 0 HB2 PHE B 524 1.463 -4.088 -4.961 1.00 0.00 H new ATOM 0 HB3 PHE B 524 0.652 -2.580 -4.585 1.00 0.00 H new ATOM 0 HD1 PHE B 524 0.647 -5.531 -6.767 1.00 0.00 H new ATOM 0 HD2 PHE B 524 -1.347 -1.901 -5.781 1.00 0.00 H new ATOM 0 HE1 PHE B 524 -1.312 -6.260 -8.058 1.00 0.00 H new ATOM 0 HE2 PHE B 524 -3.310 -2.625 -7.069 1.00 0.00 H new ATOM 0 HZ PHE B 524 -3.296 -4.808 -8.211 1.00 0.00 H new ATOM 2650 N ALA B 525 0.994 -1.007 -7.893 1.00 0.00 N ATOM 2651 CA ALA B 525 0.479 -0.639 -9.208 1.00 0.00 C ATOM 2652 C ALA B 525 1.390 0.353 -9.947 1.00 0.00 C ATOM 2653 O ALA B 525 1.071 0.774 -11.066 1.00 0.00 O ATOM 2654 CB ALA B 525 -0.927 -0.070 -9.065 1.00 0.00 C ATOM 0 H ALA B 525 0.862 -0.292 -7.178 1.00 0.00 H new ATOM 0 HA ALA B 525 0.452 -1.544 -9.814 1.00 0.00 H new ATOM 0 HB1 ALA B 525 -1.310 0.204 -10.048 1.00 0.00 H new ATOM 0 HB2 ALA B 525 -1.579 -0.820 -8.618 1.00 0.00 H new ATOM 0 HB3 ALA B 525 -0.899 0.813 -8.427 1.00 0.00 H new ATOM 2660 N CYS B 526 2.531 0.714 -9.333 1.00 0.00 N ATOM 2661 CA CYS B 526 3.479 1.660 -9.944 1.00 0.00 C ATOM 2662 C CYS B 526 4.320 1.014 -11.065 1.00 0.00 C ATOM 2663 O CYS B 526 5.103 1.704 -11.728 1.00 0.00 O ATOM 2664 CB CYS B 526 4.409 2.251 -8.871 1.00 0.00 C ATOM 2665 SG CYS B 526 5.647 1.097 -8.227 1.00 0.00 S ATOM 0 H CYS B 526 2.817 0.366 -8.418 1.00 0.00 H new ATOM 0 HA CYS B 526 2.886 2.454 -10.397 1.00 0.00 H new ATOM 0 HB2 CYS B 526 4.922 3.117 -9.290 1.00 0.00 H new ATOM 0 HB3 CYS B 526 3.801 2.612 -8.041 1.00 0.00 H new ATOM 0 HG CYS B 526 5.051 0.121 -7.609 1.00 0.00 H new ATOM 2671 N MET B 527 4.146 -0.300 -11.280 1.00 0.00 N ATOM 2672 CA MET B 527 4.915 -1.020 -12.309 1.00 0.00 C ATOM 2673 C MET B 527 4.038 -1.846 -13.267 1.00 0.00 C ATOM 2674 O MET B 527 4.559 -2.419 -14.231 1.00 0.00 O ATOM 2675 CB MET B 527 5.999 -1.923 -11.672 1.00 0.00 C ATOM 2676 CG MET B 527 5.775 -2.275 -10.205 1.00 0.00 C ATOM 2677 SD MET B 527 4.408 -3.417 -9.948 1.00 0.00 S ATOM 2678 CE MET B 527 4.671 -3.844 -8.229 1.00 0.00 C ATOM 0 H MET B 527 3.487 -0.881 -10.761 1.00 0.00 H new ATOM 0 HA MET B 527 5.395 -0.246 -12.907 1.00 0.00 H new ATOM 0 HB2 MET B 527 6.060 -2.848 -12.245 1.00 0.00 H new ATOM 0 HB3 MET B 527 6.964 -1.425 -11.766 1.00 0.00 H new ATOM 0 HG2 MET B 527 6.687 -2.714 -9.800 1.00 0.00 H new ATOM 0 HG3 MET B 527 5.585 -1.360 -9.644 1.00 0.00 H new ATOM 0 HE1 MET B 527 3.926 -4.576 -7.918 1.00 0.00 H new ATOM 0 HE2 MET B 527 5.668 -4.267 -8.108 1.00 0.00 H new ATOM 0 HE3 MET B 527 4.579 -2.949 -7.614 1.00 0.00 H new ATOM 2688 N LEU B 528 2.713 -1.906 -13.023 1.00 0.00 N ATOM 2689 CA LEU B 528 1.789 -2.666 -13.892 1.00 0.00 C ATOM 2690 C LEU B 528 1.783 -2.154 -15.340 1.00 0.00 C ATOM 2691 O LEU B 528 1.636 -2.939 -16.281 1.00 0.00 O ATOM 2692 CB LEU B 528 0.359 -2.627 -13.350 1.00 0.00 C ATOM 2693 CG LEU B 528 0.187 -3.190 -11.944 1.00 0.00 C ATOM 2694 CD1 LEU B 528 -1.133 -2.732 -11.342 1.00 0.00 C ATOM 2695 CD2 LEU B 528 0.265 -4.707 -11.931 1.00 0.00 C ATOM 0 H LEU B 528 2.260 -1.441 -12.236 1.00 0.00 H new ATOM 0 HA LEU B 528 2.158 -3.692 -13.891 1.00 0.00 H new ATOM 0 HB2 LEU B 528 0.012 -1.594 -13.356 1.00 0.00 H new ATOM 0 HB3 LEU B 528 -0.286 -3.184 -14.029 1.00 0.00 H new ATOM 0 HG LEU B 528 1.009 -2.807 -11.339 1.00 0.00 H new ATOM 0 HD11 LEU B 528 -1.238 -3.144 -10.338 1.00 0.00 H new ATOM 0 HD12 LEU B 528 -1.151 -1.643 -11.291 1.00 0.00 H new ATOM 0 HD13 LEU B 528 -1.957 -3.080 -11.965 1.00 0.00 H new ATOM 0 HD21 LEU B 528 0.138 -5.069 -10.911 1.00 0.00 H new ATOM 0 HD22 LEU B 528 -0.523 -5.117 -12.563 1.00 0.00 H new ATOM 0 HD23 LEU B 528 1.236 -5.025 -12.310 1.00 0.00 H new ATOM 2707 N MET B 529 1.948 -0.832 -15.498 1.00 0.00 N ATOM 2708 CA MET B 529 1.955 -0.183 -16.821 1.00 0.00 C ATOM 2709 C MET B 529 3.331 -0.278 -17.517 1.00 0.00 C ATOM 2710 O MET B 529 3.542 0.323 -18.577 1.00 0.00 O ATOM 2711 CB MET B 529 1.497 1.290 -16.703 1.00 0.00 C ATOM 2712 CG MET B 529 2.244 2.118 -15.659 1.00 0.00 C ATOM 2713 SD MET B 529 1.664 3.823 -15.577 1.00 0.00 S ATOM 2714 CE MET B 529 2.725 4.480 -14.293 1.00 0.00 C ATOM 0 H MET B 529 2.079 -0.186 -14.720 1.00 0.00 H new ATOM 0 HA MET B 529 1.247 -0.723 -17.449 1.00 0.00 H new ATOM 0 HB2 MET B 529 1.612 1.769 -17.675 1.00 0.00 H new ATOM 0 HB3 MET B 529 0.434 1.306 -16.464 1.00 0.00 H new ATOM 0 HG2 MET B 529 2.128 1.652 -14.681 1.00 0.00 H new ATOM 0 HG3 MET B 529 3.309 2.112 -15.891 1.00 0.00 H new ATOM 0 HE1 MET B 529 2.487 5.531 -14.126 1.00 0.00 H new ATOM 0 HE2 MET B 529 2.568 3.921 -13.370 1.00 0.00 H new ATOM 0 HE3 MET B 529 3.767 4.389 -14.600 1.00 0.00 H new ATOM 2724 N ARG B 530 4.249 -1.051 -16.919 1.00 0.00 N ATOM 2725 CA ARG B 530 5.599 -1.236 -17.469 1.00 0.00 C ATOM 2726 C ARG B 530 5.655 -2.432 -18.423 1.00 0.00 C ATOM 2727 O ARG B 530 6.326 -2.374 -19.458 1.00 0.00 O ATOM 2728 CB ARG B 530 6.621 -1.421 -16.336 1.00 0.00 C ATOM 2729 CG ARG B 530 6.925 -0.147 -15.550 1.00 0.00 C ATOM 2730 CD ARG B 530 8.007 0.691 -16.219 1.00 0.00 C ATOM 2731 NE ARG B 530 8.285 1.926 -15.477 1.00 0.00 N ATOM 2732 CZ ARG B 530 9.074 2.919 -15.913 1.00 0.00 C ATOM 2733 NH1 ARG B 530 9.681 2.847 -17.097 1.00 0.00 N ATOM 2734 NH2 ARG B 530 9.254 3.992 -15.156 1.00 0.00 N ATOM 0 H ARG B 530 4.080 -1.560 -16.051 1.00 0.00 H new ATOM 0 HA ARG B 530 5.850 -0.338 -18.034 1.00 0.00 H new ATOM 0 HB2 ARG B 530 6.249 -2.179 -15.647 1.00 0.00 H new ATOM 0 HB3 ARG B 530 7.550 -1.803 -16.759 1.00 0.00 H new ATOM 0 HG2 ARG B 530 6.015 0.445 -15.454 1.00 0.00 H new ATOM 0 HG3 ARG B 530 7.242 -0.410 -14.541 1.00 0.00 H new ATOM 0 HD2 ARG B 530 8.922 0.104 -16.300 1.00 0.00 H new ATOM 0 HD3 ARG B 530 7.697 0.940 -17.234 1.00 0.00 H new ATOM 0 HE ARG B 530 7.846 2.037 -14.563 1.00 0.00 H new ATOM 0 HH11 ARG B 530 9.549 2.027 -17.689 1.00 0.00 H new ATOM 0 HH12 ARG B 530 10.277 3.612 -17.412 1.00 0.00 H new ATOM 0 HH21 ARG B 530 8.794 4.059 -14.248 1.00 0.00 H new ATOM 0 HH22 ARG B 530 9.853 4.751 -15.481 1.00 0.00 H new ATOM 2748 N LYS B 531 4.946 -3.512 -18.064 1.00 0.00 N ATOM 2749 CA LYS B 531 4.902 -4.731 -18.879 1.00 0.00 C ATOM 2750 C LYS B 531 3.706 -4.706 -19.833 1.00 0.00 C ATOM 2751 O LYS B 531 3.931 -4.749 -21.061 1.00 0.00 O ATOM 2752 CB LYS B 531 4.840 -5.992 -17.989 1.00 0.00 C ATOM 2753 CG LYS B 531 5.982 -6.136 -16.975 1.00 0.00 C ATOM 2754 CD LYS B 531 7.325 -6.448 -17.636 1.00 0.00 C ATOM 2755 CE LYS B 531 8.207 -5.210 -17.705 1.00 0.00 C ATOM 2756 NZ LYS B 531 9.445 -5.452 -18.496 1.00 0.00 N ATOM 2757 OXT LYS B 531 2.556 -4.632 -19.345 1.00 0.00 O ATOM 0 H LYS B 531 4.393 -3.564 -17.209 1.00 0.00 H new ATOM 0 HA LYS B 531 5.819 -4.767 -19.467 1.00 0.00 H new ATOM 0 HB2 LYS B 531 3.894 -5.988 -17.448 1.00 0.00 H new ATOM 0 HB3 LYS B 531 4.835 -6.871 -18.633 1.00 0.00 H new ATOM 0 HG2 LYS B 531 6.070 -5.214 -16.401 1.00 0.00 H new ATOM 0 HG3 LYS B 531 5.737 -6.929 -16.269 1.00 0.00 H new ATOM 0 HD2 LYS B 531 7.836 -7.231 -17.075 1.00 0.00 H new ATOM 0 HD3 LYS B 531 7.157 -6.834 -18.641 1.00 0.00 H new ATOM 0 HE2 LYS B 531 7.646 -4.389 -18.152 1.00 0.00 H new ATOM 0 HE3 LYS B 531 8.476 -4.900 -16.695 1.00 0.00 H new ATOM 0 HZ1 LYS B 531 10.203 -4.827 -18.155 1.00 0.00 H new ATOM 0 HZ2 LYS B 531 9.739 -6.444 -18.386 1.00 0.00 H new ATOM 0 HZ3 LYS B 531 9.259 -5.255 -19.500 1.00 0.00 H new TER 2771 LYS B 531