USER MOD reduce.3.24.130724 H: found=0, std=0, add=734, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 731 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 5 THR OG1 : rot 13:sc= 0.324 USER MOD Set 1.2: A 92 GLN : amide:sc= -0.0504 K(o=0.27,f=-0.39) USER MOD Set 2.1: A 4 SER OG : rot 123:sc= 0.464 USER MOD Set 2.2: A 71 GLN : amide:sc= -1.25! C(o=-0.79!,f=-0.97!) USER MOD Set 3.1: A 51 HIS : no HD1:sc= -4.96! C(o=-7.5!,f=-8.2!) USER MOD Set 3.2: A 54 HIS : no HD1:sc= -2.51! K(o=-7.5!,f=-8.4) USER MOD Set 4.1: A 10 THR OG1 : rot 101:sc= -2.49 USER MOD Set 4.2: A 81 MET CE :methyl -120:sc= -3.74 (180deg=-6.95!) USER MOD Set 5.1: A 6 SER OG : rot 157:sc= -0.563 USER MOD Set 5.2: A 57 MET CE :methyl 161:sc= -7.22! (180deg=-5.74!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 179:sc= -1.19 (180deg=-1.23) USER MOD Single : A 7 HIS :FLIP no HD1:sc= 0 F(o=-0.58,f=0) USER MOD Single : A 12 SER OG : rot -62:sc= 1.08 USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 ASN : amide:sc= -4.34! C(o=-4.3!,f=-9.3!) USER MOD Single : A 21 CYS SG : rot -54:sc= -5.65! USER MOD Single : A 22 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.00959) USER MOD Single : A 23 HIS : no HD1:sc= -0.0609 X(o=-0.061,f=-0.46) USER MOD Single : A 26 HIS : no HD1:sc= -0.345 X(o=-0.34,f=-0.16) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 SER OG : rot 180:sc= -0.702 USER MOD Single : A 45 ASN : amide:sc= -5! C(o=-5!,f=-8.8!) USER MOD Single : A 46 CYS SG : rot 45:sc= 1.18 USER MOD Single : A 60 ASN : amide:sc= -4.54 K(o=-4.5,f=-12!) USER MOD Single : A 61 SER OG : rot -71:sc= -7.26! USER MOD Single : A 66 SER OG : rot 100:sc= -1.89 USER MOD Single : A 69 HIS :FLIP no HD1:sc= -0.0116 F(o=-0.74,f=-0.012) USER MOD Single : A 70 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 72 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 77 HIS : no HD1:sc= -9.62! C(o=-9.6!,f=-11!) USER MOD Single : A 79 GLN :FLIP amide:sc= -0.52 F(o=-1.6,f=-0.52) USER MOD Single : A 83 ASN : amide:sc= -0.154 K(o=-0.15,f=-2.2!) USER MOD Single : A 84 SER OG : rot 101:sc= -0.049 USER MOD Single : A 86 SER OG : rot 180:sc= 0.0159 USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 7.455 15.179 -5.814 1.00 0.00 N ATOM 2 CA MET A 1 6.962 14.255 -4.757 1.00 0.00 C ATOM 3 C MET A 1 5.533 14.590 -4.344 1.00 0.00 C ATOM 4 O MET A 1 5.291 15.422 -3.470 1.00 0.00 O ATOM 5 CB MET A 1 7.916 14.316 -3.561 1.00 0.00 C ATOM 6 CG MET A 1 7.938 15.661 -2.852 1.00 0.00 C ATOM 7 SD MET A 1 9.457 16.585 -3.154 1.00 0.00 S ATOM 8 CE MET A 1 8.865 18.269 -3.005 1.00 0.00 C ATOM 0 H1 MET A 1 8.435 14.934 -6.060 1.00 0.00 H new ATOM 0 H2 MET A 1 6.854 15.092 -6.659 1.00 0.00 H new ATOM 0 H3 MET A 1 7.420 16.158 -5.464 1.00 0.00 H new ATOM 0 HA MET A 1 6.942 13.239 -5.151 1.00 0.00 H new ATOM 0 HB2 MET A 1 7.633 13.544 -2.845 1.00 0.00 H new ATOM 0 HB3 MET A 1 8.924 14.081 -3.902 1.00 0.00 H new ATOM 0 HG2 MET A 1 7.085 16.255 -3.182 1.00 0.00 H new ATOM 0 HG3 MET A 1 7.821 15.503 -1.780 1.00 0.00 H new ATOM 0 HE1 MET A 1 9.692 18.961 -3.166 1.00 0.00 H new ATOM 0 HE2 MET A 1 8.090 18.449 -3.750 1.00 0.00 H new ATOM 0 HE3 MET A 1 8.453 18.423 -2.008 1.00 0.00 H new ATOM 17 N PHE A 2 4.593 13.914 -4.984 1.00 0.00 N ATOM 18 CA PHE A 2 3.171 14.101 -4.706 1.00 0.00 C ATOM 19 C PHE A 2 2.693 12.988 -3.781 1.00 0.00 C ATOM 20 O PHE A 2 3.433 12.034 -3.535 1.00 0.00 O ATOM 21 CB PHE A 2 2.359 14.107 -6.012 1.00 0.00 C ATOM 22 CG PHE A 2 3.162 14.457 -7.234 1.00 0.00 C ATOM 23 CD1 PHE A 2 3.664 15.738 -7.404 1.00 0.00 C ATOM 24 CD2 PHE A 2 3.404 13.510 -8.216 1.00 0.00 C ATOM 25 CE1 PHE A 2 4.396 16.066 -8.530 1.00 0.00 C ATOM 26 CE2 PHE A 2 4.133 13.833 -9.343 1.00 0.00 C ATOM 27 CZ PHE A 2 4.630 15.113 -9.501 1.00 0.00 C ATOM 0 H PHE A 2 4.788 13.223 -5.708 1.00 0.00 H new ATOM 0 HA PHE A 2 3.022 15.064 -4.218 1.00 0.00 H new ATOM 0 HB2 PHE A 2 1.912 13.123 -6.154 1.00 0.00 H new ATOM 0 HB3 PHE A 2 1.539 14.818 -5.914 1.00 0.00 H new ATOM 0 HD1 PHE A 2 3.481 16.488 -6.649 1.00 0.00 H new ATOM 0 HD2 PHE A 2 3.018 12.508 -8.099 1.00 0.00 H new ATOM 0 HE1 PHE A 2 4.784 17.067 -8.650 1.00 0.00 H new ATOM 0 HE2 PHE A 2 4.315 13.086 -10.101 1.00 0.00 H new ATOM 0 HZ PHE A 2 5.200 15.367 -10.382 1.00 0.00 H new ATOM 37 N ARG A 3 1.472 13.090 -3.256 1.00 0.00 N ATOM 38 CA ARG A 3 0.979 12.048 -2.359 1.00 0.00 C ATOM 39 C ARG A 3 -0.538 11.856 -2.452 1.00 0.00 C ATOM 40 O ARG A 3 -1.310 12.795 -2.261 1.00 0.00 O ATOM 41 CB ARG A 3 1.390 12.332 -0.905 1.00 0.00 C ATOM 42 CG ARG A 3 2.171 11.191 -0.278 1.00 0.00 C ATOM 43 CD ARG A 3 3.654 11.514 -0.155 1.00 0.00 C ATOM 44 NE ARG A 3 4.138 11.342 1.212 1.00 0.00 N ATOM 45 CZ ARG A 3 5.271 11.871 1.669 1.00 0.00 C ATOM 46 NH1 ARG A 3 6.038 12.606 0.873 1.00 0.00 N ATOM 47 NH2 ARG A 3 5.638 11.666 2.927 1.00 0.00 N ATOM 0 H ARG A 3 0.824 13.859 -3.429 1.00 0.00 H new ATOM 0 HA ARG A 3 1.443 11.117 -2.685 1.00 0.00 H new ATOM 0 HB2 ARG A 3 1.994 13.239 -0.874 1.00 0.00 H new ATOM 0 HB3 ARG A 3 0.496 12.523 -0.311 1.00 0.00 H new ATOM 0 HG2 ARG A 3 1.764 10.973 0.710 1.00 0.00 H new ATOM 0 HG3 ARG A 3 2.045 10.291 -0.880 1.00 0.00 H new ATOM 0 HD2 ARG A 3 4.223 10.869 -0.825 1.00 0.00 H new ATOM 0 HD3 ARG A 3 3.830 12.541 -0.476 1.00 0.00 H new ATOM 0 HE ARG A 3 3.575 10.784 1.854 1.00 0.00 H new ATOM 0 HH11 ARG A 3 5.760 12.768 -0.095 1.00 0.00 H new ATOM 0 HH12 ARG A 3 6.905 13.008 1.229 1.00 0.00 H new ATOM 0 HH21 ARG A 3 5.052 11.103 3.544 1.00 0.00 H new ATOM 0 HH22 ARG A 3 6.506 12.071 3.278 1.00 0.00 H new ATOM 61 N SER A 4 -0.942 10.612 -2.718 1.00 0.00 N ATOM 62 CA SER A 4 -2.348 10.235 -2.815 1.00 0.00 C ATOM 63 C SER A 4 -2.679 9.257 -1.696 1.00 0.00 C ATOM 64 O SER A 4 -1.772 8.698 -1.077 1.00 0.00 O ATOM 65 CB SER A 4 -2.635 9.581 -4.175 1.00 0.00 C ATOM 66 OG SER A 4 -3.650 8.597 -4.070 1.00 0.00 O ATOM 0 H SER A 4 -0.298 9.837 -2.872 1.00 0.00 H new ATOM 0 HA SER A 4 -2.965 11.128 -2.722 1.00 0.00 H new ATOM 0 HB2 SER A 4 -2.939 10.345 -4.891 1.00 0.00 H new ATOM 0 HB3 SER A 4 -1.723 9.126 -4.562 1.00 0.00 H new ATOM 0 HG SER A 4 -4.386 8.820 -4.678 1.00 0.00 H new ATOM 72 N THR A 5 -3.962 9.040 -1.427 1.00 0.00 N ATOM 73 CA THR A 5 -4.336 8.113 -0.368 1.00 0.00 C ATOM 74 C THR A 5 -5.623 7.353 -0.677 1.00 0.00 C ATOM 75 O THR A 5 -6.664 7.952 -0.947 1.00 0.00 O ATOM 76 CB THR A 5 -4.475 8.843 0.976 1.00 0.00 C ATOM 77 OG1 THR A 5 -5.640 9.648 0.987 1.00 0.00 O ATOM 78 CG2 THR A 5 -3.300 9.739 1.329 1.00 0.00 C ATOM 0 H THR A 5 -4.742 9.481 -1.914 1.00 0.00 H new ATOM 0 HA THR A 5 -3.530 7.382 -0.303 1.00 0.00 H new ATOM 0 HB THR A 5 -4.523 8.046 1.718 1.00 0.00 H new ATOM 0 HG1 THR A 5 -6.207 9.413 0.223 1.00 0.00 H new ATOM 0 HG21 THR A 5 -3.482 10.215 2.293 1.00 0.00 H new ATOM 0 HG22 THR A 5 -2.390 9.141 1.385 1.00 0.00 H new ATOM 0 HG23 THR A 5 -3.183 10.505 0.562 1.00 0.00 H new ATOM 86 N SER A 6 -5.541 6.025 -0.608 1.00 0.00 N ATOM 87 CA SER A 6 -6.701 5.168 -0.852 1.00 0.00 C ATOM 88 C SER A 6 -7.188 4.537 0.456 1.00 0.00 C ATOM 89 O SER A 6 -6.399 3.969 1.211 1.00 0.00 O ATOM 90 CB SER A 6 -6.354 4.070 -1.862 1.00 0.00 C ATOM 91 OG SER A 6 -7.510 3.346 -2.246 1.00 0.00 O ATOM 0 H SER A 6 -4.684 5.519 -0.385 1.00 0.00 H new ATOM 0 HA SER A 6 -7.499 5.786 -1.263 1.00 0.00 H new ATOM 0 HB2 SER A 6 -5.891 4.515 -2.743 1.00 0.00 H new ATOM 0 HB3 SER A 6 -5.623 3.389 -1.427 1.00 0.00 H new ATOM 0 HG SER A 6 -7.358 2.926 -3.119 1.00 0.00 H new ATOM 97 N HIS A 7 -8.491 4.645 0.722 1.00 0.00 N ATOM 98 CA HIS A 7 -9.075 4.087 1.947 1.00 0.00 C ATOM 99 C HIS A 7 -10.053 2.954 1.625 1.00 0.00 C ATOM 100 O HIS A 7 -10.936 3.107 0.781 1.00 0.00 O ATOM 101 CB HIS A 7 -9.791 5.184 2.739 1.00 0.00 C ATOM 102 CG HIS A 7 -9.932 4.884 4.200 1.00 0.00 C ATOM 103 ND1 HIS A 7 -10.068 3.707 4.858 1.00 0.00 N flip ATOM 104 CD2 HIS A 7 -9.949 5.865 5.170 1.00 0.00 C flip ATOM 105 CE1 HIS A 7 -10.161 3.998 6.196 1.00 0.00 C flip ATOM 106 NE2 HIS A 7 -10.086 5.305 6.359 1.00 0.00 N flip ATOM 0 H HIS A 7 -9.161 5.111 0.110 1.00 0.00 H new ATOM 0 HA HIS A 7 -8.264 3.679 2.551 1.00 0.00 H new ATOM 0 HB2 HIS A 7 -9.244 6.119 2.621 1.00 0.00 H new ATOM 0 HB3 HIS A 7 -10.782 5.338 2.312 1.00 0.00 H new ATOM 0 HD2 HIS A 7 -9.864 6.926 4.986 1.00 0.00 H new ATOM 0 HE1 HIS A 7 -10.277 3.273 6.988 1.00 0.00 H new ATOM 0 HE2 HIS A 7 -10.127 5.799 7.251 1.00 0.00 H new ATOM 115 N VAL A 8 -9.890 1.813 2.301 1.00 0.00 N ATOM 116 CA VAL A 8 -10.758 0.657 2.080 1.00 0.00 C ATOM 117 C VAL A 8 -11.090 -0.038 3.396 1.00 0.00 C ATOM 118 O VAL A 8 -10.307 0.020 4.344 1.00 0.00 O ATOM 119 CB VAL A 8 -10.102 -0.368 1.130 1.00 0.00 C ATOM 120 CG1 VAL A 8 -11.150 -1.275 0.502 1.00 0.00 C ATOM 121 CG2 VAL A 8 -9.283 0.333 0.056 1.00 0.00 C ATOM 0 H VAL A 8 -9.166 1.667 3.004 1.00 0.00 H new ATOM 0 HA VAL A 8 -11.674 1.033 1.624 1.00 0.00 H new ATOM 0 HB VAL A 8 -9.427 -0.988 1.720 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -10.663 -1.988 -0.163 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -11.681 -1.815 1.286 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -11.858 -0.673 -0.068 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -8.831 -0.411 -0.600 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -9.932 0.986 -0.528 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -8.499 0.926 0.526 1.00 0.00 H new ATOM 131 N ARG A 9 -12.235 -0.719 3.453 1.00 0.00 N ATOM 132 CA ARG A 9 -12.607 -1.435 4.673 1.00 0.00 C ATOM 133 C ARG A 9 -12.285 -2.925 4.533 1.00 0.00 C ATOM 134 O ARG A 9 -12.973 -3.655 3.820 1.00 0.00 O ATOM 135 CB ARG A 9 -14.092 -1.245 5.003 1.00 0.00 C ATOM 136 CG ARG A 9 -14.356 -0.049 5.902 1.00 0.00 C ATOM 137 CD ARG A 9 -13.999 1.258 5.211 1.00 0.00 C ATOM 138 NE ARG A 9 -14.818 1.492 4.024 1.00 0.00 N ATOM 139 CZ ARG A 9 -14.962 2.683 3.447 1.00 0.00 C ATOM 140 NH1 ARG A 9 -14.345 3.748 3.943 1.00 0.00 N ATOM 141 NH2 ARG A 9 -15.727 2.808 2.370 1.00 0.00 N ATOM 0 H ARG A 9 -12.907 -0.790 2.689 1.00 0.00 H new ATOM 0 HA ARG A 9 -12.024 -1.019 5.495 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -14.651 -1.125 4.075 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -14.468 -2.146 5.488 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -15.407 -0.034 6.190 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -13.776 -0.147 6.819 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -14.129 2.085 5.910 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -12.947 1.243 4.928 1.00 0.00 H new ATOM 0 HE ARG A 9 -15.308 0.697 3.614 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -13.756 3.657 4.771 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -14.459 4.658 3.496 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -16.204 1.992 1.986 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -15.838 3.720 1.927 1.00 0.00 H new ATOM 155 N THR A 10 -11.227 -3.360 5.216 1.00 0.00 N ATOM 156 CA THR A 10 -10.793 -4.757 5.173 1.00 0.00 C ATOM 157 C THR A 10 -10.581 -5.322 6.581 1.00 0.00 C ATOM 158 O THR A 10 -10.333 -4.573 7.519 1.00 0.00 O ATOM 159 CB THR A 10 -9.517 -4.880 4.337 1.00 0.00 C ATOM 160 OG1 THR A 10 -9.697 -5.816 3.290 1.00 0.00 O ATOM 161 CG2 THR A 10 -8.305 -5.310 5.131 1.00 0.00 C ATOM 0 H THR A 10 -10.651 -2.762 5.809 1.00 0.00 H new ATOM 0 HA THR A 10 -11.581 -5.346 4.704 1.00 0.00 H new ATOM 0 HB THR A 10 -9.333 -3.877 3.952 1.00 0.00 H new ATOM 0 HG1 THR A 10 -9.867 -5.339 2.451 1.00 0.00 H new ATOM 0 HG21 THR A 10 -7.441 -5.375 4.470 1.00 0.00 H new ATOM 0 HG22 THR A 10 -8.107 -4.581 5.916 1.00 0.00 H new ATOM 0 HG23 THR A 10 -8.492 -6.285 5.580 1.00 0.00 H new ATOM 169 N GLU A 11 -10.654 -6.642 6.723 1.00 0.00 N ATOM 170 CA GLU A 11 -10.445 -7.280 8.024 1.00 0.00 C ATOM 171 C GLU A 11 -9.072 -7.965 8.104 1.00 0.00 C ATOM 172 O GLU A 11 -8.581 -8.503 7.112 1.00 0.00 O ATOM 173 CB GLU A 11 -11.552 -8.296 8.292 1.00 0.00 C ATOM 174 CG GLU A 11 -12.385 -7.963 9.515 1.00 0.00 C ATOM 175 CD GLU A 11 -13.875 -7.991 9.236 1.00 0.00 C ATOM 176 OE1 GLU A 11 -14.401 -6.984 8.718 1.00 0.00 O ATOM 177 OE2 GLU A 11 -14.515 -9.021 9.535 1.00 0.00 O ATOM 0 H GLU A 11 -10.855 -7.289 5.961 1.00 0.00 H new ATOM 0 HA GLU A 11 -10.474 -6.501 8.786 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -12.204 -8.352 7.420 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -11.107 -9.283 8.421 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -12.155 -8.673 10.310 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -12.107 -6.974 9.880 1.00 0.00 H new ATOM 184 N SER A 12 -8.459 -7.943 9.296 1.00 0.00 N ATOM 185 CA SER A 12 -7.152 -8.565 9.507 1.00 0.00 C ATOM 186 C SER A 12 -6.095 -7.958 8.591 1.00 0.00 C ATOM 187 O SER A 12 -5.104 -8.601 8.246 1.00 0.00 O ATOM 188 CB SER A 12 -7.244 -10.074 9.292 1.00 0.00 C ATOM 189 OG SER A 12 -5.957 -10.666 9.251 1.00 0.00 O ATOM 0 H SER A 12 -8.851 -7.500 10.127 1.00 0.00 H new ATOM 0 HA SER A 12 -6.849 -8.373 10.536 1.00 0.00 H new ATOM 0 HB2 SER A 12 -7.828 -10.523 10.095 1.00 0.00 H new ATOM 0 HB3 SER A 12 -7.771 -10.280 8.361 1.00 0.00 H new ATOM 0 HG SER A 12 -5.455 -10.304 8.491 1.00 0.00 H new ATOM 195 N ALA A 13 -6.321 -6.713 8.205 1.00 0.00 N ATOM 196 CA ALA A 13 -5.400 -5.986 7.324 1.00 0.00 C ATOM 197 C ALA A 13 -3.954 -6.016 7.814 1.00 0.00 C ATOM 198 O ALA A 13 -3.037 -6.336 7.056 1.00 0.00 O ATOM 199 CB ALA A 13 -5.843 -4.544 7.191 1.00 0.00 C ATOM 0 H ALA A 13 -7.140 -6.174 8.487 1.00 0.00 H new ATOM 0 HA ALA A 13 -5.431 -6.492 6.359 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -5.154 -4.011 6.536 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -6.847 -4.509 6.768 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -5.847 -4.072 8.174 1.00 0.00 H new ATOM 205 N ALA A 14 -3.753 -5.632 9.067 1.00 0.00 N ATOM 206 CA ALA A 14 -2.410 -5.553 9.659 1.00 0.00 C ATOM 207 C ALA A 14 -1.500 -6.730 9.290 1.00 0.00 C ATOM 208 O ALA A 14 -0.277 -6.591 9.303 1.00 0.00 O ATOM 209 CB ALA A 14 -2.525 -5.413 11.165 1.00 0.00 C ATOM 0 H ALA A 14 -4.505 -5.367 9.703 1.00 0.00 H new ATOM 0 HA ALA A 14 -1.931 -4.670 9.236 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -1.528 -5.355 11.602 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -3.080 -4.506 11.405 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -3.049 -6.278 11.572 1.00 0.00 H new ATOM 215 N ARG A 15 -2.076 -7.882 8.967 1.00 0.00 N ATOM 216 CA ARG A 15 -1.272 -9.052 8.604 1.00 0.00 C ATOM 217 C ARG A 15 -0.813 -8.982 7.159 1.00 0.00 C ATOM 218 O ARG A 15 0.317 -9.351 6.841 1.00 0.00 O ATOM 219 CB ARG A 15 -2.069 -10.339 8.830 1.00 0.00 C ATOM 220 CG ARG A 15 -1.231 -11.611 8.990 1.00 0.00 C ATOM 221 CD ARG A 15 0.197 -11.479 8.460 1.00 0.00 C ATOM 222 NE ARG A 15 1.069 -12.518 9.004 1.00 0.00 N ATOM 223 CZ ARG A 15 2.388 -12.385 9.148 1.00 0.00 C ATOM 224 NH1 ARG A 15 2.998 -11.273 8.760 1.00 0.00 N ATOM 225 NH2 ARG A 15 3.098 -13.373 9.675 1.00 0.00 N ATOM 0 H ARG A 15 -3.084 -8.035 8.948 1.00 0.00 H new ATOM 0 HA ARG A 15 -0.390 -9.056 9.244 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -2.683 -10.214 9.722 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -2.751 -10.476 7.991 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -1.194 -11.880 10.046 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -1.728 -12.430 8.470 1.00 0.00 H new ATOM 0 HD2 ARG A 15 0.189 -11.542 7.372 1.00 0.00 H new ATOM 0 HD3 ARG A 15 0.593 -10.497 8.720 1.00 0.00 H new ATOM 0 HE ARG A 15 0.643 -13.399 9.291 1.00 0.00 H new ATOM 0 HH11 ARG A 15 2.458 -10.512 8.348 1.00 0.00 H new ATOM 0 HH12 ARG A 15 4.007 -11.179 8.873 1.00 0.00 H new ATOM 0 HH21 ARG A 15 2.635 -14.233 9.969 1.00 0.00 H new ATOM 0 HH22 ARG A 15 4.107 -13.273 9.786 1.00 0.00 H new ATOM 239 N TYR A 16 -1.679 -8.502 6.281 1.00 0.00 N ATOM 240 CA TYR A 16 -1.320 -8.395 4.876 1.00 0.00 C ATOM 241 C TYR A 16 -0.217 -7.357 4.697 1.00 0.00 C ATOM 242 O TYR A 16 0.548 -7.433 3.743 1.00 0.00 O ATOM 243 CB TYR A 16 -2.539 -8.062 4.004 1.00 0.00 C ATOM 244 CG TYR A 16 -3.689 -9.067 4.077 1.00 0.00 C ATOM 245 CD1 TYR A 16 -3.513 -10.389 4.513 1.00 0.00 C ATOM 246 CD2 TYR A 16 -4.972 -8.678 3.709 1.00 0.00 C ATOM 247 CE1 TYR A 16 -4.578 -11.268 4.573 1.00 0.00 C ATOM 248 CE2 TYR A 16 -6.038 -9.556 3.771 1.00 0.00 C ATOM 249 CZ TYR A 16 -5.835 -10.846 4.204 1.00 0.00 C ATOM 250 OH TYR A 16 -6.895 -11.721 4.267 1.00 0.00 O ATOM 0 H TYR A 16 -2.621 -8.185 6.511 1.00 0.00 H new ATOM 0 HA TYR A 16 -0.946 -9.364 4.546 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -2.916 -7.082 4.295 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -2.213 -7.983 2.967 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -2.529 -10.725 4.806 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -5.140 -7.667 3.367 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -4.424 -12.283 4.908 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -7.026 -9.231 3.481 1.00 0.00 H new ATOM 0 HH TYR A 16 -7.712 -11.267 3.974 1.00 0.00 H new ATOM 260 N VAL A 17 -0.108 -6.414 5.639 1.00 0.00 N ATOM 261 CA VAL A 17 0.949 -5.403 5.575 1.00 0.00 C ATOM 262 C VAL A 17 2.261 -6.008 6.060 1.00 0.00 C ATOM 263 O VAL A 17 3.307 -5.832 5.435 1.00 0.00 O ATOM 264 CB VAL A 17 0.614 -4.131 6.405 1.00 0.00 C ATOM 265 CG1 VAL A 17 1.870 -3.377 6.840 1.00 0.00 C ATOM 266 CG2 VAL A 17 -0.267 -3.201 5.604 1.00 0.00 C ATOM 0 H VAL A 17 -0.730 -6.331 6.443 1.00 0.00 H new ATOM 0 HA VAL A 17 1.038 -5.090 4.535 1.00 0.00 H new ATOM 0 HB VAL A 17 0.092 -4.466 7.301 1.00 0.00 H new ATOM 0 HG11 VAL A 17 1.585 -2.497 7.416 1.00 0.00 H new ATOM 0 HG12 VAL A 17 2.491 -4.028 7.455 1.00 0.00 H new ATOM 0 HG13 VAL A 17 2.432 -3.067 5.959 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -0.494 -2.315 6.196 1.00 0.00 H new ATOM 0 HG22 VAL A 17 0.251 -2.905 4.692 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -1.195 -3.712 5.345 1.00 0.00 H new ATOM 276 N ASN A 18 2.199 -6.722 7.179 1.00 0.00 N ATOM 277 CA ASN A 18 3.383 -7.351 7.743 1.00 0.00 C ATOM 278 C ASN A 18 3.882 -8.494 6.861 1.00 0.00 C ATOM 279 O ASN A 18 5.071 -8.810 6.863 1.00 0.00 O ATOM 280 CB ASN A 18 3.088 -7.867 9.152 1.00 0.00 C ATOM 281 CG ASN A 18 2.476 -6.804 10.043 1.00 0.00 C ATOM 282 OD1 ASN A 18 2.070 -5.741 9.572 1.00 0.00 O ATOM 283 ND2 ASN A 18 2.405 -7.086 11.338 1.00 0.00 N ATOM 0 H ASN A 18 1.343 -6.878 7.711 1.00 0.00 H new ATOM 0 HA ASN A 18 4.168 -6.597 7.794 1.00 0.00 H new ATOM 0 HB2 ASN A 18 2.410 -8.718 9.089 1.00 0.00 H new ATOM 0 HB3 ASN A 18 4.012 -8.228 9.604 1.00 0.00 H new ATOM 0 HD21 ASN A 18 2.002 -6.409 11.986 1.00 0.00 H new ATOM 0 HD22 ASN A 18 2.754 -7.979 11.685 1.00 0.00 H new ATOM 290 N ARG A 19 2.974 -9.125 6.119 1.00 0.00 N ATOM 291 CA ARG A 19 3.341 -10.238 5.254 1.00 0.00 C ATOM 292 C ARG A 19 4.014 -9.771 3.962 1.00 0.00 C ATOM 293 O ARG A 19 4.671 -10.558 3.283 1.00 0.00 O ATOM 294 CB ARG A 19 2.103 -11.067 4.921 1.00 0.00 C ATOM 295 CG ARG A 19 2.380 -12.556 4.840 1.00 0.00 C ATOM 296 CD ARG A 19 1.583 -13.335 5.873 1.00 0.00 C ATOM 297 NE ARG A 19 0.143 -13.181 5.686 1.00 0.00 N ATOM 298 CZ ARG A 19 -0.766 -13.978 6.243 1.00 0.00 C ATOM 299 NH1 ARG A 19 -0.388 -14.985 7.020 1.00 0.00 N ATOM 300 NH2 ARG A 19 -2.057 -13.768 6.022 1.00 0.00 N ATOM 0 H ARG A 19 1.983 -8.884 6.101 1.00 0.00 H new ATOM 0 HA ARG A 19 4.063 -10.848 5.797 1.00 0.00 H new ATOM 0 HB2 ARG A 19 1.340 -10.887 5.678 1.00 0.00 H new ATOM 0 HB3 ARG A 19 1.693 -10.729 3.969 1.00 0.00 H new ATOM 0 HG2 ARG A 19 2.133 -12.918 3.842 1.00 0.00 H new ATOM 0 HG3 ARG A 19 3.444 -12.736 4.990 1.00 0.00 H new ATOM 0 HD2 ARG A 19 1.845 -14.391 5.811 1.00 0.00 H new ATOM 0 HD3 ARG A 19 1.857 -12.996 6.872 1.00 0.00 H new ATOM 0 HE ARG A 19 -0.185 -12.418 5.094 1.00 0.00 H new ATOM 0 HH11 ARG A 19 0.603 -15.151 7.193 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -1.089 -15.593 7.444 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -2.353 -12.996 5.425 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -2.753 -14.379 6.449 1.00 0.00 H new ATOM 314 N LEU A 20 3.837 -8.501 3.614 1.00 0.00 N ATOM 315 CA LEU A 20 4.421 -7.958 2.388 1.00 0.00 C ATOM 316 C LEU A 20 5.934 -7.820 2.486 1.00 0.00 C ATOM 317 O LEU A 20 6.657 -8.218 1.573 1.00 0.00 O ATOM 318 CB LEU A 20 3.806 -6.600 2.058 1.00 0.00 C ATOM 319 CG LEU A 20 2.295 -6.603 1.821 1.00 0.00 C ATOM 320 CD1 LEU A 20 1.872 -5.298 1.166 1.00 0.00 C ATOM 321 CD2 LEU A 20 1.857 -7.792 0.962 1.00 0.00 C ATOM 0 H LEU A 20 3.297 -7.829 4.159 1.00 0.00 H new ATOM 0 HA LEU A 20 4.198 -8.666 1.590 1.00 0.00 H new ATOM 0 HB2 LEU A 20 4.027 -5.912 2.874 1.00 0.00 H new ATOM 0 HB3 LEU A 20 4.295 -6.206 1.167 1.00 0.00 H new ATOM 0 HG LEU A 20 1.805 -6.700 2.790 1.00 0.00 H new ATOM 0 HD11 LEU A 20 0.795 -5.307 1.000 1.00 0.00 H new ATOM 0 HD12 LEU A 20 2.132 -4.463 1.817 1.00 0.00 H new ATOM 0 HD13 LEU A 20 2.385 -5.187 0.211 1.00 0.00 H new ATOM 0 HD21 LEU A 20 0.777 -7.758 0.817 1.00 0.00 H new ATOM 0 HD22 LEU A 20 2.355 -7.744 -0.006 1.00 0.00 H new ATOM 0 HD23 LEU A 20 2.126 -8.722 1.463 1.00 0.00 H new ATOM 333 N CYS A 21 6.415 -7.257 3.587 1.00 0.00 N ATOM 334 CA CYS A 21 7.854 -7.077 3.772 1.00 0.00 C ATOM 335 C CYS A 21 8.574 -8.406 3.602 1.00 0.00 C ATOM 336 O CYS A 21 9.662 -8.476 3.035 1.00 0.00 O ATOM 337 CB CYS A 21 8.157 -6.496 5.153 1.00 0.00 C ATOM 338 SG CYS A 21 7.667 -7.571 6.520 1.00 0.00 S ATOM 0 H CYS A 21 5.840 -6.920 4.359 1.00 0.00 H new ATOM 0 HA CYS A 21 8.209 -6.376 3.016 1.00 0.00 H new ATOM 0 HB2 CYS A 21 9.226 -6.295 5.226 1.00 0.00 H new ATOM 0 HB3 CYS A 21 7.645 -5.539 5.254 1.00 0.00 H new ATOM 0 HG CYS A 21 6.415 -7.895 6.390 1.00 0.00 H new ATOM 344 N LYS A 22 7.941 -9.459 4.089 1.00 0.00 N ATOM 345 CA LYS A 22 8.495 -10.799 3.989 1.00 0.00 C ATOM 346 C LYS A 22 8.245 -11.380 2.597 1.00 0.00 C ATOM 347 O LYS A 22 8.912 -12.326 2.177 1.00 0.00 O ATOM 348 CB LYS A 22 7.879 -11.704 5.057 1.00 0.00 C ATOM 349 CG LYS A 22 8.058 -11.186 6.479 1.00 0.00 C ATOM 350 CD LYS A 22 6.759 -11.266 7.266 1.00 0.00 C ATOM 351 CE LYS A 22 6.400 -12.703 7.600 1.00 0.00 C ATOM 352 NZ LYS A 22 7.229 -13.240 8.715 1.00 0.00 N ATOM 0 H LYS A 22 7.038 -9.412 4.560 1.00 0.00 H new ATOM 0 HA LYS A 22 9.571 -10.742 4.152 1.00 0.00 H new ATOM 0 HB2 LYS A 22 6.814 -11.818 4.853 1.00 0.00 H new ATOM 0 HB3 LYS A 22 8.326 -12.695 4.982 1.00 0.00 H new ATOM 0 HG2 LYS A 22 8.828 -11.767 6.985 1.00 0.00 H new ATOM 0 HG3 LYS A 22 8.405 -10.153 6.451 1.00 0.00 H new ATOM 0 HD2 LYS A 22 6.854 -10.690 8.186 1.00 0.00 H new ATOM 0 HD3 LYS A 22 5.953 -10.813 6.688 1.00 0.00 H new ATOM 0 HE2 LYS A 22 5.346 -12.760 7.872 1.00 0.00 H new ATOM 0 HE3 LYS A 22 6.535 -13.325 6.715 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 6.896 -14.192 8.968 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 8.224 -13.289 8.415 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 7.147 -12.614 9.541 1.00 0.00 H new ATOM 366 N HIS A 23 7.264 -10.815 1.893 1.00 0.00 N ATOM 367 CA HIS A 23 6.901 -11.277 0.558 1.00 0.00 C ATOM 368 C HIS A 23 7.774 -10.656 -0.531 1.00 0.00 C ATOM 369 O HIS A 23 8.465 -11.373 -1.256 1.00 0.00 O ATOM 370 CB HIS A 23 5.430 -10.967 0.272 1.00 0.00 C ATOM 371 CG HIS A 23 4.839 -11.819 -0.807 1.00 0.00 C ATOM 372 ND1 HIS A 23 5.256 -11.767 -2.121 1.00 0.00 N ATOM 373 CD2 HIS A 23 3.854 -12.748 -0.763 1.00 0.00 C ATOM 374 CE1 HIS A 23 4.554 -12.628 -2.837 1.00 0.00 C ATOM 375 NE2 HIS A 23 3.698 -13.236 -2.038 1.00 0.00 N ATOM 0 H HIS A 23 6.705 -10.032 2.230 1.00 0.00 H new ATOM 0 HA HIS A 23 7.065 -12.354 0.540 1.00 0.00 H new ATOM 0 HB2 HIS A 23 4.854 -11.102 1.187 1.00 0.00 H new ATOM 0 HB3 HIS A 23 5.336 -9.919 -0.012 1.00 0.00 H new ATOM 0 HD2 HIS A 23 3.296 -13.049 0.111 1.00 0.00 H new ATOM 0 HE1 HIS A 23 4.663 -12.804 -3.897 1.00 0.00 H new ATOM 0 HE2 HIS A 23 3.029 -13.952 -2.321 1.00 0.00 H new ATOM 384 N TRP A 24 7.730 -9.330 -0.666 1.00 0.00 N ATOM 385 CA TRP A 24 8.516 -8.660 -1.702 1.00 0.00 C ATOM 386 C TRP A 24 9.904 -8.257 -1.199 1.00 0.00 C ATOM 387 O TRP A 24 10.744 -7.823 -1.988 1.00 0.00 O ATOM 388 CB TRP A 24 7.773 -7.433 -2.241 1.00 0.00 C ATOM 389 CG TRP A 24 6.664 -7.790 -3.184 1.00 0.00 C ATOM 390 CD1 TRP A 24 6.792 -8.368 -4.414 1.00 0.00 C ATOM 391 CD2 TRP A 24 5.260 -7.597 -2.975 1.00 0.00 C ATOM 392 NE1 TRP A 24 5.554 -8.546 -4.983 1.00 0.00 N ATOM 393 CE2 TRP A 24 4.598 -8.081 -4.119 1.00 0.00 C ATOM 394 CE3 TRP A 24 4.499 -7.061 -1.932 1.00 0.00 C ATOM 395 CZ2 TRP A 24 3.212 -8.046 -4.249 1.00 0.00 C ATOM 396 CZ3 TRP A 24 3.123 -7.027 -2.062 1.00 0.00 C ATOM 397 CH2 TRP A 24 2.493 -7.517 -3.212 1.00 0.00 C ATOM 0 H TRP A 24 7.170 -8.709 -0.083 1.00 0.00 H new ATOM 0 HA TRP A 24 8.652 -9.377 -2.512 1.00 0.00 H new ATOM 0 HB2 TRP A 24 7.364 -6.866 -1.405 1.00 0.00 H new ATOM 0 HB3 TRP A 24 8.482 -6.781 -2.752 1.00 0.00 H new ATOM 0 HD1 TRP A 24 7.730 -8.645 -4.873 1.00 0.00 H new ATOM 0 HE1 TRP A 24 5.376 -8.957 -5.899 1.00 0.00 H new ATOM 0 HE3 TRP A 24 4.977 -6.681 -1.041 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 2.723 -8.422 -5.135 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 2.524 -6.616 -1.263 1.00 0.00 H new ATOM 0 HH2 TRP A 24 1.416 -7.477 -3.282 1.00 0.00 H new ATOM 408 N GLY A 25 10.156 -8.400 0.107 1.00 0.00 N ATOM 409 CA GLY A 25 11.457 -8.042 0.641 1.00 0.00 C ATOM 410 C GLY A 25 12.548 -8.997 0.200 1.00 0.00 C ATOM 411 O GLY A 25 13.147 -9.689 1.025 1.00 0.00 O ATOM 0 H GLY A 25 9.488 -8.753 0.793 1.00 0.00 H new ATOM 0 HA2 GLY A 25 11.712 -7.032 0.321 1.00 0.00 H new ATOM 0 HA3 GLY A 25 11.408 -8.029 1.730 1.00 0.00 H new ATOM 415 N HIS A 26 12.810 -9.033 -1.100 1.00 0.00 N ATOM 416 CA HIS A 26 13.837 -9.907 -1.649 1.00 0.00 C ATOM 417 C HIS A 26 15.020 -9.093 -2.162 1.00 0.00 C ATOM 418 O HIS A 26 16.157 -9.562 -2.157 1.00 0.00 O ATOM 419 CB HIS A 26 13.259 -10.764 -2.778 1.00 0.00 C ATOM 420 CG HIS A 26 13.628 -12.212 -2.678 1.00 0.00 C ATOM 421 ND1 HIS A 26 13.742 -13.037 -3.777 1.00 0.00 N ATOM 422 CD2 HIS A 26 13.910 -12.982 -1.601 1.00 0.00 C ATOM 423 CE1 HIS A 26 14.076 -14.252 -3.380 1.00 0.00 C ATOM 424 NE2 HIS A 26 14.186 -14.245 -2.065 1.00 0.00 N ATOM 0 H HIS A 26 12.324 -8.466 -1.795 1.00 0.00 H new ATOM 0 HA HIS A 26 14.188 -10.563 -0.853 1.00 0.00 H new ATOM 0 HB2 HIS A 26 12.173 -10.673 -2.773 1.00 0.00 H new ATOM 0 HB3 HIS A 26 13.607 -10.374 -3.734 1.00 0.00 H new ATOM 0 HD2 HIS A 26 13.917 -12.663 -0.569 1.00 0.00 H new ATOM 0 HE1 HIS A 26 14.232 -15.106 -4.023 1.00 0.00 H new ATOM 0 HE2 HIS A 26 14.436 -15.047 -1.487 1.00 0.00 H new ATOM 433 N LYS A 27 14.743 -7.871 -2.609 1.00 0.00 N ATOM 434 CA LYS A 27 15.787 -6.997 -3.128 1.00 0.00 C ATOM 435 C LYS A 27 15.401 -5.532 -2.919 1.00 0.00 C ATOM 436 O LYS A 27 15.871 -4.645 -3.623 1.00 0.00 O ATOM 437 CB LYS A 27 16.011 -7.305 -4.617 1.00 0.00 C ATOM 438 CG LYS A 27 16.921 -6.325 -5.346 1.00 0.00 C ATOM 439 CD LYS A 27 16.113 -5.391 -6.238 1.00 0.00 C ATOM 440 CE LYS A 27 16.564 -3.943 -6.116 1.00 0.00 C ATOM 441 NZ LYS A 27 17.496 -3.556 -7.211 1.00 0.00 N ATOM 0 H LYS A 27 13.807 -7.466 -2.622 1.00 0.00 H new ATOM 0 HA LYS A 27 16.718 -7.175 -2.590 1.00 0.00 H new ATOM 0 HB2 LYS A 27 16.434 -8.306 -4.706 1.00 0.00 H new ATOM 0 HB3 LYS A 27 15.044 -7.322 -5.119 1.00 0.00 H new ATOM 0 HG2 LYS A 27 17.488 -5.741 -4.621 1.00 0.00 H new ATOM 0 HG3 LYS A 27 17.644 -6.874 -5.949 1.00 0.00 H new ATOM 0 HD2 LYS A 27 16.206 -5.712 -7.275 1.00 0.00 H new ATOM 0 HD3 LYS A 27 15.058 -5.464 -5.975 1.00 0.00 H new ATOM 0 HE2 LYS A 27 15.692 -3.289 -6.133 1.00 0.00 H new ATOM 0 HE3 LYS A 27 17.054 -3.796 -5.154 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 17.779 -2.563 -7.091 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 18.340 -4.163 -7.179 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 17.021 -3.672 -8.129 1.00 0.00 H new ATOM 455 N PHE A 28 14.541 -5.280 -1.934 1.00 0.00 N ATOM 456 CA PHE A 28 14.107 -3.924 -1.643 1.00 0.00 C ATOM 457 C PHE A 28 14.009 -3.688 -0.146 1.00 0.00 C ATOM 458 O PHE A 28 13.820 -4.622 0.633 1.00 0.00 O ATOM 459 CB PHE A 28 12.762 -3.642 -2.312 1.00 0.00 C ATOM 460 CG PHE A 28 12.879 -3.380 -3.786 1.00 0.00 C ATOM 461 CD1 PHE A 28 13.240 -2.127 -4.253 1.00 0.00 C ATOM 462 CD2 PHE A 28 12.631 -4.388 -4.703 1.00 0.00 C ATOM 463 CE1 PHE A 28 13.349 -1.883 -5.609 1.00 0.00 C ATOM 464 CE2 PHE A 28 12.741 -4.151 -6.060 1.00 0.00 C ATOM 465 CZ PHE A 28 13.100 -2.896 -6.513 1.00 0.00 C ATOM 0 H PHE A 28 14.136 -5.995 -1.330 1.00 0.00 H new ATOM 0 HA PHE A 28 14.853 -3.239 -2.045 1.00 0.00 H new ATOM 0 HB2 PHE A 28 12.098 -4.492 -2.152 1.00 0.00 H new ATOM 0 HB3 PHE A 28 12.298 -2.780 -1.832 1.00 0.00 H new ATOM 0 HD1 PHE A 28 13.439 -1.332 -3.550 1.00 0.00 H new ATOM 0 HD2 PHE A 28 12.349 -5.370 -4.354 1.00 0.00 H new ATOM 0 HE1 PHE A 28 13.629 -0.901 -5.961 1.00 0.00 H new ATOM 0 HE2 PHE A 28 12.547 -4.945 -6.765 1.00 0.00 H new ATOM 0 HZ PHE A 28 13.186 -2.708 -7.573 1.00 0.00 H new ATOM 475 N GLU A 29 14.139 -2.429 0.250 1.00 0.00 N ATOM 476 CA GLU A 29 14.065 -2.065 1.658 1.00 0.00 C ATOM 477 C GLU A 29 12.620 -2.087 2.135 1.00 0.00 C ATOM 478 O GLU A 29 11.862 -1.146 1.900 1.00 0.00 O ATOM 479 CB GLU A 29 14.676 -0.683 1.890 1.00 0.00 C ATOM 480 CG GLU A 29 14.283 0.338 0.840 1.00 0.00 C ATOM 481 CD GLU A 29 15.371 0.560 -0.194 1.00 0.00 C ATOM 482 OE1 GLU A 29 16.227 1.443 0.025 1.00 0.00 O ATOM 483 OE2 GLU A 29 15.368 -0.150 -1.222 1.00 0.00 O ATOM 0 H GLU A 29 14.296 -1.644 -0.382 1.00 0.00 H new ATOM 0 HA GLU A 29 14.635 -2.796 2.231 1.00 0.00 H new ATOM 0 HB2 GLU A 29 14.370 -0.319 2.871 1.00 0.00 H new ATOM 0 HB3 GLU A 29 15.762 -0.773 1.908 1.00 0.00 H new ATOM 0 HG2 GLU A 29 13.373 0.007 0.339 1.00 0.00 H new ATOM 0 HG3 GLU A 29 14.052 1.285 1.328 1.00 0.00 H new ATOM 490 N VAL A 30 12.242 -3.175 2.794 1.00 0.00 N ATOM 491 CA VAL A 30 10.882 -3.329 3.294 1.00 0.00 C ATOM 492 C VAL A 30 10.842 -3.302 4.820 1.00 0.00 C ATOM 493 O VAL A 30 11.396 -4.182 5.479 1.00 0.00 O ATOM 494 CB VAL A 30 10.243 -4.649 2.802 1.00 0.00 C ATOM 495 CG1 VAL A 30 9.526 -4.451 1.475 1.00 0.00 C ATOM 496 CG2 VAL A 30 11.287 -5.746 2.679 1.00 0.00 C ATOM 0 H VAL A 30 12.858 -3.963 2.995 1.00 0.00 H new ATOM 0 HA VAL A 30 10.312 -2.486 2.903 1.00 0.00 H new ATOM 0 HB VAL A 30 9.507 -4.955 3.545 1.00 0.00 H new ATOM 0 HG11 VAL A 30 9.087 -5.396 1.154 1.00 0.00 H new ATOM 0 HG12 VAL A 30 8.739 -3.707 1.594 1.00 0.00 H new ATOM 0 HG13 VAL A 30 10.238 -4.108 0.724 1.00 0.00 H new ATOM 0 HG21 VAL A 30 10.812 -6.663 2.331 1.00 0.00 H new ATOM 0 HG22 VAL A 30 12.053 -5.441 1.966 1.00 0.00 H new ATOM 0 HG23 VAL A 30 11.747 -5.922 3.652 1.00 0.00 H new ATOM 506 N GLU A 31 10.172 -2.296 5.377 1.00 0.00 N ATOM 507 CA GLU A 31 10.049 -2.170 6.823 1.00 0.00 C ATOM 508 C GLU A 31 8.769 -2.846 7.299 1.00 0.00 C ATOM 509 O GLU A 31 7.832 -3.030 6.522 1.00 0.00 O ATOM 510 CB GLU A 31 10.059 -0.696 7.234 1.00 0.00 C ATOM 511 CG GLU A 31 11.084 -0.372 8.307 1.00 0.00 C ATOM 512 CD GLU A 31 11.300 1.119 8.476 1.00 0.00 C ATOM 513 OE1 GLU A 31 10.336 1.820 8.852 1.00 0.00 O ATOM 514 OE2 GLU A 31 12.432 1.586 8.235 1.00 0.00 O ATOM 0 H GLU A 31 9.707 -1.558 4.848 1.00 0.00 H new ATOM 0 HA GLU A 31 10.901 -2.663 7.291 1.00 0.00 H new ATOM 0 HB2 GLU A 31 10.259 -0.083 6.355 1.00 0.00 H new ATOM 0 HB3 GLU A 31 9.068 -0.421 7.595 1.00 0.00 H new ATOM 0 HG2 GLU A 31 10.758 -0.798 9.256 1.00 0.00 H new ATOM 0 HG3 GLU A 31 12.032 -0.846 8.054 1.00 0.00 H new ATOM 521 N LEU A 32 8.734 -3.228 8.569 1.00 0.00 N ATOM 522 CA LEU A 32 7.563 -3.900 9.120 1.00 0.00 C ATOM 523 C LEU A 32 7.254 -3.423 10.532 1.00 0.00 C ATOM 524 O LEU A 32 7.959 -3.758 11.484 1.00 0.00 O ATOM 525 CB LEU A 32 7.788 -5.416 9.117 1.00 0.00 C ATOM 526 CG LEU A 32 6.540 -6.299 9.300 1.00 0.00 C ATOM 527 CD1 LEU A 32 6.952 -7.726 9.642 1.00 0.00 C ATOM 528 CD2 LEU A 32 5.620 -5.743 10.382 1.00 0.00 C ATOM 0 H LEU A 32 9.496 -3.086 9.233 1.00 0.00 H new ATOM 0 HA LEU A 32 6.707 -3.654 8.492 1.00 0.00 H new ATOM 0 HB2 LEU A 32 8.262 -5.688 8.174 1.00 0.00 H new ATOM 0 HB3 LEU A 32 8.495 -5.657 9.911 1.00 0.00 H new ATOM 0 HG LEU A 32 5.989 -6.301 8.360 1.00 0.00 H new ATOM 0 HD11 LEU A 32 6.061 -8.341 9.769 1.00 0.00 H new ATOM 0 HD12 LEU A 32 7.561 -8.132 8.835 1.00 0.00 H new ATOM 0 HD13 LEU A 32 7.528 -7.726 10.567 1.00 0.00 H new ATOM 0 HD21 LEU A 32 4.749 -6.390 10.486 1.00 0.00 H new ATOM 0 HD22 LEU A 32 6.157 -5.702 11.330 1.00 0.00 H new ATOM 0 HD23 LEU A 32 5.296 -4.740 10.104 1.00 0.00 H new ATOM 540 N THR A 33 6.172 -2.667 10.660 1.00 0.00 N ATOM 541 CA THR A 33 5.732 -2.168 11.957 1.00 0.00 C ATOM 542 C THR A 33 4.267 -2.530 12.146 1.00 0.00 C ATOM 543 O THR A 33 3.550 -2.746 11.169 1.00 0.00 O ATOM 544 CB THR A 33 5.916 -0.651 12.040 1.00 0.00 C ATOM 545 OG1 THR A 33 5.418 -0.021 10.873 1.00 0.00 O ATOM 546 CG2 THR A 33 7.361 -0.232 12.208 1.00 0.00 C ATOM 0 H THR A 33 5.580 -2.385 9.879 1.00 0.00 H new ATOM 0 HA THR A 33 6.332 -2.623 12.745 1.00 0.00 H new ATOM 0 HB THR A 33 5.360 -0.340 12.924 1.00 0.00 H new ATOM 0 HG1 THR A 33 5.543 0.948 10.946 1.00 0.00 H new ATOM 0 HG21 THR A 33 7.421 0.855 12.260 1.00 0.00 H new ATOM 0 HG22 THR A 33 7.760 -0.662 13.127 1.00 0.00 H new ATOM 0 HG23 THR A 33 7.944 -0.587 11.358 1.00 0.00 H new ATOM 554 N PRO A 34 3.786 -2.599 13.392 1.00 0.00 N ATOM 555 CA PRO A 34 2.389 -2.932 13.661 1.00 0.00 C ATOM 556 C PRO A 34 1.469 -1.774 13.321 1.00 0.00 C ATOM 557 O PRO A 34 0.626 -1.374 14.124 1.00 0.00 O ATOM 558 CB PRO A 34 2.373 -3.216 15.155 1.00 0.00 C ATOM 559 CG PRO A 34 3.515 -2.435 15.713 1.00 0.00 C ATOM 560 CD PRO A 34 4.552 -2.347 14.623 1.00 0.00 C ATOM 0 HA PRO A 34 2.035 -3.771 13.062 1.00 0.00 H new ATOM 0 HB2 PRO A 34 1.429 -2.909 15.604 1.00 0.00 H new ATOM 0 HB3 PRO A 34 2.489 -4.281 15.355 1.00 0.00 H new ATOM 0 HG2 PRO A 34 3.191 -1.441 16.020 1.00 0.00 H new ATOM 0 HG3 PRO A 34 3.923 -2.924 16.597 1.00 0.00 H new ATOM 0 HD2 PRO A 34 5.030 -1.368 14.604 1.00 0.00 H new ATOM 0 HD3 PRO A 34 5.342 -3.085 14.761 1.00 0.00 H new ATOM 568 N GLU A 35 1.652 -1.237 12.124 1.00 0.00 N ATOM 569 CA GLU A 35 0.865 -0.111 11.653 1.00 0.00 C ATOM 570 C GLU A 35 0.875 -0.023 10.126 1.00 0.00 C ATOM 571 O GLU A 35 -0.142 0.303 9.515 1.00 0.00 O ATOM 572 CB GLU A 35 1.407 1.194 12.248 1.00 0.00 C ATOM 573 CG GLU A 35 1.314 1.268 13.762 1.00 0.00 C ATOM 574 CD GLU A 35 -0.117 1.219 14.263 1.00 0.00 C ATOM 575 OE1 GLU A 35 -1.010 1.741 13.563 1.00 0.00 O ATOM 576 OE2 GLU A 35 -0.345 0.657 15.355 1.00 0.00 O ATOM 0 H GLU A 35 2.347 -1.569 11.456 1.00 0.00 H new ATOM 0 HA GLU A 35 -0.164 -0.263 11.979 1.00 0.00 H new ATOM 0 HB2 GLU A 35 2.450 1.311 11.952 1.00 0.00 H new ATOM 0 HB3 GLU A 35 0.858 2.032 11.819 1.00 0.00 H new ATOM 0 HG2 GLU A 35 1.876 0.442 14.197 1.00 0.00 H new ATOM 0 HG3 GLU A 35 1.784 2.189 14.106 1.00 0.00 H new ATOM 583 N ARG A 36 2.027 -0.301 9.507 1.00 0.00 N ATOM 584 CA ARG A 36 2.134 -0.231 8.057 1.00 0.00 C ATOM 585 C ARG A 36 3.446 -0.806 7.549 1.00 0.00 C ATOM 586 O ARG A 36 4.377 -1.055 8.314 1.00 0.00 O ATOM 587 CB ARG A 36 2.019 1.217 7.573 1.00 0.00 C ATOM 588 CG ARG A 36 2.834 2.203 8.398 1.00 0.00 C ATOM 589 CD ARG A 36 2.008 2.830 9.511 1.00 0.00 C ATOM 590 NE ARG A 36 1.847 4.271 9.328 1.00 0.00 N ATOM 591 CZ ARG A 36 2.854 5.140 9.366 1.00 0.00 C ATOM 592 NH1 ARG A 36 4.095 4.721 9.583 1.00 0.00 N ATOM 593 NH2 ARG A 36 2.620 6.432 9.189 1.00 0.00 N ATOM 0 H ARG A 36 2.886 -0.573 9.986 1.00 0.00 H new ATOM 0 HA ARG A 36 1.313 -0.828 7.660 1.00 0.00 H new ATOM 0 HB2 ARG A 36 2.344 1.271 6.534 1.00 0.00 H new ATOM 0 HB3 ARG A 36 0.971 1.516 7.596 1.00 0.00 H new ATOM 0 HG2 ARG A 36 3.695 1.692 8.829 1.00 0.00 H new ATOM 0 HG3 ARG A 36 3.222 2.987 7.748 1.00 0.00 H new ATOM 0 HD2 ARG A 36 1.027 2.357 9.545 1.00 0.00 H new ATOM 0 HD3 ARG A 36 2.488 2.638 10.471 1.00 0.00 H new ATOM 0 HE ARG A 36 0.908 4.632 9.161 1.00 0.00 H new ATOM 0 HH11 ARG A 36 4.281 3.728 9.722 1.00 0.00 H new ATOM 0 HH12 ARG A 36 4.862 5.392 9.611 1.00 0.00 H new ATOM 0 HH21 ARG A 36 1.668 6.760 9.024 1.00 0.00 H new ATOM 0 HH22 ARG A 36 3.391 7.099 9.218 1.00 0.00 H new ATOM 607 N GLY A 37 3.508 -0.970 6.235 1.00 0.00 N ATOM 608 CA GLY A 37 4.706 -1.466 5.596 1.00 0.00 C ATOM 609 C GLY A 37 5.353 -0.362 4.773 1.00 0.00 C ATOM 610 O GLY A 37 4.652 0.486 4.223 1.00 0.00 O ATOM 0 H GLY A 37 2.740 -0.765 5.596 1.00 0.00 H new ATOM 0 HA2 GLY A 37 5.406 -1.827 6.349 1.00 0.00 H new ATOM 0 HA3 GLY A 37 4.462 -2.313 4.955 1.00 0.00 H new ATOM 614 N PHE A 38 6.678 -0.347 4.694 1.00 0.00 N ATOM 615 CA PHE A 38 7.383 0.683 3.943 1.00 0.00 C ATOM 616 C PHE A 38 8.293 0.046 2.908 1.00 0.00 C ATOM 617 O PHE A 38 9.245 -0.653 3.250 1.00 0.00 O ATOM 618 CB PHE A 38 8.186 1.548 4.916 1.00 0.00 C ATOM 619 CG PHE A 38 8.975 2.664 4.282 1.00 0.00 C ATOM 620 CD1 PHE A 38 8.332 3.738 3.679 1.00 0.00 C ATOM 621 CD2 PHE A 38 10.363 2.656 4.316 1.00 0.00 C ATOM 622 CE1 PHE A 38 9.058 4.773 3.125 1.00 0.00 C ATOM 623 CE2 PHE A 38 11.092 3.692 3.765 1.00 0.00 C ATOM 624 CZ PHE A 38 10.438 4.753 3.170 1.00 0.00 C ATOM 0 H PHE A 38 7.285 -1.035 5.140 1.00 0.00 H new ATOM 0 HA PHE A 38 6.665 1.312 3.416 1.00 0.00 H new ATOM 0 HB2 PHE A 38 7.500 1.979 5.645 1.00 0.00 H new ATOM 0 HB3 PHE A 38 8.874 0.905 5.466 1.00 0.00 H new ATOM 0 HD1 PHE A 38 7.253 3.763 3.643 1.00 0.00 H new ATOM 0 HD2 PHE A 38 10.880 1.829 4.780 1.00 0.00 H new ATOM 0 HE1 PHE A 38 8.546 5.600 2.656 1.00 0.00 H new ATOM 0 HE2 PHE A 38 12.171 3.672 3.799 1.00 0.00 H new ATOM 0 HZ PHE A 38 11.005 5.566 2.741 1.00 0.00 H new ATOM 634 N ILE A 39 7.998 0.298 1.641 1.00 0.00 N ATOM 635 CA ILE A 39 8.802 -0.252 0.552 1.00 0.00 C ATOM 636 C ILE A 39 9.212 0.864 -0.400 1.00 0.00 C ATOM 637 O ILE A 39 8.401 1.326 -1.203 1.00 0.00 O ATOM 638 CB ILE A 39 8.046 -1.342 -0.260 1.00 0.00 C ATOM 639 CG1 ILE A 39 7.149 -2.211 0.649 1.00 0.00 C ATOM 640 CG2 ILE A 39 9.047 -2.211 -1.022 1.00 0.00 C ATOM 641 CD1 ILE A 39 6.751 -3.546 0.043 1.00 0.00 C ATOM 0 H ILE A 39 7.213 0.876 1.340 1.00 0.00 H new ATOM 0 HA ILE A 39 9.675 -0.717 1.009 1.00 0.00 H new ATOM 0 HB ILE A 39 7.393 -0.840 -0.974 1.00 0.00 H new ATOM 0 HG12 ILE A 39 7.672 -2.393 1.588 1.00 0.00 H new ATOM 0 HG13 ILE A 39 6.245 -1.651 0.890 1.00 0.00 H new ATOM 0 HG21 ILE A 39 8.511 -2.972 -1.588 1.00 0.00 H new ATOM 0 HG22 ILE A 39 9.623 -1.588 -1.706 1.00 0.00 H new ATOM 0 HG23 ILE A 39 9.722 -2.693 -0.315 1.00 0.00 H new ATOM 0 HD11 ILE A 39 6.123 -4.092 0.747 1.00 0.00 H new ATOM 0 HD12 ILE A 39 6.198 -3.376 -0.881 1.00 0.00 H new ATOM 0 HD13 ILE A 39 7.646 -4.129 -0.172 1.00 0.00 H new ATOM 653 N ASP A 40 10.465 1.305 -0.315 1.00 0.00 N ATOM 654 CA ASP A 40 10.941 2.372 -1.182 1.00 0.00 C ATOM 655 C ASP A 40 11.907 1.840 -2.226 1.00 0.00 C ATOM 656 O ASP A 40 12.831 1.087 -1.917 1.00 0.00 O ATOM 657 CB ASP A 40 11.603 3.490 -0.371 1.00 0.00 C ATOM 658 CG ASP A 40 12.460 2.971 0.767 1.00 0.00 C ATOM 659 OD1 ASP A 40 11.956 2.159 1.571 1.00 0.00 O ATOM 660 OD2 ASP A 40 13.637 3.378 0.854 1.00 0.00 O ATOM 0 H ASP A 40 11.160 0.943 0.338 1.00 0.00 H new ATOM 0 HA ASP A 40 10.073 2.786 -1.695 1.00 0.00 H new ATOM 0 HB2 ASP A 40 12.219 4.096 -1.035 1.00 0.00 H new ATOM 0 HB3 ASP A 40 10.830 4.144 0.033 1.00 0.00 H new ATOM 665 N PHE A 41 11.679 2.246 -3.464 1.00 0.00 N ATOM 666 CA PHE A 41 12.519 1.829 -4.581 1.00 0.00 C ATOM 667 C PHE A 41 13.555 2.905 -4.906 1.00 0.00 C ATOM 668 O PHE A 41 14.216 2.852 -5.944 1.00 0.00 O ATOM 669 CB PHE A 41 11.652 1.579 -5.819 1.00 0.00 C ATOM 670 CG PHE A 41 10.952 0.240 -5.866 1.00 0.00 C ATOM 671 CD1 PHE A 41 10.783 -0.543 -4.728 1.00 0.00 C ATOM 672 CD2 PHE A 41 10.455 -0.230 -7.071 1.00 0.00 C ATOM 673 CE1 PHE A 41 10.137 -1.763 -4.801 1.00 0.00 C ATOM 674 CE2 PHE A 41 9.808 -1.449 -7.147 1.00 0.00 C ATOM 675 CZ PHE A 41 9.649 -2.216 -6.010 1.00 0.00 C ATOM 0 H PHE A 41 10.914 2.868 -3.725 1.00 0.00 H new ATOM 0 HA PHE A 41 13.034 0.911 -4.298 1.00 0.00 H new ATOM 0 HB2 PHE A 41 10.899 2.365 -5.878 1.00 0.00 H new ATOM 0 HB3 PHE A 41 12.280 1.672 -6.705 1.00 0.00 H new ATOM 0 HD1 PHE A 41 11.160 -0.194 -3.778 1.00 0.00 H new ATOM 0 HD2 PHE A 41 10.575 0.365 -7.964 1.00 0.00 H new ATOM 0 HE1 PHE A 41 10.014 -2.362 -3.911 1.00 0.00 H new ATOM 0 HE2 PHE A 41 9.427 -1.801 -8.094 1.00 0.00 H new ATOM 0 HZ PHE A 41 9.144 -3.169 -6.067 1.00 0.00 H new ATOM 685 N GLY A 42 13.680 3.888 -4.019 1.00 0.00 N ATOM 686 CA GLY A 42 14.619 4.974 -4.231 1.00 0.00 C ATOM 687 C GLY A 42 13.905 6.274 -4.544 1.00 0.00 C ATOM 688 O GLY A 42 13.480 6.989 -3.637 1.00 0.00 O ATOM 0 H GLY A 42 13.145 3.951 -3.153 1.00 0.00 H new ATOM 0 HA2 GLY A 42 15.236 5.102 -3.341 1.00 0.00 H new ATOM 0 HA3 GLY A 42 15.291 4.720 -5.051 1.00 0.00 H new ATOM 692 N ASP A 43 13.744 6.567 -5.831 1.00 0.00 N ATOM 693 CA ASP A 43 13.041 7.773 -6.258 1.00 0.00 C ATOM 694 C ASP A 43 11.548 7.474 -6.357 1.00 0.00 C ATOM 695 O ASP A 43 10.916 7.702 -7.389 1.00 0.00 O ATOM 696 CB ASP A 43 13.585 8.262 -7.604 1.00 0.00 C ATOM 697 CG ASP A 43 14.063 9.700 -7.546 1.00 0.00 C ATOM 698 OD1 ASP A 43 13.252 10.581 -7.192 1.00 0.00 O ATOM 699 OD2 ASP A 43 15.248 9.945 -7.855 1.00 0.00 O ATOM 0 H ASP A 43 14.090 5.987 -6.595 1.00 0.00 H new ATOM 0 HA ASP A 43 13.201 8.564 -5.525 1.00 0.00 H new ATOM 0 HB2 ASP A 43 14.409 7.620 -7.914 1.00 0.00 H new ATOM 0 HB3 ASP A 43 12.807 8.171 -8.362 1.00 0.00 H new ATOM 704 N SER A 44 11.008 6.930 -5.270 1.00 0.00 N ATOM 705 CA SER A 44 9.602 6.546 -5.187 1.00 0.00 C ATOM 706 C SER A 44 9.407 5.642 -3.967 1.00 0.00 C ATOM 707 O SER A 44 10.374 5.057 -3.478 1.00 0.00 O ATOM 708 CB SER A 44 9.180 5.826 -6.474 1.00 0.00 C ATOM 709 OG SER A 44 10.282 5.157 -7.065 1.00 0.00 O ATOM 0 H SER A 44 11.536 6.742 -4.418 1.00 0.00 H new ATOM 0 HA SER A 44 8.978 7.433 -5.077 1.00 0.00 H new ATOM 0 HB2 SER A 44 8.391 5.108 -6.252 1.00 0.00 H new ATOM 0 HB3 SER A 44 8.766 6.547 -7.179 1.00 0.00 H new ATOM 0 HG SER A 44 9.989 4.704 -7.883 1.00 0.00 H new ATOM 715 N ASN A 45 8.179 5.529 -3.457 1.00 0.00 N ATOM 716 CA ASN A 45 7.937 4.695 -2.283 1.00 0.00 C ATOM 717 C ASN A 45 6.504 4.177 -2.272 1.00 0.00 C ATOM 718 O ASN A 45 5.657 4.658 -3.023 1.00 0.00 O ATOM 719 CB ASN A 45 8.218 5.482 -0.992 1.00 0.00 C ATOM 720 CG ASN A 45 9.397 6.432 -1.119 1.00 0.00 C ATOM 721 OD1 ASN A 45 10.458 6.202 -0.539 1.00 0.00 O ATOM 722 ND2 ASN A 45 9.217 7.506 -1.877 1.00 0.00 N ATOM 0 H ASN A 45 7.353 5.995 -3.831 1.00 0.00 H new ATOM 0 HA ASN A 45 8.616 3.843 -2.332 1.00 0.00 H new ATOM 0 HB2 ASN A 45 7.329 6.050 -0.719 1.00 0.00 H new ATOM 0 HB3 ASN A 45 8.410 4.780 -0.180 1.00 0.00 H new ATOM 0 HD21 ASN A 45 9.974 8.179 -1.996 1.00 0.00 H new ATOM 0 HD22 ASN A 45 8.321 7.659 -2.340 1.00 0.00 H new ATOM 729 N CYS A 46 6.232 3.196 -1.414 1.00 0.00 N ATOM 730 CA CYS A 46 4.897 2.628 -1.317 1.00 0.00 C ATOM 731 C CYS A 46 4.623 2.140 0.103 1.00 0.00 C ATOM 732 O CYS A 46 5.099 1.080 0.509 1.00 0.00 O ATOM 733 CB CYS A 46 4.724 1.471 -2.311 1.00 0.00 C ATOM 734 SG CYS A 46 6.247 0.928 -3.127 1.00 0.00 S ATOM 0 H CYS A 46 6.917 2.782 -0.781 1.00 0.00 H new ATOM 0 HA CYS A 46 4.180 3.410 -1.565 1.00 0.00 H new ATOM 0 HB2 CYS A 46 4.289 0.621 -1.784 1.00 0.00 H new ATOM 0 HB3 CYS A 46 4.008 1.773 -3.075 1.00 0.00 H new ATOM 0 HG CYS A 46 7.197 0.820 -2.246 1.00 0.00 H new ATOM 740 N GLU A 47 3.854 2.922 0.852 1.00 0.00 N ATOM 741 CA GLU A 47 3.512 2.578 2.226 1.00 0.00 C ATOM 742 C GLU A 47 2.099 1.997 2.279 1.00 0.00 C ATOM 743 O GLU A 47 1.277 2.279 1.407 1.00 0.00 O ATOM 744 CB GLU A 47 3.631 3.828 3.109 1.00 0.00 C ATOM 745 CG GLU A 47 4.067 3.568 4.550 1.00 0.00 C ATOM 746 CD GLU A 47 4.837 4.736 5.137 1.00 0.00 C ATOM 747 OE1 GLU A 47 4.363 5.884 5.006 1.00 0.00 O ATOM 748 OE2 GLU A 47 5.913 4.502 5.726 1.00 0.00 O ATOM 0 H GLU A 47 3.454 3.803 0.528 1.00 0.00 H new ATOM 0 HA GLU A 47 4.202 1.822 2.601 1.00 0.00 H new ATOM 0 HB2 GLU A 47 4.344 4.512 2.648 1.00 0.00 H new ATOM 0 HB3 GLU A 47 2.667 4.336 3.124 1.00 0.00 H new ATOM 0 HG2 GLU A 47 3.188 3.370 5.163 1.00 0.00 H new ATOM 0 HG3 GLU A 47 4.688 2.673 4.584 1.00 0.00 H new ATOM 755 N LEU A 48 1.819 1.177 3.289 1.00 0.00 N ATOM 756 CA LEU A 48 0.497 0.561 3.410 1.00 0.00 C ATOM 757 C LEU A 48 0.072 0.470 4.871 1.00 0.00 C ATOM 758 O LEU A 48 0.728 -0.187 5.676 1.00 0.00 O ATOM 759 CB LEU A 48 0.494 -0.837 2.751 1.00 0.00 C ATOM 760 CG LEU A 48 -0.844 -1.601 2.764 1.00 0.00 C ATOM 761 CD1 LEU A 48 -2.033 -0.657 2.653 1.00 0.00 C ATOM 762 CD2 LEU A 48 -0.881 -2.630 1.642 1.00 0.00 C ATOM 0 H LEU A 48 2.478 0.925 4.026 1.00 0.00 H new ATOM 0 HA LEU A 48 -0.224 1.191 2.889 1.00 0.00 H new ATOM 0 HB2 LEU A 48 0.813 -0.726 1.715 1.00 0.00 H new ATOM 0 HB3 LEU A 48 1.242 -1.451 3.251 1.00 0.00 H new ATOM 0 HG LEU A 48 -0.918 -2.116 3.722 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -2.958 -1.234 2.666 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -2.026 0.037 3.494 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -1.967 -0.097 1.720 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -1.833 -3.160 1.666 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -0.771 -2.126 0.682 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -0.066 -3.342 1.774 1.00 0.00 H new ATOM 774 N LEU A 49 -1.041 1.123 5.200 1.00 0.00 N ATOM 775 CA LEU A 49 -1.565 1.104 6.568 1.00 0.00 C ATOM 776 C LEU A 49 -2.578 -0.015 6.691 1.00 0.00 C ATOM 777 O LEU A 49 -3.447 -0.158 5.835 1.00 0.00 O ATOM 778 CB LEU A 49 -2.210 2.446 6.941 1.00 0.00 C ATOM 779 CG LEU A 49 -2.250 2.773 8.441 1.00 0.00 C ATOM 780 CD1 LEU A 49 -1.443 4.030 8.730 1.00 0.00 C ATOM 781 CD2 LEU A 49 -3.688 2.950 8.906 1.00 0.00 C ATOM 0 H LEU A 49 -1.597 1.670 4.543 1.00 0.00 H new ATOM 0 HA LEU A 49 -0.738 0.936 7.257 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -1.670 3.242 6.429 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -3.231 2.456 6.559 1.00 0.00 H new ATOM 0 HG LEU A 49 -1.807 1.942 8.989 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -1.481 4.249 9.797 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -0.407 3.875 8.428 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -1.862 4.868 8.173 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -3.700 3.181 9.971 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -4.152 3.766 8.352 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -4.244 2.029 8.728 1.00 0.00 H new ATOM 793 N ALA A 50 -2.452 -0.829 7.728 1.00 0.00 N ATOM 794 CA ALA A 50 -3.360 -1.949 7.892 1.00 0.00 C ATOM 795 C ALA A 50 -3.710 -2.235 9.344 1.00 0.00 C ATOM 796 O ALA A 50 -2.866 -2.661 10.132 1.00 0.00 O ATOM 797 CB ALA A 50 -2.759 -3.175 7.232 1.00 0.00 C ATOM 0 H ALA A 50 -1.743 -0.737 8.455 1.00 0.00 H new ATOM 0 HA ALA A 50 -4.300 -1.682 7.409 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -3.436 -4.021 7.351 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -2.607 -2.979 6.171 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -1.802 -3.407 7.699 1.00 0.00 H new ATOM 803 N HIS A 51 -4.981 -2.029 9.671 1.00 0.00 N ATOM 804 CA HIS A 51 -5.491 -2.288 10.994 1.00 0.00 C ATOM 805 C HIS A 51 -6.472 -3.467 10.920 1.00 0.00 C ATOM 806 O HIS A 51 -6.900 -3.859 9.836 1.00 0.00 O ATOM 807 CB HIS A 51 -6.155 -1.026 11.569 1.00 0.00 C ATOM 808 CG HIS A 51 -5.809 -0.763 13.003 1.00 0.00 C ATOM 809 ND1 HIS A 51 -6.700 -0.223 13.907 1.00 0.00 N ATOM 810 CD2 HIS A 51 -4.659 -0.975 13.694 1.00 0.00 C ATOM 811 CE1 HIS A 51 -6.116 -0.111 15.086 1.00 0.00 C ATOM 812 NE2 HIS A 51 -4.879 -0.561 14.984 1.00 0.00 N ATOM 0 H HIS A 51 -5.681 -1.677 9.018 1.00 0.00 H new ATOM 0 HA HIS A 51 -4.676 -2.553 11.667 1.00 0.00 H new ATOM 0 HB2 HIS A 51 -5.859 -0.165 10.969 1.00 0.00 H new ATOM 0 HB3 HIS A 51 -7.237 -1.122 11.477 1.00 0.00 H new ATOM 0 HD2 HIS A 51 -3.743 -1.391 13.302 1.00 0.00 H new ATOM 0 HE1 HIS A 51 -6.573 0.282 15.982 1.00 0.00 H new ATOM 0 HE2 HIS A 51 -4.197 -0.595 15.742 1.00 0.00 H new ATOM 821 N PRO A 52 -6.815 -4.061 12.065 1.00 0.00 N ATOM 822 CA PRO A 52 -7.716 -5.219 12.138 1.00 0.00 C ATOM 823 C PRO A 52 -8.992 -5.087 11.308 1.00 0.00 C ATOM 824 O PRO A 52 -9.635 -6.094 11.010 1.00 0.00 O ATOM 825 CB PRO A 52 -8.049 -5.295 13.626 1.00 0.00 C ATOM 826 CG PRO A 52 -6.840 -4.746 14.294 1.00 0.00 C ATOM 827 CD PRO A 52 -6.330 -3.661 13.386 1.00 0.00 C ATOM 0 HA PRO A 52 -7.241 -6.109 11.726 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -8.938 -4.711 13.866 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -8.247 -6.320 13.939 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -7.084 -4.349 15.280 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -6.087 -5.521 14.439 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -6.715 -2.683 13.675 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -5.242 -3.596 13.411 1.00 0.00 H new ATOM 835 N ASP A 53 -9.379 -3.866 10.941 1.00 0.00 N ATOM 836 CA ASP A 53 -10.602 -3.691 10.161 1.00 0.00 C ATOM 837 C ASP A 53 -10.502 -2.600 9.097 1.00 0.00 C ATOM 838 O ASP A 53 -11.471 -2.360 8.377 1.00 0.00 O ATOM 839 CB ASP A 53 -11.784 -3.406 11.087 1.00 0.00 C ATOM 840 CG ASP A 53 -13.113 -3.788 10.465 1.00 0.00 C ATOM 841 OD1 ASP A 53 -13.294 -4.980 10.138 1.00 0.00 O ATOM 842 OD2 ASP A 53 -13.972 -2.896 10.303 1.00 0.00 O ATOM 0 H ASP A 53 -8.879 -3.005 11.164 1.00 0.00 H new ATOM 0 HA ASP A 53 -10.757 -4.629 9.629 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -11.652 -3.955 12.019 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -11.796 -2.346 11.340 1.00 0.00 H new ATOM 847 N HIS A 54 -9.346 -1.959 8.957 1.00 0.00 N ATOM 848 CA HIS A 54 -9.208 -0.939 7.922 1.00 0.00 C ATOM 849 C HIS A 54 -7.799 -0.919 7.333 1.00 0.00 C ATOM 850 O HIS A 54 -6.846 -1.360 7.974 1.00 0.00 O ATOM 851 CB HIS A 54 -9.593 0.449 8.439 1.00 0.00 C ATOM 852 CG HIS A 54 -8.829 0.890 9.648 1.00 0.00 C ATOM 853 ND1 HIS A 54 -7.647 1.596 9.576 1.00 0.00 N ATOM 854 CD2 HIS A 54 -9.095 0.742 10.968 1.00 0.00 C ATOM 855 CE1 HIS A 54 -7.220 1.863 10.796 1.00 0.00 C ATOM 856 NE2 HIS A 54 -8.080 1.357 11.661 1.00 0.00 N ATOM 0 H HIS A 54 -8.515 -2.119 9.527 1.00 0.00 H new ATOM 0 HA HIS A 54 -9.903 -1.206 7.125 1.00 0.00 H new ATOM 0 HB2 HIS A 54 -9.440 1.176 7.642 1.00 0.00 H new ATOM 0 HB3 HIS A 54 -10.657 0.454 8.675 1.00 0.00 H new ATOM 0 HD2 HIS A 54 -9.947 0.235 11.396 1.00 0.00 H new ATOM 0 HE1 HIS A 54 -6.319 2.404 11.045 1.00 0.00 H new ATOM 0 HE2 HIS A 54 -8.004 1.413 12.677 1.00 0.00 H new ATOM 865 N VAL A 55 -7.674 -0.411 6.104 1.00 0.00 N ATOM 866 CA VAL A 55 -6.386 -0.344 5.436 1.00 0.00 C ATOM 867 C VAL A 55 -6.242 0.971 4.674 1.00 0.00 C ATOM 868 O VAL A 55 -7.176 1.426 4.014 1.00 0.00 O ATOM 869 CB VAL A 55 -6.197 -1.545 4.475 1.00 0.00 C ATOM 870 CG1 VAL A 55 -6.733 -1.245 3.080 1.00 0.00 C ATOM 871 CG2 VAL A 55 -4.737 -1.964 4.411 1.00 0.00 C ATOM 0 H VAL A 55 -8.452 -0.042 5.558 1.00 0.00 H new ATOM 0 HA VAL A 55 -5.610 -0.391 6.200 1.00 0.00 H new ATOM 0 HB VAL A 55 -6.778 -2.375 4.877 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -6.581 -2.112 2.438 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -7.798 -1.020 3.140 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -6.204 -0.388 2.663 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -4.630 -2.809 3.730 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -4.134 -1.130 4.052 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -4.398 -2.255 5.405 1.00 0.00 H new ATOM 881 N LEU A 56 -5.066 1.569 4.770 1.00 0.00 N ATOM 882 CA LEU A 56 -4.785 2.832 4.089 1.00 0.00 C ATOM 883 C LEU A 56 -3.628 2.650 3.118 1.00 0.00 C ATOM 884 O LEU A 56 -2.700 1.889 3.382 1.00 0.00 O ATOM 885 CB LEU A 56 -4.448 3.936 5.111 1.00 0.00 C ATOM 886 CG LEU A 56 -5.446 5.097 5.217 1.00 0.00 C ATOM 887 CD1 LEU A 56 -5.023 6.056 6.321 1.00 0.00 C ATOM 888 CD2 LEU A 56 -5.576 5.844 3.895 1.00 0.00 C ATOM 0 H LEU A 56 -4.285 1.202 5.314 1.00 0.00 H new ATOM 0 HA LEU A 56 -5.674 3.134 3.535 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -4.356 3.474 6.094 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -3.471 4.348 4.859 1.00 0.00 H new ATOM 0 HG LEU A 56 -6.421 4.676 5.462 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -5.739 6.875 6.386 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -4.992 5.525 7.272 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -4.034 6.456 6.097 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -6.291 6.659 4.007 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -4.605 6.249 3.609 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -5.925 5.159 3.123 1.00 0.00 H new ATOM 900 N MET A 57 -3.688 3.341 1.990 1.00 0.00 N ATOM 901 CA MET A 57 -2.639 3.233 0.983 1.00 0.00 C ATOM 902 C MET A 57 -2.079 4.605 0.624 1.00 0.00 C ATOM 903 O MET A 57 -2.778 5.437 0.051 1.00 0.00 O ATOM 904 CB MET A 57 -3.191 2.524 -0.256 1.00 0.00 C ATOM 905 CG MET A 57 -4.109 1.363 0.092 1.00 0.00 C ATOM 906 SD MET A 57 -4.777 0.542 -1.367 1.00 0.00 S ATOM 907 CE MET A 57 -6.535 0.691 -1.063 1.00 0.00 C ATOM 0 H MET A 57 -4.446 3.979 1.748 1.00 0.00 H new ATOM 0 HA MET A 57 -1.817 2.644 1.391 1.00 0.00 H new ATOM 0 HB2 MET A 57 -3.737 3.242 -0.868 1.00 0.00 H new ATOM 0 HB3 MET A 57 -2.361 2.157 -0.860 1.00 0.00 H new ATOM 0 HG2 MET A 57 -3.559 0.638 0.692 1.00 0.00 H new ATOM 0 HG3 MET A 57 -4.932 1.728 0.707 1.00 0.00 H new ATOM 0 HE1 MET A 57 -7.079 0.547 -1.996 1.00 0.00 H new ATOM 0 HE2 MET A 57 -6.845 -0.066 -0.342 1.00 0.00 H new ATOM 0 HE3 MET A 57 -6.753 1.682 -0.665 1.00 0.00 H new ATOM 917 N ILE A 58 -0.807 4.837 0.964 1.00 0.00 N ATOM 918 CA ILE A 58 -0.160 6.103 0.673 1.00 0.00 C ATOM 919 C ILE A 58 1.119 5.874 -0.119 1.00 0.00 C ATOM 920 O ILE A 58 1.913 4.994 0.212 1.00 0.00 O ATOM 921 CB ILE A 58 0.195 6.870 1.965 1.00 0.00 C ATOM 922 CG1 ILE A 58 -1.041 7.018 2.872 1.00 0.00 C ATOM 923 CG2 ILE A 58 0.791 8.223 1.615 1.00 0.00 C ATOM 924 CD1 ILE A 58 -1.376 8.451 3.244 1.00 0.00 C ATOM 0 H ILE A 58 -0.212 4.159 1.441 1.00 0.00 H new ATOM 0 HA ILE A 58 -0.864 6.696 0.090 1.00 0.00 H new ATOM 0 HB ILE A 58 0.939 6.300 2.521 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -1.901 6.575 2.369 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -0.877 6.447 3.786 1.00 0.00 H new ATOM 0 HG21 ILE A 58 1.039 8.759 2.531 1.00 0.00 H new ATOM 0 HG22 ILE A 58 1.694 8.080 1.022 1.00 0.00 H new ATOM 0 HG23 ILE A 58 0.068 8.802 1.041 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -2.259 8.464 3.883 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -0.535 8.895 3.777 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -1.575 9.025 2.339 1.00 0.00 H new ATOM 936 N LEU A 59 1.323 6.669 -1.163 1.00 0.00 N ATOM 937 CA LEU A 59 2.518 6.534 -1.982 1.00 0.00 C ATOM 938 C LEU A 59 3.328 7.817 -1.995 1.00 0.00 C ATOM 939 O LEU A 59 2.775 8.912 -1.998 1.00 0.00 O ATOM 940 CB LEU A 59 2.156 6.129 -3.422 1.00 0.00 C ATOM 941 CG LEU A 59 1.666 7.244 -4.363 1.00 0.00 C ATOM 942 CD1 LEU A 59 0.417 7.893 -3.807 1.00 0.00 C ATOM 943 CD2 LEU A 59 2.739 8.295 -4.621 1.00 0.00 C ATOM 0 H LEU A 59 0.683 7.406 -1.459 1.00 0.00 H new ATOM 0 HA LEU A 59 3.127 5.747 -1.538 1.00 0.00 H new ATOM 0 HB2 LEU A 59 3.034 5.667 -3.874 1.00 0.00 H new ATOM 0 HB3 LEU A 59 1.382 5.363 -3.373 1.00 0.00 H new ATOM 0 HG LEU A 59 1.433 6.778 -5.320 1.00 0.00 H new ATOM 0 HD11 LEU A 59 0.083 8.679 -4.484 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -0.368 7.144 -3.706 1.00 0.00 H new ATOM 0 HD13 LEU A 59 0.635 8.324 -2.830 1.00 0.00 H new ATOM 0 HD21 LEU A 59 2.345 9.060 -5.290 1.00 0.00 H new ATOM 0 HD22 LEU A 59 3.033 8.755 -3.677 1.00 0.00 H new ATOM 0 HD23 LEU A 59 3.608 7.823 -5.080 1.00 0.00 H new ATOM 955 N ASN A 60 4.641 7.671 -2.053 1.00 0.00 N ATOM 956 CA ASN A 60 5.526 8.822 -2.128 1.00 0.00 C ATOM 957 C ASN A 60 6.340 8.717 -3.406 1.00 0.00 C ATOM 958 O ASN A 60 7.273 7.921 -3.493 1.00 0.00 O ATOM 959 CB ASN A 60 6.446 8.893 -0.907 1.00 0.00 C ATOM 960 CG ASN A 60 5.674 8.943 0.397 1.00 0.00 C ATOM 961 OD1 ASN A 60 4.444 8.878 0.406 1.00 0.00 O ATOM 962 ND2 ASN A 60 6.393 9.059 1.507 1.00 0.00 N ATOM 0 H ASN A 60 5.117 6.769 -2.050 1.00 0.00 H new ATOM 0 HA ASN A 60 4.933 9.736 -2.137 1.00 0.00 H new ATOM 0 HB2 ASN A 60 7.106 8.026 -0.902 1.00 0.00 H new ATOM 0 HB3 ASN A 60 7.080 9.776 -0.984 1.00 0.00 H new ATOM 0 HD21 ASN A 60 5.928 9.098 2.414 1.00 0.00 H new ATOM 0 HD22 ASN A 60 7.410 9.109 1.453 1.00 0.00 H new ATOM 969 N SER A 61 5.965 9.494 -4.413 1.00 0.00 N ATOM 970 CA SER A 61 6.668 9.432 -5.700 1.00 0.00 C ATOM 971 C SER A 61 6.741 10.793 -6.401 1.00 0.00 C ATOM 972 O SER A 61 5.763 11.538 -6.447 1.00 0.00 O ATOM 973 CB SER A 61 5.984 8.419 -6.620 1.00 0.00 C ATOM 974 OG SER A 61 5.128 7.560 -5.889 1.00 0.00 O ATOM 0 H SER A 61 5.196 10.163 -4.373 1.00 0.00 H new ATOM 0 HA SER A 61 7.691 9.120 -5.488 1.00 0.00 H new ATOM 0 HB2 SER A 61 5.410 8.946 -7.382 1.00 0.00 H new ATOM 0 HB3 SER A 61 6.738 7.829 -7.140 1.00 0.00 H new ATOM 0 HG SER A 61 5.666 6.947 -5.346 1.00 0.00 H new ATOM 980 N PRO A 62 7.925 11.124 -6.952 1.00 0.00 N ATOM 981 CA PRO A 62 8.171 12.394 -7.658 1.00 0.00 C ATOM 982 C PRO A 62 7.438 12.527 -8.991 1.00 0.00 C ATOM 983 O PRO A 62 7.428 13.606 -9.583 1.00 0.00 O ATOM 984 CB PRO A 62 9.676 12.370 -7.896 1.00 0.00 C ATOM 985 CG PRO A 62 10.030 10.928 -7.924 1.00 0.00 C ATOM 986 CD PRO A 62 9.138 10.285 -6.911 1.00 0.00 C ATOM 0 HA PRO A 62 7.807 13.237 -7.071 1.00 0.00 H new ATOM 0 HB2 PRO A 62 9.936 12.860 -8.834 1.00 0.00 H new ATOM 0 HB3 PRO A 62 10.211 12.894 -7.104 1.00 0.00 H new ATOM 0 HG2 PRO A 62 9.871 10.503 -8.915 1.00 0.00 H new ATOM 0 HG3 PRO A 62 11.081 10.776 -7.677 1.00 0.00 H new ATOM 0 HD2 PRO A 62 8.920 9.248 -7.167 1.00 0.00 H new ATOM 0 HD3 PRO A 62 9.591 10.280 -5.920 1.00 0.00 H new ATOM 994 N ASP A 63 6.831 11.448 -9.473 1.00 0.00 N ATOM 995 CA ASP A 63 6.118 11.508 -10.742 1.00 0.00 C ATOM 996 C ASP A 63 4.813 10.711 -10.658 1.00 0.00 C ATOM 997 O ASP A 63 4.754 9.692 -9.974 1.00 0.00 O ATOM 998 CB ASP A 63 7.012 10.978 -11.871 1.00 0.00 C ATOM 999 CG ASP A 63 6.236 10.616 -13.125 1.00 0.00 C ATOM 1000 OD1 ASP A 63 5.268 11.334 -13.452 1.00 0.00 O ATOM 1001 OD2 ASP A 63 6.598 9.615 -13.778 1.00 0.00 O ATOM 0 H ASP A 63 6.818 10.537 -9.014 1.00 0.00 H new ATOM 0 HA ASP A 63 5.866 12.546 -10.960 1.00 0.00 H new ATOM 0 HB2 ASP A 63 7.760 11.732 -12.118 1.00 0.00 H new ATOM 0 HB3 ASP A 63 7.550 10.099 -11.518 1.00 0.00 H new ATOM 1006 N GLU A 64 3.764 11.175 -11.345 1.00 0.00 N ATOM 1007 CA GLU A 64 2.474 10.458 -11.299 1.00 0.00 C ATOM 1008 C GLU A 64 2.624 9.022 -11.794 1.00 0.00 C ATOM 1009 O GLU A 64 2.091 8.105 -11.177 1.00 0.00 O ATOM 1010 CB GLU A 64 1.363 11.176 -12.074 1.00 0.00 C ATOM 1011 CG GLU A 64 0.581 12.148 -11.204 1.00 0.00 C ATOM 1012 CD GLU A 64 1.161 13.548 -11.227 1.00 0.00 C ATOM 1013 OE1 GLU A 64 1.598 13.992 -12.309 1.00 0.00 O ATOM 1014 OE2 GLU A 64 1.177 14.202 -10.162 1.00 0.00 O ATOM 0 H GLU A 64 3.773 12.015 -11.923 1.00 0.00 H new ATOM 0 HA GLU A 64 2.173 10.442 -10.251 1.00 0.00 H new ATOM 0 HB2 GLU A 64 1.801 11.716 -12.914 1.00 0.00 H new ATOM 0 HB3 GLU A 64 0.680 10.437 -12.492 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -0.454 12.182 -11.544 1.00 0.00 H new ATOM 0 HG3 GLU A 64 0.568 11.781 -10.178 1.00 0.00 H new ATOM 1021 N ASP A 65 3.364 8.809 -12.887 1.00 0.00 N ATOM 1022 CA ASP A 65 3.572 7.453 -13.395 1.00 0.00 C ATOM 1023 C ASP A 65 3.967 6.552 -12.237 1.00 0.00 C ATOM 1024 O ASP A 65 3.317 5.545 -11.958 1.00 0.00 O ATOM 1025 CB ASP A 65 4.675 7.452 -14.446 1.00 0.00 C ATOM 1026 CG ASP A 65 4.735 6.153 -15.224 1.00 0.00 C ATOM 1027 OD1 ASP A 65 4.887 5.086 -14.590 1.00 0.00 O ATOM 1028 OD2 ASP A 65 4.630 6.200 -16.468 1.00 0.00 O ATOM 0 H ASP A 65 3.820 9.544 -13.427 1.00 0.00 H new ATOM 0 HA ASP A 65 2.652 7.089 -13.853 1.00 0.00 H new ATOM 0 HB2 ASP A 65 4.514 8.279 -15.138 1.00 0.00 H new ATOM 0 HB3 ASP A 65 5.635 7.625 -13.960 1.00 0.00 H new ATOM 1033 N SER A 66 5.011 6.970 -11.532 1.00 0.00 N ATOM 1034 CA SER A 66 5.477 6.254 -10.351 1.00 0.00 C ATOM 1035 C SER A 66 4.363 6.257 -9.311 1.00 0.00 C ATOM 1036 O SER A 66 3.896 5.213 -8.860 1.00 0.00 O ATOM 1037 CB SER A 66 6.723 6.928 -9.774 1.00 0.00 C ATOM 1038 OG SER A 66 7.254 6.177 -8.697 1.00 0.00 O ATOM 0 H SER A 66 5.553 7.804 -11.759 1.00 0.00 H new ATOM 0 HA SER A 66 5.736 5.231 -10.624 1.00 0.00 H new ATOM 0 HB2 SER A 66 7.477 7.035 -10.554 1.00 0.00 H new ATOM 0 HB3 SER A 66 6.472 7.932 -9.433 1.00 0.00 H new ATOM 0 HG SER A 66 8.014 5.645 -9.013 1.00 0.00 H new ATOM 1044 N LEU A 67 3.940 7.466 -8.971 1.00 0.00 N ATOM 1045 CA LEU A 67 2.866 7.711 -8.010 1.00 0.00 C ATOM 1046 C LEU A 67 1.726 6.709 -8.176 1.00 0.00 C ATOM 1047 O LEU A 67 1.410 5.963 -7.250 1.00 0.00 O ATOM 1048 CB LEU A 67 2.377 9.160 -8.210 1.00 0.00 C ATOM 1049 CG LEU A 67 1.036 9.565 -7.587 1.00 0.00 C ATOM 1050 CD1 LEU A 67 0.841 11.065 -7.708 1.00 0.00 C ATOM 1051 CD2 LEU A 67 -0.134 8.839 -8.234 1.00 0.00 C ATOM 0 H LEU A 67 4.338 8.321 -9.360 1.00 0.00 H new ATOM 0 HA LEU A 67 3.239 7.580 -6.994 1.00 0.00 H new ATOM 0 HB2 LEU A 67 3.143 9.827 -7.815 1.00 0.00 H new ATOM 0 HB3 LEU A 67 2.315 9.346 -9.282 1.00 0.00 H new ATOM 0 HG LEU A 67 1.062 9.280 -6.535 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -0.114 11.345 -7.263 1.00 0.00 H new ATOM 0 HD12 LEU A 67 1.649 11.580 -7.188 1.00 0.00 H new ATOM 0 HD13 LEU A 67 0.848 11.349 -8.760 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -1.064 9.156 -7.762 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -0.167 9.077 -9.297 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -0.010 7.764 -8.107 1.00 0.00 H new ATOM 1063 N ALA A 68 1.111 6.684 -9.350 1.00 0.00 N ATOM 1064 CA ALA A 68 0.014 5.761 -9.599 1.00 0.00 C ATOM 1065 C ALA A 68 0.515 4.325 -9.566 1.00 0.00 C ATOM 1066 O ALA A 68 -0.170 3.428 -9.076 1.00 0.00 O ATOM 1067 CB ALA A 68 -0.649 6.068 -10.934 1.00 0.00 C ATOM 0 H ALA A 68 1.350 7.286 -10.138 1.00 0.00 H new ATOM 0 HA ALA A 68 -0.730 5.885 -8.812 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -1.467 5.368 -11.104 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -1.039 7.086 -10.921 1.00 0.00 H new ATOM 0 HB3 ALA A 68 0.084 5.971 -11.735 1.00 0.00 H new ATOM 1073 N HIS A 69 1.727 4.114 -10.074 1.00 0.00 N ATOM 1074 CA HIS A 69 2.327 2.786 -10.082 1.00 0.00 C ATOM 1075 C HIS A 69 2.351 2.222 -8.667 1.00 0.00 C ATOM 1076 O HIS A 69 2.129 1.032 -8.452 1.00 0.00 O ATOM 1077 CB HIS A 69 3.748 2.840 -10.648 1.00 0.00 C ATOM 1078 CG HIS A 69 4.328 1.490 -10.937 1.00 0.00 C ATOM 1079 ND1 HIS A 69 3.825 0.248 -10.739 1.00 0.00 N flip ATOM 1080 CD2 HIS A 69 5.576 1.311 -11.497 1.00 0.00 C flip ATOM 1081 CE1 HIS A 69 4.768 -0.648 -11.178 1.00 0.00 C flip ATOM 1082 NE2 HIS A 69 5.815 0.018 -11.632 1.00 0.00 N flip ATOM 0 H HIS A 69 2.310 4.844 -10.484 1.00 0.00 H new ATOM 0 HA HIS A 69 1.727 2.136 -10.719 1.00 0.00 H new ATOM 0 HB2 HIS A 69 3.743 3.428 -11.566 1.00 0.00 H new ATOM 0 HB3 HIS A 69 4.393 3.360 -9.940 1.00 0.00 H new ATOM 0 HD2 HIS A 69 6.252 2.104 -11.781 1.00 0.00 H new ATOM 0 HE1 HIS A 69 4.670 -1.723 -11.156 1.00 0.00 H new ATOM 0 HE2 HIS A 69 6.663 -0.395 -12.020 1.00 0.00 H new ATOM 1091 N MET A 70 2.622 3.099 -7.707 1.00 0.00 N ATOM 1092 CA MET A 70 2.680 2.713 -6.298 1.00 0.00 C ATOM 1093 C MET A 70 1.271 2.598 -5.698 1.00 0.00 C ATOM 1094 O MET A 70 0.904 1.542 -5.181 1.00 0.00 O ATOM 1095 CB MET A 70 3.519 3.732 -5.507 1.00 0.00 C ATOM 1096 CG MET A 70 4.723 4.282 -6.265 1.00 0.00 C ATOM 1097 SD MET A 70 6.285 3.602 -5.673 1.00 0.00 S ATOM 1098 CE MET A 70 6.709 2.504 -7.023 1.00 0.00 C ATOM 0 H MET A 70 2.806 4.088 -7.878 1.00 0.00 H new ATOM 0 HA MET A 70 3.154 1.734 -6.230 1.00 0.00 H new ATOM 0 HB2 MET A 70 2.878 4.564 -5.216 1.00 0.00 H new ATOM 0 HB3 MET A 70 3.868 3.261 -4.588 1.00 0.00 H new ATOM 0 HG2 MET A 70 4.613 4.059 -7.326 1.00 0.00 H new ATOM 0 HG3 MET A 70 4.744 5.368 -6.168 1.00 0.00 H new ATOM 0 HE1 MET A 70 7.655 2.008 -6.805 1.00 0.00 H new ATOM 0 HE2 MET A 70 5.926 1.756 -7.143 1.00 0.00 H new ATOM 0 HE3 MET A 70 6.805 3.080 -7.944 1.00 0.00 H new ATOM 1108 N GLN A 71 0.480 3.677 -5.753 1.00 0.00 N ATOM 1109 CA GLN A 71 -0.874 3.650 -5.194 1.00 0.00 C ATOM 1110 C GLN A 71 -1.727 2.540 -5.812 1.00 0.00 C ATOM 1111 O GLN A 71 -2.640 2.027 -5.166 1.00 0.00 O ATOM 1112 CB GLN A 71 -1.599 5.003 -5.340 1.00 0.00 C ATOM 1113 CG GLN A 71 -1.328 5.755 -6.627 1.00 0.00 C ATOM 1114 CD GLN A 71 -2.606 6.148 -7.345 1.00 0.00 C ATOM 1115 OE1 GLN A 71 -3.039 5.473 -8.280 1.00 0.00 O ATOM 1116 NE2 GLN A 71 -3.216 7.246 -6.911 1.00 0.00 N ATOM 0 H GLN A 71 0.750 4.566 -6.173 1.00 0.00 H new ATOM 0 HA GLN A 71 -0.749 3.444 -4.131 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -2.672 4.830 -5.260 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -1.315 5.639 -4.502 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -0.748 6.651 -6.406 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -0.720 5.135 -7.286 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -2.822 7.775 -6.133 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -4.078 7.560 -7.356 1.00 0.00 H new ATOM 1125 N ASN A 72 -1.436 2.169 -7.056 1.00 0.00 N ATOM 1126 CA ASN A 72 -2.197 1.118 -7.727 1.00 0.00 C ATOM 1127 C ASN A 72 -1.701 -0.268 -7.326 1.00 0.00 C ATOM 1128 O ASN A 72 -2.499 -1.163 -7.049 1.00 0.00 O ATOM 1129 CB ASN A 72 -2.123 1.280 -9.246 1.00 0.00 C ATOM 1130 CG ASN A 72 -3.353 0.737 -9.946 1.00 0.00 C ATOM 1131 OD1 ASN A 72 -3.389 -0.424 -10.352 1.00 0.00 O ATOM 1132 ND2 ASN A 72 -4.372 1.578 -10.089 1.00 0.00 N ATOM 0 H ASN A 72 -0.686 2.576 -7.616 1.00 0.00 H new ATOM 0 HA ASN A 72 -3.236 1.214 -7.412 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -2.005 2.336 -9.491 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -1.238 0.765 -9.621 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -5.227 1.269 -10.551 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -4.299 2.533 -9.737 1.00 0.00 H new ATOM 1139 N VAL A 73 -0.379 -0.440 -7.293 1.00 0.00 N ATOM 1140 CA VAL A 73 0.222 -1.719 -6.920 1.00 0.00 C ATOM 1141 C VAL A 73 -0.465 -2.301 -5.685 1.00 0.00 C ATOM 1142 O VAL A 73 -0.731 -3.501 -5.618 1.00 0.00 O ATOM 1143 CB VAL A 73 1.741 -1.565 -6.661 1.00 0.00 C ATOM 1144 CG1 VAL A 73 2.265 -2.647 -5.725 1.00 0.00 C ATOM 1145 CG2 VAL A 73 2.506 -1.585 -7.975 1.00 0.00 C ATOM 0 H VAL A 73 0.295 0.291 -7.520 1.00 0.00 H new ATOM 0 HA VAL A 73 0.083 -2.407 -7.754 1.00 0.00 H new ATOM 0 HB VAL A 73 1.898 -0.603 -6.173 1.00 0.00 H new ATOM 0 HG11 VAL A 73 3.334 -2.505 -5.568 1.00 0.00 H new ATOM 0 HG12 VAL A 73 1.746 -2.584 -4.769 1.00 0.00 H new ATOM 0 HG13 VAL A 73 2.090 -3.627 -6.168 1.00 0.00 H new ATOM 0 HG21 VAL A 73 3.572 -1.476 -7.777 1.00 0.00 H new ATOM 0 HG22 VAL A 73 2.327 -2.531 -8.486 1.00 0.00 H new ATOM 0 HG23 VAL A 73 2.168 -0.763 -8.605 1.00 0.00 H new ATOM 1155 N VAL A 74 -0.755 -1.441 -4.715 1.00 0.00 N ATOM 1156 CA VAL A 74 -1.419 -1.874 -3.489 1.00 0.00 C ATOM 1157 C VAL A 74 -2.866 -2.278 -3.769 1.00 0.00 C ATOM 1158 O VAL A 74 -3.320 -3.328 -3.314 1.00 0.00 O ATOM 1159 CB VAL A 74 -1.403 -0.777 -2.405 1.00 0.00 C ATOM 1160 CG1 VAL A 74 -2.186 -1.213 -1.170 1.00 0.00 C ATOM 1161 CG2 VAL A 74 0.025 -0.407 -2.023 1.00 0.00 C ATOM 0 H VAL A 74 -0.542 -0.444 -4.752 1.00 0.00 H new ATOM 0 HA VAL A 74 -0.862 -2.734 -3.119 1.00 0.00 H new ATOM 0 HB VAL A 74 -1.887 0.106 -2.823 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -2.158 -0.420 -0.423 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -3.221 -1.413 -1.447 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -1.740 -2.117 -0.757 1.00 0.00 H new ATOM 0 HG21 VAL A 74 0.007 0.368 -1.257 1.00 0.00 H new ATOM 0 HG22 VAL A 74 0.538 -1.288 -1.636 1.00 0.00 H new ATOM 0 HG23 VAL A 74 0.552 -0.037 -2.902 1.00 0.00 H new ATOM 1171 N ALA A 75 -3.589 -1.447 -4.529 1.00 0.00 N ATOM 1172 CA ALA A 75 -4.979 -1.742 -4.869 1.00 0.00 C ATOM 1173 C ALA A 75 -5.108 -3.178 -5.356 1.00 0.00 C ATOM 1174 O ALA A 75 -6.156 -3.807 -5.215 1.00 0.00 O ATOM 1175 CB ALA A 75 -5.491 -0.777 -5.931 1.00 0.00 C ATOM 0 H ALA A 75 -3.235 -0.572 -4.916 1.00 0.00 H new ATOM 0 HA ALA A 75 -5.586 -1.618 -3.972 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -6.528 -1.015 -6.169 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -5.430 0.244 -5.554 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -4.882 -0.869 -6.830 1.00 0.00 H new ATOM 1181 N ASP A 76 -4.019 -3.687 -5.921 1.00 0.00 N ATOM 1182 CA ASP A 76 -3.986 -5.054 -6.426 1.00 0.00 C ATOM 1183 C ASP A 76 -3.826 -6.052 -5.280 1.00 0.00 C ATOM 1184 O ASP A 76 -4.466 -7.103 -5.270 1.00 0.00 O ATOM 1185 CB ASP A 76 -2.845 -5.222 -7.428 1.00 0.00 C ATOM 1186 CG ASP A 76 -3.128 -6.304 -8.452 1.00 0.00 C ATOM 1187 OD1 ASP A 76 -4.049 -6.116 -9.275 1.00 0.00 O ATOM 1188 OD2 ASP A 76 -2.431 -7.340 -8.431 1.00 0.00 O ATOM 0 H ASP A 76 -3.146 -3.173 -6.041 1.00 0.00 H new ATOM 0 HA ASP A 76 -4.932 -5.253 -6.929 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -2.674 -4.276 -7.941 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -1.927 -5.464 -6.892 1.00 0.00 H new ATOM 1193 N HIS A 77 -2.965 -5.718 -4.321 1.00 0.00 N ATOM 1194 CA HIS A 77 -2.722 -6.594 -3.176 1.00 0.00 C ATOM 1195 C HIS A 77 -4.004 -6.839 -2.380 1.00 0.00 C ATOM 1196 O HIS A 77 -4.276 -7.966 -1.967 1.00 0.00 O ATOM 1197 CB HIS A 77 -1.634 -6.008 -2.269 1.00 0.00 C ATOM 1198 CG HIS A 77 -0.387 -5.615 -3.002 1.00 0.00 C ATOM 1199 ND1 HIS A 77 -0.191 -5.867 -4.344 1.00 0.00 N ATOM 1200 CD2 HIS A 77 0.732 -4.985 -2.573 1.00 0.00 C ATOM 1201 CE1 HIS A 77 0.994 -5.411 -4.707 1.00 0.00 C ATOM 1202 NE2 HIS A 77 1.573 -4.870 -3.652 1.00 0.00 N ATOM 0 H HIS A 77 -2.426 -4.852 -4.313 1.00 0.00 H new ATOM 0 HA HIS A 77 -2.377 -7.554 -3.561 1.00 0.00 H new ATOM 0 HB2 HIS A 77 -2.034 -5.134 -1.755 1.00 0.00 H new ATOM 0 HB3 HIS A 77 -1.379 -6.740 -1.502 1.00 0.00 H new ATOM 0 HD2 HIS A 77 0.927 -4.638 -1.569 1.00 0.00 H new ATOM 0 HE1 HIS A 77 1.417 -5.471 -5.699 1.00 0.00 H new ATOM 0 HE2 HIS A 77 2.496 -4.436 -3.640 1.00 0.00 H new ATOM 1211 N LEU A 78 -4.798 -5.787 -2.175 1.00 0.00 N ATOM 1212 CA LEU A 78 -6.048 -5.913 -1.443 1.00 0.00 C ATOM 1213 C LEU A 78 -7.009 -6.828 -2.196 1.00 0.00 C ATOM 1214 O LEU A 78 -7.877 -7.462 -1.597 1.00 0.00 O ATOM 1215 CB LEU A 78 -6.690 -4.533 -1.236 1.00 0.00 C ATOM 1216 CG LEU A 78 -5.957 -3.585 -0.275 1.00 0.00 C ATOM 1217 CD1 LEU A 78 -6.871 -2.442 0.135 1.00 0.00 C ATOM 1218 CD2 LEU A 78 -5.462 -4.334 0.955 1.00 0.00 C ATOM 0 H LEU A 78 -4.594 -4.844 -2.506 1.00 0.00 H new ATOM 0 HA LEU A 78 -5.835 -6.349 -0.467 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -6.771 -4.043 -2.206 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -7.705 -4.679 -0.867 1.00 0.00 H new ATOM 0 HG LEU A 78 -5.091 -3.175 -0.794 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -6.339 -1.777 0.816 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -7.177 -1.885 -0.751 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -7.753 -2.843 0.634 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -4.946 -3.641 1.620 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -6.310 -4.776 1.478 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -4.774 -5.122 0.649 1.00 0.00 H new ATOM 1230 N GLN A 79 -6.852 -6.886 -3.516 1.00 0.00 N ATOM 1231 CA GLN A 79 -7.709 -7.722 -4.352 1.00 0.00 C ATOM 1232 C GLN A 79 -7.358 -9.206 -4.210 1.00 0.00 C ATOM 1233 O GLN A 79 -8.247 -10.046 -4.075 1.00 0.00 O ATOM 1234 CB GLN A 79 -7.613 -7.282 -5.819 1.00 0.00 C ATOM 1235 CG GLN A 79 -8.272 -8.244 -6.795 1.00 0.00 C ATOM 1236 CD GLN A 79 -8.384 -7.670 -8.194 1.00 0.00 C ATOM 1237 OE1 GLN A 79 -8.971 -6.484 -8.302 1.00 0.00 O flip ATOM 1238 NE2 GLN A 79 -7.947 -8.286 -9.167 1.00 0.00 N flip ATOM 0 H GLN A 79 -6.141 -6.365 -4.029 1.00 0.00 H new ATOM 0 HA GLN A 79 -8.737 -7.594 -4.012 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -8.074 -6.300 -5.925 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -6.562 -7.171 -6.087 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -7.697 -9.170 -6.831 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -9.267 -8.500 -6.431 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -7.503 -9.195 -9.038 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -8.029 -7.887 -10.102 1.00 0.00 H new ATOM 1247 N ARG A 80 -6.066 -9.528 -4.244 1.00 0.00 N ATOM 1248 CA ARG A 80 -5.620 -10.905 -4.120 1.00 0.00 C ATOM 1249 C ARG A 80 -6.101 -11.515 -2.804 1.00 0.00 C ATOM 1250 O ARG A 80 -6.444 -12.695 -2.745 1.00 0.00 O ATOM 1251 CB ARG A 80 -4.092 -10.959 -4.219 1.00 0.00 C ATOM 1252 CG ARG A 80 -3.465 -12.194 -3.598 1.00 0.00 C ATOM 1253 CD ARG A 80 -2.215 -12.617 -4.350 1.00 0.00 C ATOM 1254 NE ARG A 80 -1.564 -13.768 -3.728 1.00 0.00 N ATOM 1255 CZ ARG A 80 -0.783 -13.686 -2.654 1.00 0.00 C ATOM 1256 NH1 ARG A 80 -0.552 -12.511 -2.079 1.00 0.00 N ATOM 1257 NH2 ARG A 80 -0.229 -14.782 -2.153 1.00 0.00 N ATOM 0 H ARG A 80 -5.313 -8.850 -4.357 1.00 0.00 H new ATOM 0 HA ARG A 80 -6.049 -11.492 -4.932 1.00 0.00 H new ATOM 0 HB2 ARG A 80 -3.807 -10.911 -5.270 1.00 0.00 H new ATOM 0 HB3 ARG A 80 -3.678 -10.074 -3.736 1.00 0.00 H new ATOM 0 HG2 ARG A 80 -3.214 -11.992 -2.557 1.00 0.00 H new ATOM 0 HG3 ARG A 80 -4.187 -13.011 -3.600 1.00 0.00 H new ATOM 0 HD2 ARG A 80 -2.477 -12.861 -5.379 1.00 0.00 H new ATOM 0 HD3 ARG A 80 -1.515 -11.782 -4.389 1.00 0.00 H new ATOM 0 HE ARG A 80 -1.717 -14.688 -4.141 1.00 0.00 H new ATOM 0 HH11 ARG A 80 -0.974 -11.665 -2.461 1.00 0.00 H new ATOM 0 HH12 ARG A 80 0.048 -12.455 -1.256 1.00 0.00 H new ATOM 0 HH21 ARG A 80 -0.402 -15.687 -2.591 1.00 0.00 H new ATOM 0 HH22 ARG A 80 0.370 -14.720 -1.330 1.00 0.00 H new ATOM 1271 N MET A 81 -6.117 -10.705 -1.750 1.00 0.00 N ATOM 1272 CA MET A 81 -6.550 -11.176 -0.438 1.00 0.00 C ATOM 1273 C MET A 81 -8.073 -11.156 -0.297 1.00 0.00 C ATOM 1274 O MET A 81 -8.625 -11.758 0.624 1.00 0.00 O ATOM 1275 CB MET A 81 -5.902 -10.347 0.675 1.00 0.00 C ATOM 1276 CG MET A 81 -6.184 -8.849 0.612 1.00 0.00 C ATOM 1277 SD MET A 81 -7.862 -8.422 1.114 1.00 0.00 S ATOM 1278 CE MET A 81 -7.544 -7.007 2.164 1.00 0.00 C ATOM 0 H MET A 81 -5.837 -9.725 -1.777 1.00 0.00 H new ATOM 0 HA MET A 81 -6.224 -12.212 -0.344 1.00 0.00 H new ATOM 0 HB2 MET A 81 -6.247 -10.726 1.637 1.00 0.00 H new ATOM 0 HB3 MET A 81 -4.823 -10.500 0.640 1.00 0.00 H new ATOM 0 HG2 MET A 81 -5.475 -8.325 1.253 1.00 0.00 H new ATOM 0 HG3 MET A 81 -6.015 -8.496 -0.405 1.00 0.00 H new ATOM 0 HE1 MET A 81 -7.910 -7.211 3.170 1.00 0.00 H new ATOM 0 HE2 MET A 81 -6.472 -6.814 2.200 1.00 0.00 H new ATOM 0 HE3 MET A 81 -8.057 -6.133 1.762 1.00 0.00 H new ATOM 1288 N ALA A 82 -8.748 -10.464 -1.209 1.00 0.00 N ATOM 1289 CA ALA A 82 -10.206 -10.375 -1.174 1.00 0.00 C ATOM 1290 C ALA A 82 -10.808 -10.734 -2.529 1.00 0.00 C ATOM 1291 O ALA A 82 -10.774 -9.936 -3.466 1.00 0.00 O ATOM 1292 CB ALA A 82 -10.638 -8.977 -0.754 1.00 0.00 C ATOM 0 H ALA A 82 -8.312 -9.958 -1.980 1.00 0.00 H new ATOM 0 HA ALA A 82 -10.574 -11.092 -0.440 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -11.726 -8.924 -0.732 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -10.244 -8.757 0.238 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -10.254 -8.248 -1.467 1.00 0.00 H new ATOM 1298 N ASN A 83 -11.359 -11.941 -2.626 1.00 0.00 N ATOM 1299 CA ASN A 83 -11.966 -12.407 -3.868 1.00 0.00 C ATOM 1300 C ASN A 83 -13.476 -12.187 -3.855 1.00 0.00 C ATOM 1301 O ASN A 83 -14.199 -12.822 -3.087 1.00 0.00 O ATOM 1302 CB ASN A 83 -11.658 -13.890 -4.084 1.00 0.00 C ATOM 1303 CG ASN A 83 -11.643 -14.268 -5.552 1.00 0.00 C ATOM 1304 OD1 ASN A 83 -11.507 -13.411 -6.425 1.00 0.00 O ATOM 1305 ND2 ASN A 83 -11.784 -15.558 -5.832 1.00 0.00 N ATOM 0 H ASN A 83 -11.397 -12.613 -1.860 1.00 0.00 H new ATOM 0 HA ASN A 83 -11.541 -11.829 -4.689 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -10.691 -14.126 -3.641 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -12.402 -14.493 -3.564 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -11.782 -15.872 -6.802 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -11.894 -16.235 -5.077 1.00 0.00 H new ATOM 1312 N SER A 84 -13.944 -11.283 -4.711 1.00 0.00 N ATOM 1313 CA SER A 84 -15.368 -10.976 -4.803 1.00 0.00 C ATOM 1314 C SER A 84 -15.613 -9.829 -5.778 1.00 0.00 C ATOM 1315 O SER A 84 -16.607 -9.817 -6.504 1.00 0.00 O ATOM 1316 CB SER A 84 -15.930 -10.615 -3.426 1.00 0.00 C ATOM 1317 OG SER A 84 -14.938 -10.014 -2.612 1.00 0.00 O ATOM 0 H SER A 84 -13.357 -10.749 -5.352 1.00 0.00 H new ATOM 0 HA SER A 84 -15.880 -11.865 -5.173 1.00 0.00 H new ATOM 0 HB2 SER A 84 -16.773 -9.933 -3.541 1.00 0.00 H new ATOM 0 HB3 SER A 84 -16.310 -11.513 -2.938 1.00 0.00 H new ATOM 0 HG SER A 84 -15.064 -9.042 -2.607 1.00 0.00 H new ATOM 1323 N GLU A 85 -14.698 -8.865 -5.787 1.00 0.00 N ATOM 1324 CA GLU A 85 -14.808 -7.708 -6.668 1.00 0.00 C ATOM 1325 C GLU A 85 -13.451 -7.039 -6.846 1.00 0.00 C ATOM 1326 O GLU A 85 -12.525 -7.287 -6.074 1.00 0.00 O ATOM 1327 CB GLU A 85 -15.811 -6.702 -6.097 1.00 0.00 C ATOM 1328 CG GLU A 85 -15.340 -6.033 -4.813 1.00 0.00 C ATOM 1329 CD GLU A 85 -16.175 -6.426 -3.610 1.00 0.00 C ATOM 1330 OE1 GLU A 85 -16.493 -7.626 -3.474 1.00 0.00 O ATOM 1331 OE2 GLU A 85 -16.510 -5.533 -2.803 1.00 0.00 O ATOM 0 H GLU A 85 -13.870 -8.863 -5.192 1.00 0.00 H new ATOM 0 HA GLU A 85 -15.160 -8.051 -7.641 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -16.009 -5.934 -6.845 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -16.755 -7.212 -5.906 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -14.299 -6.299 -4.630 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -15.376 -4.951 -4.937 1.00 0.00 H new ATOM 1338 N SER A 86 -13.337 -6.181 -7.854 1.00 0.00 N ATOM 1339 CA SER A 86 -12.086 -5.479 -8.101 1.00 0.00 C ATOM 1340 C SER A 86 -11.864 -4.420 -7.030 1.00 0.00 C ATOM 1341 O SER A 86 -11.966 -3.223 -7.295 1.00 0.00 O ATOM 1342 CB SER A 86 -12.098 -4.833 -9.488 1.00 0.00 C ATOM 1343 OG SER A 86 -12.873 -5.595 -10.399 1.00 0.00 O ATOM 0 H SER A 86 -14.088 -5.957 -8.507 1.00 0.00 H new ATOM 0 HA SER A 86 -11.269 -6.199 -8.063 1.00 0.00 H new ATOM 0 HB2 SER A 86 -12.502 -3.823 -9.419 1.00 0.00 H new ATOM 0 HB3 SER A 86 -11.077 -4.744 -9.860 1.00 0.00 H new ATOM 0 HG SER A 86 -12.866 -5.160 -11.277 1.00 0.00 H new ATOM 1349 N LEU A 87 -11.569 -4.890 -5.815 1.00 0.00 N ATOM 1350 CA LEU A 87 -11.330 -4.028 -4.645 1.00 0.00 C ATOM 1351 C LEU A 87 -11.941 -2.645 -4.784 1.00 0.00 C ATOM 1352 O LEU A 87 -11.410 -1.793 -5.497 1.00 0.00 O ATOM 1353 CB LEU A 87 -9.832 -3.853 -4.363 1.00 0.00 C ATOM 1354 CG LEU A 87 -9.339 -4.378 -3.012 1.00 0.00 C ATOM 1355 CD1 LEU A 87 -9.441 -3.287 -1.958 1.00 0.00 C ATOM 1356 CD2 LEU A 87 -10.102 -5.619 -2.560 1.00 0.00 C ATOM 0 H LEU A 87 -11.488 -5.886 -5.610 1.00 0.00 H new ATOM 0 HA LEU A 87 -11.815 -4.546 -3.818 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -9.273 -4.356 -5.152 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -9.592 -2.792 -4.428 1.00 0.00 H new ATOM 0 HG LEU A 87 -8.296 -4.668 -3.138 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -9.088 -3.671 -1.001 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -8.829 -2.436 -2.255 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -10.480 -2.971 -1.861 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -9.716 -5.953 -1.597 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -11.161 -5.380 -2.463 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -9.975 -6.412 -3.297 1.00 0.00 H new ATOM 1368 N GLU A 88 -13.018 -2.398 -4.057 1.00 0.00 N ATOM 1369 CA GLU A 88 -13.622 -1.083 -4.082 1.00 0.00 C ATOM 1370 C GLU A 88 -12.697 -0.129 -3.343 1.00 0.00 C ATOM 1371 O GLU A 88 -12.702 -0.074 -2.113 1.00 0.00 O ATOM 1372 CB GLU A 88 -14.998 -1.108 -3.414 1.00 0.00 C ATOM 1373 CG GLU A 88 -15.741 0.215 -3.499 1.00 0.00 C ATOM 1374 CD GLU A 88 -16.622 0.467 -2.292 1.00 0.00 C ATOM 1375 OE1 GLU A 88 -17.067 -0.517 -1.665 1.00 0.00 O ATOM 1376 OE2 GLU A 88 -16.867 1.650 -1.972 1.00 0.00 O ATOM 0 H GLU A 88 -13.482 -3.078 -3.455 1.00 0.00 H new ATOM 0 HA GLU A 88 -13.760 -0.757 -5.113 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -15.604 -1.886 -3.879 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -14.878 -1.381 -2.366 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -15.020 1.027 -3.594 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -16.354 0.226 -4.400 1.00 0.00 H new ATOM 1383 N ILE A 89 -11.887 0.605 -4.094 1.00 0.00 N ATOM 1384 CA ILE A 89 -10.943 1.535 -3.492 1.00 0.00 C ATOM 1385 C ILE A 89 -10.986 2.890 -4.194 1.00 0.00 C ATOM 1386 O ILE A 89 -10.878 2.958 -5.418 1.00 0.00 O ATOM 1387 CB ILE A 89 -9.488 0.971 -3.509 1.00 0.00 C ATOM 1388 CG1 ILE A 89 -8.786 1.195 -4.862 1.00 0.00 C ATOM 1389 CG2 ILE A 89 -9.492 -0.509 -3.176 1.00 0.00 C ATOM 1390 CD1 ILE A 89 -9.165 0.184 -5.923 1.00 0.00 C ATOM 0 H ILE A 89 -11.865 0.575 -5.113 1.00 0.00 H new ATOM 0 HA ILE A 89 -11.243 1.668 -2.453 1.00 0.00 H new ATOM 0 HB ILE A 89 -8.928 1.519 -2.752 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -9.026 2.195 -5.224 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -7.707 1.161 -4.711 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -8.470 -0.888 -3.192 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -9.919 -0.658 -2.184 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -10.090 -1.046 -3.913 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -8.630 0.408 -6.846 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -8.899 -0.817 -5.583 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -10.239 0.232 -6.105 1.00 0.00 H new ATOM 1402 N ALA A 90 -11.128 3.974 -3.431 1.00 0.00 N ATOM 1403 CA ALA A 90 -11.149 5.293 -4.042 1.00 0.00 C ATOM 1404 C ALA A 90 -9.771 5.924 -3.949 1.00 0.00 C ATOM 1405 O ALA A 90 -9.306 6.279 -2.866 1.00 0.00 O ATOM 1406 CB ALA A 90 -12.189 6.197 -3.388 1.00 0.00 C ATOM 0 H ALA A 90 -11.227 3.963 -2.416 1.00 0.00 H new ATOM 0 HA ALA A 90 -11.425 5.177 -5.090 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -12.176 7.174 -3.870 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -13.178 5.752 -3.496 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -11.957 6.312 -2.329 1.00 0.00 H new ATOM 1412 N TRP A 91 -9.122 6.056 -5.094 1.00 0.00 N ATOM 1413 CA TRP A 91 -7.792 6.642 -5.154 1.00 0.00 C ATOM 1414 C TRP A 91 -7.871 8.141 -5.410 1.00 0.00 C ATOM 1415 O TRP A 91 -8.601 8.593 -6.292 1.00 0.00 O ATOM 1416 CB TRP A 91 -6.961 5.969 -6.246 1.00 0.00 C ATOM 1417 CG TRP A 91 -7.611 6.009 -7.596 1.00 0.00 C ATOM 1418 CD1 TRP A 91 -8.464 5.082 -8.123 1.00 0.00 C ATOM 1419 CD2 TRP A 91 -7.462 7.030 -8.589 1.00 0.00 C ATOM 1420 NE1 TRP A 91 -8.853 5.464 -9.384 1.00 0.00 N ATOM 1421 CE2 TRP A 91 -8.252 6.656 -9.692 1.00 0.00 C ATOM 1422 CE3 TRP A 91 -6.738 8.224 -8.652 1.00 0.00 C ATOM 1423 CZ2 TRP A 91 -8.337 7.434 -10.845 1.00 0.00 C ATOM 1424 CZ3 TRP A 91 -6.823 8.995 -9.797 1.00 0.00 C ATOM 1425 CH2 TRP A 91 -7.619 8.597 -10.879 1.00 0.00 C ATOM 0 H TRP A 91 -9.495 5.765 -5.997 1.00 0.00 H new ATOM 0 HA TRP A 91 -7.308 6.480 -4.191 1.00 0.00 H new ATOM 0 HB2 TRP A 91 -5.988 6.457 -6.305 1.00 0.00 H new ATOM 0 HB3 TRP A 91 -6.781 4.931 -5.968 1.00 0.00 H new ATOM 0 HD1 TRP A 91 -8.786 4.181 -7.622 1.00 0.00 H new ATOM 0 HE1 TRP A 91 -9.486 4.945 -9.992 1.00 0.00 H new ATOM 0 HE3 TRP A 91 -6.123 8.539 -7.822 1.00 0.00 H new ATOM 0 HZ2 TRP A 91 -8.948 7.129 -11.682 1.00 0.00 H new ATOM 0 HZ3 TRP A 91 -6.267 9.919 -9.858 1.00 0.00 H new ATOM 0 HH2 TRP A 91 -7.666 9.222 -11.758 1.00 0.00 H new ATOM 1436 N GLN A 92 -7.111 8.904 -4.636 1.00 0.00 N ATOM 1437 CA GLN A 92 -7.093 10.354 -4.781 1.00 0.00 C ATOM 1438 C GLN A 92 -6.028 10.778 -5.790 1.00 0.00 C ATOM 1439 O GLN A 92 -5.041 10.074 -5.996 1.00 0.00 O ATOM 1440 CB GLN A 92 -6.827 11.021 -3.429 1.00 0.00 C ATOM 1441 CG GLN A 92 -7.929 10.789 -2.410 1.00 0.00 C ATOM 1442 CD GLN A 92 -7.623 11.422 -1.066 1.00 0.00 C ATOM 1443 OE1 GLN A 92 -6.878 12.398 -0.982 1.00 0.00 O ATOM 1444 NE2 GLN A 92 -8.198 10.866 -0.005 1.00 0.00 N ATOM 0 H GLN A 92 -6.500 8.544 -3.903 1.00 0.00 H new ATOM 0 HA GLN A 92 -8.069 10.674 -5.147 1.00 0.00 H new ATOM 0 HB2 GLN A 92 -5.886 10.645 -3.027 1.00 0.00 H new ATOM 0 HB3 GLN A 92 -6.703 12.093 -3.580 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -8.865 11.195 -2.794 1.00 0.00 H new ATOM 0 HG3 GLN A 92 -8.077 9.717 -2.278 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -8.809 10.057 -0.121 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -8.029 11.248 0.926 1.00 0.00 H new ATOM 1453 N PRO A 93 -6.224 11.939 -6.441 1.00 0.00 N ATOM 1454 CA PRO A 93 -5.283 12.454 -7.441 1.00 0.00 C ATOM 1455 C PRO A 93 -3.837 12.420 -6.964 1.00 0.00 C ATOM 1456 O PRO A 93 -2.930 12.137 -7.746 1.00 0.00 O ATOM 1457 CB PRO A 93 -5.731 13.897 -7.631 1.00 0.00 C ATOM 1458 CG PRO A 93 -7.186 13.889 -7.314 1.00 0.00 C ATOM 1459 CD PRO A 93 -7.381 12.836 -6.256 1.00 0.00 C ATOM 0 HA PRO A 93 -5.297 11.854 -8.351 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -5.186 14.571 -6.970 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -5.550 14.236 -8.651 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -7.511 14.866 -6.956 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -7.776 13.662 -8.202 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -7.396 13.270 -5.256 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -8.324 12.306 -6.387 1.00 0.00 H new ATOM 1467 N ALA A 94 -3.635 12.726 -5.679 1.00 0.00 N ATOM 1468 CA ALA A 94 -2.300 12.748 -5.072 1.00 0.00 C ATOM 1469 C ALA A 94 -1.744 14.167 -5.035 1.00 0.00 C ATOM 1470 O ALA A 94 -0.535 14.372 -5.153 1.00 0.00 O ATOM 1471 CB ALA A 94 -1.329 11.827 -5.805 1.00 0.00 C ATOM 0 H ALA A 94 -4.387 12.964 -5.033 1.00 0.00 H new ATOM 0 HA ALA A 94 -2.407 12.382 -4.051 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -0.352 11.872 -5.324 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -1.703 10.804 -5.772 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -1.238 12.147 -6.843 1.00 0.00 H new ATOM 1477 N GLU A 95 -2.630 15.143 -4.873 1.00 0.00 N ATOM 1478 CA GLU A 95 -2.224 16.543 -4.821 1.00 0.00 C ATOM 1479 C GLU A 95 -3.330 17.410 -4.229 1.00 0.00 C ATOM 1480 O GLU A 95 -4.491 17.005 -4.179 1.00 0.00 O ATOM 1481 CB GLU A 95 -1.863 17.042 -6.221 1.00 0.00 C ATOM 1482 CG GLU A 95 -0.692 18.011 -6.238 1.00 0.00 C ATOM 1483 CD GLU A 95 -1.135 19.461 -6.198 1.00 0.00 C ATOM 1484 OE1 GLU A 95 -2.270 19.747 -6.631 1.00 0.00 O ATOM 1485 OE2 GLU A 95 -0.345 20.310 -5.734 1.00 0.00 O ATOM 0 H GLU A 95 -3.634 14.991 -4.775 1.00 0.00 H new ATOM 0 HA GLU A 95 -1.347 16.617 -4.178 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -1.625 16.186 -6.853 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -2.734 17.529 -6.660 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -0.045 17.809 -5.384 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -0.097 17.841 -7.136 1.00 0.00 H new ATOM 1492 N SER A 96 -2.961 18.604 -3.779 1.00 0.00 N ATOM 1493 CA SER A 96 -3.920 19.530 -3.189 1.00 0.00 C ATOM 1494 C SER A 96 -3.834 20.901 -3.853 1.00 0.00 C ATOM 1495 O SER A 96 -4.757 21.244 -4.622 1.00 0.00 O ATOM 1496 CB SER A 96 -3.675 19.663 -1.685 1.00 0.00 C ATOM 1497 OG SER A 96 -4.458 18.734 -0.956 1.00 0.00 O ATOM 1498 OXT SER A 96 -2.844 21.620 -3.597 1.00 0.00 O ATOM 0 H SER A 96 -2.003 18.954 -3.812 1.00 0.00 H new ATOM 0 HA SER A 96 -4.920 19.129 -3.353 1.00 0.00 H new ATOM 0 HB2 SER A 96 -2.619 19.501 -1.470 1.00 0.00 H new ATOM 0 HB3 SER A 96 -3.914 20.676 -1.363 1.00 0.00 H new ATOM 0 HG SER A 96 -4.282 18.838 0.002 1.00 0.00 H new TER 1504 SER A 96