USER MOD reduce.3.24.130724 H: found=0, std=0, add=781, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 781 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 52 THR OG1 : rot -110:sc= 1.07 USER MOD Set 1.2: A 54 LYS NZ :NH3+ -154:sc= -0.164! (180deg=-0.019) USER MOD Set 2.1: A 16 HIS : no HE2:sc= -12.7! C(o=-12!,f=-10!) USER MOD Set 2.2: A 38 THR OG1 : rot 155:sc= 1.04 USER MOD Set 3.1: A 23 GLN : amide:sc= -0.642 K(o=0.61,f=-6.5!) USER MOD Set 3.2: A 26 GLN : amide:sc= 0.547 K(o=0.61,f=-18!) USER MOD Set 3.3: A 30 LYS NZ :NH3+ 178:sc= 0.702! (180deg=0.191) USER MOD Single : A 1 SER N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 SER OG : rot 180:sc= -0.348 USER MOD Single : A 2 ASN : amide:sc= -0.107 X(o=-0.11,f=0) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0.0222 USER MOD Single : A 5 ASN : amide:sc= -1.16 K(o=-1.2,f=-5.8!) USER MOD Single : A 14 ASN : amide:sc= -4.39! C(o=-4.4!,f=-6.4!) USER MOD Single : A 20 THR OG1 : rot 180:sc= 0.0179 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 ASN : amide:sc= -0.51 X(o=-0.51,f=-0.67) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 ASN : amide:sc= -1.65! C(o=-1.7!,f=-8.3!) USER MOD Single : A 53 LYS NZ :NH3+ -163:sc= 0 (180deg=-0.13) USER MOD Single : A 56 HIS : no HE2:sc= -11.2! C(o=-11!,f=-7.8!) USER MOD Single : A 59 LYS NZ :NH3+ 148:sc= -1.19! (180deg=-1.96!) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 ASN : amide:sc= -2.67 K(o=-2.7,f=-5!) USER MOD Single : A 75 MET CE :methyl -161:sc= -0.299 (180deg=-0.952) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 SER OG : rot 180:sc= 0.171 USER MOD Single : A 81 LYS NZ :NH3+ -153:sc= 0.232 (180deg=-0.811) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 LYS NZ :NH3+ -127:sc= -0.311 (180deg=-0.856) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 16.627 1.616 -0.637 1.00 0.00 N ATOM 2 CA SER A 1 17.595 1.646 -1.778 1.00 0.00 C ATOM 3 C SER A 1 17.080 0.771 -2.936 1.00 0.00 C ATOM 4 O SER A 1 16.584 1.276 -3.926 1.00 0.00 O ATOM 5 CB SER A 1 18.918 1.106 -1.205 1.00 0.00 C ATOM 6 OG SER A 1 19.620 0.382 -2.211 1.00 0.00 O ATOM 0 H1 SER A 1 16.985 2.210 0.138 1.00 0.00 H new ATOM 0 H2 SER A 1 15.705 1.979 -0.954 1.00 0.00 H new ATOM 0 H3 SER A 1 16.517 0.638 -0.301 1.00 0.00 H new ATOM 0 HA SER A 1 17.725 2.648 -2.186 1.00 0.00 H new ATOM 0 HB2 SER A 1 19.532 1.931 -0.843 1.00 0.00 H new ATOM 0 HB3 SER A 1 18.718 0.459 -0.351 1.00 0.00 H new ATOM 0 HG SER A 1 20.462 0.042 -1.842 1.00 0.00 H new ATOM 14 N ASN A 2 17.199 -0.531 -2.824 1.00 0.00 N ATOM 15 CA ASN A 2 16.726 -1.429 -3.922 1.00 0.00 C ATOM 16 C ASN A 2 15.201 -1.583 -3.871 1.00 0.00 C ATOM 17 O ASN A 2 14.600 -1.537 -2.810 1.00 0.00 O ATOM 18 CB ASN A 2 17.417 -2.773 -3.672 1.00 0.00 C ATOM 19 CG ASN A 2 18.055 -3.274 -4.968 1.00 0.00 C ATOM 20 OD1 ASN A 2 17.786 -4.375 -5.399 1.00 0.00 O ATOM 21 ND2 ASN A 2 18.898 -2.514 -5.611 1.00 0.00 N ATOM 0 H ASN A 2 17.604 -1.009 -2.019 1.00 0.00 H new ATOM 0 HA ASN A 2 16.966 -1.030 -4.907 1.00 0.00 H new ATOM 0 HB2 ASN A 2 18.178 -2.663 -2.900 1.00 0.00 H new ATOM 0 HB3 ASN A 2 16.694 -3.502 -3.306 1.00 0.00 H new ATOM 0 HD21 ASN A 2 19.329 -2.846 -6.474 1.00 0.00 H new ATOM 0 HD22 ASN A 2 19.126 -1.587 -5.251 1.00 0.00 H new ATOM 28 N THR A 3 14.582 -1.753 -5.012 1.00 0.00 N ATOM 29 CA THR A 3 13.091 -1.894 -5.069 1.00 0.00 C ATOM 30 C THR A 3 12.648 -3.307 -4.662 1.00 0.00 C ATOM 31 O THR A 3 13.370 -4.269 -4.840 1.00 0.00 O ATOM 32 CB THR A 3 12.734 -1.619 -6.538 1.00 0.00 C ATOM 33 OG1 THR A 3 13.603 -0.620 -7.060 1.00 0.00 O ATOM 34 CG2 THR A 3 11.290 -1.132 -6.638 1.00 0.00 C ATOM 0 H THR A 3 15.050 -1.801 -5.917 1.00 0.00 H new ATOM 0 HA THR A 3 12.591 -1.212 -4.381 1.00 0.00 H new ATOM 0 HB THR A 3 12.846 -2.540 -7.111 1.00 0.00 H new ATOM 0 HG1 THR A 3 13.376 -0.446 -7.997 1.00 0.00 H new ATOM 0 HG21 THR A 3 11.043 -0.939 -7.682 1.00 0.00 H new ATOM 0 HG22 THR A 3 10.620 -1.895 -6.242 1.00 0.00 H new ATOM 0 HG23 THR A 3 11.175 -0.214 -6.062 1.00 0.00 H new ATOM 42 N ARG A 4 11.464 -3.436 -4.114 1.00 0.00 N ATOM 43 CA ARG A 4 10.965 -4.786 -3.691 1.00 0.00 C ATOM 44 C ARG A 4 9.766 -5.198 -4.554 1.00 0.00 C ATOM 45 O ARG A 4 8.884 -4.405 -4.813 1.00 0.00 O ATOM 46 CB ARG A 4 10.544 -4.617 -2.226 1.00 0.00 C ATOM 47 CG ARG A 4 11.718 -4.972 -1.305 1.00 0.00 C ATOM 48 CD ARG A 4 12.929 -4.101 -1.656 1.00 0.00 C ATOM 49 NE ARG A 4 13.691 -3.954 -0.385 1.00 0.00 N ATOM 50 CZ ARG A 4 14.990 -4.050 -0.390 1.00 0.00 C ATOM 51 NH1 ARG A 4 15.700 -3.152 -1.019 1.00 0.00 N ATOM 52 NH2 ARG A 4 15.572 -5.053 0.217 1.00 0.00 N ATOM 0 H ARG A 4 10.819 -2.665 -3.940 1.00 0.00 H new ATOM 0 HA ARG A 4 11.722 -5.562 -3.807 1.00 0.00 H new ATOM 0 HB2 ARG A 4 10.226 -3.590 -2.045 1.00 0.00 H new ATOM 0 HB3 ARG A 4 9.691 -5.259 -2.007 1.00 0.00 H new ATOM 0 HG2 ARG A 4 11.436 -4.817 -0.264 1.00 0.00 H new ATOM 0 HG3 ARG A 4 11.972 -6.026 -1.413 1.00 0.00 H new ATOM 0 HD2 ARG A 4 13.539 -4.569 -2.428 1.00 0.00 H new ATOM 0 HD3 ARG A 4 12.617 -3.130 -2.041 1.00 0.00 H new ATOM 0 HE ARG A 4 13.196 -3.778 0.489 1.00 0.00 H new ATOM 0 HH11 ARG A 4 15.237 -2.382 -1.502 1.00 0.00 H new ATOM 0 HH12 ARG A 4 16.718 -3.221 -1.027 1.00 0.00 H new ATOM 0 HH21 ARG A 4 15.008 -5.758 0.693 1.00 0.00 H new ATOM 0 HH22 ARG A 4 16.589 -5.130 0.214 1.00 0.00 H new ATOM 66 N ASN A 5 9.733 -6.431 -4.995 1.00 0.00 N ATOM 67 CA ASN A 5 8.595 -6.904 -5.851 1.00 0.00 C ATOM 68 C ASN A 5 7.359 -7.181 -4.991 1.00 0.00 C ATOM 69 O ASN A 5 7.469 -7.656 -3.877 1.00 0.00 O ATOM 70 CB ASN A 5 9.091 -8.204 -6.494 1.00 0.00 C ATOM 71 CG ASN A 5 8.568 -8.316 -7.930 1.00 0.00 C ATOM 72 OD1 ASN A 5 8.016 -7.377 -8.468 1.00 0.00 O ATOM 73 ND2 ASN A 5 8.716 -9.437 -8.579 1.00 0.00 N ATOM 0 H ASN A 5 10.446 -7.134 -4.800 1.00 0.00 H new ATOM 0 HA ASN A 5 8.309 -6.160 -6.594 1.00 0.00 H new ATOM 0 HB2 ASN A 5 10.181 -8.226 -6.493 1.00 0.00 H new ATOM 0 HB3 ASN A 5 8.754 -9.060 -5.909 1.00 0.00 H new ATOM 0 HD21 ASN A 5 8.369 -9.523 -9.534 1.00 0.00 H new ATOM 0 HD22 ASN A 5 9.179 -10.228 -8.131 1.00 0.00 H new ATOM 80 N PHE A 6 6.185 -6.889 -5.501 1.00 0.00 N ATOM 81 CA PHE A 6 4.937 -7.138 -4.713 1.00 0.00 C ATOM 82 C PHE A 6 3.811 -7.625 -5.639 1.00 0.00 C ATOM 83 O PHE A 6 3.641 -7.131 -6.740 1.00 0.00 O ATOM 84 CB PHE A 6 4.592 -5.787 -4.087 1.00 0.00 C ATOM 85 CG PHE A 6 5.475 -5.550 -2.880 1.00 0.00 C ATOM 86 CD1 PHE A 6 5.318 -6.337 -1.734 1.00 0.00 C ATOM 87 CD2 PHE A 6 6.445 -4.542 -2.904 1.00 0.00 C ATOM 88 CE1 PHE A 6 6.127 -6.118 -0.615 1.00 0.00 C ATOM 89 CE2 PHE A 6 7.252 -4.320 -1.783 1.00 0.00 C ATOM 90 CZ PHE A 6 7.094 -5.107 -0.638 1.00 0.00 C ATOM 0 H PHE A 6 6.038 -6.489 -6.428 1.00 0.00 H new ATOM 0 HA PHE A 6 5.068 -7.911 -3.955 1.00 0.00 H new ATOM 0 HB2 PHE A 6 4.733 -4.989 -4.816 1.00 0.00 H new ATOM 0 HB3 PHE A 6 3.543 -5.768 -3.793 1.00 0.00 H new ATOM 0 HD1 PHE A 6 4.570 -7.116 -1.714 1.00 0.00 H new ATOM 0 HD2 PHE A 6 6.571 -3.935 -3.788 1.00 0.00 H new ATOM 0 HE1 PHE A 6 6.006 -6.729 0.267 1.00 0.00 H new ATOM 0 HE2 PHE A 6 7.998 -3.540 -1.802 1.00 0.00 H new ATOM 0 HZ PHE A 6 7.717 -4.935 0.227 1.00 0.00 H new ATOM 100 N VAL A 7 3.062 -8.613 -5.207 1.00 0.00 N ATOM 101 CA VAL A 7 1.965 -9.173 -6.065 1.00 0.00 C ATOM 102 C VAL A 7 0.584 -9.022 -5.392 1.00 0.00 C ATOM 103 O VAL A 7 0.417 -9.325 -4.224 1.00 0.00 O ATOM 104 CB VAL A 7 2.336 -10.661 -6.228 1.00 0.00 C ATOM 105 CG1 VAL A 7 3.758 -10.778 -6.783 1.00 0.00 C ATOM 106 CG2 VAL A 7 2.282 -11.376 -4.867 1.00 0.00 C ATOM 0 H VAL A 7 3.163 -9.058 -4.295 1.00 0.00 H new ATOM 0 HA VAL A 7 1.884 -8.651 -7.018 1.00 0.00 H new ATOM 0 HB VAL A 7 1.624 -11.123 -6.912 1.00 0.00 H new ATOM 0 HG11 VAL A 7 4.018 -11.830 -6.897 1.00 0.00 H new ATOM 0 HG12 VAL A 7 3.812 -10.283 -7.753 1.00 0.00 H new ATOM 0 HG13 VAL A 7 4.457 -10.304 -6.094 1.00 0.00 H new ATOM 0 HG21 VAL A 7 2.546 -12.426 -4.997 1.00 0.00 H new ATOM 0 HG22 VAL A 7 2.987 -10.906 -4.181 1.00 0.00 H new ATOM 0 HG23 VAL A 7 1.274 -11.303 -4.458 1.00 0.00 H new ATOM 116 N LEU A 8 -0.407 -8.546 -6.121 1.00 0.00 N ATOM 117 CA LEU A 8 -1.782 -8.373 -5.522 1.00 0.00 C ATOM 118 C LEU A 8 -2.860 -8.206 -6.625 1.00 0.00 C ATOM 119 O LEU A 8 -2.550 -7.898 -7.764 1.00 0.00 O ATOM 120 CB LEU A 8 -1.693 -7.119 -4.631 1.00 0.00 C ATOM 121 CG LEU A 8 -0.811 -6.044 -5.288 1.00 0.00 C ATOM 122 CD1 LEU A 8 -1.375 -4.657 -4.984 1.00 0.00 C ATOM 123 CD2 LEU A 8 0.617 -6.136 -4.735 1.00 0.00 C ATOM 0 H LEU A 8 -0.325 -8.271 -7.100 1.00 0.00 H new ATOM 0 HA LEU A 8 -2.079 -9.250 -4.947 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -2.692 -6.720 -4.457 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -1.283 -7.387 -3.657 1.00 0.00 H new ATOM 0 HG LEU A 8 -0.798 -6.207 -6.366 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -0.747 -3.898 -5.451 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -2.389 -4.582 -5.378 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -1.392 -4.500 -3.906 1.00 0.00 H new ATOM 0 HD21 LEU A 8 1.238 -5.373 -5.203 1.00 0.00 H new ATOM 0 HD22 LEU A 8 0.600 -5.979 -3.656 1.00 0.00 H new ATOM 0 HD23 LEU A 8 1.028 -7.122 -4.952 1.00 0.00 H new ATOM 135 N ARG A 9 -4.129 -8.419 -6.292 1.00 0.00 N ATOM 136 CA ARG A 9 -5.226 -8.286 -7.326 1.00 0.00 C ATOM 137 C ARG A 9 -6.431 -7.430 -6.834 1.00 0.00 C ATOM 138 O ARG A 9 -7.181 -7.837 -5.981 1.00 0.00 O ATOM 139 CB ARG A 9 -5.681 -9.725 -7.591 1.00 0.00 C ATOM 140 CG ARG A 9 -5.096 -10.218 -8.917 1.00 0.00 C ATOM 141 CD ARG A 9 -6.163 -10.133 -10.017 1.00 0.00 C ATOM 142 NE ARG A 9 -5.744 -8.992 -10.881 1.00 0.00 N ATOM 143 CZ ARG A 9 -6.645 -8.212 -11.421 1.00 0.00 C ATOM 144 NH1 ARG A 9 -7.332 -7.395 -10.663 1.00 0.00 N ATOM 145 NH2 ARG A 9 -6.871 -8.274 -12.710 1.00 0.00 N ATOM 0 H ARG A 9 -4.447 -8.677 -5.358 1.00 0.00 H new ATOM 0 HA ARG A 9 -4.855 -7.773 -8.213 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -5.358 -10.374 -6.777 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -6.770 -9.772 -7.623 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -4.230 -9.615 -9.190 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -4.749 -11.246 -8.813 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -6.215 -11.060 -10.587 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -7.153 -9.963 -9.593 1.00 0.00 H new ATOM 0 HE ARG A 9 -4.753 -8.819 -11.051 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -7.163 -7.369 -9.657 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -8.036 -6.784 -11.078 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -6.345 -8.929 -13.289 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -7.573 -7.667 -13.135 1.00 0.00 H new ATOM 159 N ASP A 10 -6.600 -6.255 -7.402 1.00 0.00 N ATOM 160 CA ASP A 10 -7.715 -5.303 -7.064 1.00 0.00 C ATOM 161 C ASP A 10 -9.032 -5.789 -7.620 1.00 0.00 C ATOM 162 O ASP A 10 -9.231 -6.974 -7.809 1.00 0.00 O ATOM 163 CB ASP A 10 -7.378 -4.005 -7.785 1.00 0.00 C ATOM 164 CG ASP A 10 -7.685 -2.805 -6.900 1.00 0.00 C ATOM 165 OD1 ASP A 10 -7.150 -2.734 -5.816 1.00 0.00 O ATOM 166 OD2 ASP A 10 -8.414 -1.952 -7.343 1.00 0.00 O ATOM 0 H ASP A 10 -5.975 -5.900 -8.126 1.00 0.00 H new ATOM 0 HA ASP A 10 -7.806 -5.199 -5.983 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -6.324 -3.999 -8.061 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -7.950 -3.937 -8.710 1.00 0.00 H new ATOM 171 N GLU A 11 -9.956 -4.872 -7.827 1.00 0.00 N ATOM 172 CA GLU A 11 -11.301 -5.256 -8.321 1.00 0.00 C ATOM 173 C GLU A 11 -11.962 -5.961 -7.162 1.00 0.00 C ATOM 174 O GLU A 11 -12.480 -7.058 -7.250 1.00 0.00 O ATOM 175 CB GLU A 11 -11.115 -6.164 -9.554 1.00 0.00 C ATOM 176 CG GLU A 11 -10.994 -5.298 -10.817 1.00 0.00 C ATOM 177 CD GLU A 11 -9.643 -4.574 -10.830 1.00 0.00 C ATOM 178 OE1 GLU A 11 -8.643 -5.233 -11.085 1.00 0.00 O ATOM 179 OE2 GLU A 11 -9.629 -3.374 -10.585 1.00 0.00 O ATOM 0 H GLU A 11 -9.824 -3.873 -7.671 1.00 0.00 H new ATOM 0 HA GLU A 11 -11.921 -4.418 -8.638 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -10.222 -6.778 -9.435 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -11.961 -6.845 -9.647 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -11.090 -5.922 -11.706 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -11.806 -4.571 -10.848 1.00 0.00 H new ATOM 186 N ASP A 12 -11.912 -5.256 -6.056 1.00 0.00 N ATOM 187 CA ASP A 12 -12.485 -5.687 -4.782 1.00 0.00 C ATOM 188 C ASP A 12 -11.895 -6.999 -4.276 1.00 0.00 C ATOM 189 O ASP A 12 -12.392 -7.564 -3.323 1.00 0.00 O ATOM 190 CB ASP A 12 -13.934 -5.914 -5.096 1.00 0.00 C ATOM 191 CG ASP A 12 -14.690 -4.586 -5.286 1.00 0.00 C ATOM 192 OD1 ASP A 12 -14.253 -3.578 -4.750 1.00 0.00 O ATOM 193 OD2 ASP A 12 -15.708 -4.604 -5.959 1.00 0.00 O ATOM 0 H ASP A 12 -11.462 -4.342 -6.006 1.00 0.00 H new ATOM 0 HA ASP A 12 -12.291 -4.945 -4.007 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -14.020 -6.515 -6.001 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -14.396 -6.484 -4.290 1.00 0.00 H new ATOM 198 N GLY A 13 -10.870 -7.526 -4.891 1.00 0.00 N ATOM 199 CA GLY A 13 -10.335 -8.813 -4.376 1.00 0.00 C ATOM 200 C GLY A 13 -9.261 -8.525 -3.340 1.00 0.00 C ATOM 201 O GLY A 13 -9.483 -8.611 -2.149 1.00 0.00 O ATOM 0 H GLY A 13 -10.394 -7.134 -5.703 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -11.137 -9.403 -3.932 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -9.920 -9.402 -5.194 1.00 0.00 H new ATOM 205 N ASN A 14 -8.104 -8.173 -3.805 1.00 0.00 N ATOM 206 CA ASN A 14 -6.975 -7.838 -2.889 1.00 0.00 C ATOM 207 C ASN A 14 -6.564 -6.368 -3.080 1.00 0.00 C ATOM 208 O ASN A 14 -6.894 -5.494 -2.312 1.00 0.00 O ATOM 209 CB ASN A 14 -5.857 -8.782 -3.332 1.00 0.00 C ATOM 210 CG ASN A 14 -6.015 -10.136 -2.651 1.00 0.00 C ATOM 211 OD1 ASN A 14 -7.089 -10.509 -2.232 1.00 0.00 O ATOM 212 ND2 ASN A 14 -4.983 -10.904 -2.535 1.00 0.00 N ATOM 0 H ASN A 14 -7.883 -8.100 -4.798 1.00 0.00 H new ATOM 0 HA ASN A 14 -7.223 -7.955 -1.834 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -5.882 -8.906 -4.415 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -4.887 -8.352 -3.083 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -5.075 -11.819 -2.093 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -4.076 -10.596 -2.886 1.00 0.00 H new ATOM 219 N GLU A 15 -5.846 -6.130 -4.147 1.00 0.00 N ATOM 220 CA GLU A 15 -5.369 -4.770 -4.536 1.00 0.00 C ATOM 221 C GLU A 15 -4.624 -4.938 -5.847 1.00 0.00 C ATOM 222 O GLU A 15 -3.900 -5.892 -5.997 1.00 0.00 O ATOM 223 CB GLU A 15 -4.428 -4.304 -3.422 1.00 0.00 C ATOM 224 CG GLU A 15 -5.102 -3.208 -2.599 1.00 0.00 C ATOM 225 CD GLU A 15 -4.415 -3.101 -1.237 1.00 0.00 C ATOM 226 OE1 GLU A 15 -4.713 -3.911 -0.376 1.00 0.00 O ATOM 227 OE2 GLU A 15 -3.600 -2.208 -1.080 1.00 0.00 O ATOM 0 H GLU A 15 -5.558 -6.862 -4.796 1.00 0.00 H new ATOM 0 HA GLU A 15 -6.169 -4.040 -4.662 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -4.166 -5.145 -2.780 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -3.499 -3.929 -3.851 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -5.043 -2.255 -3.124 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -6.160 -3.435 -2.468 1.00 0.00 H new ATOM 234 N HIS A 16 -4.770 -4.082 -6.820 1.00 0.00 N ATOM 235 CA HIS A 16 -4.000 -4.384 -8.073 1.00 0.00 C ATOM 236 C HIS A 16 -2.619 -3.821 -8.036 1.00 0.00 C ATOM 237 O HIS A 16 -2.387 -2.646 -7.868 1.00 0.00 O ATOM 238 CB HIS A 16 -4.743 -3.970 -9.348 1.00 0.00 C ATOM 239 CG HIS A 16 -5.254 -2.543 -9.387 1.00 0.00 C ATOM 240 ND1 HIS A 16 -5.427 -1.896 -10.621 1.00 0.00 N ATOM 241 CD2 HIS A 16 -5.669 -1.628 -8.431 1.00 0.00 C ATOM 242 CE1 HIS A 16 -5.922 -0.670 -10.383 1.00 0.00 C ATOM 243 NE2 HIS A 16 -6.075 -0.482 -9.088 1.00 0.00 N ATOM 0 H HIS A 16 -5.346 -3.240 -6.817 1.00 0.00 H new ATOM 0 HA HIS A 16 -3.908 -5.470 -8.108 1.00 0.00 H new ATOM 0 HB2 HIS A 16 -4.077 -4.119 -10.198 1.00 0.00 H new ATOM 0 HB3 HIS A 16 -5.590 -4.642 -9.485 1.00 0.00 H new ATOM 0 HD1 HIS A 16 -5.214 -2.288 -11.538 1.00 0.00 H new ATOM 0 HD2 HIS A 16 -5.674 -1.784 -7.362 1.00 0.00 H new ATOM 0 HE1 HIS A 16 -6.160 0.058 -11.145 1.00 0.00 H new ATOM 252 N GLY A 17 -1.697 -4.700 -8.191 1.00 0.00 N ATOM 253 CA GLY A 17 -0.280 -4.295 -8.180 1.00 0.00 C ATOM 254 C GLY A 17 0.619 -5.469 -8.515 1.00 0.00 C ATOM 255 O GLY A 17 0.799 -6.375 -7.726 1.00 0.00 O ATOM 0 H GLY A 17 -1.862 -5.697 -8.327 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -0.121 -3.493 -8.900 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -0.018 -3.899 -7.199 1.00 0.00 H new ATOM 259 N VAL A 18 1.219 -5.436 -9.655 1.00 0.00 N ATOM 260 CA VAL A 18 2.164 -6.521 -10.025 1.00 0.00 C ATOM 261 C VAL A 18 3.453 -5.872 -10.527 1.00 0.00 C ATOM 262 O VAL A 18 3.685 -5.722 -11.713 1.00 0.00 O ATOM 263 CB VAL A 18 1.528 -7.320 -11.151 1.00 0.00 C ATOM 264 CG1 VAL A 18 1.372 -8.780 -10.721 1.00 0.00 C ATOM 265 CG2 VAL A 18 0.153 -6.756 -11.548 1.00 0.00 C ATOM 0 H VAL A 18 1.100 -4.704 -10.356 1.00 0.00 H new ATOM 0 HA VAL A 18 2.382 -7.171 -9.178 1.00 0.00 H new ATOM 0 HB VAL A 18 2.184 -7.250 -12.019 1.00 0.00 H new ATOM 0 HG11 VAL A 18 0.916 -9.351 -11.530 1.00 0.00 H new ATOM 0 HG12 VAL A 18 2.352 -9.198 -10.490 1.00 0.00 H new ATOM 0 HG13 VAL A 18 0.737 -8.833 -9.837 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -0.267 -7.356 -12.356 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -0.515 -6.787 -10.688 1.00 0.00 H new ATOM 0 HG23 VAL A 18 0.266 -5.725 -11.883 1.00 0.00 H new ATOM 275 N PHE A 19 4.274 -5.489 -9.611 1.00 0.00 N ATOM 276 CA PHE A 19 5.582 -4.827 -9.939 1.00 0.00 C ATOM 277 C PHE A 19 6.395 -4.595 -8.651 1.00 0.00 C ATOM 278 O PHE A 19 6.021 -5.041 -7.581 1.00 0.00 O ATOM 279 CB PHE A 19 5.287 -3.476 -10.647 1.00 0.00 C ATOM 280 CG PHE A 19 3.856 -2.998 -10.459 1.00 0.00 C ATOM 281 CD1 PHE A 19 3.241 -3.057 -9.204 1.00 0.00 C ATOM 282 CD2 PHE A 19 3.154 -2.473 -11.554 1.00 0.00 C ATOM 283 CE1 PHE A 19 1.930 -2.598 -9.044 1.00 0.00 C ATOM 284 CE2 PHE A 19 1.842 -2.010 -11.391 1.00 0.00 C ATOM 285 CZ PHE A 19 1.230 -2.074 -10.134 1.00 0.00 C ATOM 0 H PHE A 19 4.102 -5.604 -8.612 1.00 0.00 H new ATOM 0 HA PHE A 19 6.169 -5.466 -10.599 1.00 0.00 H new ATOM 0 HB2 PHE A 19 5.969 -2.717 -10.265 1.00 0.00 H new ATOM 0 HB3 PHE A 19 5.491 -3.580 -11.713 1.00 0.00 H new ATOM 0 HD1 PHE A 19 3.779 -3.458 -8.358 1.00 0.00 H new ATOM 0 HD2 PHE A 19 3.626 -2.426 -12.524 1.00 0.00 H new ATOM 0 HE1 PHE A 19 1.457 -2.649 -8.075 1.00 0.00 H new ATOM 0 HE2 PHE A 19 1.303 -1.604 -12.234 1.00 0.00 H new ATOM 0 HZ PHE A 19 0.218 -1.719 -10.007 1.00 0.00 H new ATOM 295 N THR A 20 7.509 -3.905 -8.754 1.00 0.00 N ATOM 296 CA THR A 20 8.361 -3.646 -7.546 1.00 0.00 C ATOM 297 C THR A 20 8.193 -2.205 -7.025 1.00 0.00 C ATOM 298 O THR A 20 8.061 -1.272 -7.796 1.00 0.00 O ATOM 299 CB THR A 20 9.804 -3.840 -8.039 1.00 0.00 C ATOM 300 OG1 THR A 20 10.050 -2.974 -9.145 1.00 0.00 O ATOM 301 CG2 THR A 20 10.021 -5.288 -8.481 1.00 0.00 C ATOM 0 H THR A 20 7.865 -3.509 -9.624 1.00 0.00 H new ATOM 0 HA THR A 20 8.088 -4.309 -6.725 1.00 0.00 H new ATOM 0 HB THR A 20 10.488 -3.606 -7.224 1.00 0.00 H new ATOM 0 HG1 THR A 20 10.971 -3.097 -9.458 1.00 0.00 H new ATOM 0 HG21 THR A 20 11.047 -5.413 -8.828 1.00 0.00 H new ATOM 0 HG22 THR A 20 9.839 -5.956 -7.640 1.00 0.00 H new ATOM 0 HG23 THR A 20 9.332 -5.528 -9.291 1.00 0.00 H new ATOM 309 N GLY A 21 8.248 -2.015 -5.724 1.00 0.00 N ATOM 310 CA GLY A 21 8.142 -0.632 -5.146 1.00 0.00 C ATOM 311 C GLY A 21 9.375 -0.376 -4.273 1.00 0.00 C ATOM 312 O GLY A 21 9.759 -1.214 -3.472 1.00 0.00 O ATOM 0 H GLY A 21 8.362 -2.760 -5.036 1.00 0.00 H new ATOM 0 HA2 GLY A 21 8.082 0.109 -5.944 1.00 0.00 H new ATOM 0 HA3 GLY A 21 7.232 -0.537 -4.554 1.00 0.00 H new ATOM 316 N LYS A 22 10.003 0.766 -4.416 1.00 0.00 N ATOM 317 CA LYS A 22 11.209 1.067 -3.577 1.00 0.00 C ATOM 318 C LYS A 22 10.773 1.196 -2.119 1.00 0.00 C ATOM 319 O LYS A 22 11.211 0.457 -1.258 1.00 0.00 O ATOM 320 CB LYS A 22 11.756 2.397 -4.100 1.00 0.00 C ATOM 321 CG LYS A 22 12.958 2.134 -5.010 1.00 0.00 C ATOM 322 CD LYS A 22 13.783 3.414 -5.142 1.00 0.00 C ATOM 323 CE LYS A 22 15.125 3.092 -5.809 1.00 0.00 C ATOM 324 NZ LYS A 22 15.198 3.992 -6.999 1.00 0.00 N ATOM 0 H LYS A 22 9.736 1.499 -5.073 1.00 0.00 H new ATOM 0 HA LYS A 22 11.968 0.287 -3.632 1.00 0.00 H new ATOM 0 HB2 LYS A 22 10.980 2.930 -4.650 1.00 0.00 H new ATOM 0 HB3 LYS A 22 12.051 3.034 -3.266 1.00 0.00 H new ATOM 0 HG2 LYS A 22 13.572 1.333 -4.598 1.00 0.00 H new ATOM 0 HG3 LYS A 22 12.620 1.803 -5.992 1.00 0.00 H new ATOM 0 HD2 LYS A 22 13.239 4.151 -5.733 1.00 0.00 H new ATOM 0 HD3 LYS A 22 13.950 3.854 -4.159 1.00 0.00 H new ATOM 0 HE2 LYS A 22 15.956 3.272 -5.128 1.00 0.00 H new ATOM 0 HE3 LYS A 22 15.176 2.044 -6.104 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 16.092 3.827 -7.505 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 14.399 3.793 -7.634 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 15.155 4.983 -6.688 1.00 0.00 H new ATOM 338 N GLN A 23 9.881 2.107 -1.849 1.00 0.00 N ATOM 339 CA GLN A 23 9.365 2.271 -0.466 1.00 0.00 C ATOM 340 C GLN A 23 7.915 1.781 -0.456 1.00 0.00 C ATOM 341 O GLN A 23 7.045 2.438 -0.989 1.00 0.00 O ATOM 342 CB GLN A 23 9.453 3.772 -0.164 1.00 0.00 C ATOM 343 CG GLN A 23 10.682 4.040 0.711 1.00 0.00 C ATOM 344 CD GLN A 23 11.375 5.320 0.247 1.00 0.00 C ATOM 345 OE1 GLN A 23 11.062 6.393 0.713 1.00 0.00 O ATOM 346 NE2 GLN A 23 12.315 5.254 -0.653 1.00 0.00 N ATOM 0 H GLN A 23 9.485 2.750 -2.535 1.00 0.00 H new ATOM 0 HA GLN A 23 9.923 1.708 0.282 1.00 0.00 H new ATOM 0 HB2 GLN A 23 9.523 4.338 -1.093 1.00 0.00 H new ATOM 0 HB3 GLN A 23 8.549 4.106 0.346 1.00 0.00 H new ATOM 0 HG2 GLN A 23 10.383 4.135 1.755 1.00 0.00 H new ATOM 0 HG3 GLN A 23 11.373 3.199 0.652 1.00 0.00 H new ATOM 0 HE21 GLN A 23 12.581 4.352 -1.047 1.00 0.00 H new ATOM 0 HE22 GLN A 23 12.785 6.105 -0.963 1.00 0.00 H new ATOM 355 N PRO A 24 7.707 0.621 0.123 1.00 0.00 N ATOM 356 CA PRO A 24 6.347 0.018 0.159 1.00 0.00 C ATOM 357 C PRO A 24 5.354 0.928 0.887 1.00 0.00 C ATOM 358 O PRO A 24 4.170 0.892 0.613 1.00 0.00 O ATOM 359 CB PRO A 24 6.567 -1.313 0.882 1.00 0.00 C ATOM 360 CG PRO A 24 7.820 -1.108 1.667 1.00 0.00 C ATOM 361 CD PRO A 24 8.690 -0.227 0.810 1.00 0.00 C ATOM 0 HA PRO A 24 5.909 -0.121 -0.829 1.00 0.00 H new ATOM 0 HB2 PRO A 24 5.726 -1.555 1.532 1.00 0.00 H new ATOM 0 HB3 PRO A 24 6.671 -2.136 0.175 1.00 0.00 H new ATOM 0 HG2 PRO A 24 7.609 -0.637 2.627 1.00 0.00 H new ATOM 0 HG3 PRO A 24 8.311 -2.058 1.879 1.00 0.00 H new ATOM 0 HD2 PRO A 24 9.385 0.362 1.408 1.00 0.00 H new ATOM 0 HD3 PRO A 24 9.287 -0.807 0.107 1.00 0.00 H new ATOM 369 N ARG A 25 5.817 1.753 1.790 1.00 0.00 N ATOM 370 CA ARG A 25 4.887 2.677 2.496 1.00 0.00 C ATOM 371 C ARG A 25 4.694 3.945 1.650 1.00 0.00 C ATOM 372 O ARG A 25 3.592 4.276 1.262 1.00 0.00 O ATOM 373 CB ARG A 25 5.554 2.993 3.838 1.00 0.00 C ATOM 374 CG ARG A 25 5.375 1.804 4.787 1.00 0.00 C ATOM 375 CD ARG A 25 5.586 2.262 6.234 1.00 0.00 C ATOM 376 NE ARG A 25 4.523 1.570 7.026 1.00 0.00 N ATOM 377 CZ ARG A 25 3.491 2.238 7.467 1.00 0.00 C ATOM 378 NH1 ARG A 25 3.648 3.446 7.942 1.00 0.00 N ATOM 379 NH2 ARG A 25 2.309 1.691 7.446 1.00 0.00 N ATOM 0 H ARG A 25 6.796 1.825 2.067 1.00 0.00 H new ATOM 0 HA ARG A 25 3.900 2.243 2.653 1.00 0.00 H new ATOM 0 HB2 ARG A 25 6.614 3.198 3.690 1.00 0.00 H new ATOM 0 HB3 ARG A 25 5.113 3.890 4.274 1.00 0.00 H new ATOM 0 HG2 ARG A 25 4.377 1.381 4.671 1.00 0.00 H new ATOM 0 HG3 ARG A 25 6.086 1.017 4.537 1.00 0.00 H new ATOM 0 HD2 ARG A 25 6.580 1.993 6.591 1.00 0.00 H new ATOM 0 HD3 ARG A 25 5.499 3.345 6.320 1.00 0.00 H new ATOM 0 HE ARG A 25 4.604 0.572 7.223 1.00 0.00 H new ATOM 0 HH11 ARG A 25 4.577 3.867 7.968 1.00 0.00 H new ATOM 0 HH12 ARG A 25 2.842 3.967 8.286 1.00 0.00 H new ATOM 0 HH21 ARG A 25 2.192 0.744 7.086 1.00 0.00 H new ATOM 0 HH22 ARG A 25 1.501 2.210 7.790 1.00 0.00 H new ATOM 393 N GLN A 26 5.758 4.653 1.345 1.00 0.00 N ATOM 394 CA GLN A 26 5.617 5.895 0.511 1.00 0.00 C ATOM 395 C GLN A 26 4.992 5.571 -0.842 1.00 0.00 C ATOM 396 O GLN A 26 4.126 6.288 -1.309 1.00 0.00 O ATOM 397 CB GLN A 26 7.038 6.447 0.319 1.00 0.00 C ATOM 398 CG GLN A 26 7.015 7.571 -0.731 1.00 0.00 C ATOM 399 CD GLN A 26 8.279 7.526 -1.594 1.00 0.00 C ATOM 400 OE1 GLN A 26 8.193 7.597 -2.806 1.00 0.00 O ATOM 401 NE2 GLN A 26 9.449 7.423 -1.034 1.00 0.00 N ATOM 0 H GLN A 26 6.710 4.428 1.634 1.00 0.00 H new ATOM 0 HA GLN A 26 4.967 6.621 0.999 1.00 0.00 H new ATOM 0 HB2 GLN A 26 7.423 6.827 1.265 1.00 0.00 H new ATOM 0 HB3 GLN A 26 7.709 5.650 -0.001 1.00 0.00 H new ATOM 0 HG2 GLN A 26 6.133 7.468 -1.363 1.00 0.00 H new ATOM 0 HG3 GLN A 26 6.941 8.539 -0.235 1.00 0.00 H new ATOM 0 HE21 GLN A 26 9.525 7.363 -0.019 1.00 0.00 H new ATOM 0 HE22 GLN A 26 10.290 7.402 -1.610 1.00 0.00 H new ATOM 410 N ALA A 27 5.409 4.515 -1.485 1.00 0.00 N ATOM 411 CA ALA A 27 4.807 4.190 -2.797 1.00 0.00 C ATOM 412 C ALA A 27 3.350 3.735 -2.603 1.00 0.00 C ATOM 413 O ALA A 27 2.573 3.739 -3.533 1.00 0.00 O ATOM 414 CB ALA A 27 5.682 3.073 -3.350 1.00 0.00 C ATOM 0 H ALA A 27 6.132 3.873 -1.159 1.00 0.00 H new ATOM 0 HA ALA A 27 4.771 5.040 -3.479 1.00 0.00 H new ATOM 0 HB1 ALA A 27 5.307 2.767 -4.327 1.00 0.00 H new ATOM 0 HB2 ALA A 27 6.707 3.429 -3.450 1.00 0.00 H new ATOM 0 HB3 ALA A 27 5.659 2.222 -2.670 1.00 0.00 H new ATOM 420 N ALA A 28 2.979 3.350 -1.400 1.00 0.00 N ATOM 421 CA ALA A 28 1.574 2.897 -1.143 1.00 0.00 C ATOM 422 C ALA A 28 0.557 3.996 -1.464 1.00 0.00 C ATOM 423 O ALA A 28 -0.313 3.804 -2.296 1.00 0.00 O ATOM 424 CB ALA A 28 1.516 2.544 0.347 1.00 0.00 C ATOM 0 H ALA A 28 3.592 3.331 -0.585 1.00 0.00 H new ATOM 0 HA ALA A 28 1.321 2.048 -1.778 1.00 0.00 H new ATOM 0 HB1 ALA A 28 0.512 2.204 0.602 1.00 0.00 H new ATOM 0 HB2 ALA A 28 2.233 1.751 0.561 1.00 0.00 H new ATOM 0 HB3 ALA A 28 1.762 3.425 0.940 1.00 0.00 H new ATOM 430 N LEU A 29 0.631 5.135 -0.809 1.00 0.00 N ATOM 431 CA LEU A 29 -0.374 6.207 -1.103 1.00 0.00 C ATOM 432 C LEU A 29 -0.235 6.691 -2.548 1.00 0.00 C ATOM 433 O LEU A 29 -1.211 6.866 -3.241 1.00 0.00 O ATOM 434 CB LEU A 29 -0.128 7.348 -0.096 1.00 0.00 C ATOM 435 CG LEU A 29 1.305 7.882 -0.187 1.00 0.00 C ATOM 436 CD1 LEU A 29 1.293 9.215 -0.934 1.00 0.00 C ATOM 437 CD2 LEU A 29 1.855 8.101 1.224 1.00 0.00 C ATOM 0 H LEU A 29 1.328 5.364 -0.100 1.00 0.00 H new ATOM 0 HA LEU A 29 -1.391 5.830 -0.998 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -0.832 8.159 -0.285 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -0.320 6.989 0.915 1.00 0.00 H new ATOM 0 HG LEU A 29 1.933 7.165 -0.717 1.00 0.00 H new ATOM 0 HD11 LEU A 29 2.309 9.602 -1.003 1.00 0.00 H new ATOM 0 HD12 LEU A 29 0.892 9.067 -1.937 1.00 0.00 H new ATOM 0 HD13 LEU A 29 0.669 9.928 -0.396 1.00 0.00 H new ATOM 0 HD21 LEU A 29 2.875 8.481 1.162 1.00 0.00 H new ATOM 0 HD22 LEU A 29 1.230 8.823 1.750 1.00 0.00 H new ATOM 0 HD23 LEU A 29 1.852 7.155 1.766 1.00 0.00 H new ATOM 449 N LYS A 30 0.959 6.910 -3.013 1.00 0.00 N ATOM 450 CA LYS A 30 1.118 7.392 -4.433 1.00 0.00 C ATOM 451 C LYS A 30 0.678 6.325 -5.476 1.00 0.00 C ATOM 452 O LYS A 30 0.024 6.640 -6.466 1.00 0.00 O ATOM 453 CB LYS A 30 2.610 7.700 -4.584 1.00 0.00 C ATOM 454 CG LYS A 30 2.915 9.059 -3.948 1.00 0.00 C ATOM 455 CD LYS A 30 4.342 9.482 -4.300 1.00 0.00 C ATOM 456 CE LYS A 30 5.337 8.647 -3.487 1.00 0.00 C ATOM 457 NZ LYS A 30 6.639 8.784 -4.202 1.00 0.00 N ATOM 0 H LYS A 30 1.826 6.782 -2.491 1.00 0.00 H new ATOM 0 HA LYS A 30 0.485 8.260 -4.619 1.00 0.00 H new ATOM 0 HB2 LYS A 30 3.204 6.921 -4.106 1.00 0.00 H new ATOM 0 HB3 LYS A 30 2.886 7.709 -5.638 1.00 0.00 H new ATOM 0 HG2 LYS A 30 2.205 9.806 -4.304 1.00 0.00 H new ATOM 0 HG3 LYS A 30 2.799 9.000 -2.866 1.00 0.00 H new ATOM 0 HD2 LYS A 30 4.521 9.344 -5.366 1.00 0.00 H new ATOM 0 HD3 LYS A 30 4.481 10.542 -4.088 1.00 0.00 H new ATOM 0 HE2 LYS A 30 5.411 9.010 -2.462 1.00 0.00 H new ATOM 0 HE3 LYS A 30 5.025 7.604 -3.434 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 7.376 8.266 -3.683 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 6.551 8.393 -5.162 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 6.899 9.789 -4.261 1.00 0.00 H new ATOM 471 N ALA A 31 1.055 5.083 -5.284 1.00 0.00 N ATOM 472 CA ALA A 31 0.699 4.017 -6.285 1.00 0.00 C ATOM 473 C ALA A 31 -0.808 3.784 -6.394 1.00 0.00 C ATOM 474 O ALA A 31 -1.338 3.685 -7.488 1.00 0.00 O ATOM 475 CB ALA A 31 1.393 2.746 -5.797 1.00 0.00 C ATOM 0 H ALA A 31 1.593 4.758 -4.480 1.00 0.00 H new ATOM 0 HA ALA A 31 1.021 4.318 -7.282 1.00 0.00 H new ATOM 0 HB1 ALA A 31 1.175 1.927 -6.482 1.00 0.00 H new ATOM 0 HB2 ALA A 31 2.470 2.911 -5.759 1.00 0.00 H new ATOM 0 HB3 ALA A 31 1.030 2.492 -4.801 1.00 0.00 H new ATOM 481 N ALA A 32 -1.511 3.688 -5.295 1.00 0.00 N ATOM 482 CA ALA A 32 -2.987 3.456 -5.401 1.00 0.00 C ATOM 483 C ALA A 32 -3.610 4.550 -6.231 1.00 0.00 C ATOM 484 O ALA A 32 -4.499 4.297 -7.017 1.00 0.00 O ATOM 485 CB ALA A 32 -3.538 3.506 -3.994 1.00 0.00 C ATOM 0 H ALA A 32 -1.140 3.758 -4.348 1.00 0.00 H new ATOM 0 HA ALA A 32 -3.205 2.498 -5.874 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -4.615 3.342 -4.019 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -3.066 2.730 -3.391 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -3.330 4.482 -3.556 1.00 0.00 H new ATOM 491 N ASN A 33 -3.118 5.761 -6.075 1.00 0.00 N ATOM 492 CA ASN A 33 -3.655 6.902 -6.872 1.00 0.00 C ATOM 493 C ASN A 33 -3.860 6.441 -8.303 1.00 0.00 C ATOM 494 O ASN A 33 -4.896 6.672 -8.903 1.00 0.00 O ATOM 495 CB ASN A 33 -2.581 7.995 -6.809 1.00 0.00 C ATOM 496 CG ASN A 33 -3.246 9.373 -6.791 1.00 0.00 C ATOM 497 OD1 ASN A 33 -4.220 9.600 -7.478 1.00 0.00 O ATOM 498 ND2 ASN A 33 -2.759 10.311 -6.031 1.00 0.00 N ATOM 0 H ASN A 33 -2.367 6.002 -5.428 1.00 0.00 H new ATOM 0 HA ASN A 33 -4.609 7.269 -6.493 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -1.968 7.865 -5.917 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -1.915 7.913 -7.668 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -3.196 11.232 -6.015 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -1.940 10.124 -5.452 1.00 0.00 H new ATOM 505 N ARG A 34 -2.874 5.779 -8.853 1.00 0.00 N ATOM 506 CA ARG A 34 -3.026 5.284 -10.245 1.00 0.00 C ATOM 507 C ARG A 34 -3.517 3.817 -10.303 1.00 0.00 C ATOM 508 O ARG A 34 -4.630 3.550 -10.711 1.00 0.00 O ATOM 509 CB ARG A 34 -1.630 5.418 -10.872 1.00 0.00 C ATOM 510 CG ARG A 34 -1.652 6.510 -11.948 1.00 0.00 C ATOM 511 CD ARG A 34 -0.374 7.350 -11.859 1.00 0.00 C ATOM 512 NE ARG A 34 -0.843 8.761 -11.730 1.00 0.00 N ATOM 513 CZ ARG A 34 -0.634 9.610 -12.699 1.00 0.00 C ATOM 514 NH1 ARG A 34 0.520 10.216 -12.792 1.00 0.00 N ATOM 515 NH2 ARG A 34 -1.579 9.844 -13.571 1.00 0.00 N ATOM 0 H ARG A 34 -1.984 5.564 -8.403 1.00 0.00 H new ATOM 0 HA ARG A 34 -3.782 5.858 -10.781 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -0.897 5.665 -10.104 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -1.324 4.468 -11.310 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -1.733 6.058 -12.937 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -2.527 7.147 -11.816 1.00 0.00 H new ATOM 0 HD2 ARG A 34 0.232 7.056 -11.002 1.00 0.00 H new ATOM 0 HD3 ARG A 34 0.245 7.220 -12.746 1.00 0.00 H new ATOM 0 HE ARG A 34 -1.327 9.062 -10.884 1.00 0.00 H new ATOM 0 HH11 ARG A 34 1.253 10.025 -12.109 1.00 0.00 H new ATOM 0 HH12 ARG A 34 0.688 10.880 -13.548 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -2.476 9.364 -13.493 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -1.420 10.507 -14.330 1.00 0.00 H new ATOM 529 N GLY A 35 -2.662 2.865 -9.984 1.00 0.00 N ATOM 530 CA GLY A 35 -3.045 1.418 -10.113 1.00 0.00 C ATOM 531 C GLY A 35 -3.086 0.583 -8.821 1.00 0.00 C ATOM 532 O GLY A 35 -3.303 -0.598 -8.924 1.00 0.00 O ATOM 0 H GLY A 35 -1.716 3.030 -9.640 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -4.030 1.369 -10.578 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -2.344 0.943 -10.800 1.00 0.00 H new ATOM 536 N SER A 36 -2.836 1.086 -7.643 1.00 0.00 N ATOM 537 CA SER A 36 -2.840 0.144 -6.463 1.00 0.00 C ATOM 538 C SER A 36 -4.248 -0.044 -5.921 1.00 0.00 C ATOM 539 O SER A 36 -4.473 -0.805 -4.999 1.00 0.00 O ATOM 540 CB SER A 36 -1.916 0.751 -5.403 1.00 0.00 C ATOM 541 OG SER A 36 -1.195 -0.291 -4.753 1.00 0.00 O ATOM 0 H SER A 36 -2.636 2.065 -7.439 1.00 0.00 H new ATOM 0 HA SER A 36 -2.487 -0.844 -6.757 1.00 0.00 H new ATOM 0 HB2 SER A 36 -1.223 1.453 -5.867 1.00 0.00 H new ATOM 0 HB3 SER A 36 -2.500 1.314 -4.675 1.00 0.00 H new ATOM 0 HG SER A 36 -0.602 0.095 -4.075 1.00 0.00 H new ATOM 547 N GLY A 37 -5.188 0.675 -6.458 1.00 0.00 N ATOM 548 CA GLY A 37 -6.574 0.582 -5.952 1.00 0.00 C ATOM 549 C GLY A 37 -7.537 1.223 -6.951 1.00 0.00 C ATOM 550 O GLY A 37 -7.399 2.387 -7.270 1.00 0.00 O ATOM 0 H GLY A 37 -5.052 1.327 -7.231 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -6.843 -0.462 -5.793 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -6.652 1.082 -4.986 1.00 0.00 H new ATOM 554 N THR A 38 -8.505 0.500 -7.474 1.00 0.00 N ATOM 555 CA THR A 38 -9.420 1.141 -8.451 1.00 0.00 C ATOM 556 C THR A 38 -10.443 2.015 -7.722 1.00 0.00 C ATOM 557 O THR A 38 -11.137 2.812 -8.327 1.00 0.00 O ATOM 558 CB THR A 38 -10.090 -0.014 -9.208 1.00 0.00 C ATOM 559 OG1 THR A 38 -9.110 -0.678 -9.997 1.00 0.00 O ATOM 560 CG2 THR A 38 -11.193 0.526 -10.124 1.00 0.00 C ATOM 0 H THR A 38 -8.691 -0.481 -7.267 1.00 0.00 H new ATOM 0 HA THR A 38 -8.894 1.801 -9.141 1.00 0.00 H new ATOM 0 HB THR A 38 -10.531 -0.707 -8.492 1.00 0.00 H new ATOM 0 HG1 THR A 38 -9.391 -1.603 -10.157 1.00 0.00 H new ATOM 0 HG21 THR A 38 -11.662 -0.302 -10.656 1.00 0.00 H new ATOM 0 HG22 THR A 38 -11.943 1.043 -9.525 1.00 0.00 H new ATOM 0 HG23 THR A 38 -10.761 1.221 -10.843 1.00 0.00 H new ATOM 568 N LYS A 39 -10.559 1.836 -6.428 1.00 0.00 N ATOM 569 CA LYS A 39 -11.539 2.597 -5.598 1.00 0.00 C ATOM 570 C LYS A 39 -12.936 2.080 -5.918 1.00 0.00 C ATOM 571 O LYS A 39 -13.639 1.590 -5.057 1.00 0.00 O ATOM 572 CB LYS A 39 -11.412 4.088 -5.936 1.00 0.00 C ATOM 573 CG LYS A 39 -12.462 4.874 -5.134 1.00 0.00 C ATOM 574 CD LYS A 39 -13.723 5.079 -5.981 1.00 0.00 C ATOM 575 CE LYS A 39 -14.944 4.539 -5.224 1.00 0.00 C ATOM 576 NZ LYS A 39 -16.125 4.924 -6.053 1.00 0.00 N ATOM 0 H LYS A 39 -9.995 1.171 -5.899 1.00 0.00 H new ATOM 0 HA LYS A 39 -11.347 2.464 -4.533 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -10.410 4.445 -5.696 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -11.559 4.246 -7.004 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -12.712 4.335 -4.220 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -12.055 5.839 -4.834 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -13.858 6.138 -6.201 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -13.619 4.566 -6.937 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -14.885 3.457 -5.103 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -15.008 4.969 -4.224 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -16.996 4.586 -5.595 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -16.161 5.959 -6.146 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -16.042 4.495 -6.997 1.00 0.00 H new ATOM 590 N ALA A 40 -13.315 2.125 -7.170 1.00 0.00 N ATOM 591 CA ALA A 40 -14.629 1.558 -7.565 1.00 0.00 C ATOM 592 C ALA A 40 -14.521 0.034 -7.432 1.00 0.00 C ATOM 593 O ALA A 40 -15.510 -0.668 -7.348 1.00 0.00 O ATOM 594 CB ALA A 40 -14.836 1.970 -9.025 1.00 0.00 C ATOM 0 H ALA A 40 -12.769 2.530 -7.931 1.00 0.00 H new ATOM 0 HA ALA A 40 -15.462 1.906 -6.955 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -15.791 1.583 -9.381 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -14.835 3.057 -9.100 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -14.030 1.564 -9.636 1.00 0.00 H new ATOM 600 N ASN A 41 -13.303 -0.473 -7.399 1.00 0.00 N ATOM 601 CA ASN A 41 -13.089 -1.935 -7.252 1.00 0.00 C ATOM 602 C ASN A 41 -11.689 -2.206 -6.672 1.00 0.00 C ATOM 603 O ASN A 41 -10.855 -2.736 -7.351 1.00 0.00 O ATOM 604 CB ASN A 41 -13.122 -2.427 -8.698 1.00 0.00 C ATOM 605 CG ASN A 41 -14.178 -3.523 -8.869 1.00 0.00 C ATOM 606 OD1 ASN A 41 -13.893 -4.583 -9.385 1.00 0.00 O ATOM 607 ND2 ASN A 41 -15.399 -3.305 -8.465 1.00 0.00 N ATOM 0 H ASN A 41 -12.448 0.079 -7.469 1.00 0.00 H new ATOM 0 HA ASN A 41 -13.818 -2.412 -6.597 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -13.342 -1.595 -9.366 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -12.142 -2.811 -8.980 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -16.112 -4.025 -8.583 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -15.641 -2.414 -8.031 1.00 0.00 H new ATOM 614 N PRO A 42 -11.472 -1.838 -5.440 1.00 0.00 N ATOM 615 CA PRO A 42 -10.174 -2.060 -4.763 1.00 0.00 C ATOM 616 C PRO A 42 -10.344 -2.952 -3.517 1.00 0.00 C ATOM 617 O PRO A 42 -11.433 -3.398 -3.224 1.00 0.00 O ATOM 618 CB PRO A 42 -9.922 -0.668 -4.269 1.00 0.00 C ATOM 619 CG PRO A 42 -11.325 -0.090 -4.046 1.00 0.00 C ATOM 620 CD PRO A 42 -12.329 -1.100 -4.561 1.00 0.00 C ATOM 0 HA PRO A 42 -9.415 -2.524 -5.394 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -9.341 -0.671 -3.347 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -9.361 -0.082 -4.997 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -11.492 0.109 -2.987 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -11.435 0.859 -4.570 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -12.751 -1.717 -3.768 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -13.166 -0.634 -5.081 1.00 0.00 H new ATOM 628 N ASP A 43 -9.305 -3.156 -2.728 1.00 0.00 N ATOM 629 CA ASP A 43 -9.509 -3.968 -1.471 1.00 0.00 C ATOM 630 C ASP A 43 -8.335 -3.814 -0.490 1.00 0.00 C ATOM 631 O ASP A 43 -7.499 -2.941 -0.633 1.00 0.00 O ATOM 632 CB ASP A 43 -9.710 -5.431 -1.898 1.00 0.00 C ATOM 633 CG ASP A 43 -10.563 -6.149 -0.837 1.00 0.00 C ATOM 634 OD1 ASP A 43 -9.996 -6.576 0.159 1.00 0.00 O ATOM 635 OD2 ASP A 43 -11.764 -6.233 -1.019 1.00 0.00 O ATOM 0 H ASP A 43 -8.359 -2.811 -2.889 1.00 0.00 H new ATOM 0 HA ASP A 43 -10.386 -3.609 -0.932 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -10.202 -5.476 -2.870 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -8.746 -5.928 -2.005 1.00 0.00 H new ATOM 640 N ILE A 44 -8.298 -4.645 0.525 1.00 0.00 N ATOM 641 CA ILE A 44 -7.217 -4.576 1.553 1.00 0.00 C ATOM 642 C ILE A 44 -6.611 -5.967 1.762 1.00 0.00 C ATOM 643 O ILE A 44 -7.297 -6.896 2.156 1.00 0.00 O ATOM 644 CB ILE A 44 -7.894 -4.080 2.859 1.00 0.00 C ATOM 645 CG1 ILE A 44 -7.277 -4.777 4.089 1.00 0.00 C ATOM 646 CG2 ILE A 44 -9.398 -4.384 2.845 1.00 0.00 C ATOM 647 CD1 ILE A 44 -5.756 -4.598 4.109 1.00 0.00 C ATOM 0 H ILE A 44 -8.986 -5.381 0.685 1.00 0.00 H new ATOM 0 HA ILE A 44 -6.412 -3.907 1.248 1.00 0.00 H new ATOM 0 HB ILE A 44 -7.734 -3.003 2.918 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -7.708 -4.364 5.001 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -7.523 -5.839 4.072 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -9.850 -4.027 3.770 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -9.863 -3.882 1.997 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -9.551 -5.460 2.758 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -5.342 -5.098 4.985 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -5.327 -5.033 3.207 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -5.515 -3.536 4.150 1.00 0.00 H new ATOM 659 N ILE A 45 -5.333 -6.113 1.535 1.00 0.00 N ATOM 660 CA ILE A 45 -4.677 -7.438 1.751 1.00 0.00 C ATOM 661 C ILE A 45 -3.177 -7.247 1.956 1.00 0.00 C ATOM 662 O ILE A 45 -2.660 -6.141 1.936 1.00 0.00 O ATOM 663 CB ILE A 45 -4.914 -8.268 0.475 1.00 0.00 C ATOM 664 CG1 ILE A 45 -4.335 -7.528 -0.736 1.00 0.00 C ATOM 665 CG2 ILE A 45 -6.408 -8.520 0.265 1.00 0.00 C ATOM 666 CD1 ILE A 45 -3.167 -8.336 -1.310 1.00 0.00 C ATOM 0 H ILE A 45 -4.713 -5.372 1.209 1.00 0.00 H new ATOM 0 HA ILE A 45 -5.086 -7.934 2.631 1.00 0.00 H new ATOM 0 HB ILE A 45 -4.414 -9.230 0.586 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -5.105 -7.390 -1.495 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -3.996 -6.535 -0.442 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -6.554 -9.108 -0.641 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -6.809 -9.065 1.120 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -6.927 -7.567 0.167 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -2.752 -7.813 -2.172 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -2.395 -8.451 -0.549 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -3.522 -9.319 -1.618 1.00 0.00 H new ATOM 678 N ARG A 46 -2.465 -8.321 2.116 1.00 0.00 N ATOM 679 CA ARG A 46 -0.996 -8.214 2.278 1.00 0.00 C ATOM 680 C ARG A 46 -0.349 -8.313 0.897 1.00 0.00 C ATOM 681 O ARG A 46 -0.180 -9.395 0.359 1.00 0.00 O ATOM 682 CB ARG A 46 -0.593 -9.392 3.169 1.00 0.00 C ATOM 683 CG ARG A 46 -1.210 -9.210 4.557 1.00 0.00 C ATOM 684 CD ARG A 46 -0.336 -9.904 5.607 1.00 0.00 C ATOM 685 NE ARG A 46 0.159 -8.807 6.490 1.00 0.00 N ATOM 686 CZ ARG A 46 -0.458 -8.541 7.608 1.00 0.00 C ATOM 687 NH1 ARG A 46 -1.682 -8.087 7.586 1.00 0.00 N ATOM 688 NH2 ARG A 46 0.151 -8.743 8.740 1.00 0.00 N ATOM 0 H ARG A 46 -2.838 -9.270 2.142 1.00 0.00 H new ATOM 0 HA ARG A 46 -0.679 -7.272 2.726 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -0.932 -10.329 2.728 1.00 0.00 H new ATOM 0 HB3 ARG A 46 0.493 -9.450 3.246 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -1.300 -8.149 4.789 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -2.217 -9.627 4.575 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -0.909 -10.638 6.174 1.00 0.00 H new ATOM 0 HD3 ARG A 46 0.492 -10.438 5.140 1.00 0.00 H new ATOM 0 HE ARG A 46 0.980 -8.265 6.219 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -2.156 -7.940 6.695 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -2.165 -7.879 8.460 1.00 0.00 H new ATOM 0 HH21 ARG A 46 1.104 -9.107 8.749 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -0.324 -8.538 9.619 1.00 0.00 H new ATOM 702 N LEU A 47 0.021 -7.191 0.330 1.00 0.00 N ATOM 703 CA LEU A 47 0.673 -7.194 -1.014 1.00 0.00 C ATOM 704 C LEU A 47 2.052 -7.803 -0.818 1.00 0.00 C ATOM 705 O LEU A 47 2.982 -7.129 -0.422 1.00 0.00 O ATOM 706 CB LEU A 47 0.800 -5.709 -1.405 1.00 0.00 C ATOM 707 CG LEU A 47 -0.515 -5.167 -1.992 1.00 0.00 C ATOM 708 CD1 LEU A 47 -1.677 -5.409 -1.027 1.00 0.00 C ATOM 709 CD2 LEU A 47 -0.379 -3.659 -2.231 1.00 0.00 C ATOM 0 H LEU A 47 -0.102 -6.267 0.745 1.00 0.00 H new ATOM 0 HA LEU A 47 0.128 -7.750 -1.777 1.00 0.00 H new ATOM 0 HB2 LEU A 47 1.077 -5.123 -0.529 1.00 0.00 H new ATOM 0 HB3 LEU A 47 1.601 -5.591 -2.134 1.00 0.00 H new ATOM 0 HG LEU A 47 -0.716 -5.685 -2.930 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -2.598 -5.018 -1.461 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -1.785 -6.479 -0.849 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -1.477 -4.902 -0.083 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -1.309 -3.271 -2.647 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -0.168 -3.158 -1.286 1.00 0.00 H new ATOM 0 HD23 LEU A 47 0.436 -3.474 -2.930 1.00 0.00 H new ATOM 721 N ARG A 48 2.175 -9.085 -1.014 1.00 0.00 N ATOM 722 CA ARG A 48 3.481 -9.751 -0.748 1.00 0.00 C ATOM 723 C ARG A 48 4.155 -10.285 -2.022 1.00 0.00 C ATOM 724 O ARG A 48 3.792 -9.927 -3.124 1.00 0.00 O ATOM 725 CB ARG A 48 3.150 -10.893 0.226 1.00 0.00 C ATOM 726 CG ARG A 48 2.267 -11.944 -0.461 1.00 0.00 C ATOM 727 CD ARG A 48 2.496 -13.317 0.186 1.00 0.00 C ATOM 728 NE ARG A 48 2.156 -13.140 1.631 1.00 0.00 N ATOM 729 CZ ARG A 48 0.982 -13.497 2.081 1.00 0.00 C ATOM 730 NH1 ARG A 48 -0.028 -12.674 1.973 1.00 0.00 N ATOM 731 NH2 ARG A 48 0.820 -14.679 2.620 1.00 0.00 N ATOM 0 H ARG A 48 1.431 -9.699 -1.346 1.00 0.00 H new ATOM 0 HA ARG A 48 4.200 -9.043 -0.337 1.00 0.00 H new ATOM 0 HB2 ARG A 48 4.071 -11.357 0.579 1.00 0.00 H new ATOM 0 HB3 ARG A 48 2.638 -10.495 1.102 1.00 0.00 H new ATOM 0 HG2 ARG A 48 1.217 -11.662 -0.376 1.00 0.00 H new ATOM 0 HG3 ARG A 48 2.500 -11.989 -1.525 1.00 0.00 H new ATOM 0 HD2 ARG A 48 1.866 -14.078 -0.275 1.00 0.00 H new ATOM 0 HD3 ARG A 48 3.529 -13.641 0.063 1.00 0.00 H new ATOM 0 HE ARG A 48 2.844 -12.739 2.269 1.00 0.00 H new ATOM 0 HH11 ARG A 48 0.103 -11.760 1.540 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -0.947 -12.946 2.322 1.00 0.00 H new ATOM 0 HH21 ARG A 48 1.610 -15.321 2.689 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -0.096 -14.958 2.971 1.00 0.00 H new ATOM 745 N GLU A 49 5.148 -11.135 -1.858 1.00 0.00 N ATOM 746 CA GLU A 49 5.875 -11.721 -3.006 1.00 0.00 C ATOM 747 C GLU A 49 6.289 -13.122 -2.576 1.00 0.00 C ATOM 748 O GLU A 49 6.246 -13.437 -1.396 1.00 0.00 O ATOM 749 CB GLU A 49 7.100 -10.818 -3.211 1.00 0.00 C ATOM 750 CG GLU A 49 7.954 -11.340 -4.372 1.00 0.00 C ATOM 751 CD GLU A 49 7.080 -11.520 -5.609 1.00 0.00 C ATOM 752 OE1 GLU A 49 6.844 -10.538 -6.284 1.00 0.00 O ATOM 753 OE2 GLU A 49 6.659 -12.639 -5.854 1.00 0.00 O ATOM 0 H GLU A 49 5.483 -11.447 -0.946 1.00 0.00 H new ATOM 0 HA GLU A 49 5.298 -11.785 -3.929 1.00 0.00 H new ATOM 0 HB2 GLU A 49 6.778 -9.797 -3.417 1.00 0.00 H new ATOM 0 HB3 GLU A 49 7.695 -10.787 -2.298 1.00 0.00 H new ATOM 0 HG2 GLU A 49 8.763 -10.641 -4.584 1.00 0.00 H new ATOM 0 HG3 GLU A 49 8.416 -12.289 -4.099 1.00 0.00 H new ATOM 760 N ARG A 50 6.675 -13.978 -3.471 1.00 0.00 N ATOM 761 CA ARG A 50 7.061 -15.337 -3.012 1.00 0.00 C ATOM 762 C ARG A 50 8.568 -15.568 -3.191 1.00 0.00 C ATOM 763 O ARG A 50 9.267 -14.752 -3.760 1.00 0.00 O ATOM 764 CB ARG A 50 6.253 -16.312 -3.870 1.00 0.00 C ATOM 765 CG ARG A 50 4.847 -16.475 -3.288 1.00 0.00 C ATOM 766 CD ARG A 50 4.457 -17.956 -3.294 1.00 0.00 C ATOM 767 NE ARG A 50 5.083 -18.534 -2.066 1.00 0.00 N ATOM 768 CZ ARG A 50 5.452 -19.788 -2.044 1.00 0.00 C ATOM 769 NH1 ARG A 50 4.590 -20.728 -2.338 1.00 0.00 N ATOM 770 NH2 ARG A 50 6.682 -20.098 -1.727 1.00 0.00 N ATOM 0 H ARG A 50 6.740 -13.806 -4.474 1.00 0.00 H new ATOM 0 HA ARG A 50 6.853 -15.474 -1.951 1.00 0.00 H new ATOM 0 HB2 ARG A 50 6.192 -15.944 -4.894 1.00 0.00 H new ATOM 0 HB3 ARG A 50 6.755 -17.279 -3.908 1.00 0.00 H new ATOM 0 HG2 ARG A 50 4.816 -16.085 -2.271 1.00 0.00 H new ATOM 0 HG3 ARG A 50 4.131 -15.898 -3.873 1.00 0.00 H new ATOM 0 HD2 ARG A 50 3.374 -18.078 -3.278 1.00 0.00 H new ATOM 0 HD3 ARG A 50 4.820 -18.455 -4.193 1.00 0.00 H new ATOM 0 HE ARG A 50 5.223 -17.948 -1.243 1.00 0.00 H new ATOM 0 HH11 ARG A 50 3.631 -20.482 -2.584 1.00 0.00 H new ATOM 0 HH12 ARG A 50 4.877 -21.707 -2.321 1.00 0.00 H new ATOM 0 HH21 ARG A 50 7.350 -19.362 -1.498 1.00 0.00 H new ATOM 0 HH22 ARG A 50 6.973 -21.075 -1.709 1.00 0.00 H new ATOM 784 N GLY A 51 9.080 -16.668 -2.693 1.00 0.00 N ATOM 785 CA GLY A 51 10.547 -16.943 -2.825 1.00 0.00 C ATOM 786 C GLY A 51 11.314 -16.193 -1.731 1.00 0.00 C ATOM 787 O GLY A 51 12.210 -16.729 -1.108 1.00 0.00 O ATOM 0 H GLY A 51 8.547 -17.386 -2.202 1.00 0.00 H new ATOM 0 HA2 GLY A 51 10.735 -18.014 -2.745 1.00 0.00 H new ATOM 0 HA3 GLY A 51 10.898 -16.630 -3.808 1.00 0.00 H new ATOM 791 N THR A 52 10.964 -14.957 -1.488 1.00 0.00 N ATOM 792 CA THR A 52 11.656 -14.157 -0.434 1.00 0.00 C ATOM 793 C THR A 52 10.613 -13.579 0.532 1.00 0.00 C ATOM 794 O THR A 52 9.423 -13.774 0.357 1.00 0.00 O ATOM 795 CB THR A 52 12.386 -13.036 -1.193 1.00 0.00 C ATOM 796 OG1 THR A 52 11.551 -12.526 -2.237 1.00 0.00 O ATOM 797 CG2 THR A 52 13.680 -13.586 -1.796 1.00 0.00 C ATOM 0 H THR A 52 10.220 -14.462 -1.980 1.00 0.00 H new ATOM 0 HA THR A 52 12.352 -14.750 0.159 1.00 0.00 H new ATOM 0 HB THR A 52 12.620 -12.229 -0.498 1.00 0.00 H new ATOM 0 HG1 THR A 52 11.917 -12.790 -3.107 1.00 0.00 H new ATOM 0 HG21 THR A 52 14.197 -12.791 -2.334 1.00 0.00 H new ATOM 0 HG22 THR A 52 14.322 -13.962 -0.999 1.00 0.00 H new ATOM 0 HG23 THR A 52 13.444 -14.397 -2.485 1.00 0.00 H new ATOM 805 N LYS A 53 11.035 -12.862 1.544 1.00 0.00 N ATOM 806 CA LYS A 53 10.063 -12.288 2.486 1.00 0.00 C ATOM 807 C LYS A 53 9.711 -10.878 2.032 1.00 0.00 C ATOM 808 O LYS A 53 10.476 -9.948 2.138 1.00 0.00 O ATOM 809 CB LYS A 53 10.754 -12.296 3.855 1.00 0.00 C ATOM 810 CG LYS A 53 10.588 -13.678 4.501 1.00 0.00 C ATOM 811 CD LYS A 53 11.920 -14.127 5.118 1.00 0.00 C ATOM 812 CE LYS A 53 12.048 -15.656 5.040 1.00 0.00 C ATOM 813 NZ LYS A 53 10.972 -16.201 5.926 1.00 0.00 N ATOM 0 H LYS A 53 12.013 -12.657 1.747 1.00 0.00 H new ATOM 0 HA LYS A 53 9.130 -12.850 2.535 1.00 0.00 H new ATOM 0 HB2 LYS A 53 11.812 -12.060 3.742 1.00 0.00 H new ATOM 0 HB3 LYS A 53 10.323 -11.528 4.497 1.00 0.00 H new ATOM 0 HG2 LYS A 53 9.815 -13.640 5.269 1.00 0.00 H new ATOM 0 HG3 LYS A 53 10.260 -14.402 3.755 1.00 0.00 H new ATOM 0 HD2 LYS A 53 12.751 -13.657 4.591 1.00 0.00 H new ATOM 0 HD3 LYS A 53 11.977 -13.802 6.157 1.00 0.00 H new ATOM 0 HE2 LYS A 53 11.926 -16.007 4.015 1.00 0.00 H new ATOM 0 HE3 LYS A 53 13.033 -15.984 5.374 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 11.176 -17.197 6.147 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 10.937 -15.651 6.808 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 10.055 -16.135 5.440 1.00 0.00 H new ATOM 827 N LYS A 54 8.558 -10.736 1.497 1.00 0.00 N ATOM 828 CA LYS A 54 8.106 -9.402 1.020 1.00 0.00 C ATOM 829 C LYS A 54 6.580 -9.324 1.154 1.00 0.00 C ATOM 830 O LYS A 54 5.866 -9.860 0.339 1.00 0.00 O ATOM 831 CB LYS A 54 8.535 -9.319 -0.449 1.00 0.00 C ATOM 832 CG LYS A 54 9.456 -8.111 -0.650 1.00 0.00 C ATOM 833 CD LYS A 54 10.224 -8.260 -1.966 1.00 0.00 C ATOM 834 CE LYS A 54 11.264 -9.382 -1.831 1.00 0.00 C ATOM 835 NZ LYS A 54 10.932 -10.372 -2.897 1.00 0.00 N ATOM 0 H LYS A 54 7.887 -11.492 1.361 1.00 0.00 H new ATOM 0 HA LYS A 54 8.533 -8.579 1.592 1.00 0.00 H new ATOM 0 HB2 LYS A 54 9.051 -10.234 -0.740 1.00 0.00 H new ATOM 0 HB3 LYS A 54 7.658 -9.230 -1.090 1.00 0.00 H new ATOM 0 HG2 LYS A 54 8.869 -7.192 -0.662 1.00 0.00 H new ATOM 0 HG3 LYS A 54 10.155 -8.032 0.183 1.00 0.00 H new ATOM 0 HD2 LYS A 54 9.533 -8.486 -2.778 1.00 0.00 H new ATOM 0 HD3 LYS A 54 10.717 -7.322 -2.219 1.00 0.00 H new ATOM 0 HE2 LYS A 54 12.275 -8.995 -1.957 1.00 0.00 H new ATOM 0 HE3 LYS A 54 11.219 -9.841 -0.843 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 11.271 -11.314 -2.614 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 9.902 -10.402 -3.034 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 11.392 -10.092 -3.787 1.00 0.00 H new ATOM 849 N VAL A 55 6.091 -8.694 2.194 1.00 0.00 N ATOM 850 CA VAL A 55 4.613 -8.597 2.419 1.00 0.00 C ATOM 851 C VAL A 55 4.232 -7.187 2.908 1.00 0.00 C ATOM 852 O VAL A 55 4.476 -6.826 4.042 1.00 0.00 O ATOM 853 CB VAL A 55 4.293 -9.633 3.514 1.00 0.00 C ATOM 854 CG1 VAL A 55 2.788 -9.902 3.545 1.00 0.00 C ATOM 855 CG2 VAL A 55 5.029 -10.949 3.241 1.00 0.00 C ATOM 0 H VAL A 55 6.660 -8.237 2.906 1.00 0.00 H new ATOM 0 HA VAL A 55 4.057 -8.784 1.500 1.00 0.00 H new ATOM 0 HB VAL A 55 4.620 -9.233 4.473 1.00 0.00 H new ATOM 0 HG11 VAL A 55 2.565 -10.635 4.320 1.00 0.00 H new ATOM 0 HG12 VAL A 55 2.257 -8.975 3.759 1.00 0.00 H new ATOM 0 HG13 VAL A 55 2.467 -10.289 2.578 1.00 0.00 H new ATOM 0 HG21 VAL A 55 4.791 -11.668 4.025 1.00 0.00 H new ATOM 0 HG22 VAL A 55 4.716 -11.347 2.276 1.00 0.00 H new ATOM 0 HG23 VAL A 55 6.104 -10.769 3.228 1.00 0.00 H new ATOM 865 N HIS A 56 3.609 -6.403 2.071 1.00 0.00 N ATOM 866 CA HIS A 56 3.175 -5.028 2.480 1.00 0.00 C ATOM 867 C HIS A 56 1.691 -5.100 2.787 1.00 0.00 C ATOM 868 O HIS A 56 0.935 -5.564 1.961 1.00 0.00 O ATOM 869 CB HIS A 56 3.464 -4.148 1.236 1.00 0.00 C ATOM 870 CG HIS A 56 2.427 -3.046 1.031 1.00 0.00 C ATOM 871 ND1 HIS A 56 2.801 -1.702 0.855 1.00 0.00 N ATOM 872 CD2 HIS A 56 1.045 -3.059 0.890 1.00 0.00 C ATOM 873 CE1 HIS A 56 1.681 -0.988 0.619 1.00 0.00 C ATOM 874 NE2 HIS A 56 0.621 -1.774 0.630 1.00 0.00 N ATOM 0 H HIS A 56 3.378 -6.655 1.110 1.00 0.00 H new ATOM 0 HA HIS A 56 3.681 -4.628 3.359 1.00 0.00 H new ATOM 0 HB2 HIS A 56 4.451 -3.696 1.339 1.00 0.00 H new ATOM 0 HB3 HIS A 56 3.494 -4.781 0.349 1.00 0.00 H new ATOM 0 HD1 HIS A 56 3.751 -1.332 0.898 1.00 0.00 H new ATOM 0 HD2 HIS A 56 0.410 -3.929 0.971 1.00 0.00 H new ATOM 0 HE1 HIS A 56 1.655 0.078 0.445 1.00 0.00 H new ATOM 883 N VAL A 57 1.223 -4.660 3.928 1.00 0.00 N ATOM 884 CA VAL A 57 -0.239 -4.762 4.128 1.00 0.00 C ATOM 885 C VAL A 57 -0.811 -3.364 4.290 1.00 0.00 C ATOM 886 O VAL A 57 -0.384 -2.577 5.113 1.00 0.00 O ATOM 887 CB VAL A 57 -0.464 -5.681 5.336 1.00 0.00 C ATOM 888 CG1 VAL A 57 0.452 -5.285 6.485 1.00 0.00 C ATOM 889 CG2 VAL A 57 -1.932 -5.608 5.776 1.00 0.00 C ATOM 0 H VAL A 57 1.765 -4.255 4.691 1.00 0.00 H new ATOM 0 HA VAL A 57 -0.761 -5.200 3.277 1.00 0.00 H new ATOM 0 HB VAL A 57 -0.229 -6.706 5.048 1.00 0.00 H new ATOM 0 HG11 VAL A 57 0.279 -5.947 7.333 1.00 0.00 H new ATOM 0 HG12 VAL A 57 1.491 -5.367 6.167 1.00 0.00 H new ATOM 0 HG13 VAL A 57 0.243 -4.256 6.779 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -2.088 -6.262 6.634 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -2.179 -4.583 6.052 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -2.574 -5.927 4.955 1.00 0.00 H new ATOM 899 N PHE A 58 -1.751 -3.055 3.456 1.00 0.00 N ATOM 900 CA PHE A 58 -2.392 -1.720 3.464 1.00 0.00 C ATOM 901 C PHE A 58 -3.699 -1.855 2.684 1.00 0.00 C ATOM 902 O PHE A 58 -4.051 -2.921 2.226 1.00 0.00 O ATOM 903 CB PHE A 58 -1.434 -0.788 2.697 1.00 0.00 C ATOM 904 CG PHE A 58 -0.842 0.329 3.558 1.00 0.00 C ATOM 905 CD1 PHE A 58 -1.563 1.520 3.830 1.00 0.00 C ATOM 906 CD2 PHE A 58 0.475 0.204 4.021 1.00 0.00 C ATOM 907 CE1 PHE A 58 -0.964 2.551 4.561 1.00 0.00 C ATOM 908 CE2 PHE A 58 1.070 1.246 4.740 1.00 0.00 C ATOM 909 CZ PHE A 58 0.353 2.416 5.011 1.00 0.00 C ATOM 0 H PHE A 58 -2.114 -3.692 2.746 1.00 0.00 H new ATOM 0 HA PHE A 58 -2.589 -1.339 4.466 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -0.621 -1.382 2.279 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -1.969 -0.343 1.858 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -2.576 1.631 3.472 1.00 0.00 H new ATOM 0 HD2 PHE A 58 1.032 -0.700 3.822 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -1.519 3.452 4.778 1.00 0.00 H new ATOM 0 HE2 PHE A 58 2.088 1.147 5.087 1.00 0.00 H new ATOM 0 HZ PHE A 58 0.817 3.216 5.568 1.00 0.00 H new ATOM 919 N LYS A 59 -4.386 -0.784 2.506 1.00 0.00 N ATOM 920 CA LYS A 59 -5.668 -0.811 1.716 1.00 0.00 C ATOM 921 C LYS A 59 -5.629 0.367 0.740 1.00 0.00 C ATOM 922 O LYS A 59 -5.409 1.482 1.155 1.00 0.00 O ATOM 923 CB LYS A 59 -6.787 -0.658 2.752 1.00 0.00 C ATOM 924 CG LYS A 59 -6.467 -1.521 3.983 1.00 0.00 C ATOM 925 CD LYS A 59 -7.682 -1.600 4.912 1.00 0.00 C ATOM 926 CE LYS A 59 -7.289 -2.350 6.192 1.00 0.00 C ATOM 927 NZ LYS A 59 -8.536 -3.024 6.666 1.00 0.00 N ATOM 0 H LYS A 59 -4.128 0.133 2.871 1.00 0.00 H new ATOM 0 HA LYS A 59 -5.819 -1.723 1.138 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -6.887 0.388 3.044 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -7.741 -0.961 2.320 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -6.178 -2.523 3.667 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -5.618 -1.099 4.520 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -8.034 -0.598 5.157 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -8.504 -2.113 4.413 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -6.502 -3.078 5.993 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -6.905 -1.663 6.946 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -8.290 -3.916 7.140 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -9.034 -2.403 7.335 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -9.154 -3.223 5.853 1.00 0.00 H new ATOM 941 N ALA A 60 -5.786 0.143 -0.551 1.00 0.00 N ATOM 942 CA ALA A 60 -5.665 1.302 -1.503 1.00 0.00 C ATOM 943 C ALA A 60 -6.997 1.697 -2.156 1.00 0.00 C ATOM 944 O ALA A 60 -7.518 0.996 -3.003 1.00 0.00 O ATOM 945 CB ALA A 60 -4.672 0.822 -2.561 1.00 0.00 C ATOM 0 H ALA A 60 -5.986 -0.763 -0.975 1.00 0.00 H new ATOM 0 HA ALA A 60 -5.341 2.200 -0.977 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -4.521 1.607 -3.302 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -3.720 0.584 -2.086 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -5.065 -0.069 -3.051 1.00 0.00 H new ATOM 951 N TRP A 61 -7.531 2.835 -1.773 1.00 0.00 N ATOM 952 CA TRP A 61 -8.842 3.318 -2.360 1.00 0.00 C ATOM 953 C TRP A 61 -8.735 4.787 -2.781 1.00 0.00 C ATOM 954 O TRP A 61 -7.653 5.290 -2.920 1.00 0.00 O ATOM 955 CB TRP A 61 -9.873 3.129 -1.247 1.00 0.00 C ATOM 956 CG TRP A 61 -9.839 1.706 -0.828 1.00 0.00 C ATOM 957 CD1 TRP A 61 -9.757 0.683 -1.678 1.00 0.00 C ATOM 958 CD2 TRP A 61 -9.858 1.137 0.502 1.00 0.00 C ATOM 959 NE1 TRP A 61 -9.739 -0.497 -0.975 1.00 0.00 N ATOM 960 CE2 TRP A 61 -9.816 -0.271 0.387 1.00 0.00 C ATOM 961 CE3 TRP A 61 -9.922 1.704 1.775 1.00 0.00 C ATOM 962 CZ2 TRP A 61 -9.840 -1.093 1.510 1.00 0.00 C ATOM 963 CZ3 TRP A 61 -9.945 0.885 2.916 1.00 0.00 C ATOM 964 CH2 TRP A 61 -9.910 -0.512 2.783 1.00 0.00 C ATOM 0 H TRP A 61 -7.120 3.457 -1.077 1.00 0.00 H new ATOM 0 HA TRP A 61 -9.120 2.766 -3.258 1.00 0.00 H new ATOM 0 HB2 TRP A 61 -9.646 3.780 -0.403 1.00 0.00 H new ATOM 0 HB3 TRP A 61 -10.868 3.399 -1.600 1.00 0.00 H new ATOM 0 HD1 TRP A 61 -9.712 0.768 -2.754 1.00 0.00 H new ATOM 0 HE1 TRP A 61 -9.677 -1.421 -1.403 1.00 0.00 H new ATOM 0 HE3 TRP A 61 -9.954 2.778 1.884 1.00 0.00 H new ATOM 0 HZ2 TRP A 61 -9.805 -2.167 1.401 1.00 0.00 H new ATOM 0 HZ3 TRP A 61 -9.990 1.331 3.898 1.00 0.00 H new ATOM 0 HH2 TRP A 61 -9.937 -1.139 3.662 1.00 0.00 H new ATOM 975 N LYS A 62 -9.833 5.488 -3.006 1.00 0.00 N ATOM 976 CA LYS A 62 -9.706 6.933 -3.418 1.00 0.00 C ATOM 977 C LYS A 62 -10.502 7.875 -2.493 1.00 0.00 C ATOM 978 O LYS A 62 -11.636 8.215 -2.766 1.00 0.00 O ATOM 979 CB LYS A 62 -10.237 7.011 -4.853 1.00 0.00 C ATOM 980 CG LYS A 62 -9.331 7.918 -5.691 1.00 0.00 C ATOM 981 CD LYS A 62 -9.134 7.302 -7.081 1.00 0.00 C ATOM 982 CE LYS A 62 -8.270 8.230 -7.946 1.00 0.00 C ATOM 983 NZ LYS A 62 -9.238 9.012 -8.774 1.00 0.00 N ATOM 0 H LYS A 62 -10.786 5.134 -2.925 1.00 0.00 H new ATOM 0 HA LYS A 62 -8.668 7.258 -3.349 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -10.275 6.014 -5.291 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -11.256 7.398 -4.853 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -9.774 8.910 -5.781 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -8.367 8.043 -5.197 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -8.657 6.326 -6.991 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -10.101 7.142 -7.558 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -7.660 8.888 -7.328 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -7.587 7.659 -8.574 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -8.717 9.668 -9.390 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -9.801 8.361 -9.358 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -9.871 9.552 -8.150 1.00 0.00 H new ATOM 997 N GLU A 63 -9.869 8.335 -1.434 1.00 0.00 N ATOM 998 CA GLU A 63 -10.517 9.315 -0.479 1.00 0.00 C ATOM 999 C GLU A 63 -9.461 9.938 0.488 1.00 0.00 C ATOM 1000 O GLU A 63 -8.287 9.675 0.394 1.00 0.00 O ATOM 1001 CB GLU A 63 -11.573 8.529 0.278 1.00 0.00 C ATOM 1002 CG GLU A 63 -12.969 8.864 -0.253 1.00 0.00 C ATOM 1003 CD GLU A 63 -14.006 8.091 0.559 1.00 0.00 C ATOM 1004 OE1 GLU A 63 -14.166 6.910 0.300 1.00 0.00 O ATOM 1005 OE2 GLU A 63 -14.613 8.689 1.431 1.00 0.00 O ATOM 0 H GLU A 63 -8.916 8.072 -1.183 1.00 0.00 H new ATOM 0 HA GLU A 63 -10.965 10.154 -1.012 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -11.384 7.460 0.174 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -11.516 8.761 1.341 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -13.154 9.936 -0.178 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -13.044 8.601 -1.308 1.00 0.00 H new ATOM 1012 N ILE A 64 -9.857 10.802 1.390 1.00 0.00 N ATOM 1013 CA ILE A 64 -8.840 11.485 2.291 1.00 0.00 C ATOM 1014 C ILE A 64 -8.321 10.620 3.466 1.00 0.00 C ATOM 1015 O ILE A 64 -8.967 10.532 4.497 1.00 0.00 O ATOM 1016 CB ILE A 64 -9.578 12.716 2.852 1.00 0.00 C ATOM 1017 CG1 ILE A 64 -10.284 13.480 1.723 1.00 0.00 C ATOM 1018 CG2 ILE A 64 -8.578 13.653 3.535 1.00 0.00 C ATOM 1019 CD1 ILE A 64 -11.772 13.615 2.050 1.00 0.00 C ATOM 0 H ILE A 64 -10.828 11.071 1.551 1.00 0.00 H new ATOM 0 HA ILE A 64 -7.948 11.714 1.709 1.00 0.00 H new ATOM 0 HB ILE A 64 -10.320 12.373 3.573 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -9.837 14.467 1.602 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -10.155 12.953 0.777 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -9.105 14.522 3.930 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -8.084 13.126 4.351 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -7.832 13.979 2.810 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -12.273 14.158 1.248 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -12.214 12.624 2.149 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -11.891 14.160 2.986 1.00 0.00 H new ATOM 1031 N VAL A 65 -7.137 10.018 3.354 1.00 0.00 N ATOM 1032 CA VAL A 65 -6.592 9.223 4.500 1.00 0.00 C ATOM 1033 C VAL A 65 -5.729 10.117 5.408 1.00 0.00 C ATOM 1034 O VAL A 65 -5.684 11.330 5.276 1.00 0.00 O ATOM 1035 CB VAL A 65 -5.699 8.087 3.938 1.00 0.00 C ATOM 1036 CG1 VAL A 65 -6.288 6.734 4.349 1.00 0.00 C ATOM 1037 CG2 VAL A 65 -5.555 8.152 2.408 1.00 0.00 C ATOM 0 H VAL A 65 -6.543 10.050 2.525 1.00 0.00 H new ATOM 0 HA VAL A 65 -7.422 8.816 5.078 1.00 0.00 H new ATOM 0 HB VAL A 65 -4.701 8.212 4.357 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -5.664 5.931 3.956 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -6.323 6.668 5.436 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -7.297 6.639 3.947 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -4.920 7.334 2.067 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -6.538 8.065 1.946 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -5.104 9.103 2.125 1.00 0.00 H new ATOM 1047 N ASP A 66 -5.023 9.483 6.307 1.00 0.00 N ATOM 1048 CA ASP A 66 -4.100 10.178 7.250 1.00 0.00 C ATOM 1049 C ASP A 66 -2.704 9.543 7.099 1.00 0.00 C ATOM 1050 O ASP A 66 -2.580 8.341 7.101 1.00 0.00 O ATOM 1051 CB ASP A 66 -4.674 9.905 8.645 1.00 0.00 C ATOM 1052 CG ASP A 66 -3.947 10.765 9.678 1.00 0.00 C ATOM 1053 OD1 ASP A 66 -2.814 10.446 9.995 1.00 0.00 O ATOM 1054 OD2 ASP A 66 -4.536 11.728 10.132 1.00 0.00 O ATOM 0 H ASP A 66 -5.051 8.471 6.429 1.00 0.00 H new ATOM 0 HA ASP A 66 -4.011 11.249 7.068 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -5.741 10.126 8.659 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -4.564 8.850 8.894 1.00 0.00 H new ATOM 1059 N ALA A 67 -1.673 10.339 6.922 1.00 0.00 N ATOM 1060 CA ALA A 67 -0.275 9.805 6.710 1.00 0.00 C ATOM 1061 C ALA A 67 0.253 9.094 7.946 1.00 0.00 C ATOM 1062 O ALA A 67 0.708 9.766 8.813 1.00 0.00 O ATOM 1063 CB ALA A 67 0.584 11.056 6.519 1.00 0.00 C ATOM 0 H ALA A 67 -1.738 11.357 6.915 1.00 0.00 H new ATOM 0 HA ALA A 67 -0.259 9.099 5.879 1.00 0.00 H new ATOM 0 HB1 ALA A 67 1.622 10.764 6.358 1.00 0.00 H new ATOM 0 HB2 ALA A 67 0.226 11.615 5.654 1.00 0.00 H new ATOM 0 HB3 ALA A 67 0.518 11.682 7.409 1.00 0.00 H new ATOM 1069 N PRO A 68 0.186 7.773 7.996 1.00 0.00 N ATOM 1070 CA PRO A 68 0.650 7.027 9.191 1.00 0.00 C ATOM 1071 C PRO A 68 2.120 6.574 9.085 1.00 0.00 C ATOM 1072 O PRO A 68 2.400 5.450 8.701 1.00 0.00 O ATOM 1073 CB PRO A 68 -0.287 5.818 9.197 1.00 0.00 C ATOM 1074 CG PRO A 68 -0.737 5.636 7.768 1.00 0.00 C ATOM 1075 CD PRO A 68 -0.298 6.847 6.975 1.00 0.00 C ATOM 0 HA PRO A 68 0.621 7.632 10.097 1.00 0.00 H new ATOM 0 HB2 PRO A 68 0.226 4.928 9.561 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -1.139 5.987 9.856 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -0.305 4.729 7.346 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -1.820 5.524 7.722 1.00 0.00 H new ATOM 0 HD2 PRO A 68 0.485 6.595 6.260 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -1.124 7.274 6.406 1.00 0.00 H new ATOM 1083 N LYS A 69 3.050 7.434 9.455 1.00 0.00 N ATOM 1084 CA LYS A 69 4.518 7.078 9.421 1.00 0.00 C ATOM 1085 C LYS A 69 4.866 6.238 8.183 1.00 0.00 C ATOM 1086 O LYS A 69 5.421 5.153 8.278 1.00 0.00 O ATOM 1087 CB LYS A 69 4.762 6.277 10.704 1.00 0.00 C ATOM 1088 CG LYS A 69 4.952 7.238 11.879 1.00 0.00 C ATOM 1089 CD LYS A 69 5.346 6.450 13.131 1.00 0.00 C ATOM 1090 CE LYS A 69 6.455 7.198 13.879 1.00 0.00 C ATOM 1091 NZ LYS A 69 7.733 6.715 13.274 1.00 0.00 N ATOM 0 H LYS A 69 2.853 8.379 9.783 1.00 0.00 H new ATOM 0 HA LYS A 69 5.144 7.969 9.363 1.00 0.00 H new ATOM 0 HB2 LYS A 69 3.919 5.613 10.896 1.00 0.00 H new ATOM 0 HB3 LYS A 69 5.644 5.647 10.590 1.00 0.00 H new ATOM 0 HG2 LYS A 69 5.723 7.971 11.641 1.00 0.00 H new ATOM 0 HG3 LYS A 69 4.031 7.792 12.061 1.00 0.00 H new ATOM 0 HD2 LYS A 69 4.479 6.320 13.779 1.00 0.00 H new ATOM 0 HD3 LYS A 69 5.689 5.453 12.853 1.00 0.00 H new ATOM 0 HE2 LYS A 69 6.348 8.277 13.764 1.00 0.00 H new ATOM 0 HE3 LYS A 69 6.421 6.986 14.948 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 8.536 7.185 13.738 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 7.812 5.686 13.404 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 7.742 6.937 12.258 1.00 0.00 H new ATOM 1105 N ASN A 70 4.528 6.726 7.023 1.00 0.00 N ATOM 1106 CA ASN A 70 4.811 5.964 5.770 1.00 0.00 C ATOM 1107 C ASN A 70 6.168 6.337 5.158 1.00 0.00 C ATOM 1108 O ASN A 70 6.611 5.705 4.224 1.00 0.00 O ATOM 1109 CB ASN A 70 3.674 6.323 4.834 1.00 0.00 C ATOM 1110 CG ASN A 70 2.758 5.108 4.703 1.00 0.00 C ATOM 1111 OD1 ASN A 70 2.361 4.526 5.694 1.00 0.00 O ATOM 1112 ND2 ASN A 70 2.422 4.682 3.528 1.00 0.00 N ATOM 0 H ASN A 70 4.065 7.625 6.886 1.00 0.00 H new ATOM 0 HA ASN A 70 4.871 4.893 5.962 1.00 0.00 H new ATOM 0 HB2 ASN A 70 3.119 7.177 5.222 1.00 0.00 H new ATOM 0 HB3 ASN A 70 4.063 6.612 3.858 1.00 0.00 H new ATOM 0 HD21 ASN A 70 1.825 3.860 3.435 1.00 0.00 H new ATOM 0 HD22 ASN A 70 2.754 5.168 2.695 1.00 0.00 H new ATOM 1119 N ARG A 71 6.796 7.373 5.666 1.00 0.00 N ATOM 1120 CA ARG A 71 8.131 7.849 5.152 1.00 0.00 C ATOM 1121 C ARG A 71 8.089 8.323 3.676 1.00 0.00 C ATOM 1122 O ARG A 71 9.055 8.153 2.952 1.00 0.00 O ATOM 1123 CB ARG A 71 9.106 6.662 5.363 1.00 0.00 C ATOM 1124 CG ARG A 71 9.209 5.768 4.109 1.00 0.00 C ATOM 1125 CD ARG A 71 8.800 4.328 4.456 1.00 0.00 C ATOM 1126 NE ARG A 71 10.050 3.662 4.914 1.00 0.00 N ATOM 1127 CZ ARG A 71 10.448 3.806 6.149 1.00 0.00 C ATOM 1128 NH1 ARG A 71 11.202 4.822 6.469 1.00 0.00 N ATOM 1129 NH2 ARG A 71 10.086 2.938 7.054 1.00 0.00 N ATOM 0 H ARG A 71 6.430 7.928 6.440 1.00 0.00 H new ATOM 0 HA ARG A 71 8.456 8.736 5.695 1.00 0.00 H new ATOM 0 HB2 ARG A 71 10.094 7.045 5.617 1.00 0.00 H new ATOM 0 HB3 ARG A 71 8.770 6.063 6.209 1.00 0.00 H new ATOM 0 HG2 ARG A 71 8.565 6.158 3.320 1.00 0.00 H new ATOM 0 HG3 ARG A 71 10.229 5.783 3.724 1.00 0.00 H new ATOM 0 HD2 ARG A 71 8.038 4.313 5.236 1.00 0.00 H new ATOM 0 HD3 ARG A 71 8.379 3.819 3.589 1.00 0.00 H new ATOM 0 HE ARG A 71 10.594 3.094 4.264 1.00 0.00 H new ATOM 0 HH11 ARG A 71 11.477 5.498 5.756 1.00 0.00 H new ATOM 0 HH12 ARG A 71 11.516 4.940 7.432 1.00 0.00 H new ATOM 0 HH21 ARG A 71 9.493 2.149 6.796 1.00 0.00 H new ATOM 0 HH22 ARG A 71 10.396 3.049 8.019 1.00 0.00 H new ATOM 1143 N PRO A 72 7.001 8.936 3.263 1.00 0.00 N ATOM 1144 CA PRO A 72 6.915 9.436 1.882 1.00 0.00 C ATOM 1145 C PRO A 72 7.356 10.904 1.832 1.00 0.00 C ATOM 1146 O PRO A 72 6.720 11.762 2.411 1.00 0.00 O ATOM 1147 CB PRO A 72 5.431 9.327 1.573 1.00 0.00 C ATOM 1148 CG PRO A 72 4.737 9.414 2.902 1.00 0.00 C ATOM 1149 CD PRO A 72 5.763 9.224 3.992 1.00 0.00 C ATOM 0 HA PRO A 72 7.545 8.891 1.180 1.00 0.00 H new ATOM 0 HB2 PRO A 72 5.109 10.129 0.909 1.00 0.00 H new ATOM 0 HB3 PRO A 72 5.203 8.386 1.072 1.00 0.00 H new ATOM 0 HG2 PRO A 72 4.245 10.381 3.010 1.00 0.00 H new ATOM 0 HG3 PRO A 72 3.961 8.652 2.975 1.00 0.00 H new ATOM 0 HD2 PRO A 72 5.861 10.117 4.609 1.00 0.00 H new ATOM 0 HD3 PRO A 72 5.492 8.405 4.658 1.00 0.00 H new ATOM 1157 N ALA A 73 8.436 11.206 1.160 1.00 0.00 N ATOM 1158 CA ALA A 73 8.892 12.631 1.107 1.00 0.00 C ATOM 1159 C ALA A 73 8.133 13.430 0.042 1.00 0.00 C ATOM 1160 O ALA A 73 8.096 14.644 0.076 1.00 0.00 O ATOM 1161 CB ALA A 73 10.386 12.569 0.782 1.00 0.00 C ATOM 0 H ALA A 73 9.017 10.539 0.651 1.00 0.00 H new ATOM 0 HA ALA A 73 8.701 13.141 2.051 1.00 0.00 H new ATOM 0 HB1 ALA A 73 10.789 13.580 0.727 1.00 0.00 H new ATOM 0 HB2 ALA A 73 10.905 12.013 1.563 1.00 0.00 H new ATOM 0 HB3 ALA A 73 10.530 12.069 -0.176 1.00 0.00 H new ATOM 1167 N TRP A 74 7.537 12.762 -0.896 1.00 0.00 N ATOM 1168 CA TRP A 74 6.783 13.460 -1.969 1.00 0.00 C ATOM 1169 C TRP A 74 5.376 13.820 -1.477 1.00 0.00 C ATOM 1170 O TRP A 74 4.856 14.879 -1.771 1.00 0.00 O ATOM 1171 CB TRP A 74 6.713 12.432 -3.106 1.00 0.00 C ATOM 1172 CG TRP A 74 8.087 11.896 -3.397 1.00 0.00 C ATOM 1173 CD1 TRP A 74 8.721 10.916 -2.703 1.00 0.00 C ATOM 1174 CD2 TRP A 74 8.999 12.306 -4.442 1.00 0.00 C ATOM 1175 NE1 TRP A 74 9.961 10.696 -3.275 1.00 0.00 N ATOM 1176 CE2 TRP A 74 10.178 11.532 -4.354 1.00 0.00 C ATOM 1177 CE3 TRP A 74 8.908 13.266 -5.450 1.00 0.00 C ATOM 1178 CZ2 TRP A 74 11.235 11.712 -5.246 1.00 0.00 C ATOM 1179 CZ3 TRP A 74 9.967 13.456 -6.353 1.00 0.00 C ATOM 1180 CH2 TRP A 74 11.129 12.678 -6.251 1.00 0.00 C ATOM 0 H TRP A 74 7.539 11.745 -0.968 1.00 0.00 H new ATOM 0 HA TRP A 74 7.253 14.393 -2.280 1.00 0.00 H new ATOM 0 HB2 TRP A 74 6.046 11.616 -2.829 1.00 0.00 H new ATOM 0 HB3 TRP A 74 6.297 12.894 -4.001 1.00 0.00 H new ATOM 0 HD1 TRP A 74 8.323 10.394 -1.845 1.00 0.00 H new ATOM 0 HE1 TRP A 74 10.632 10.003 -2.942 1.00 0.00 H new ATOM 0 HE3 TRP A 74 8.016 13.868 -5.537 1.00 0.00 H new ATOM 0 HZ2 TRP A 74 12.128 11.110 -5.161 1.00 0.00 H new ATOM 0 HZ3 TRP A 74 9.886 14.204 -7.128 1.00 0.00 H new ATOM 0 HH2 TRP A 74 11.941 12.825 -6.948 1.00 0.00 H new ATOM 1191 N MET A 75 4.763 12.936 -0.729 1.00 0.00 N ATOM 1192 CA MET A 75 3.386 13.196 -0.200 1.00 0.00 C ATOM 1193 C MET A 75 3.017 12.115 0.826 1.00 0.00 C ATOM 1194 O MET A 75 3.204 10.947 0.564 1.00 0.00 O ATOM 1195 CB MET A 75 2.459 13.120 -1.420 1.00 0.00 C ATOM 1196 CG MET A 75 1.791 14.481 -1.638 1.00 0.00 C ATOM 1197 SD MET A 75 1.067 14.541 -3.296 1.00 0.00 S ATOM 1198 CE MET A 75 2.615 14.689 -4.220 1.00 0.00 C ATOM 0 H MET A 75 5.161 12.036 -0.459 1.00 0.00 H new ATOM 0 HA MET A 75 3.308 14.161 0.300 1.00 0.00 H new ATOM 0 HB2 MET A 75 3.028 12.836 -2.305 1.00 0.00 H new ATOM 0 HB3 MET A 75 1.702 12.351 -1.267 1.00 0.00 H new ATOM 0 HG2 MET A 75 1.018 14.643 -0.886 1.00 0.00 H new ATOM 0 HG3 MET A 75 2.523 15.280 -1.520 1.00 0.00 H new ATOM 0 HE1 MET A 75 2.407 15.074 -5.218 1.00 0.00 H new ATOM 0 HE2 MET A 75 3.286 15.373 -3.699 1.00 0.00 H new ATOM 0 HE3 MET A 75 3.086 13.709 -4.300 1.00 0.00 H new ATOM 1208 N PRO A 76 2.512 12.533 1.959 1.00 0.00 N ATOM 1209 CA PRO A 76 2.125 11.573 3.025 1.00 0.00 C ATOM 1210 C PRO A 76 0.699 11.068 2.852 1.00 0.00 C ATOM 1211 O PRO A 76 0.024 11.416 1.900 1.00 0.00 O ATOM 1212 CB PRO A 76 2.284 12.405 4.294 1.00 0.00 C ATOM 1213 CG PRO A 76 2.134 13.842 3.873 1.00 0.00 C ATOM 1214 CD PRO A 76 2.266 13.917 2.369 1.00 0.00 C ATOM 0 HA PRO A 76 2.729 10.665 3.024 1.00 0.00 H new ATOM 0 HB2 PRO A 76 1.530 12.135 5.034 1.00 0.00 H new ATOM 0 HB3 PRO A 76 3.257 12.233 4.753 1.00 0.00 H new ATOM 0 HG2 PRO A 76 1.165 14.230 4.188 1.00 0.00 H new ATOM 0 HG3 PRO A 76 2.895 14.458 4.351 1.00 0.00 H new ATOM 0 HD2 PRO A 76 1.361 14.313 1.909 1.00 0.00 H new ATOM 0 HD3 PRO A 76 3.086 14.571 2.074 1.00 0.00 H new ATOM 1222 N GLU A 77 0.222 10.233 3.762 1.00 0.00 N ATOM 1223 CA GLU A 77 -1.167 9.725 3.588 1.00 0.00 C ATOM 1224 C GLU A 77 -2.161 10.664 4.257 1.00 0.00 C ATOM 1225 O GLU A 77 -3.318 10.342 4.388 1.00 0.00 O ATOM 1226 CB GLU A 77 -1.198 8.333 4.229 1.00 0.00 C ATOM 1227 CG GLU A 77 -1.477 7.273 3.167 1.00 0.00 C ATOM 1228 CD GLU A 77 -0.556 6.076 3.399 1.00 0.00 C ATOM 1229 OE1 GLU A 77 -0.647 5.481 4.455 1.00 0.00 O ATOM 1230 OE2 GLU A 77 0.227 5.776 2.517 1.00 0.00 O ATOM 0 H GLU A 77 0.723 9.898 4.585 1.00 0.00 H new ATOM 0 HA GLU A 77 -1.447 9.671 2.536 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -0.245 8.128 4.717 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -1.967 8.297 5.001 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -2.520 6.959 3.214 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -1.313 7.686 2.172 1.00 0.00 H new ATOM 1237 N LYS A 78 -1.729 11.838 4.661 1.00 0.00 N ATOM 1238 CA LYS A 78 -2.690 12.789 5.307 1.00 0.00 C ATOM 1239 C LYS A 78 -3.215 13.702 4.232 1.00 0.00 C ATOM 1240 O LYS A 78 -2.718 14.801 4.037 1.00 0.00 O ATOM 1241 CB LYS A 78 -1.872 13.580 6.342 1.00 0.00 C ATOM 1242 CG LYS A 78 -2.635 13.644 7.669 1.00 0.00 C ATOM 1243 CD LYS A 78 -1.702 13.245 8.818 1.00 0.00 C ATOM 1244 CE LYS A 78 -2.368 13.577 10.158 1.00 0.00 C ATOM 1245 NZ LYS A 78 -1.795 14.891 10.570 1.00 0.00 N ATOM 0 H LYS A 78 -0.770 12.174 4.573 1.00 0.00 H new ATOM 0 HA LYS A 78 -3.532 12.292 5.790 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -0.902 13.105 6.492 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -1.680 14.588 5.974 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -3.018 14.651 7.831 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -3.496 12.976 7.638 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -1.478 12.179 8.765 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -0.753 13.775 8.731 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -3.451 13.636 10.054 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -2.160 12.807 10.901 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -2.207 15.179 11.480 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -0.763 14.804 10.669 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -2.014 15.607 9.848 1.00 0.00 H new ATOM 1259 N ILE A 79 -4.188 13.247 3.492 1.00 0.00 N ATOM 1260 CA ILE A 79 -4.690 14.109 2.380 1.00 0.00 C ATOM 1261 C ILE A 79 -5.858 13.476 1.630 1.00 0.00 C ATOM 1262 O ILE A 79 -6.067 12.278 1.671 1.00 0.00 O ATOM 1263 CB ILE A 79 -3.457 14.279 1.445 1.00 0.00 C ATOM 1264 CG1 ILE A 79 -3.872 14.388 -0.031 1.00 0.00 C ATOM 1265 CG2 ILE A 79 -2.488 13.082 1.594 1.00 0.00 C ATOM 1266 CD1 ILE A 79 -4.155 15.851 -0.382 1.00 0.00 C ATOM 0 H ILE A 79 -4.648 12.343 3.601 1.00 0.00 H new ATOM 0 HA ILE A 79 -5.079 15.056 2.753 1.00 0.00 H new ATOM 0 HB ILE A 79 -2.961 15.202 1.745 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -3.081 13.997 -0.671 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -4.759 13.782 -0.215 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -1.633 13.221 0.932 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -2.141 13.021 2.626 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -3.006 12.160 1.330 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -4.449 15.924 -1.429 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -4.961 16.227 0.248 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -3.257 16.446 -0.215 1.00 0.00 H new ATOM 1278 N SER A 80 -6.552 14.281 0.864 1.00 0.00 N ATOM 1279 CA SER A 80 -7.652 13.756 -0.001 1.00 0.00 C ATOM 1280 C SER A 80 -6.936 13.038 -1.137 1.00 0.00 C ATOM 1281 O SER A 80 -6.319 13.672 -1.977 1.00 0.00 O ATOM 1282 CB SER A 80 -8.415 14.989 -0.518 1.00 0.00 C ATOM 1283 OG SER A 80 -7.935 16.166 0.134 1.00 0.00 O ATOM 0 H SER A 80 -6.402 15.288 0.801 1.00 0.00 H new ATOM 0 HA SER A 80 -8.353 13.085 0.495 1.00 0.00 H new ATOM 0 HB2 SER A 80 -8.286 15.082 -1.596 1.00 0.00 H new ATOM 0 HB3 SER A 80 -9.483 14.870 -0.334 1.00 0.00 H new ATOM 0 HG SER A 80 -8.423 16.947 -0.200 1.00 0.00 H new ATOM 1289 N LYS A 81 -6.909 11.731 -1.123 1.00 0.00 N ATOM 1290 CA LYS A 81 -6.103 11.016 -2.156 1.00 0.00 C ATOM 1291 C LYS A 81 -6.507 9.552 -2.213 1.00 0.00 C ATOM 1292 O LYS A 81 -7.535 9.191 -1.715 1.00 0.00 O ATOM 1293 CB LYS A 81 -4.679 11.162 -1.611 1.00 0.00 C ATOM 1294 CG LYS A 81 -3.872 12.068 -2.531 1.00 0.00 C ATOM 1295 CD LYS A 81 -2.378 11.771 -2.363 1.00 0.00 C ATOM 1296 CE LYS A 81 -1.557 13.054 -2.558 1.00 0.00 C ATOM 1297 NZ LYS A 81 -2.037 13.657 -3.840 1.00 0.00 N ATOM 0 H LYS A 81 -7.400 11.137 -0.455 1.00 0.00 H new ATOM 0 HA LYS A 81 -6.227 11.405 -3.167 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -4.705 11.579 -0.604 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -4.204 10.184 -1.539 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -4.170 11.910 -3.567 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -4.074 13.113 -2.297 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -2.191 11.358 -1.372 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -2.066 11.017 -3.086 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -1.702 13.741 -1.725 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -0.491 12.832 -2.606 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -1.275 14.224 -4.263 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -2.312 12.900 -4.498 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -2.858 14.266 -3.651 1.00 0.00 H new ATOM 1311 N PRO A 82 -5.687 8.725 -2.790 1.00 0.00 N ATOM 1312 CA PRO A 82 -6.032 7.303 -2.788 1.00 0.00 C ATOM 1313 C PRO A 82 -5.891 6.794 -1.343 1.00 0.00 C ATOM 1314 O PRO A 82 -4.837 6.920 -0.748 1.00 0.00 O ATOM 1315 CB PRO A 82 -4.989 6.673 -3.707 1.00 0.00 C ATOM 1316 CG PRO A 82 -3.837 7.618 -3.659 1.00 0.00 C ATOM 1317 CD PRO A 82 -4.420 8.990 -3.490 1.00 0.00 C ATOM 0 HA PRO A 82 -7.043 7.075 -3.124 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -4.703 5.679 -3.362 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -5.369 6.561 -4.722 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -3.170 7.375 -2.832 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -3.247 7.557 -4.573 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -3.765 9.638 -2.908 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -4.584 9.480 -4.450 1.00 0.00 H new ATOM 1325 N PHE A 83 -6.943 6.257 -0.752 1.00 0.00 N ATOM 1326 CA PHE A 83 -6.827 5.788 0.652 1.00 0.00 C ATOM 1327 C PHE A 83 -5.727 4.772 0.762 1.00 0.00 C ATOM 1328 O PHE A 83 -5.433 4.033 -0.156 1.00 0.00 O ATOM 1329 CB PHE A 83 -8.127 5.063 0.995 1.00 0.00 C ATOM 1330 CG PHE A 83 -9.100 5.969 1.691 1.00 0.00 C ATOM 1331 CD1 PHE A 83 -8.639 7.049 2.443 1.00 0.00 C ATOM 1332 CD2 PHE A 83 -10.477 5.740 1.572 1.00 0.00 C ATOM 1333 CE1 PHE A 83 -9.530 7.890 3.064 1.00 0.00 C ATOM 1334 CE2 PHE A 83 -11.371 6.602 2.194 1.00 0.00 C ATOM 1335 CZ PHE A 83 -10.885 7.677 2.939 1.00 0.00 C ATOM 0 H PHE A 83 -7.858 6.130 -1.184 1.00 0.00 H new ATOM 0 HA PHE A 83 -6.628 6.635 1.309 1.00 0.00 H new ATOM 0 HB2 PHE A 83 -8.579 4.675 0.082 1.00 0.00 H new ATOM 0 HB3 PHE A 83 -7.909 4.206 1.632 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -7.578 7.225 2.538 1.00 0.00 H new ATOM 0 HD2 PHE A 83 -10.841 4.899 1.001 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -9.167 8.720 3.652 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -12.435 6.441 2.102 1.00 0.00 H new ATOM 0 HZ PHE A 83 -11.578 8.349 3.423 1.00 0.00 H new ATOM 1345 N VAL A 84 -5.157 4.721 1.905 1.00 0.00 N ATOM 1346 CA VAL A 84 -4.088 3.753 2.174 1.00 0.00 C ATOM 1347 C VAL A 84 -4.181 3.374 3.651 1.00 0.00 C ATOM 1348 O VAL A 84 -3.558 3.986 4.500 1.00 0.00 O ATOM 1349 CB VAL A 84 -2.749 4.464 1.885 1.00 0.00 C ATOM 1350 CG1 VAL A 84 -1.823 3.518 1.122 1.00 0.00 C ATOM 1351 CG2 VAL A 84 -2.962 5.729 1.043 1.00 0.00 C ATOM 0 H VAL A 84 -5.392 5.327 2.691 1.00 0.00 H new ATOM 0 HA VAL A 84 -4.168 2.856 1.561 1.00 0.00 H new ATOM 0 HB VAL A 84 -2.305 4.747 2.839 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -0.877 4.020 0.918 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -1.638 2.627 1.722 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -2.292 3.231 0.181 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -2.001 6.208 0.856 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -3.424 5.460 0.093 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -3.612 6.419 1.581 1.00 0.00 H new ATOM 1361 N LYS A 85 -4.951 2.375 3.977 1.00 0.00 N ATOM 1362 CA LYS A 85 -5.051 1.980 5.414 1.00 0.00 C ATOM 1363 C LYS A 85 -3.820 1.143 5.740 1.00 0.00 C ATOM 1364 O LYS A 85 -3.575 0.137 5.112 1.00 0.00 O ATOM 1365 CB LYS A 85 -6.348 1.184 5.552 1.00 0.00 C ATOM 1366 CG LYS A 85 -7.549 2.136 5.461 1.00 0.00 C ATOM 1367 CD LYS A 85 -7.594 3.040 6.699 1.00 0.00 C ATOM 1368 CE LYS A 85 -8.485 4.258 6.421 1.00 0.00 C ATOM 1369 NZ LYS A 85 -9.858 3.854 6.851 1.00 0.00 N ATOM 0 H LYS A 85 -5.508 1.821 3.326 1.00 0.00 H new ATOM 0 HA LYS A 85 -5.078 2.824 6.103 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -6.409 0.430 4.767 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -6.362 0.655 6.505 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -7.475 2.743 4.559 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -8.473 1.563 5.385 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -7.979 2.483 7.553 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -6.587 3.366 6.959 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -8.141 5.131 6.976 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -8.467 4.524 5.364 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -10.518 4.641 6.689 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -10.164 3.026 6.301 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -9.848 3.614 7.863 1.00 0.00 H new ATOM 1383 N LYS A 86 -3.011 1.612 6.654 1.00 0.00 N ATOM 1384 CA LYS A 86 -1.750 0.958 6.988 1.00 0.00 C ATOM 1385 C LYS A 86 -1.903 -0.324 7.760 1.00 0.00 C ATOM 1386 O LYS A 86 -2.852 -0.586 8.465 1.00 0.00 O ATOM 1387 CB LYS A 86 -0.976 1.979 7.845 1.00 0.00 C ATOM 1388 CG LYS A 86 -1.823 2.461 9.041 1.00 0.00 C ATOM 1389 CD LYS A 86 -1.522 1.609 10.279 1.00 0.00 C ATOM 1390 CE LYS A 86 -2.766 0.786 10.644 1.00 0.00 C ATOM 1391 NZ LYS A 86 -3.262 1.352 11.932 1.00 0.00 N ATOM 0 H LYS A 86 -3.198 2.457 7.194 1.00 0.00 H new ATOM 0 HA LYS A 86 -1.241 0.675 6.066 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -0.053 1.527 8.208 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -0.692 2.833 7.230 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -1.607 3.509 9.250 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -2.883 2.397 8.795 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -0.679 0.947 10.083 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -1.237 2.249 11.114 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -3.526 0.859 9.866 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -2.519 -0.270 10.750 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -4.111 0.833 12.235 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -2.523 1.262 12.658 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -3.499 2.356 11.802 1.00 0.00 H new ATOM 1405 N GLU A 87 -0.886 -1.072 7.611 1.00 0.00 N ATOM 1406 CA GLU A 87 -0.717 -2.392 8.287 1.00 0.00 C ATOM 1407 C GLU A 87 0.775 -2.805 8.212 1.00 0.00 C ATOM 1408 O GLU A 87 1.468 -2.528 7.230 1.00 0.00 O ATOM 1409 CB GLU A 87 -1.627 -3.363 7.541 1.00 0.00 C ATOM 1410 CG GLU A 87 -2.967 -3.475 8.273 1.00 0.00 C ATOM 1411 CD GLU A 87 -4.112 -3.486 7.257 1.00 0.00 C ATOM 1412 OE1 GLU A 87 -4.252 -2.516 6.528 1.00 0.00 O ATOM 1413 OE2 GLU A 87 -4.837 -4.463 7.228 1.00 0.00 O ATOM 0 H GLU A 87 -0.100 -0.822 7.011 1.00 0.00 H new ATOM 0 HA GLU A 87 -0.987 -2.372 9.343 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -1.787 -3.016 6.520 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -1.154 -4.343 7.475 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -2.990 -4.386 8.871 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -3.087 -2.638 8.961 1.00 0.00 H new ATOM 1420 N ARG A 88 1.274 -3.437 9.251 1.00 0.00 N ATOM 1421 CA ARG A 88 2.731 -3.813 9.313 1.00 0.00 C ATOM 1422 C ARG A 88 3.196 -4.643 8.113 1.00 0.00 C ATOM 1423 O ARG A 88 2.752 -5.749 7.882 1.00 0.00 O ATOM 1424 CB ARG A 88 2.869 -4.641 10.597 1.00 0.00 C ATOM 1425 CG ARG A 88 3.164 -3.716 11.780 1.00 0.00 C ATOM 1426 CD ARG A 88 1.858 -3.364 12.501 1.00 0.00 C ATOM 1427 NE ARG A 88 2.256 -3.103 13.913 1.00 0.00 N ATOM 1428 CZ ARG A 88 2.489 -1.882 14.315 1.00 0.00 C ATOM 1429 NH1 ARG A 88 3.561 -1.260 13.905 1.00 0.00 N ATOM 1430 NH2 ARG A 88 1.647 -1.290 15.119 1.00 0.00 N ATOM 0 H ARG A 88 0.730 -3.712 10.069 1.00 0.00 H new ATOM 0 HA ARG A 88 3.350 -2.916 9.300 1.00 0.00 H new ATOM 0 HB2 ARG A 88 1.952 -5.200 10.781 1.00 0.00 H new ATOM 0 HB3 ARG A 88 3.671 -5.371 10.486 1.00 0.00 H new ATOM 0 HG2 ARG A 88 3.852 -4.203 12.471 1.00 0.00 H new ATOM 0 HG3 ARG A 88 3.653 -2.807 11.430 1.00 0.00 H new ATOM 0 HD2 ARG A 88 1.385 -2.489 12.056 1.00 0.00 H new ATOM 0 HD3 ARG A 88 1.140 -4.181 12.438 1.00 0.00 H new ATOM 0 HE ARG A 88 2.347 -3.880 14.568 1.00 0.00 H new ATOM 0 HH11 ARG A 88 4.212 -1.727 13.274 1.00 0.00 H new ATOM 0 HH12 ARG A 88 3.748 -0.307 14.216 1.00 0.00 H new ATOM 0 HH21 ARG A 88 0.809 -1.781 15.432 1.00 0.00 H new ATOM 0 HH22 ARG A 88 1.827 -0.337 15.434 1.00 0.00 H new ATOM 1444 N ILE A 89 4.123 -4.086 7.366 1.00 0.00 N ATOM 1445 CA ILE A 89 4.683 -4.781 6.168 1.00 0.00 C ATOM 1446 C ILE A 89 5.794 -5.756 6.587 1.00 0.00 C ATOM 1447 O ILE A 89 6.897 -5.352 6.911 1.00 0.00 O ATOM 1448 CB ILE A 89 5.263 -3.649 5.302 1.00 0.00 C ATOM 1449 CG1 ILE A 89 4.140 -2.695 4.873 1.00 0.00 C ATOM 1450 CG2 ILE A 89 5.942 -4.236 4.060 1.00 0.00 C ATOM 1451 CD1 ILE A 89 4.702 -1.635 3.924 1.00 0.00 C ATOM 0 H ILE A 89 4.519 -3.163 7.542 1.00 0.00 H new ATOM 0 HA ILE A 89 3.932 -5.367 5.638 1.00 0.00 H new ATOM 0 HB ILE A 89 6.000 -3.098 5.886 1.00 0.00 H new ATOM 0 HG12 ILE A 89 3.343 -3.253 4.381 1.00 0.00 H new ATOM 0 HG13 ILE A 89 3.700 -2.217 5.749 1.00 0.00 H new ATOM 0 HG21 ILE A 89 6.350 -3.428 3.452 1.00 0.00 H new ATOM 0 HG22 ILE A 89 6.748 -4.902 4.367 1.00 0.00 H new ATOM 0 HG23 ILE A 89 5.211 -4.796 3.476 1.00 0.00 H new ATOM 0 HD11 ILE A 89 3.903 -0.958 3.620 1.00 0.00 H new ATOM 0 HD12 ILE A 89 5.483 -1.069 4.432 1.00 0.00 H new ATOM 0 HD13 ILE A 89 5.121 -2.121 3.043 1.00 0.00 H new ATOM 1463 N GLU A 90 5.516 -7.032 6.561 1.00 0.00 N ATOM 1464 CA GLU A 90 6.555 -8.041 6.938 1.00 0.00 C ATOM 1465 C GLU A 90 7.428 -8.345 5.714 1.00 0.00 C ATOM 1466 O GLU A 90 6.930 -8.739 4.677 1.00 0.00 O ATOM 1467 CB GLU A 90 5.767 -9.287 7.369 1.00 0.00 C ATOM 1468 CG GLU A 90 4.673 -8.893 8.374 1.00 0.00 C ATOM 1469 CD GLU A 90 3.289 -9.054 7.734 1.00 0.00 C ATOM 1470 OE1 GLU A 90 3.090 -8.556 6.632 1.00 0.00 O ATOM 1471 OE2 GLU A 90 2.443 -9.668 8.364 1.00 0.00 O ATOM 0 H GLU A 90 4.612 -7.423 6.294 1.00 0.00 H new ATOM 0 HA GLU A 90 7.215 -7.694 7.733 1.00 0.00 H new ATOM 0 HB2 GLU A 90 5.318 -9.763 6.497 1.00 0.00 H new ATOM 0 HB3 GLU A 90 6.441 -10.016 7.819 1.00 0.00 H new ATOM 0 HG2 GLU A 90 4.745 -9.516 9.265 1.00 0.00 H new ATOM 0 HG3 GLU A 90 4.817 -7.861 8.694 1.00 0.00 H new ATOM 1478 N LYS A 91 8.722 -8.155 5.808 1.00 0.00 N ATOM 1479 CA LYS A 91 9.593 -8.426 4.619 1.00 0.00 C ATOM 1480 C LYS A 91 10.912 -9.091 5.013 1.00 0.00 C ATOM 1481 O LYS A 91 11.191 -9.338 6.170 1.00 0.00 O ATOM 1482 CB LYS A 91 9.917 -7.054 4.015 1.00 0.00 C ATOM 1483 CG LYS A 91 8.647 -6.233 3.775 1.00 0.00 C ATOM 1484 CD LYS A 91 8.948 -5.103 2.775 1.00 0.00 C ATOM 1485 CE LYS A 91 10.358 -4.528 3.017 1.00 0.00 C ATOM 1486 NZ LYS A 91 10.338 -3.954 4.400 1.00 0.00 N ATOM 0 H LYS A 91 9.208 -7.829 6.643 1.00 0.00 H new ATOM 0 HA LYS A 91 9.077 -9.096 3.931 1.00 0.00 H new ATOM 0 HB2 LYS A 91 10.583 -6.509 4.684 1.00 0.00 H new ATOM 0 HB3 LYS A 91 10.449 -7.186 3.073 1.00 0.00 H new ATOM 0 HG2 LYS A 91 7.855 -6.874 3.388 1.00 0.00 H new ATOM 0 HG3 LYS A 91 8.288 -5.815 4.716 1.00 0.00 H new ATOM 0 HD2 LYS A 91 8.874 -5.482 1.756 1.00 0.00 H new ATOM 0 HD3 LYS A 91 8.204 -4.313 2.876 1.00 0.00 H new ATOM 0 HE2 LYS A 91 11.117 -5.305 2.928 1.00 0.00 H new ATOM 0 HE3 LYS A 91 10.599 -3.762 2.280 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 10.665 -2.967 4.371 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 9.369 -3.986 4.775 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 10.966 -4.509 5.015 1.00 0.00 H new ATOM 1500 N LEU A 92 11.726 -9.352 4.023 1.00 0.00 N ATOM 1501 CA LEU A 92 13.059 -9.968 4.247 1.00 0.00 C ATOM 1502 C LEU A 92 14.026 -8.888 4.749 1.00 0.00 C ATOM 1503 O LEU A 92 13.646 -7.745 4.939 1.00 0.00 O ATOM 1504 CB LEU A 92 13.503 -10.488 2.869 1.00 0.00 C ATOM 1505 CG LEU A 92 13.760 -9.314 1.914 1.00 0.00 C ATOM 1506 CD1 LEU A 92 15.260 -9.027 1.840 1.00 0.00 C ATOM 1507 CD2 LEU A 92 13.248 -9.674 0.519 1.00 0.00 C ATOM 0 H LEU A 92 11.512 -9.157 3.045 1.00 0.00 H new ATOM 0 HA LEU A 92 13.037 -10.769 4.985 1.00 0.00 H new ATOM 0 HB2 LEU A 92 14.408 -11.086 2.973 1.00 0.00 H new ATOM 0 HB3 LEU A 92 12.735 -11.141 2.455 1.00 0.00 H new ATOM 0 HG LEU A 92 13.239 -8.430 2.282 1.00 0.00 H new ATOM 0 HD11 LEU A 92 15.438 -8.193 1.161 1.00 0.00 H new ATOM 0 HD12 LEU A 92 15.631 -8.772 2.833 1.00 0.00 H new ATOM 0 HD13 LEU A 92 15.782 -9.911 1.473 1.00 0.00 H new ATOM 0 HD21 LEU A 92 13.429 -8.842 -0.161 1.00 0.00 H new ATOM 0 HD22 LEU A 92 13.771 -10.559 0.157 1.00 0.00 H new ATOM 0 HD23 LEU A 92 12.178 -9.878 0.565 1.00 0.00 H new ATOM 1519 N GLU A 93 15.267 -9.230 4.937 1.00 0.00 N ATOM 1520 CA GLU A 93 16.264 -8.218 5.401 1.00 0.00 C ATOM 1521 C GLU A 93 16.975 -7.603 4.184 1.00 0.00 C ATOM 1522 O GLU A 93 17.776 -8.293 3.569 1.00 0.00 O ATOM 1523 CB GLU A 93 17.248 -8.992 6.291 1.00 0.00 C ATOM 1524 CG GLU A 93 17.407 -8.270 7.636 1.00 0.00 C ATOM 1525 CD GLU A 93 16.139 -8.446 8.477 1.00 0.00 C ATOM 1526 OE1 GLU A 93 15.889 -9.560 8.909 1.00 0.00 O ATOM 1527 OE2 GLU A 93 15.444 -7.464 8.678 1.00 0.00 O ATOM 1528 OXT GLU A 93 16.690 -6.458 3.874 1.00 0.00 O ATOM 0 H GLU A 93 15.639 -10.168 4.790 1.00 0.00 H new ATOM 0 HA GLU A 93 15.805 -7.396 5.951 1.00 0.00 H new ATOM 0 HB2 GLU A 93 16.886 -10.007 6.453 1.00 0.00 H new ATOM 0 HB3 GLU A 93 18.215 -9.074 5.795 1.00 0.00 H new ATOM 0 HG2 GLU A 93 18.268 -8.669 8.173 1.00 0.00 H new ATOM 0 HG3 GLU A 93 17.599 -7.210 7.469 1.00 0.00 H new TER 1535 GLU A 93