USER MOD reduce.3.24.130724 H: found=0, std=0, add=597, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 595 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 Single : A 1 CYS N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 CYS SG : rot -49:sc= 0.0246 USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 ASN : amide:sc= -0.541 X(o=-0.54,f=-0.082) USER MOD Single : A 5 LYS NZ :NH3+ 161:sc= -0.0188 (180deg=-0.375) USER MOD Single : A 10 HIS : no HD1:sc= -0.913 X(o=-0.91,f=-1.4) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0594) USER MOD Single : A 22 LYS NZ :NH3+ 148:sc= -0.29 (180deg=-0.91) USER MOD Single : A 24 SER OG : rot 180:sc= -0.0339 USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot -99:sc= 0.335! USER MOD Single : A 31 GLN : amide:sc=-0.00105 K(o=-0.001,f=-1.1) USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 THR OG1 : rot 180:sc= -0.0183 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 ASN :FLIP amide:sc= -1.4 F(o=-5.7!,f=-1.4) USER MOD Single : A 46 HIS : no HD1:sc= -0.191 X(o=-0.19,f=-0.0077) USER MOD Single : A 49 LYS NZ :NH3+ -153:sc= -2.56 (180deg=-4.26!) USER MOD Single : A 52 GLN : amide:sc= -0.119 K(o=-0.12,f=-2.4!) USER MOD Single : A 56 ASN : amide:sc= -0.182 X(o=-0.18,f=0) USER MOD Single : A 60 THR OG1 : rot 180:sc= -0.129 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 SER OG : rot -43:sc= -2.25! USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 GLN : amide:sc= -0.0919 X(o=-0.092,f=-0.092) USER MOD ----------------------------------------------------------------- ATOM 1 N CYS A 1 17.159 13.242 4.549 1.00 0.00 N ATOM 2 CA CYS A 1 18.071 14.218 3.891 1.00 0.00 C ATOM 3 C CYS A 1 18.826 13.520 2.760 1.00 0.00 C ATOM 4 O CYS A 1 20.040 13.505 2.724 1.00 0.00 O ATOM 5 CB CYS A 1 19.067 14.758 4.920 1.00 0.00 C ATOM 6 SG CYS A 1 20.221 15.895 4.111 1.00 0.00 S ATOM 0 H1 CYS A 1 16.643 13.714 5.319 1.00 0.00 H new ATOM 0 H2 CYS A 1 16.480 12.876 3.851 1.00 0.00 H new ATOM 0 H3 CYS A 1 17.716 12.454 4.937 1.00 0.00 H new ATOM 0 HA CYS A 1 17.491 15.046 3.483 1.00 0.00 H new ATOM 0 HB2 CYS A 1 18.535 15.272 5.720 1.00 0.00 H new ATOM 0 HB3 CYS A 1 19.614 13.934 5.379 1.00 0.00 H new ATOM 0 HG CYS A 1 20.698 15.338 3.037 1.00 0.00 H new ATOM 14 N SER A 2 18.112 12.937 1.837 1.00 0.00 N ATOM 15 CA SER A 2 18.781 12.234 0.707 1.00 0.00 C ATOM 16 C SER A 2 17.792 12.073 -0.450 1.00 0.00 C ATOM 17 O SER A 2 17.988 12.605 -1.526 1.00 0.00 O ATOM 18 CB SER A 2 19.247 10.856 1.172 1.00 0.00 C ATOM 19 OG SER A 2 19.954 10.216 0.116 1.00 0.00 O ATOM 0 H SER A 2 17.092 12.917 1.817 1.00 0.00 H new ATOM 0 HA SER A 2 19.640 12.816 0.373 1.00 0.00 H new ATOM 0 HB2 SER A 2 19.889 10.953 2.048 1.00 0.00 H new ATOM 0 HB3 SER A 2 18.390 10.251 1.470 1.00 0.00 H new ATOM 0 HG SER A 2 20.256 9.332 0.413 1.00 0.00 H new ATOM 25 N ASN A 3 16.727 11.336 -0.234 1.00 0.00 N ATOM 26 CA ASN A 3 15.709 11.121 -1.312 1.00 0.00 C ATOM 27 C ASN A 3 14.371 11.720 -0.881 1.00 0.00 C ATOM 28 O ASN A 3 13.434 11.781 -1.653 1.00 0.00 O ATOM 29 CB ASN A 3 15.528 9.609 -1.543 1.00 0.00 C ATOM 30 CG ASN A 3 14.927 9.367 -2.931 1.00 0.00 C ATOM 31 OD1 ASN A 3 14.010 8.585 -3.080 1.00 0.00 O ATOM 32 ND2 ASN A 3 15.409 10.010 -3.957 1.00 0.00 N ATOM 0 H ASN A 3 16.519 10.871 0.650 1.00 0.00 H new ATOM 0 HA ASN A 3 16.047 11.602 -2.230 1.00 0.00 H new ATOM 0 HB2 ASN A 3 16.489 9.101 -1.458 1.00 0.00 H new ATOM 0 HB3 ASN A 3 14.877 9.190 -0.776 1.00 0.00 H new ATOM 0 HD21 ASN A 3 15.016 9.857 -4.886 1.00 0.00 H new ATOM 0 HD22 ASN A 3 16.179 10.667 -3.831 1.00 0.00 H new ATOM 39 N GLU A 4 14.257 12.139 0.352 1.00 0.00 N ATOM 40 CA GLU A 4 12.958 12.697 0.814 1.00 0.00 C ATOM 41 C GLU A 4 11.882 11.654 0.489 1.00 0.00 C ATOM 42 O GLU A 4 12.175 10.478 0.430 1.00 0.00 O ATOM 43 CB GLU A 4 12.682 14.034 0.087 1.00 0.00 C ATOM 44 CG GLU A 4 11.911 15.003 0.998 1.00 0.00 C ATOM 45 CD GLU A 4 11.878 16.392 0.353 1.00 0.00 C ATOM 46 OE1 GLU A 4 12.789 16.694 -0.402 1.00 0.00 O ATOM 47 OE2 GLU A 4 10.945 17.130 0.624 1.00 0.00 O ATOM 0 H GLU A 4 15.000 12.119 1.050 1.00 0.00 H new ATOM 0 HA GLU A 4 12.965 12.903 1.884 1.00 0.00 H new ATOM 0 HB2 GLU A 4 13.625 14.488 -0.219 1.00 0.00 H new ATOM 0 HB3 GLU A 4 12.108 13.848 -0.821 1.00 0.00 H new ATOM 0 HG2 GLU A 4 10.896 14.640 1.157 1.00 0.00 H new ATOM 0 HG3 GLU A 4 12.388 15.056 1.977 1.00 0.00 H new ATOM 54 N LYS A 5 10.657 12.050 0.273 1.00 0.00 N ATOM 55 CA LYS A 5 9.598 11.039 -0.049 1.00 0.00 C ATOM 56 C LYS A 5 9.707 9.860 0.930 1.00 0.00 C ATOM 57 O LYS A 5 9.131 9.874 2.001 1.00 0.00 O ATOM 58 CB LYS A 5 9.805 10.529 -1.485 1.00 0.00 C ATOM 59 CG LYS A 5 9.273 11.556 -2.495 1.00 0.00 C ATOM 60 CD LYS A 5 10.158 12.804 -2.489 1.00 0.00 C ATOM 61 CE LYS A 5 9.864 13.645 -3.732 1.00 0.00 C ATOM 62 NZ LYS A 5 8.397 13.885 -3.839 1.00 0.00 N ATOM 0 H LYS A 5 10.341 13.019 0.304 1.00 0.00 H new ATOM 0 HA LYS A 5 8.613 11.498 0.039 1.00 0.00 H new ATOM 0 HB2 LYS A 5 10.865 10.347 -1.665 1.00 0.00 H new ATOM 0 HB3 LYS A 5 9.291 9.577 -1.618 1.00 0.00 H new ATOM 0 HG2 LYS A 5 9.253 11.119 -3.494 1.00 0.00 H new ATOM 0 HG3 LYS A 5 8.247 11.827 -2.245 1.00 0.00 H new ATOM 0 HD2 LYS A 5 9.973 13.390 -1.589 1.00 0.00 H new ATOM 0 HD3 LYS A 5 11.209 12.517 -2.472 1.00 0.00 H new ATOM 0 HE2 LYS A 5 10.395 14.595 -3.674 1.00 0.00 H new ATOM 0 HE3 LYS A 5 10.225 13.132 -4.624 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 8.223 14.695 -4.467 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 7.934 13.039 -4.229 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 8.009 14.088 -2.896 1.00 0.00 H new ATOM 76 N ALA A 6 10.452 8.843 0.572 1.00 0.00 N ATOM 77 CA ALA A 6 10.606 7.669 1.479 1.00 0.00 C ATOM 78 C ALA A 6 11.615 6.681 0.889 1.00 0.00 C ATOM 79 O ALA A 6 12.346 6.997 -0.031 1.00 0.00 O ATOM 80 CB ALA A 6 9.259 6.973 1.628 1.00 0.00 C ATOM 0 H ALA A 6 10.960 8.777 -0.310 1.00 0.00 H new ATOM 0 HA ALA A 6 10.962 8.011 2.451 1.00 0.00 H new ATOM 0 HB1 ALA A 6 9.365 6.114 2.290 1.00 0.00 H new ATOM 0 HB2 ALA A 6 8.534 7.669 2.050 1.00 0.00 H new ATOM 0 HB3 ALA A 6 8.913 6.637 0.650 1.00 0.00 H new ATOM 86 N ARG A 7 11.651 5.479 1.409 1.00 0.00 N ATOM 87 CA ARG A 7 12.598 4.452 0.880 1.00 0.00 C ATOM 88 C ARG A 7 11.888 3.616 -0.180 1.00 0.00 C ATOM 89 O ARG A 7 12.395 2.608 -0.621 1.00 0.00 O ATOM 90 CB ARG A 7 13.026 3.504 2.007 1.00 0.00 C ATOM 91 CG ARG A 7 13.502 4.289 3.227 1.00 0.00 C ATOM 92 CD ARG A 7 14.707 5.176 2.867 1.00 0.00 C ATOM 93 NE ARG A 7 14.225 6.522 2.447 1.00 0.00 N ATOM 94 CZ ARG A 7 15.051 7.532 2.444 1.00 0.00 C ATOM 95 NH1 ARG A 7 16.292 7.364 2.805 1.00 0.00 N ATOM 96 NH2 ARG A 7 14.635 8.713 2.075 1.00 0.00 N ATOM 0 H ARG A 7 11.062 5.165 2.180 1.00 0.00 H new ATOM 0 HA ARG A 7 13.468 4.959 0.462 1.00 0.00 H new ATOM 0 HB2 ARG A 7 12.190 2.863 2.286 1.00 0.00 H new ATOM 0 HB3 ARG A 7 13.825 2.851 1.655 1.00 0.00 H new ATOM 0 HG2 ARG A 7 12.689 4.908 3.607 1.00 0.00 H new ATOM 0 HG3 ARG A 7 13.777 3.599 4.025 1.00 0.00 H new ATOM 0 HD2 ARG A 7 15.374 5.268 3.725 1.00 0.00 H new ATOM 0 HD3 ARG A 7 15.283 4.717 2.063 1.00 0.00 H new ATOM 0 HE ARG A 7 13.254 6.653 2.163 1.00 0.00 H new ATOM 0 HH11 ARG A 7 16.620 6.441 3.091 1.00 0.00 H new ATOM 0 HH12 ARG A 7 16.936 8.155 2.802 1.00 0.00 H new ATOM 0 HH21 ARG A 7 13.665 8.846 1.789 1.00 0.00 H new ATOM 0 HH22 ARG A 7 15.280 9.503 2.072 1.00 0.00 H new ATOM 110 N ASP A 8 10.706 4.005 -0.575 1.00 0.00 N ATOM 111 CA ASP A 8 9.963 3.187 -1.576 1.00 0.00 C ATOM 112 C ASP A 8 8.903 4.041 -2.284 1.00 0.00 C ATOM 113 O ASP A 8 9.116 5.196 -2.602 1.00 0.00 O ATOM 114 CB ASP A 8 9.250 2.042 -0.840 1.00 0.00 C ATOM 115 CG ASP A 8 10.224 1.328 0.107 1.00 0.00 C ATOM 116 OD1 ASP A 8 11.121 0.663 -0.382 1.00 0.00 O ATOM 117 OD2 ASP A 8 10.054 1.461 1.308 1.00 0.00 O ATOM 0 H ASP A 8 10.226 4.845 -0.252 1.00 0.00 H new ATOM 0 HA ASP A 8 10.666 2.801 -2.314 1.00 0.00 H new ATOM 0 HB2 ASP A 8 8.405 2.435 -0.275 1.00 0.00 H new ATOM 0 HB3 ASP A 8 8.848 1.331 -1.562 1.00 0.00 H new ATOM 122 N TRP A 9 7.757 3.463 -2.527 1.00 0.00 N ATOM 123 CA TRP A 9 6.652 4.187 -3.218 1.00 0.00 C ATOM 124 C TRP A 9 6.121 5.302 -2.314 1.00 0.00 C ATOM 125 O TRP A 9 5.468 5.046 -1.321 1.00 0.00 O ATOM 126 CB TRP A 9 5.512 3.197 -3.481 1.00 0.00 C ATOM 127 CG TRP A 9 5.916 2.156 -4.485 1.00 0.00 C ATOM 128 CD1 TRP A 9 7.048 1.400 -4.445 1.00 0.00 C ATOM 129 CD2 TRP A 9 5.163 1.686 -5.640 1.00 0.00 C ATOM 130 NE1 TRP A 9 7.059 0.550 -5.535 1.00 0.00 N ATOM 131 CE2 TRP A 9 5.917 0.677 -6.295 1.00 0.00 C ATOM 132 CE3 TRP A 9 3.914 2.054 -6.190 1.00 0.00 C ATOM 133 CZ2 TRP A 9 5.448 0.048 -7.454 1.00 0.00 C ATOM 134 CZ3 TRP A 9 3.435 1.418 -7.356 1.00 0.00 C ATOM 135 CH2 TRP A 9 4.201 0.419 -7.987 1.00 0.00 C ATOM 0 H TRP A 9 7.537 2.501 -2.270 1.00 0.00 H new ATOM 0 HA TRP A 9 7.022 4.613 -4.151 1.00 0.00 H new ATOM 0 HB2 TRP A 9 5.225 2.713 -2.547 1.00 0.00 H new ATOM 0 HB3 TRP A 9 4.636 3.735 -3.844 1.00 0.00 H new ATOM 0 HD1 TRP A 9 7.813 1.456 -3.685 1.00 0.00 H new ATOM 0 HE1 TRP A 9 7.821 -0.093 -5.751 1.00 0.00 H new ATOM 0 HE3 TRP A 9 3.324 2.825 -5.717 1.00 0.00 H new ATOM 0 HZ2 TRP A 9 6.040 -0.717 -7.935 1.00 0.00 H new ATOM 0 HZ3 TRP A 9 2.476 1.699 -7.766 1.00 0.00 H new ATOM 0 HH2 TRP A 9 3.831 -0.062 -8.880 1.00 0.00 H new ATOM 146 N HIS A 10 6.365 6.538 -2.656 1.00 0.00 N ATOM 147 CA HIS A 10 5.843 7.648 -1.811 1.00 0.00 C ATOM 148 C HIS A 10 4.342 7.444 -1.604 1.00 0.00 C ATOM 149 O HIS A 10 3.708 6.693 -2.315 1.00 0.00 O ATOM 150 CB HIS A 10 6.082 8.992 -2.502 1.00 0.00 C ATOM 151 CG HIS A 10 5.674 10.099 -1.569 1.00 0.00 C ATOM 152 ND1 HIS A 10 6.179 10.196 -0.281 1.00 0.00 N ATOM 153 CD2 HIS A 10 4.808 11.154 -1.713 1.00 0.00 C ATOM 154 CE1 HIS A 10 5.615 11.274 0.294 1.00 0.00 C ATOM 155 NE2 HIS A 10 4.773 11.895 -0.536 1.00 0.00 N ATOM 0 H HIS A 10 6.898 6.825 -3.477 1.00 0.00 H new ATOM 0 HA HIS A 10 6.359 7.648 -0.851 1.00 0.00 H new ATOM 0 HB2 HIS A 10 7.133 9.095 -2.772 1.00 0.00 H new ATOM 0 HB3 HIS A 10 5.508 9.048 -3.427 1.00 0.00 H new ATOM 0 HD2 HIS A 10 4.240 11.375 -2.605 1.00 0.00 H new ATOM 0 HE1 HIS A 10 5.819 11.598 1.304 1.00 0.00 H new ATOM 0 HE2 HIS A 10 4.222 12.733 -0.347 1.00 0.00 H new ATOM 163 N ARG A 11 3.766 8.104 -0.639 1.00 0.00 N ATOM 164 CA ARG A 11 2.302 7.939 -0.399 1.00 0.00 C ATOM 165 C ARG A 11 1.540 8.182 -1.705 1.00 0.00 C ATOM 166 O ARG A 11 0.533 7.561 -1.972 1.00 0.00 O ATOM 167 CB ARG A 11 1.847 8.948 0.656 1.00 0.00 C ATOM 168 CG ARG A 11 2.684 8.759 1.921 1.00 0.00 C ATOM 169 CD ARG A 11 2.043 9.515 3.087 1.00 0.00 C ATOM 170 NE ARG A 11 3.070 9.739 4.139 1.00 0.00 N ATOM 171 CZ ARG A 11 2.833 10.560 5.122 1.00 0.00 C ATOM 172 NH1 ARG A 11 1.672 11.146 5.216 1.00 0.00 N ATOM 173 NH2 ARG A 11 3.751 10.787 6.017 1.00 0.00 N ATOM 0 H ARG A 11 4.241 8.748 -0.007 1.00 0.00 H new ATOM 0 HA ARG A 11 2.100 6.928 -0.047 1.00 0.00 H new ATOM 0 HB2 ARG A 11 1.960 9.964 0.278 1.00 0.00 H new ATOM 0 HB3 ARG A 11 0.790 8.807 0.880 1.00 0.00 H new ATOM 0 HG2 ARG A 11 2.761 7.699 2.162 1.00 0.00 H new ATOM 0 HG3 ARG A 11 3.698 9.122 1.754 1.00 0.00 H new ATOM 0 HD2 ARG A 11 1.642 10.468 2.743 1.00 0.00 H new ATOM 0 HD3 ARG A 11 1.207 8.945 3.492 1.00 0.00 H new ATOM 0 HE ARG A 11 3.963 9.248 4.091 1.00 0.00 H new ATOM 0 HH11 ARG A 11 0.950 10.961 4.520 1.00 0.00 H new ATOM 0 HH12 ARG A 11 1.486 11.789 5.986 1.00 0.00 H new ATOM 0 HH21 ARG A 11 4.656 10.322 5.948 1.00 0.00 H new ATOM 0 HH22 ARG A 11 3.565 11.430 6.787 1.00 0.00 H new ATOM 187 N ALA A 12 2.016 9.083 -2.515 1.00 0.00 N ATOM 188 CA ALA A 12 1.325 9.372 -3.805 1.00 0.00 C ATOM 189 C ALA A 12 1.643 8.270 -4.815 1.00 0.00 C ATOM 190 O ALA A 12 0.875 8.000 -5.709 1.00 0.00 O ATOM 191 CB ALA A 12 1.815 10.714 -4.345 1.00 0.00 C ATOM 0 H ALA A 12 2.856 9.635 -2.341 1.00 0.00 H new ATOM 0 HA ALA A 12 0.248 9.411 -3.643 1.00 0.00 H new ATOM 0 HB1 ALA A 12 1.314 10.932 -5.288 1.00 0.00 H new ATOM 0 HB2 ALA A 12 1.590 11.500 -3.625 1.00 0.00 H new ATOM 0 HB3 ALA A 12 2.892 10.669 -4.508 1.00 0.00 H new ATOM 197 N ASP A 13 2.765 7.628 -4.680 1.00 0.00 N ATOM 198 CA ASP A 13 3.104 6.540 -5.637 1.00 0.00 C ATOM 199 C ASP A 13 2.159 5.372 -5.385 1.00 0.00 C ATOM 200 O ASP A 13 1.879 4.578 -6.260 1.00 0.00 O ATOM 201 CB ASP A 13 4.549 6.103 -5.422 1.00 0.00 C ATOM 202 CG ASP A 13 5.496 7.148 -6.014 1.00 0.00 C ATOM 203 OD1 ASP A 13 5.166 8.321 -5.955 1.00 0.00 O ATOM 204 OD2 ASP A 13 6.537 6.758 -6.519 1.00 0.00 O ATOM 0 H ASP A 13 3.459 7.806 -3.954 1.00 0.00 H new ATOM 0 HA ASP A 13 2.996 6.889 -6.664 1.00 0.00 H new ATOM 0 HB2 ASP A 13 4.747 5.980 -4.357 1.00 0.00 H new ATOM 0 HB3 ASP A 13 4.720 5.135 -5.892 1.00 0.00 H new ATOM 209 N VAL A 14 1.649 5.280 -4.192 1.00 0.00 N ATOM 210 CA VAL A 14 0.707 4.184 -3.866 1.00 0.00 C ATOM 211 C VAL A 14 -0.659 4.503 -4.480 1.00 0.00 C ATOM 212 O VAL A 14 -1.199 3.733 -5.243 1.00 0.00 O ATOM 213 CB VAL A 14 0.574 4.087 -2.343 1.00 0.00 C ATOM 214 CG1 VAL A 14 -0.578 3.149 -1.975 1.00 0.00 C ATOM 215 CG2 VAL A 14 1.881 3.557 -1.751 1.00 0.00 C ATOM 0 H VAL A 14 1.847 5.923 -3.425 1.00 0.00 H new ATOM 0 HA VAL A 14 1.074 3.238 -4.265 1.00 0.00 H new ATOM 0 HB VAL A 14 0.366 5.077 -1.938 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -0.664 3.087 -0.890 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -1.509 3.535 -2.391 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -0.383 2.156 -2.381 1.00 0.00 H new ATOM 0 HG21 VAL A 14 1.788 3.488 -0.667 1.00 0.00 H new ATOM 0 HG22 VAL A 14 2.092 2.569 -2.161 1.00 0.00 H new ATOM 0 HG23 VAL A 14 2.696 4.236 -2.002 1.00 0.00 H new ATOM 225 N ILE A 15 -1.217 5.632 -4.148 1.00 0.00 N ATOM 226 CA ILE A 15 -2.556 5.997 -4.695 1.00 0.00 C ATOM 227 C ILE A 15 -2.440 6.472 -6.148 1.00 0.00 C ATOM 228 O ILE A 15 -3.213 6.082 -6.989 1.00 0.00 O ATOM 229 CB ILE A 15 -3.179 7.102 -3.840 1.00 0.00 C ATOM 230 CG1 ILE A 15 -3.151 6.670 -2.365 1.00 0.00 C ATOM 231 CG2 ILE A 15 -4.630 7.319 -4.280 1.00 0.00 C ATOM 232 CD1 ILE A 15 -3.543 7.840 -1.458 1.00 0.00 C ATOM 0 H ILE A 15 -0.804 6.321 -3.520 1.00 0.00 H new ATOM 0 HA ILE A 15 -3.192 5.112 -4.670 1.00 0.00 H new ATOM 0 HB ILE A 15 -2.618 8.029 -3.962 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -3.836 5.837 -2.211 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -2.154 6.316 -2.102 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -5.080 8.106 -3.674 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -4.652 7.612 -5.330 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -5.192 6.394 -4.149 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -3.518 7.518 -0.417 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -2.841 8.662 -1.600 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -4.549 8.175 -1.710 1.00 0.00 H new ATOM 244 N ALA A 16 -1.496 7.309 -6.467 1.00 0.00 N ATOM 245 CA ALA A 16 -1.395 7.758 -7.886 1.00 0.00 C ATOM 246 C ALA A 16 -1.292 6.525 -8.786 1.00 0.00 C ATOM 247 O ALA A 16 -2.045 6.360 -9.725 1.00 0.00 O ATOM 248 CB ALA A 16 -0.157 8.635 -8.081 1.00 0.00 C ATOM 0 H ALA A 16 -0.803 7.696 -5.826 1.00 0.00 H new ATOM 0 HA ALA A 16 -2.279 8.341 -8.143 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -0.098 8.954 -9.121 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -0.226 9.511 -7.436 1.00 0.00 H new ATOM 0 HB3 ALA A 16 0.736 8.065 -7.825 1.00 0.00 H new ATOM 254 N GLY A 17 -0.361 5.657 -8.499 1.00 0.00 N ATOM 255 CA GLY A 17 -0.191 4.430 -9.328 1.00 0.00 C ATOM 256 C GLY A 17 -1.463 3.578 -9.278 1.00 0.00 C ATOM 257 O GLY A 17 -1.973 3.150 -10.294 1.00 0.00 O ATOM 0 H GLY A 17 0.293 5.746 -7.721 1.00 0.00 H new ATOM 0 HA2 GLY A 17 0.030 4.706 -10.359 1.00 0.00 H new ATOM 0 HA3 GLY A 17 0.658 3.851 -8.964 1.00 0.00 H new ATOM 261 N LEU A 18 -1.979 3.315 -8.107 1.00 0.00 N ATOM 262 CA LEU A 18 -3.214 2.481 -8.005 1.00 0.00 C ATOM 263 C LEU A 18 -4.382 3.222 -8.677 1.00 0.00 C ATOM 264 O LEU A 18 -5.043 2.696 -9.550 1.00 0.00 O ATOM 265 CB LEU A 18 -3.525 2.220 -6.518 1.00 0.00 C ATOM 266 CG LEU A 18 -2.640 1.063 -5.986 1.00 0.00 C ATOM 267 CD1 LEU A 18 -2.536 1.113 -4.450 1.00 0.00 C ATOM 268 CD2 LEU A 18 -3.240 -0.294 -6.385 1.00 0.00 C ATOM 0 H LEU A 18 -1.600 3.641 -7.218 1.00 0.00 H new ATOM 0 HA LEU A 18 -3.066 1.526 -8.509 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -3.345 3.124 -5.936 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -4.579 1.968 -6.397 1.00 0.00 H new ATOM 0 HG LEU A 18 -1.648 1.179 -6.424 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -1.910 0.292 -4.101 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -2.093 2.061 -4.146 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -3.531 1.021 -4.015 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -2.608 -1.097 -6.005 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -4.240 -0.388 -5.962 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -3.298 -0.361 -7.471 1.00 0.00 H new ATOM 280 N LYS A 19 -4.629 4.436 -8.281 1.00 0.00 N ATOM 281 CA LYS A 19 -5.744 5.228 -8.890 1.00 0.00 C ATOM 282 C LYS A 19 -5.504 5.391 -10.393 1.00 0.00 C ATOM 283 O LYS A 19 -6.389 5.770 -11.134 1.00 0.00 O ATOM 284 CB LYS A 19 -5.791 6.610 -8.224 1.00 0.00 C ATOM 285 CG LYS A 19 -6.951 7.436 -8.802 1.00 0.00 C ATOM 286 CD LYS A 19 -7.142 8.733 -7.982 1.00 0.00 C ATOM 287 CE LYS A 19 -8.125 8.496 -6.826 1.00 0.00 C ATOM 288 NZ LYS A 19 -7.982 9.587 -5.820 1.00 0.00 N ATOM 0 H LYS A 19 -4.104 4.923 -7.555 1.00 0.00 H new ATOM 0 HA LYS A 19 -6.690 4.709 -8.737 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -5.915 6.499 -7.147 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -4.848 7.132 -8.384 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -6.748 7.682 -9.844 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -7.869 6.848 -8.786 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -6.182 9.067 -7.589 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -7.515 9.528 -8.628 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -9.147 8.467 -7.204 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -7.930 7.530 -6.361 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -8.648 9.427 -5.037 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -7.009 9.594 -5.452 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -8.189 10.502 -6.269 1.00 0.00 H new ATOM 302 N LYS A 20 -4.318 5.110 -10.853 1.00 0.00 N ATOM 303 CA LYS A 20 -4.036 5.255 -12.309 1.00 0.00 C ATOM 304 C LYS A 20 -4.986 4.363 -13.092 1.00 0.00 C ATOM 305 O LYS A 20 -5.369 4.670 -14.203 1.00 0.00 O ATOM 306 CB LYS A 20 -2.581 4.868 -12.605 1.00 0.00 C ATOM 307 CG LYS A 20 -2.197 5.292 -14.037 1.00 0.00 C ATOM 308 CD LYS A 20 -1.731 6.754 -14.053 1.00 0.00 C ATOM 309 CE LYS A 20 -1.228 7.121 -15.454 1.00 0.00 C ATOM 310 NZ LYS A 20 0.134 6.551 -15.660 1.00 0.00 N ATOM 0 H LYS A 20 -3.533 4.787 -10.287 1.00 0.00 H new ATOM 0 HA LYS A 20 -4.185 6.293 -12.607 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -1.916 5.347 -11.886 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -2.453 3.792 -12.490 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -1.404 4.646 -14.414 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -3.052 5.168 -14.702 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -2.553 7.411 -13.768 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -0.937 6.901 -13.321 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -1.913 6.736 -16.210 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -1.201 8.204 -15.570 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 0.543 6.937 -16.535 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 0.741 6.802 -14.854 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 0.069 5.516 -15.736 1.00 0.00 H new ATOM 324 N ARG A 21 -5.397 3.280 -12.506 1.00 0.00 N ATOM 325 CA ARG A 21 -6.358 2.381 -13.185 1.00 0.00 C ATOM 326 C ARG A 21 -7.729 2.739 -12.635 1.00 0.00 C ATOM 327 O ARG A 21 -8.367 3.667 -13.089 1.00 0.00 O ATOM 328 CB ARG A 21 -6.020 0.927 -12.843 1.00 0.00 C ATOM 329 CG ARG A 21 -4.849 0.458 -13.707 1.00 0.00 C ATOM 330 CD ARG A 21 -4.516 -0.995 -13.369 1.00 0.00 C ATOM 331 NE ARG A 21 -5.660 -1.865 -13.761 1.00 0.00 N ATOM 332 CZ ARG A 21 -5.495 -3.155 -13.845 1.00 0.00 C ATOM 333 NH1 ARG A 21 -4.335 -3.683 -13.566 1.00 0.00 N ATOM 334 NH2 ARG A 21 -6.489 -3.918 -14.207 1.00 0.00 N ATOM 0 H ARG A 21 -5.105 2.977 -11.577 1.00 0.00 H new ATOM 0 HA ARG A 21 -6.324 2.492 -14.269 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -5.764 0.841 -11.787 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -6.889 0.291 -13.013 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -5.104 0.548 -14.763 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -3.979 1.091 -13.534 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -3.612 -1.305 -13.893 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -4.316 -1.096 -12.302 1.00 0.00 H new ATOM 0 HE ARG A 21 -6.570 -1.452 -13.963 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -3.558 -3.086 -13.282 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -4.205 -4.693 -13.632 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -7.396 -3.505 -14.425 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -6.359 -4.928 -14.273 1.00 0.00 H new ATOM 348 N LYS A 22 -8.172 2.040 -11.636 1.00 0.00 N ATOM 349 CA LYS A 22 -9.482 2.381 -11.023 1.00 0.00 C ATOM 350 C LYS A 22 -9.506 1.889 -9.573 1.00 0.00 C ATOM 351 O LYS A 22 -10.462 1.275 -9.143 1.00 0.00 O ATOM 352 CB LYS A 22 -10.622 1.730 -11.810 1.00 0.00 C ATOM 353 CG LYS A 22 -10.336 0.233 -12.000 1.00 0.00 C ATOM 354 CD LYS A 22 -11.638 -0.502 -12.335 1.00 0.00 C ATOM 355 CE LYS A 22 -12.270 0.113 -13.586 1.00 0.00 C ATOM 356 NZ LYS A 22 -11.230 0.276 -14.642 1.00 0.00 N ATOM 0 H LYS A 22 -7.686 1.248 -11.216 1.00 0.00 H new ATOM 0 HA LYS A 22 -9.616 3.462 -11.045 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -11.565 1.865 -11.280 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -10.729 2.215 -12.780 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -9.610 0.090 -12.800 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -9.896 -0.181 -11.093 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -11.437 -1.561 -12.500 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -12.331 -0.436 -11.496 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -13.076 -0.525 -13.950 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -12.713 1.079 -13.345 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -11.666 0.161 -15.579 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -10.808 1.224 -14.571 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -10.489 -0.443 -14.514 1.00 0.00 H new ATOM 370 N LEU A 23 -8.459 2.134 -8.825 1.00 0.00 N ATOM 371 CA LEU A 23 -8.410 1.655 -7.402 1.00 0.00 C ATOM 372 C LEU A 23 -8.160 2.831 -6.454 1.00 0.00 C ATOM 373 O LEU A 23 -7.478 3.776 -6.781 1.00 0.00 O ATOM 374 CB LEU A 23 -7.249 0.672 -7.249 1.00 0.00 C ATOM 375 CG LEU A 23 -7.427 -0.561 -8.140 1.00 0.00 C ATOM 376 CD1 LEU A 23 -6.284 -1.533 -7.840 1.00 0.00 C ATOM 377 CD2 LEU A 23 -8.774 -1.248 -7.857 1.00 0.00 C ATOM 0 H LEU A 23 -7.633 2.646 -9.136 1.00 0.00 H new ATOM 0 HA LEU A 23 -9.361 1.181 -7.158 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -6.314 1.172 -7.502 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -7.172 0.360 -6.208 1.00 0.00 H new ATOM 0 HG LEU A 23 -7.413 -0.260 -9.187 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -6.389 -2.421 -8.463 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -5.330 -1.050 -8.053 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -6.318 -1.821 -6.789 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -8.879 -2.121 -8.501 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -8.811 -1.560 -6.813 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -9.587 -0.550 -8.056 1.00 0.00 H new ATOM 389 N SER A 24 -8.697 2.767 -5.266 1.00 0.00 N ATOM 390 CA SER A 24 -8.480 3.868 -4.280 1.00 0.00 C ATOM 391 C SER A 24 -8.534 3.287 -2.868 1.00 0.00 C ATOM 392 O SER A 24 -9.475 2.603 -2.517 1.00 0.00 O ATOM 393 CB SER A 24 -9.574 4.923 -4.442 1.00 0.00 C ATOM 394 OG SER A 24 -10.832 4.275 -4.564 1.00 0.00 O ATOM 0 H SER A 24 -9.279 1.998 -4.933 1.00 0.00 H new ATOM 0 HA SER A 24 -7.508 4.331 -4.451 1.00 0.00 H new ATOM 0 HB2 SER A 24 -9.579 5.594 -3.583 1.00 0.00 H new ATOM 0 HB3 SER A 24 -9.379 5.534 -5.323 1.00 0.00 H new ATOM 0 HG SER A 24 -11.538 4.947 -4.666 1.00 0.00 H new ATOM 400 N LEU A 25 -7.538 3.544 -2.053 1.00 0.00 N ATOM 401 CA LEU A 25 -7.549 2.995 -0.658 1.00 0.00 C ATOM 402 C LEU A 25 -8.946 3.173 -0.054 1.00 0.00 C ATOM 403 O LEU A 25 -9.335 2.472 0.861 1.00 0.00 O ATOM 404 CB LEU A 25 -6.538 3.749 0.210 1.00 0.00 C ATOM 405 CG LEU A 25 -5.134 3.665 -0.404 1.00 0.00 C ATOM 406 CD1 LEU A 25 -4.192 4.608 0.351 1.00 0.00 C ATOM 407 CD2 LEU A 25 -4.599 2.228 -0.303 1.00 0.00 C ATOM 0 H LEU A 25 -6.722 4.107 -2.291 1.00 0.00 H new ATOM 0 HA LEU A 25 -7.284 1.938 -0.691 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -6.838 4.793 0.305 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -6.527 3.328 1.215 1.00 0.00 H new ATOM 0 HG LEU A 25 -5.187 3.955 -1.453 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -3.194 4.550 -0.083 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -4.562 5.630 0.274 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -4.149 4.316 1.400 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -3.602 2.179 -0.741 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -4.550 1.931 0.745 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -5.265 1.553 -0.840 1.00 0.00 H new ATOM 419 N SER A 26 -9.699 4.104 -0.570 1.00 0.00 N ATOM 420 CA SER A 26 -11.071 4.334 -0.045 1.00 0.00 C ATOM 421 C SER A 26 -12.004 3.253 -0.589 1.00 0.00 C ATOM 422 O SER A 26 -12.821 2.706 0.126 1.00 0.00 O ATOM 423 CB SER A 26 -11.562 5.709 -0.495 1.00 0.00 C ATOM 424 OG SER A 26 -10.769 6.718 0.120 1.00 0.00 O ATOM 0 H SER A 26 -9.421 4.717 -1.336 1.00 0.00 H new ATOM 0 HA SER A 26 -11.061 4.293 1.044 1.00 0.00 H new ATOM 0 HB2 SER A 26 -11.499 5.793 -1.580 1.00 0.00 H new ATOM 0 HB3 SER A 26 -12.610 5.840 -0.225 1.00 0.00 H new ATOM 0 HG SER A 26 -11.081 7.601 -0.169 1.00 0.00 H new ATOM 430 N ALA A 27 -11.886 2.939 -1.850 1.00 0.00 N ATOM 431 CA ALA A 27 -12.764 1.891 -2.438 1.00 0.00 C ATOM 432 C ALA A 27 -12.353 0.527 -1.886 1.00 0.00 C ATOM 433 O ALA A 27 -13.181 -0.277 -1.511 1.00 0.00 O ATOM 434 CB ALA A 27 -12.614 1.895 -3.960 1.00 0.00 C ATOM 0 H ALA A 27 -11.221 3.363 -2.497 1.00 0.00 H new ATOM 0 HA ALA A 27 -13.803 2.093 -2.179 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -13.257 1.128 -4.391 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -12.901 2.871 -4.351 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -11.577 1.689 -4.224 1.00 0.00 H new ATOM 440 N LEU A 28 -11.077 0.264 -1.815 1.00 0.00 N ATOM 441 CA LEU A 28 -10.620 -1.046 -1.278 1.00 0.00 C ATOM 442 C LEU A 28 -11.147 -1.203 0.147 1.00 0.00 C ATOM 443 O LEU A 28 -11.354 -2.299 0.627 1.00 0.00 O ATOM 444 CB LEU A 28 -9.084 -1.070 -1.263 1.00 0.00 C ATOM 445 CG LEU A 28 -8.555 -1.483 -2.636 1.00 0.00 C ATOM 446 CD1 LEU A 28 -9.156 -0.580 -3.721 1.00 0.00 C ATOM 447 CD2 LEU A 28 -7.026 -1.362 -2.645 1.00 0.00 C ATOM 0 H LEU A 28 -10.333 0.899 -2.105 1.00 0.00 H new ATOM 0 HA LEU A 28 -10.992 -1.861 -1.900 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -8.699 -0.086 -0.997 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -8.730 -1.767 -0.503 1.00 0.00 H new ATOM 0 HG LEU A 28 -8.840 -2.515 -2.840 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -8.774 -0.880 -4.697 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -10.242 -0.673 -3.712 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -8.879 0.456 -3.526 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -6.644 -1.656 -3.623 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -6.741 -0.330 -2.439 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -6.605 -2.014 -1.880 1.00 0.00 H new ATOM 459 N SER A 29 -11.367 -0.114 0.818 1.00 0.00 N ATOM 460 CA SER A 29 -11.876 -0.187 2.216 1.00 0.00 C ATOM 461 C SER A 29 -13.322 -0.704 2.237 1.00 0.00 C ATOM 462 O SER A 29 -13.629 -1.675 2.900 1.00 0.00 O ATOM 463 CB SER A 29 -11.834 1.206 2.836 1.00 0.00 C ATOM 464 OG SER A 29 -12.993 1.931 2.444 1.00 0.00 O ATOM 0 H SER A 29 -11.217 0.829 0.460 1.00 0.00 H new ATOM 0 HA SER A 29 -11.248 -0.873 2.785 1.00 0.00 H new ATOM 0 HB2 SER A 29 -11.788 1.132 3.922 1.00 0.00 H new ATOM 0 HB3 SER A 29 -10.936 1.733 2.514 1.00 0.00 H new ATOM 0 HG SER A 29 -12.771 2.524 1.696 1.00 0.00 H new ATOM 470 N ARG A 30 -14.214 -0.051 1.541 1.00 0.00 N ATOM 471 CA ARG A 30 -15.639 -0.503 1.544 1.00 0.00 C ATOM 472 C ARG A 30 -15.782 -1.830 0.790 1.00 0.00 C ATOM 473 O ARG A 30 -16.706 -2.584 1.023 1.00 0.00 O ATOM 474 CB ARG A 30 -16.522 0.564 0.877 1.00 0.00 C ATOM 475 CG ARG A 30 -15.981 1.954 1.212 1.00 0.00 C ATOM 476 CD ARG A 30 -17.009 3.017 0.815 1.00 0.00 C ATOM 477 NE ARG A 30 -17.257 2.929 -0.652 1.00 0.00 N ATOM 478 CZ ARG A 30 -18.240 3.594 -1.195 1.00 0.00 C ATOM 479 NH1 ARG A 30 -18.953 4.417 -0.473 1.00 0.00 N ATOM 480 NH2 ARG A 30 -18.495 3.456 -2.466 1.00 0.00 N ATOM 0 H ARG A 30 -14.020 0.773 0.972 1.00 0.00 H new ATOM 0 HA ARG A 30 -15.957 -0.649 2.576 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -16.535 0.418 -0.203 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -17.551 0.469 1.224 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -15.765 2.023 2.278 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -15.043 2.127 0.685 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -17.939 2.865 1.364 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -16.643 4.010 1.076 1.00 0.00 H new ATOM 0 HE ARG A 30 -16.656 2.346 -1.234 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -18.742 4.541 0.517 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -19.721 4.936 -0.900 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -17.927 2.829 -3.035 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -19.263 3.975 -2.891 1.00 0.00 H new ATOM 494 N GLN A 31 -14.895 -2.117 -0.119 1.00 0.00 N ATOM 495 CA GLN A 31 -15.010 -3.384 -0.890 1.00 0.00 C ATOM 496 C GLN A 31 -14.812 -4.591 0.037 1.00 0.00 C ATOM 497 O GLN A 31 -15.439 -5.617 -0.137 1.00 0.00 O ATOM 498 CB GLN A 31 -13.955 -3.390 -2.001 1.00 0.00 C ATOM 499 CG GLN A 31 -14.450 -2.548 -3.184 1.00 0.00 C ATOM 500 CD GLN A 31 -13.419 -2.600 -4.315 1.00 0.00 C ATOM 501 OE1 GLN A 31 -12.361 -2.010 -4.217 1.00 0.00 O ATOM 502 NE2 GLN A 31 -13.685 -3.288 -5.391 1.00 0.00 N ATOM 0 H GLN A 31 -14.097 -1.530 -0.361 1.00 0.00 H new ATOM 0 HA GLN A 31 -16.004 -3.452 -1.331 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -13.014 -2.989 -1.625 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -13.759 -4.412 -2.325 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -15.410 -2.925 -3.536 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -14.608 -1.517 -2.869 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -14.573 -3.783 -5.473 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -13.005 -3.331 -6.150 1.00 0.00 H new ATOM 511 N PHE A 32 -13.951 -4.479 1.020 1.00 0.00 N ATOM 512 CA PHE A 32 -13.715 -5.627 1.960 1.00 0.00 C ATOM 513 C PHE A 32 -14.424 -5.351 3.288 1.00 0.00 C ATOM 514 O PHE A 32 -14.836 -6.265 3.977 1.00 0.00 O ATOM 515 CB PHE A 32 -12.206 -5.798 2.196 1.00 0.00 C ATOM 516 CG PHE A 32 -11.601 -6.523 1.014 1.00 0.00 C ATOM 517 CD1 PHE A 32 -11.179 -5.800 -0.116 1.00 0.00 C ATOM 518 CD2 PHE A 32 -11.482 -7.925 1.040 1.00 0.00 C ATOM 519 CE1 PHE A 32 -10.640 -6.481 -1.225 1.00 0.00 C ATOM 520 CE2 PHE A 32 -10.938 -8.605 -0.066 1.00 0.00 C ATOM 521 CZ PHE A 32 -10.518 -7.884 -1.199 1.00 0.00 C ATOM 0 H PHE A 32 -13.400 -3.643 1.214 1.00 0.00 H new ATOM 0 HA PHE A 32 -14.113 -6.544 1.525 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -11.732 -4.825 2.323 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -12.030 -6.360 3.113 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -11.268 -4.724 -0.133 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -11.808 -8.479 1.908 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -10.320 -5.927 -2.095 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -10.843 -9.681 -0.045 1.00 0.00 H new ATOM 0 HZ PHE A 32 -10.102 -8.406 -2.048 1.00 0.00 H new ATOM 531 N GLY A 33 -14.586 -4.097 3.647 1.00 0.00 N ATOM 532 CA GLY A 33 -15.290 -3.752 4.925 1.00 0.00 C ATOM 533 C GLY A 33 -14.387 -2.916 5.836 1.00 0.00 C ATOM 534 O GLY A 33 -14.821 -1.939 6.412 1.00 0.00 O ATOM 0 H GLY A 33 -14.259 -3.296 3.107 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -16.203 -3.199 4.704 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -15.587 -4.666 5.440 1.00 0.00 H new ATOM 538 N TYR A 34 -13.144 -3.292 5.988 1.00 0.00 N ATOM 539 CA TYR A 34 -12.245 -2.510 6.889 1.00 0.00 C ATOM 540 C TYR A 34 -12.399 -1.008 6.623 1.00 0.00 C ATOM 541 O TYR A 34 -12.254 -0.540 5.511 1.00 0.00 O ATOM 542 CB TYR A 34 -10.782 -2.911 6.672 1.00 0.00 C ATOM 543 CG TYR A 34 -10.618 -4.417 6.760 1.00 0.00 C ATOM 544 CD1 TYR A 34 -11.104 -5.134 7.877 1.00 0.00 C ATOM 545 CD2 TYR A 34 -9.966 -5.106 5.719 1.00 0.00 C ATOM 546 CE1 TYR A 34 -10.940 -6.529 7.944 1.00 0.00 C ATOM 547 CE2 TYR A 34 -9.803 -6.500 5.790 1.00 0.00 C ATOM 548 CZ TYR A 34 -10.292 -7.212 6.901 1.00 0.00 C ATOM 549 OH TYR A 34 -10.130 -8.582 6.971 1.00 0.00 O ATOM 0 H TYR A 34 -12.715 -4.098 5.533 1.00 0.00 H new ATOM 0 HA TYR A 34 -12.528 -2.728 7.919 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -10.445 -2.560 5.697 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -10.153 -2.428 7.420 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -11.602 -4.610 8.680 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -9.591 -4.562 4.865 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -11.312 -7.076 8.798 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -9.302 -7.026 4.991 1.00 0.00 H new ATOM 0 HH TYR A 34 -9.663 -8.898 6.169 1.00 0.00 H new ATOM 559 N ALA A 35 -12.708 -0.255 7.643 1.00 0.00 N ATOM 560 CA ALA A 35 -12.885 1.218 7.476 1.00 0.00 C ATOM 561 C ALA A 35 -11.730 1.785 6.619 1.00 0.00 C ATOM 562 O ALA A 35 -10.736 1.116 6.420 1.00 0.00 O ATOM 563 CB ALA A 35 -12.905 1.876 8.876 1.00 0.00 C ATOM 0 H ALA A 35 -12.847 -0.599 8.593 1.00 0.00 H new ATOM 0 HA ALA A 35 -13.824 1.432 6.967 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -13.034 2.953 8.770 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -13.731 1.467 9.458 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -11.964 1.672 9.388 1.00 0.00 H new ATOM 569 N PRO A 36 -11.887 3.008 6.139 1.00 0.00 N ATOM 570 CA PRO A 36 -10.845 3.654 5.310 1.00 0.00 C ATOM 571 C PRO A 36 -9.574 3.884 6.142 1.00 0.00 C ATOM 572 O PRO A 36 -8.472 3.842 5.632 1.00 0.00 O ATOM 573 CB PRO A 36 -11.467 5.000 4.869 1.00 0.00 C ATOM 574 CG PRO A 36 -12.792 5.179 5.663 1.00 0.00 C ATOM 575 CD PRO A 36 -13.093 3.841 6.373 1.00 0.00 C ATOM 0 HA PRO A 36 -10.553 3.044 4.455 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -10.783 5.824 5.072 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -11.659 5.002 3.796 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -12.697 5.986 6.390 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -13.607 5.449 4.992 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -13.271 3.990 7.438 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -13.986 3.368 5.964 1.00 0.00 H new ATOM 583 N THR A 37 -9.725 4.138 7.412 1.00 0.00 N ATOM 584 CA THR A 37 -8.533 4.381 8.272 1.00 0.00 C ATOM 585 C THR A 37 -7.668 3.121 8.318 1.00 0.00 C ATOM 586 O THR A 37 -6.456 3.189 8.272 1.00 0.00 O ATOM 587 CB THR A 37 -8.996 4.740 9.683 1.00 0.00 C ATOM 588 OG1 THR A 37 -9.772 3.673 10.209 1.00 0.00 O ATOM 589 CG2 THR A 37 -9.841 6.014 9.634 1.00 0.00 C ATOM 0 H THR A 37 -10.624 4.188 7.892 1.00 0.00 H new ATOM 0 HA THR A 37 -7.946 5.202 7.861 1.00 0.00 H new ATOM 0 HB THR A 37 -8.128 4.907 10.321 1.00 0.00 H new ATOM 0 HG1 THR A 37 -10.069 3.900 11.115 1.00 0.00 H new ATOM 0 HG21 THR A 37 -10.171 6.270 10.641 1.00 0.00 H new ATOM 0 HG22 THR A 37 -9.244 6.831 9.229 1.00 0.00 H new ATOM 0 HG23 THR A 37 -10.710 5.850 8.998 1.00 0.00 H new ATOM 597 N THR A 38 -8.277 1.972 8.403 1.00 0.00 N ATOM 598 CA THR A 38 -7.484 0.713 8.448 1.00 0.00 C ATOM 599 C THR A 38 -6.568 0.648 7.223 1.00 0.00 C ATOM 600 O THR A 38 -5.359 0.577 7.336 1.00 0.00 O ATOM 601 CB THR A 38 -8.439 -0.493 8.443 1.00 0.00 C ATOM 602 OG1 THR A 38 -9.081 -0.588 9.708 1.00 0.00 O ATOM 603 CG2 THR A 38 -7.664 -1.792 8.167 1.00 0.00 C ATOM 0 H THR A 38 -9.289 1.850 8.443 1.00 0.00 H new ATOM 0 HA THR A 38 -6.880 0.692 9.355 1.00 0.00 H new ATOM 0 HB THR A 38 -9.181 -0.352 7.657 1.00 0.00 H new ATOM 0 HG1 THR A 38 -9.692 -1.354 9.708 1.00 0.00 H new ATOM 0 HG21 THR A 38 -8.355 -2.635 8.167 1.00 0.00 H new ATOM 0 HG22 THR A 38 -7.174 -1.724 7.195 1.00 0.00 H new ATOM 0 HG23 THR A 38 -6.912 -1.939 8.943 1.00 0.00 H new ATOM 611 N LEU A 39 -7.139 0.654 6.053 1.00 0.00 N ATOM 612 CA LEU A 39 -6.313 0.575 4.816 1.00 0.00 C ATOM 613 C LEU A 39 -5.194 1.631 4.879 1.00 0.00 C ATOM 614 O LEU A 39 -4.035 1.334 4.669 1.00 0.00 O ATOM 615 CB LEU A 39 -7.230 0.824 3.589 1.00 0.00 C ATOM 616 CG LEU A 39 -7.042 -0.249 2.491 1.00 0.00 C ATOM 617 CD1 LEU A 39 -5.542 -0.543 2.238 1.00 0.00 C ATOM 618 CD2 LEU A 39 -7.773 -1.537 2.901 1.00 0.00 C ATOM 0 H LEU A 39 -8.146 0.710 5.898 1.00 0.00 H new ATOM 0 HA LEU A 39 -5.854 -0.410 4.728 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -8.271 0.833 3.912 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -7.017 1.809 3.173 1.00 0.00 H new ATOM 0 HG LEU A 39 -7.466 0.133 1.562 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -5.446 -1.301 1.461 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -5.041 0.371 1.918 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -5.082 -0.905 3.157 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -7.640 -2.293 2.127 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -7.363 -1.905 3.841 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -8.836 -1.328 3.026 1.00 0.00 H new ATOM 630 N ALA A 40 -5.539 2.861 5.149 1.00 0.00 N ATOM 631 CA ALA A 40 -4.501 3.933 5.214 1.00 0.00 C ATOM 632 C ALA A 40 -3.411 3.538 6.216 1.00 0.00 C ATOM 633 O ALA A 40 -2.235 3.558 5.912 1.00 0.00 O ATOM 634 CB ALA A 40 -5.148 5.247 5.662 1.00 0.00 C ATOM 0 H ALA A 40 -6.494 3.171 5.328 1.00 0.00 H new ATOM 0 HA ALA A 40 -4.057 4.062 4.227 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -4.390 6.028 5.709 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -5.921 5.534 4.949 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -5.595 5.115 6.647 1.00 0.00 H new ATOM 640 N ASN A 41 -3.801 3.192 7.413 1.00 0.00 N ATOM 641 CA ASN A 41 -2.801 2.811 8.451 1.00 0.00 C ATOM 642 C ASN A 41 -1.904 1.678 7.943 1.00 0.00 C ATOM 643 O ASN A 41 -0.870 1.395 8.515 1.00 0.00 O ATOM 644 CB ASN A 41 -3.536 2.346 9.707 1.00 0.00 C ATOM 645 CG ASN A 41 -4.394 3.490 10.252 1.00 0.00 C ATOM 646 OD1 ASN A 41 -4.599 4.547 9.514 1.00 0.00 O flip ATOM 647 ND2 ASN A 41 -4.881 3.420 11.364 1.00 0.00 N flip ATOM 0 H ASN A 41 -4.774 3.157 7.718 1.00 0.00 H new ATOM 0 HA ASN A 41 -2.179 3.677 8.677 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -4.164 1.485 9.476 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -2.819 2.024 10.462 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -4.720 2.594 11.940 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -5.450 4.188 11.721 1.00 0.00 H new ATOM 654 N ALA A 42 -2.282 1.026 6.879 1.00 0.00 N ATOM 655 CA ALA A 42 -1.431 -0.079 6.356 1.00 0.00 C ATOM 656 C ALA A 42 -0.173 0.508 5.709 1.00 0.00 C ATOM 657 O ALA A 42 0.688 -0.209 5.243 1.00 0.00 O ATOM 658 CB ALA A 42 -2.210 -0.882 5.309 1.00 0.00 C ATOM 0 H ALA A 42 -3.136 1.208 6.352 1.00 0.00 H new ATOM 0 HA ALA A 42 -1.149 -0.735 7.180 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -1.583 -1.689 4.929 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -3.106 -1.302 5.766 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -2.495 -0.227 4.486 1.00 0.00 H new ATOM 664 N LEU A 43 -0.072 1.810 5.659 1.00 0.00 N ATOM 665 CA LEU A 43 1.119 2.450 5.022 1.00 0.00 C ATOM 666 C LEU A 43 2.264 2.615 6.031 1.00 0.00 C ATOM 667 O LEU A 43 3.413 2.710 5.644 1.00 0.00 O ATOM 668 CB LEU A 43 0.726 3.828 4.480 1.00 0.00 C ATOM 669 CG LEU A 43 -0.429 3.688 3.476 1.00 0.00 C ATOM 670 CD1 LEU A 43 -1.067 5.055 3.238 1.00 0.00 C ATOM 671 CD2 LEU A 43 0.089 3.140 2.137 1.00 0.00 C ATOM 0 H LEU A 43 -0.764 2.460 6.032 1.00 0.00 H new ATOM 0 HA LEU A 43 1.461 1.807 4.211 1.00 0.00 H new ATOM 0 HB2 LEU A 43 0.428 4.479 5.301 1.00 0.00 H new ATOM 0 HB3 LEU A 43 1.584 4.296 3.997 1.00 0.00 H new ATOM 0 HG LEU A 43 -1.165 2.997 3.886 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -1.886 4.955 2.526 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -1.451 5.446 4.180 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -0.320 5.741 2.838 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -0.741 3.047 1.437 1.00 0.00 H new ATOM 0 HD22 LEU A 43 0.834 3.823 1.728 1.00 0.00 H new ATOM 0 HD23 LEU A 43 0.542 2.161 2.295 1.00 0.00 H new ATOM 683 N GLU A 44 1.975 2.676 7.313 1.00 0.00 N ATOM 684 CA GLU A 44 3.074 2.859 8.324 1.00 0.00 C ATOM 685 C GLU A 44 2.924 1.882 9.496 1.00 0.00 C ATOM 686 O GLU A 44 3.900 1.471 10.091 1.00 0.00 O ATOM 687 CB GLU A 44 3.030 4.295 8.857 1.00 0.00 C ATOM 688 CG GLU A 44 1.591 4.664 9.219 1.00 0.00 C ATOM 689 CD GLU A 44 1.582 6.002 9.956 1.00 0.00 C ATOM 690 OE1 GLU A 44 2.657 6.500 10.251 1.00 0.00 O ATOM 691 OE2 GLU A 44 0.503 6.507 10.214 1.00 0.00 O ATOM 0 H GLU A 44 1.034 2.608 7.702 1.00 0.00 H new ATOM 0 HA GLU A 44 4.027 2.661 7.834 1.00 0.00 H new ATOM 0 HB2 GLU A 44 3.671 4.388 9.733 1.00 0.00 H new ATOM 0 HB3 GLU A 44 3.415 4.984 8.106 1.00 0.00 H new ATOM 0 HG2 GLU A 44 0.982 4.729 8.317 1.00 0.00 H new ATOM 0 HG3 GLU A 44 1.151 3.888 9.845 1.00 0.00 H new ATOM 698 N ARG A 45 1.722 1.519 9.854 1.00 0.00 N ATOM 699 CA ARG A 45 1.551 0.588 11.008 1.00 0.00 C ATOM 700 C ARG A 45 1.945 -0.834 10.603 1.00 0.00 C ATOM 701 O ARG A 45 1.570 -1.323 9.554 1.00 0.00 O ATOM 702 CB ARG A 45 0.089 0.593 11.466 1.00 0.00 C ATOM 703 CG ARG A 45 -0.287 1.979 12.013 1.00 0.00 C ATOM 704 CD ARG A 45 -1.513 1.860 12.925 1.00 0.00 C ATOM 705 NE ARG A 45 -1.076 1.376 14.265 1.00 0.00 N ATOM 706 CZ ARG A 45 -1.897 1.427 15.275 1.00 0.00 C ATOM 707 NH1 ARG A 45 -3.103 1.900 15.116 1.00 0.00 N ATOM 708 NH2 ARG A 45 -1.510 1.003 16.446 1.00 0.00 N ATOM 0 H ARG A 45 0.859 1.823 9.403 1.00 0.00 H new ATOM 0 HA ARG A 45 2.193 0.921 11.823 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -0.563 0.333 10.632 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -0.062 -0.164 12.236 1.00 0.00 H new ATOM 0 HG2 ARG A 45 0.551 2.401 12.568 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -0.500 2.660 11.189 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -2.009 2.826 13.017 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -2.238 1.170 12.493 1.00 0.00 H new ATOM 0 HE ARG A 45 -0.134 1.005 14.391 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -3.404 2.231 14.199 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -3.744 1.939 15.908 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -0.567 0.633 16.569 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -2.150 1.041 17.239 1.00 0.00 H new ATOM 722 N HIS A 46 2.692 -1.506 11.439 1.00 0.00 N ATOM 723 CA HIS A 46 3.109 -2.901 11.119 1.00 0.00 C ATOM 724 C HIS A 46 1.865 -3.760 10.891 1.00 0.00 C ATOM 725 O HIS A 46 1.235 -4.224 11.820 1.00 0.00 O ATOM 726 CB HIS A 46 3.924 -3.469 12.285 1.00 0.00 C ATOM 727 CG HIS A 46 5.292 -2.842 12.283 1.00 0.00 C ATOM 728 ND1 HIS A 46 6.416 -3.512 12.740 1.00 0.00 N ATOM 729 CD2 HIS A 46 5.734 -1.611 11.865 1.00 0.00 C ATOM 730 CE1 HIS A 46 7.469 -2.687 12.590 1.00 0.00 C ATOM 731 NE2 HIS A 46 7.109 -1.515 12.058 1.00 0.00 N ATOM 0 H HIS A 46 3.032 -1.147 12.331 1.00 0.00 H new ATOM 0 HA HIS A 46 3.721 -2.904 10.217 1.00 0.00 H new ATOM 0 HB2 HIS A 46 3.419 -3.267 13.230 1.00 0.00 H new ATOM 0 HB3 HIS A 46 4.007 -4.552 12.193 1.00 0.00 H new ATOM 0 HD2 HIS A 46 5.109 -0.835 11.449 1.00 0.00 H new ATOM 0 HE1 HIS A 46 8.482 -2.941 12.866 1.00 0.00 H new ATOM 0 HE2 HIS A 46 7.712 -0.721 11.840 1.00 0.00 H new ATOM 739 N TRP A 47 1.512 -3.975 9.658 1.00 0.00 N ATOM 740 CA TRP A 47 0.315 -4.801 9.348 1.00 0.00 C ATOM 741 C TRP A 47 0.399 -5.226 7.872 1.00 0.00 C ATOM 742 O TRP A 47 -0.339 -4.724 7.047 1.00 0.00 O ATOM 743 CB TRP A 47 -0.952 -3.966 9.593 1.00 0.00 C ATOM 744 CG TRP A 47 -2.177 -4.793 9.350 1.00 0.00 C ATOM 745 CD1 TRP A 47 -2.387 -6.049 9.823 1.00 0.00 C ATOM 746 CD2 TRP A 47 -3.373 -4.440 8.595 1.00 0.00 C ATOM 747 NE1 TRP A 47 -3.621 -6.490 9.390 1.00 0.00 N ATOM 748 CE2 TRP A 47 -4.270 -5.540 8.633 1.00 0.00 C ATOM 749 CE3 TRP A 47 -3.764 -3.285 7.879 1.00 0.00 C ATOM 750 CZ2 TRP A 47 -5.511 -5.498 7.986 1.00 0.00 C ATOM 751 CZ3 TRP A 47 -5.015 -3.237 7.227 1.00 0.00 C ATOM 752 CH2 TRP A 47 -5.886 -4.343 7.281 1.00 0.00 C ATOM 0 H TRP A 47 2.006 -3.611 8.843 1.00 0.00 H new ATOM 0 HA TRP A 47 0.277 -5.685 9.984 1.00 0.00 H new ATOM 0 HB2 TRP A 47 -0.956 -3.591 10.616 1.00 0.00 H new ATOM 0 HB3 TRP A 47 -0.956 -3.097 8.935 1.00 0.00 H new ATOM 0 HD1 TRP A 47 -1.700 -6.611 10.438 1.00 0.00 H new ATOM 0 HE1 TRP A 47 -4.006 -7.410 9.605 1.00 0.00 H new ATOM 0 HE3 TRP A 47 -3.101 -2.434 7.831 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 -6.175 -6.348 8.029 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 -5.305 -2.349 6.685 1.00 0.00 H new ATOM 0 HH2 TRP A 47 -6.842 -4.303 6.780 1.00 0.00 H new ATOM 763 N PRO A 48 1.336 -6.111 7.575 1.00 0.00 N ATOM 764 CA PRO A 48 1.559 -6.585 6.193 1.00 0.00 C ATOM 765 C PRO A 48 0.281 -7.193 5.587 1.00 0.00 C ATOM 766 O PRO A 48 0.193 -7.382 4.391 1.00 0.00 O ATOM 767 CB PRO A 48 2.689 -7.636 6.308 1.00 0.00 C ATOM 768 CG PRO A 48 3.203 -7.611 7.778 1.00 0.00 C ATOM 769 CD PRO A 48 2.251 -6.701 8.586 1.00 0.00 C ATOM 0 HA PRO A 48 1.831 -5.768 5.525 1.00 0.00 H new ATOM 0 HB2 PRO A 48 2.318 -8.628 6.048 1.00 0.00 H new ATOM 0 HB3 PRO A 48 3.498 -7.406 5.615 1.00 0.00 H new ATOM 0 HG2 PRO A 48 3.218 -8.617 8.196 1.00 0.00 H new ATOM 0 HG3 PRO A 48 4.224 -7.232 7.821 1.00 0.00 H new ATOM 0 HD2 PRO A 48 1.699 -7.271 9.333 1.00 0.00 H new ATOM 0 HD3 PRO A 48 2.803 -5.927 9.119 1.00 0.00 H new ATOM 777 N LYS A 49 -0.706 -7.501 6.384 1.00 0.00 N ATOM 778 CA LYS A 49 -1.951 -8.095 5.809 1.00 0.00 C ATOM 779 C LYS A 49 -2.718 -7.016 5.040 1.00 0.00 C ATOM 780 O LYS A 49 -3.378 -7.293 4.058 1.00 0.00 O ATOM 781 CB LYS A 49 -2.825 -8.659 6.933 1.00 0.00 C ATOM 782 CG LYS A 49 -3.957 -9.551 6.348 1.00 0.00 C ATOM 783 CD LYS A 49 -3.623 -11.050 6.494 1.00 0.00 C ATOM 784 CE LYS A 49 -2.535 -11.471 5.495 1.00 0.00 C ATOM 785 NZ LYS A 49 -2.875 -10.970 4.133 1.00 0.00 N ATOM 0 H LYS A 49 -0.707 -7.370 7.396 1.00 0.00 H new ATOM 0 HA LYS A 49 -1.688 -8.905 5.129 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -2.212 -9.243 7.620 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -3.259 -7.842 7.509 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -4.895 -9.334 6.860 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -4.105 -9.310 5.295 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -3.287 -11.254 7.511 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -4.522 -11.644 6.330 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -1.569 -11.074 5.807 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -2.443 -12.557 5.480 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -2.446 -11.591 3.418 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -3.908 -10.965 4.013 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -2.509 -10.004 4.017 1.00 0.00 H new ATOM 799 N GLY A 50 -2.621 -5.785 5.460 1.00 0.00 N ATOM 800 CA GLY A 50 -3.328 -4.691 4.729 1.00 0.00 C ATOM 801 C GLY A 50 -2.575 -4.422 3.429 1.00 0.00 C ATOM 802 O GLY A 50 -3.141 -3.990 2.442 1.00 0.00 O ATOM 0 H GLY A 50 -2.085 -5.488 6.275 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -4.358 -4.978 4.519 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -3.367 -3.789 5.340 1.00 0.00 H new ATOM 806 N GLU A 51 -1.297 -4.687 3.421 1.00 0.00 N ATOM 807 CA GLU A 51 -0.497 -4.467 2.193 1.00 0.00 C ATOM 808 C GLU A 51 -0.895 -5.530 1.170 1.00 0.00 C ATOM 809 O GLU A 51 -0.881 -5.300 -0.023 1.00 0.00 O ATOM 810 CB GLU A 51 0.989 -4.585 2.538 1.00 0.00 C ATOM 811 CG GLU A 51 1.317 -3.592 3.656 1.00 0.00 C ATOM 812 CD GLU A 51 2.832 -3.498 3.838 1.00 0.00 C ATOM 813 OE1 GLU A 51 3.514 -4.444 3.480 1.00 0.00 O ATOM 814 OE2 GLU A 51 3.287 -2.480 4.337 1.00 0.00 O ATOM 0 H GLU A 51 -0.774 -5.048 4.219 1.00 0.00 H new ATOM 0 HA GLU A 51 -0.681 -3.476 1.779 1.00 0.00 H new ATOM 0 HB2 GLU A 51 1.223 -5.601 2.855 1.00 0.00 H new ATOM 0 HB3 GLU A 51 1.598 -4.377 1.658 1.00 0.00 H new ATOM 0 HG2 GLU A 51 0.909 -2.611 3.414 1.00 0.00 H new ATOM 0 HG3 GLU A 51 0.849 -3.911 4.587 1.00 0.00 H new ATOM 821 N GLN A 52 -1.271 -6.692 1.641 1.00 0.00 N ATOM 822 CA GLN A 52 -1.698 -7.781 0.717 1.00 0.00 C ATOM 823 C GLN A 52 -2.944 -7.323 -0.046 1.00 0.00 C ATOM 824 O GLN A 52 -3.045 -7.479 -1.242 1.00 0.00 O ATOM 825 CB GLN A 52 -2.035 -9.037 1.528 1.00 0.00 C ATOM 826 CG GLN A 52 -0.741 -9.733 1.976 1.00 0.00 C ATOM 827 CD GLN A 52 -0.186 -10.586 0.831 1.00 0.00 C ATOM 828 OE1 GLN A 52 -0.596 -10.441 -0.303 1.00 0.00 O ATOM 829 NE2 GLN A 52 0.731 -11.479 1.085 1.00 0.00 N ATOM 0 H GLN A 52 -1.300 -6.932 2.632 1.00 0.00 H new ATOM 0 HA GLN A 52 -0.894 -8.007 0.017 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -2.634 -8.769 2.398 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -2.635 -9.719 0.926 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -0.003 -8.989 2.278 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -0.937 -10.359 2.846 1.00 0.00 H new ATOM 0 HE21 GLN A 52 1.075 -11.600 2.038 1.00 0.00 H new ATOM 0 HE22 GLN A 52 1.104 -12.056 0.331 1.00 0.00 H new ATOM 838 N ILE A 53 -3.892 -6.753 0.647 1.00 0.00 N ATOM 839 CA ILE A 53 -5.136 -6.280 -0.024 1.00 0.00 C ATOM 840 C ILE A 53 -4.763 -5.365 -1.195 1.00 0.00 C ATOM 841 O ILE A 53 -5.287 -5.489 -2.284 1.00 0.00 O ATOM 842 CB ILE A 53 -5.976 -5.503 0.996 1.00 0.00 C ATOM 843 CG1 ILE A 53 -6.487 -6.474 2.073 1.00 0.00 C ATOM 844 CG2 ILE A 53 -7.166 -4.841 0.299 1.00 0.00 C ATOM 845 CD1 ILE A 53 -7.039 -5.703 3.289 1.00 0.00 C ATOM 0 H ILE A 53 -3.858 -6.594 1.654 1.00 0.00 H new ATOM 0 HA ILE A 53 -5.707 -7.128 -0.403 1.00 0.00 H new ATOM 0 HB ILE A 53 -5.360 -4.730 1.456 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -7.268 -7.110 1.655 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -5.677 -7.131 2.390 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -7.757 -4.291 1.032 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -6.804 -4.153 -0.465 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -7.787 -5.606 -0.167 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -7.395 -6.411 4.038 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -6.249 -5.087 3.718 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -7.864 -5.065 2.972 1.00 0.00 H new ATOM 857 N ILE A 54 -3.859 -4.448 -0.976 1.00 0.00 N ATOM 858 CA ILE A 54 -3.445 -3.515 -2.067 1.00 0.00 C ATOM 859 C ILE A 54 -2.746 -4.282 -3.198 1.00 0.00 C ATOM 860 O ILE A 54 -3.178 -4.261 -4.333 1.00 0.00 O ATOM 861 CB ILE A 54 -2.480 -2.481 -1.478 1.00 0.00 C ATOM 862 CG1 ILE A 54 -3.273 -1.548 -0.557 1.00 0.00 C ATOM 863 CG2 ILE A 54 -1.817 -1.673 -2.603 1.00 0.00 C ATOM 864 CD1 ILE A 54 -2.324 -0.610 0.221 1.00 0.00 C ATOM 0 H ILE A 54 -3.386 -4.303 -0.084 1.00 0.00 H new ATOM 0 HA ILE A 54 -4.327 -3.025 -2.479 1.00 0.00 H new ATOM 0 HB ILE A 54 -1.696 -2.985 -0.913 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -3.974 -0.957 -1.147 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -3.864 -2.137 0.144 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -1.134 -0.942 -2.172 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -1.262 -2.346 -3.257 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -2.584 -1.157 -3.181 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -2.909 0.044 0.869 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -1.641 -1.205 0.827 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -1.752 -0.006 -0.483 1.00 0.00 H new ATOM 876 N ALA A 55 -1.660 -4.941 -2.899 1.00 0.00 N ATOM 877 CA ALA A 55 -0.920 -5.686 -3.960 1.00 0.00 C ATOM 878 C ALA A 55 -1.821 -6.750 -4.582 1.00 0.00 C ATOM 879 O ALA A 55 -1.683 -7.101 -5.737 1.00 0.00 O ATOM 880 CB ALA A 55 0.300 -6.363 -3.333 1.00 0.00 C ATOM 0 H ALA A 55 -1.252 -4.996 -1.966 1.00 0.00 H new ATOM 0 HA ALA A 55 -0.606 -4.989 -4.737 1.00 0.00 H new ATOM 0 HB1 ALA A 55 0.847 -6.910 -4.101 1.00 0.00 H new ATOM 0 HB2 ALA A 55 0.950 -5.607 -2.893 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -0.027 -7.056 -2.557 1.00 0.00 H new ATOM 886 N ASN A 56 -2.741 -7.264 -3.822 1.00 0.00 N ATOM 887 CA ASN A 56 -3.659 -8.309 -4.356 1.00 0.00 C ATOM 888 C ASN A 56 -4.388 -7.761 -5.585 1.00 0.00 C ATOM 889 O ASN A 56 -4.493 -8.417 -6.604 1.00 0.00 O ATOM 890 CB ASN A 56 -4.673 -8.689 -3.272 1.00 0.00 C ATOM 891 CG ASN A 56 -5.694 -9.677 -3.835 1.00 0.00 C ATOM 892 OD1 ASN A 56 -5.500 -10.874 -3.763 1.00 0.00 O ATOM 893 ND2 ASN A 56 -6.784 -9.224 -4.390 1.00 0.00 N ATOM 0 H ASN A 56 -2.900 -7.006 -2.848 1.00 0.00 H new ATOM 0 HA ASN A 56 -3.090 -9.193 -4.642 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -4.158 -9.132 -2.420 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -5.181 -7.796 -2.908 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -7.474 -9.875 -4.764 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -6.946 -8.219 -4.450 1.00 0.00 H new ATOM 900 N ALA A 57 -4.897 -6.563 -5.493 1.00 0.00 N ATOM 901 CA ALA A 57 -5.623 -5.967 -6.648 1.00 0.00 C ATOM 902 C ALA A 57 -4.668 -5.788 -7.833 1.00 0.00 C ATOM 903 O ALA A 57 -5.076 -5.824 -8.976 1.00 0.00 O ATOM 904 CB ALA A 57 -6.198 -4.606 -6.243 1.00 0.00 C ATOM 0 H ALA A 57 -4.841 -5.970 -4.665 1.00 0.00 H new ATOM 0 HA ALA A 57 -6.434 -6.634 -6.942 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -6.730 -4.169 -7.089 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -6.887 -4.736 -5.409 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -5.387 -3.943 -5.943 1.00 0.00 H new ATOM 910 N LEU A 58 -3.398 -5.592 -7.573 1.00 0.00 N ATOM 911 CA LEU A 58 -2.422 -5.406 -8.688 1.00 0.00 C ATOM 912 C LEU A 58 -1.868 -6.766 -9.113 1.00 0.00 C ATOM 913 O LEU A 58 -0.938 -6.855 -9.889 1.00 0.00 O ATOM 914 CB LEU A 58 -1.264 -4.524 -8.209 1.00 0.00 C ATOM 915 CG LEU A 58 -1.716 -3.063 -8.044 1.00 0.00 C ATOM 916 CD1 LEU A 58 -0.559 -2.256 -7.441 1.00 0.00 C ATOM 917 CD2 LEU A 58 -2.111 -2.461 -9.410 1.00 0.00 C ATOM 0 H LEU A 58 -2.997 -5.553 -6.636 1.00 0.00 H new ATOM 0 HA LEU A 58 -2.924 -4.932 -9.532 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -0.884 -4.900 -7.259 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -0.443 -4.576 -8.924 1.00 0.00 H new ATOM 0 HG LEU A 58 -2.585 -3.026 -7.387 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -0.865 -1.217 -7.318 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -0.292 -2.673 -6.470 1.00 0.00 H new ATOM 0 HD13 LEU A 58 0.303 -2.304 -8.106 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -2.428 -1.427 -9.274 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -1.254 -2.492 -10.083 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -2.930 -3.038 -9.839 1.00 0.00 H new ATOM 929 N GLU A 59 -2.434 -7.832 -8.612 1.00 0.00 N ATOM 930 CA GLU A 59 -1.941 -9.187 -8.986 1.00 0.00 C ATOM 931 C GLU A 59 -0.429 -9.257 -8.761 1.00 0.00 C ATOM 932 O GLU A 59 0.244 -10.124 -9.283 1.00 0.00 O ATOM 933 CB GLU A 59 -2.257 -9.462 -10.461 1.00 0.00 C ATOM 934 CG GLU A 59 -3.764 -9.326 -10.696 1.00 0.00 C ATOM 935 CD GLU A 59 -4.043 -9.220 -12.196 1.00 0.00 C ATOM 936 OE1 GLU A 59 -4.045 -10.248 -12.853 1.00 0.00 O ATOM 937 OE2 GLU A 59 -4.256 -8.112 -12.662 1.00 0.00 O ATOM 0 H GLU A 59 -3.218 -7.821 -7.959 1.00 0.00 H new ATOM 0 HA GLU A 59 -2.435 -9.937 -8.368 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -1.715 -8.762 -11.096 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -1.925 -10.464 -10.734 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -4.286 -10.187 -10.279 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -4.144 -8.443 -10.182 1.00 0.00 H new ATOM 944 N THR A 60 0.106 -8.348 -7.980 1.00 0.00 N ATOM 945 CA THR A 60 1.578 -8.348 -7.700 1.00 0.00 C ATOM 946 C THR A 60 1.812 -8.732 -6.232 1.00 0.00 C ATOM 947 O THR A 60 0.906 -9.170 -5.550 1.00 0.00 O ATOM 948 CB THR A 60 2.152 -6.949 -7.991 1.00 0.00 C ATOM 949 OG1 THR A 60 3.555 -7.052 -8.185 1.00 0.00 O ATOM 950 CG2 THR A 60 1.869 -5.988 -6.827 1.00 0.00 C ATOM 0 H THR A 60 -0.417 -7.602 -7.522 1.00 0.00 H new ATOM 0 HA THR A 60 2.082 -9.073 -8.339 1.00 0.00 H new ATOM 0 HB THR A 60 1.675 -6.556 -8.888 1.00 0.00 H new ATOM 0 HG1 THR A 60 3.925 -6.164 -8.372 1.00 0.00 H new ATOM 0 HG21 THR A 60 2.284 -5.007 -7.056 1.00 0.00 H new ATOM 0 HG22 THR A 60 0.792 -5.901 -6.680 1.00 0.00 H new ATOM 0 HG23 THR A 60 2.329 -6.373 -5.917 1.00 0.00 H new ATOM 958 N LYS A 61 3.021 -8.575 -5.748 1.00 0.00 N ATOM 959 CA LYS A 61 3.333 -8.932 -4.324 1.00 0.00 C ATOM 960 C LYS A 61 3.629 -7.635 -3.534 1.00 0.00 C ATOM 961 O LYS A 61 4.139 -6.693 -4.108 1.00 0.00 O ATOM 962 CB LYS A 61 4.578 -9.837 -4.308 1.00 0.00 C ATOM 963 CG LYS A 61 4.333 -11.095 -5.170 1.00 0.00 C ATOM 964 CD LYS A 61 5.674 -11.651 -5.697 1.00 0.00 C ATOM 965 CE LYS A 61 6.072 -10.934 -6.995 1.00 0.00 C ATOM 966 NZ LYS A 61 7.341 -11.519 -7.515 1.00 0.00 N ATOM 0 H LYS A 61 3.812 -8.212 -6.281 1.00 0.00 H new ATOM 0 HA LYS A 61 2.490 -9.452 -3.869 1.00 0.00 H new ATOM 0 HB2 LYS A 61 5.440 -9.289 -4.688 1.00 0.00 H new ATOM 0 HB3 LYS A 61 4.812 -10.129 -3.284 1.00 0.00 H new ATOM 0 HG2 LYS A 61 3.823 -11.856 -4.579 1.00 0.00 H new ATOM 0 HG3 LYS A 61 3.679 -10.850 -6.007 1.00 0.00 H new ATOM 0 HD2 LYS A 61 6.452 -11.517 -4.946 1.00 0.00 H new ATOM 0 HD3 LYS A 61 5.586 -12.722 -5.877 1.00 0.00 H new ATOM 0 HE2 LYS A 61 5.280 -11.036 -7.737 1.00 0.00 H new ATOM 0 HE3 LYS A 61 6.199 -9.867 -6.810 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 7.612 -11.034 -8.394 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 8.094 -11.399 -6.808 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 7.204 -12.532 -7.706 1.00 0.00 H new ATOM 980 N PRO A 62 3.324 -7.602 -2.242 1.00 0.00 N ATOM 981 CA PRO A 62 3.592 -6.397 -1.427 1.00 0.00 C ATOM 982 C PRO A 62 5.097 -6.088 -1.455 1.00 0.00 C ATOM 983 O PRO A 62 5.515 -4.951 -1.366 1.00 0.00 O ATOM 984 CB PRO A 62 3.115 -6.766 0.002 1.00 0.00 C ATOM 985 CG PRO A 62 2.674 -8.258 -0.027 1.00 0.00 C ATOM 986 CD PRO A 62 2.707 -8.724 -1.500 1.00 0.00 C ATOM 0 HA PRO A 62 3.080 -5.508 -1.795 1.00 0.00 H new ATOM 0 HB2 PRO A 62 3.917 -6.616 0.725 1.00 0.00 H new ATOM 0 HB3 PRO A 62 2.287 -6.127 0.308 1.00 0.00 H new ATOM 0 HG2 PRO A 62 3.342 -8.867 0.583 1.00 0.00 H new ATOM 0 HG3 PRO A 62 1.672 -8.370 0.388 1.00 0.00 H new ATOM 0 HD2 PRO A 62 3.289 -9.639 -1.612 1.00 0.00 H new ATOM 0 HD3 PRO A 62 1.704 -8.937 -1.869 1.00 0.00 H new ATOM 994 N GLU A 63 5.902 -7.104 -1.570 1.00 0.00 N ATOM 995 CA GLU A 63 7.379 -6.906 -1.601 1.00 0.00 C ATOM 996 C GLU A 63 7.772 -6.018 -2.791 1.00 0.00 C ATOM 997 O GLU A 63 8.926 -5.685 -2.969 1.00 0.00 O ATOM 998 CB GLU A 63 8.062 -8.272 -1.725 1.00 0.00 C ATOM 999 CG GLU A 63 7.337 -9.282 -0.831 1.00 0.00 C ATOM 1000 CD GLU A 63 8.183 -10.549 -0.698 1.00 0.00 C ATOM 1001 OE1 GLU A 63 8.573 -11.087 -1.722 1.00 0.00 O ATOM 1002 OE2 GLU A 63 8.425 -10.961 0.423 1.00 0.00 O ATOM 0 H GLU A 63 5.598 -8.075 -1.645 1.00 0.00 H new ATOM 0 HA GLU A 63 7.698 -6.415 -0.682 1.00 0.00 H new ATOM 0 HB2 GLU A 63 8.044 -8.608 -2.762 1.00 0.00 H new ATOM 0 HB3 GLU A 63 9.109 -8.196 -1.433 1.00 0.00 H new ATOM 0 HG2 GLU A 63 7.156 -8.848 0.153 1.00 0.00 H new ATOM 0 HG3 GLU A 63 6.363 -9.526 -1.256 1.00 0.00 H new ATOM 1009 N VAL A 64 6.824 -5.638 -3.613 1.00 0.00 N ATOM 1010 CA VAL A 64 7.154 -4.779 -4.800 1.00 0.00 C ATOM 1011 C VAL A 64 6.941 -3.306 -4.446 1.00 0.00 C ATOM 1012 O VAL A 64 7.628 -2.435 -4.941 1.00 0.00 O ATOM 1013 CB VAL A 64 6.232 -5.140 -5.965 1.00 0.00 C ATOM 1014 CG1 VAL A 64 6.616 -4.320 -7.201 1.00 0.00 C ATOM 1015 CG2 VAL A 64 6.372 -6.627 -6.279 1.00 0.00 C ATOM 0 H VAL A 64 5.839 -5.883 -3.516 1.00 0.00 H new ATOM 0 HA VAL A 64 8.194 -4.946 -5.081 1.00 0.00 H new ATOM 0 HB VAL A 64 5.200 -4.918 -5.692 1.00 0.00 H new ATOM 0 HG11 VAL A 64 5.957 -4.580 -8.029 1.00 0.00 H new ATOM 0 HG12 VAL A 64 6.517 -3.258 -6.978 1.00 0.00 H new ATOM 0 HG13 VAL A 64 7.648 -4.538 -7.476 1.00 0.00 H new ATOM 0 HG21 VAL A 64 5.715 -6.887 -7.109 1.00 0.00 H new ATOM 0 HG22 VAL A 64 7.405 -6.846 -6.551 1.00 0.00 H new ATOM 0 HG23 VAL A 64 6.096 -7.212 -5.402 1.00 0.00 H new ATOM 1025 N ILE A 65 5.994 -3.021 -3.596 1.00 0.00 N ATOM 1026 CA ILE A 65 5.729 -1.603 -3.218 1.00 0.00 C ATOM 1027 C ILE A 65 6.665 -1.191 -2.071 1.00 0.00 C ATOM 1028 O ILE A 65 6.893 -0.020 -1.842 1.00 0.00 O ATOM 1029 CB ILE A 65 4.261 -1.463 -2.772 1.00 0.00 C ATOM 1030 CG1 ILE A 65 3.309 -1.846 -3.942 1.00 0.00 C ATOM 1031 CG2 ILE A 65 3.998 -0.014 -2.331 1.00 0.00 C ATOM 1032 CD1 ILE A 65 2.911 -3.328 -3.841 1.00 0.00 C ATOM 0 H ILE A 65 5.391 -3.709 -3.146 1.00 0.00 H new ATOM 0 HA ILE A 65 5.911 -0.955 -4.075 1.00 0.00 H new ATOM 0 HB ILE A 65 4.072 -2.135 -1.935 1.00 0.00 H new ATOM 0 HG12 ILE A 65 2.417 -1.220 -3.914 1.00 0.00 H new ATOM 0 HG13 ILE A 65 3.801 -1.658 -4.897 1.00 0.00 H new ATOM 0 HG21 ILE A 65 2.960 0.087 -2.015 1.00 0.00 H new ATOM 0 HG22 ILE A 65 4.657 0.239 -1.500 1.00 0.00 H new ATOM 0 HG23 ILE A 65 4.191 0.661 -3.165 1.00 0.00 H new ATOM 0 HD11 ILE A 65 2.245 -3.583 -4.665 1.00 0.00 H new ATOM 0 HD12 ILE A 65 3.805 -3.949 -3.892 1.00 0.00 H new ATOM 0 HD13 ILE A 65 2.400 -3.504 -2.894 1.00 0.00 H new ATOM 1044 N TRP A 66 7.210 -2.145 -1.349 1.00 0.00 N ATOM 1045 CA TRP A 66 8.138 -1.813 -0.213 1.00 0.00 C ATOM 1046 C TRP A 66 9.379 -2.732 -0.244 1.00 0.00 C ATOM 1047 O TRP A 66 9.553 -3.543 0.641 1.00 0.00 O ATOM 1048 CB TRP A 66 7.394 -2.016 1.112 1.00 0.00 C ATOM 1049 CG TRP A 66 6.345 -0.960 1.248 1.00 0.00 C ATOM 1050 CD1 TRP A 66 6.574 0.318 1.638 1.00 0.00 C ATOM 1051 CD2 TRP A 66 4.913 -1.063 0.998 1.00 0.00 C ATOM 1052 NE1 TRP A 66 5.372 1.009 1.638 1.00 0.00 N ATOM 1053 CE2 TRP A 66 4.319 0.205 1.249 1.00 0.00 C ATOM 1054 CE3 TRP A 66 4.076 -2.122 0.576 1.00 0.00 C ATOM 1055 CZ2 TRP A 66 2.939 0.414 1.088 1.00 0.00 C ATOM 1056 CZ3 TRP A 66 2.687 -1.916 0.410 1.00 0.00 C ATOM 1057 CH2 TRP A 66 2.122 -0.650 0.666 1.00 0.00 C ATOM 0 H TRP A 66 7.053 -3.142 -1.497 1.00 0.00 H new ATOM 0 HA TRP A 66 8.464 -0.778 -0.310 1.00 0.00 H new ATOM 0 HB2 TRP A 66 6.938 -3.006 1.140 1.00 0.00 H new ATOM 0 HB3 TRP A 66 8.092 -1.963 1.948 1.00 0.00 H new ATOM 0 HD1 TRP A 66 7.536 0.731 1.905 1.00 0.00 H new ATOM 0 HE1 TRP A 66 5.277 1.992 1.894 1.00 0.00 H new ATOM 0 HE3 TRP A 66 4.501 -3.095 0.379 1.00 0.00 H new ATOM 0 HZ2 TRP A 66 2.509 1.384 1.287 1.00 0.00 H new ATOM 0 HZ3 TRP A 66 2.057 -2.731 0.086 1.00 0.00 H new ATOM 0 HH2 TRP A 66 1.061 -0.497 0.538 1.00 0.00 H new ATOM 1068 N PRO A 67 10.208 -2.587 -1.257 1.00 0.00 N ATOM 1069 CA PRO A 67 11.430 -3.413 -1.397 1.00 0.00 C ATOM 1070 C PRO A 67 12.502 -3.040 -0.347 1.00 0.00 C ATOM 1071 O PRO A 67 13.340 -3.848 -0.001 1.00 0.00 O ATOM 1072 CB PRO A 67 11.941 -3.094 -2.824 1.00 0.00 C ATOM 1073 CG PRO A 67 11.193 -1.819 -3.301 1.00 0.00 C ATOM 1074 CD PRO A 67 10.001 -1.606 -2.345 1.00 0.00 C ATOM 0 HA PRO A 67 11.221 -4.471 -1.241 1.00 0.00 H new ATOM 0 HB2 PRO A 67 13.019 -2.930 -2.820 1.00 0.00 H new ATOM 0 HB3 PRO A 67 11.748 -3.929 -3.498 1.00 0.00 H new ATOM 0 HG2 PRO A 67 11.857 -0.955 -3.286 1.00 0.00 H new ATOM 0 HG3 PRO A 67 10.847 -1.937 -4.328 1.00 0.00 H new ATOM 0 HD2 PRO A 67 9.980 -0.587 -1.960 1.00 0.00 H new ATOM 0 HD3 PRO A 67 9.052 -1.774 -2.853 1.00 0.00 H new ATOM 1082 N SER A 68 12.515 -1.822 0.131 1.00 0.00 N ATOM 1083 CA SER A 68 13.577 -1.419 1.111 1.00 0.00 C ATOM 1084 C SER A 68 13.237 -1.863 2.538 1.00 0.00 C ATOM 1085 O SER A 68 14.066 -1.791 3.423 1.00 0.00 O ATOM 1086 CB SER A 68 13.722 0.100 1.089 1.00 0.00 C ATOM 1087 OG SER A 68 12.523 0.687 1.577 1.00 0.00 O ATOM 0 H SER A 68 11.844 -1.093 -0.110 1.00 0.00 H new ATOM 0 HA SER A 68 14.507 -1.906 0.818 1.00 0.00 H new ATOM 0 HB2 SER A 68 14.568 0.406 1.704 1.00 0.00 H new ATOM 0 HB3 SER A 68 13.924 0.444 0.075 1.00 0.00 H new ATOM 0 HG SER A 68 11.751 0.226 1.187 1.00 0.00 H new ATOM 1093 N ARG A 69 12.036 -2.315 2.781 1.00 0.00 N ATOM 1094 CA ARG A 69 11.664 -2.751 4.168 1.00 0.00 C ATOM 1095 C ARG A 69 11.816 -4.271 4.294 1.00 0.00 C ATOM 1096 O ARG A 69 11.852 -4.808 5.382 1.00 0.00 O ATOM 1097 CB ARG A 69 10.206 -2.366 4.444 1.00 0.00 C ATOM 1098 CG ARG A 69 10.068 -0.834 4.457 1.00 0.00 C ATOM 1099 CD ARG A 69 10.879 -0.229 5.623 1.00 0.00 C ATOM 1100 NE ARG A 69 10.111 0.905 6.231 1.00 0.00 N ATOM 1101 CZ ARG A 69 9.617 1.864 5.491 1.00 0.00 C ATOM 1102 NH1 ARG A 69 9.910 1.937 4.222 1.00 0.00 N ATOM 1103 NH2 ARG A 69 8.860 2.777 6.036 1.00 0.00 N ATOM 0 H ARG A 69 11.295 -2.403 2.085 1.00 0.00 H new ATOM 0 HA ARG A 69 12.321 -2.262 4.888 1.00 0.00 H new ATOM 0 HB2 ARG A 69 9.556 -2.793 3.680 1.00 0.00 H new ATOM 0 HB3 ARG A 69 9.886 -2.778 5.401 1.00 0.00 H new ATOM 0 HG2 ARG A 69 10.419 -0.423 3.510 1.00 0.00 H new ATOM 0 HG3 ARG A 69 9.018 -0.558 4.555 1.00 0.00 H new ATOM 0 HD2 ARG A 69 11.078 -0.992 6.376 1.00 0.00 H new ATOM 0 HD3 ARG A 69 11.845 0.124 5.263 1.00 0.00 H new ATOM 0 HE ARG A 69 9.971 0.930 7.241 1.00 0.00 H new ATOM 0 HH11 ARG A 69 10.528 1.244 3.801 1.00 0.00 H new ATOM 0 HH12 ARG A 69 9.521 2.688 3.651 1.00 0.00 H new ATOM 0 HH21 ARG A 69 8.656 2.741 7.035 1.00 0.00 H new ATOM 0 HH22 ARG A 69 8.473 3.527 5.463 1.00 0.00 H new ATOM 1117 N TYR A 70 11.915 -4.964 3.187 1.00 0.00 N ATOM 1118 CA TYR A 70 12.071 -6.460 3.222 1.00 0.00 C ATOM 1119 C TYR A 70 13.507 -6.835 2.822 1.00 0.00 C ATOM 1120 O TYR A 70 14.207 -6.064 2.198 1.00 0.00 O ATOM 1121 CB TYR A 70 11.089 -7.088 2.222 1.00 0.00 C ATOM 1122 CG TYR A 70 9.708 -7.174 2.832 1.00 0.00 C ATOM 1123 CD1 TYR A 70 9.417 -8.162 3.795 1.00 0.00 C ATOM 1124 CD2 TYR A 70 8.713 -6.270 2.434 1.00 0.00 C ATOM 1125 CE1 TYR A 70 8.126 -8.239 4.357 1.00 0.00 C ATOM 1126 CE2 TYR A 70 7.422 -6.344 2.994 1.00 0.00 C ATOM 1127 CZ TYR A 70 7.129 -7.328 3.954 1.00 0.00 C ATOM 1128 OH TYR A 70 5.861 -7.401 4.499 1.00 0.00 O ATOM 0 H TYR A 70 11.895 -4.559 2.251 1.00 0.00 H new ATOM 0 HA TYR A 70 11.865 -6.827 4.227 1.00 0.00 H new ATOM 0 HB2 TYR A 70 11.056 -6.492 1.310 1.00 0.00 H new ATOM 0 HB3 TYR A 70 11.433 -8.083 1.939 1.00 0.00 H new ATOM 0 HD1 TYR A 70 10.182 -8.859 4.102 1.00 0.00 H new ATOM 0 HD2 TYR A 70 8.937 -5.514 1.696 1.00 0.00 H new ATOM 0 HE1 TYR A 70 7.902 -8.995 5.095 1.00 0.00 H new ATOM 0 HE2 TYR A 70 6.658 -5.645 2.686 1.00 0.00 H new ATOM 0 HH TYR A 70 5.298 -6.699 4.112 1.00 0.00 H new ATOM 1138 N GLN A 71 13.947 -8.017 3.175 1.00 0.00 N ATOM 1139 CA GLN A 71 15.333 -8.442 2.807 1.00 0.00 C ATOM 1140 C GLN A 71 15.446 -9.968 2.895 1.00 0.00 C ATOM 1141 O GLN A 71 15.901 -10.509 3.882 1.00 0.00 O ATOM 1142 CB GLN A 71 16.340 -7.805 3.767 1.00 0.00 C ATOM 1143 CG GLN A 71 17.761 -8.013 3.235 1.00 0.00 C ATOM 1144 CD GLN A 71 18.010 -7.079 2.048 1.00 0.00 C ATOM 1145 OE1 GLN A 71 18.122 -5.881 2.215 1.00 0.00 O ATOM 1146 NE2 GLN A 71 18.101 -7.579 0.845 1.00 0.00 N ATOM 0 H GLN A 71 13.408 -8.705 3.701 1.00 0.00 H new ATOM 0 HA GLN A 71 15.546 -8.119 1.788 1.00 0.00 H new ATOM 0 HB2 GLN A 71 16.133 -6.740 3.873 1.00 0.00 H new ATOM 0 HB3 GLN A 71 16.243 -8.249 4.758 1.00 0.00 H new ATOM 0 HG2 GLN A 71 18.487 -7.816 4.024 1.00 0.00 H new ATOM 0 HG3 GLN A 71 17.897 -9.050 2.929 1.00 0.00 H new ATOM 0 HE21 GLN A 71 18.007 -8.585 0.702 1.00 0.00 H new ATOM 0 HE22 GLN A 71 18.266 -6.964 0.048 1.00 0.00 H new ATOM 1155 N ALA A 72 15.033 -10.668 1.872 1.00 0.00 N ATOM 1156 CA ALA A 72 15.118 -12.157 1.908 1.00 0.00 C ATOM 1157 C ALA A 72 14.513 -12.670 3.216 1.00 0.00 C ATOM 1158 O ALA A 72 14.657 -13.823 3.569 1.00 0.00 O ATOM 1159 CB ALA A 72 16.585 -12.590 1.824 1.00 0.00 C ATOM 0 H ALA A 72 14.642 -10.275 1.016 1.00 0.00 H new ATOM 0 HA ALA A 72 14.568 -12.571 1.063 1.00 0.00 H new ATOM 0 HB1 ALA A 72 16.645 -13.678 1.850 1.00 0.00 H new ATOM 0 HB2 ALA A 72 17.019 -12.225 0.893 1.00 0.00 H new ATOM 0 HB3 ALA A 72 17.136 -12.175 2.668 1.00 0.00 H new ATOM 1165 N GLY A 73 13.837 -11.820 3.941 1.00 0.00 N ATOM 1166 CA GLY A 73 13.226 -12.252 5.231 1.00 0.00 C ATOM 1167 C GLY A 73 12.183 -13.340 4.973 1.00 0.00 C ATOM 1168 O GLY A 73 11.418 -13.272 4.030 1.00 0.00 O ATOM 0 H GLY A 73 13.681 -10.843 3.695 1.00 0.00 H new ATOM 0 HA2 GLY A 73 13.999 -12.628 5.902 1.00 0.00 H new ATOM 0 HA3 GLY A 73 12.761 -11.400 5.727 1.00 0.00 H new ATOM 1172 N GLU A 74 12.143 -14.347 5.806 1.00 0.00 N ATOM 1173 CA GLU A 74 11.148 -15.445 5.618 1.00 0.00 C ATOM 1174 C GLU A 74 10.716 -15.974 6.987 1.00 0.00 C ATOM 1175 O GLU A 74 9.551 -16.307 7.131 1.00 0.00 O ATOM 1176 CB GLU A 74 11.786 -16.578 4.811 1.00 0.00 C ATOM 1177 CG GLU A 74 10.707 -17.581 4.394 1.00 0.00 C ATOM 1178 CD GLU A 74 9.820 -16.957 3.314 1.00 0.00 C ATOM 1179 OE1 GLU A 74 10.170 -15.894 2.829 1.00 0.00 O ATOM 1180 OE2 GLU A 74 8.805 -17.553 2.992 1.00 0.00 O ATOM 1181 OXT GLU A 74 11.559 -16.037 7.866 1.00 0.00 O ATOM 0 H GLU A 74 12.759 -14.457 6.612 1.00 0.00 H new ATOM 0 HA GLU A 74 10.279 -15.064 5.082 1.00 0.00 H new ATOM 0 HB2 GLU A 74 12.283 -16.175 3.929 1.00 0.00 H new ATOM 0 HB3 GLU A 74 12.550 -17.077 5.407 1.00 0.00 H new ATOM 0 HG2 GLU A 74 11.170 -18.493 4.017 1.00 0.00 H new ATOM 0 HG3 GLU A 74 10.104 -17.862 5.257 1.00 0.00 H new TER 1188 GLU A 74