USER MOD reduce.3.24.130724 H: found=0, std=0, add=591, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 589 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 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 75 ASN : amide:sc= 0 X(o=0,f=-0.37) USER MOD Set 2.1: A 21 SER OG : rot 180:sc= -0.192 USER MOD Set 2.2: A 23 HIS : no HD1:sc= -1.71 X(o=-1.1,f=-1.4) USER MOD Set 2.3: A 55 SER OG : rot -100:sc= 0.773 USER MOD Set 3.1: A 5 CYS SG : rot -124:sc= -1.96! USER MOD Set 3.2: A 10 CYS SG : rot 50:sc= -0.073 USER MOD Set 3.3: A 12 ASN : amide:sc= -9.26! C(o=-17!,f=-19!) USER MOD Set 3.4: A 54 CYS SG : rot -65:sc= -2.21 USER MOD Set 3.5: A 57 HIS : no HD1:sc= -3.41 K(o=-17,f=-22!) USER MOD Single : A 3 GLN : amide:sc= -0.434 K(o=-0.43,f=-2.1) USER MOD Single : A 4 SER OG : rot 180:sc= 0.0138 USER MOD Single : A 6 SER OG : rot 150:sc= -2.97! USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ -165:sc=-0.00986 (180deg=-0.248) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ -149:sc= -0.341 (180deg=-1.41!) USER MOD Single : A 18 LYS NZ :NH3+ -153:sc= -0.347 (180deg=-1.36!) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 THR OG1 : rot -82:sc= 0.13 USER MOD Single : A 31 SER OG : rot 180:sc= -0.484 USER MOD Single : A 33 CYS SG : rot 129:sc= 0.00636 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 ASN : amide:sc= -0.411 K(o=-0.41,f=-2) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= -1.53 (180deg=-1.53) USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot -140:sc= -1.25 USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 59 THR OG1 : rot 180:sc= -0.0409 USER MOD Single : A 62 CYS SG : rot 29:sc= 0.216 USER MOD Single : A 79 THR OG1 : rot 180:sc= -0.0581 USER MOD ----------------------------------------------------------------- ATOM 20 N VAL A 2 -9.358 10.806 10.138 1.00 0.00 N ATOM 21 CA VAL A 2 -9.308 9.883 11.272 1.00 0.00 C ATOM 22 C VAL A 2 -8.181 8.863 11.115 1.00 0.00 C ATOM 23 O VAL A 2 -8.173 7.825 11.777 1.00 0.00 O ATOM 24 CB VAL A 2 -10.652 9.147 11.478 1.00 0.00 C ATOM 25 CG1 VAL A 2 -11.795 10.146 11.564 1.00 0.00 C ATOM 26 CG2 VAL A 2 -10.913 8.131 10.370 1.00 0.00 C ATOM 0 HA VAL A 2 -9.111 10.491 12.155 1.00 0.00 H new ATOM 0 HB VAL A 2 -10.589 8.600 12.419 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -12.734 9.612 11.709 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -11.627 10.820 12.404 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -11.844 10.723 10.641 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -11.866 7.634 10.549 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -10.945 8.642 9.408 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -10.114 7.390 10.360 1.00 0.00 H new ATOM 36 N GLN A 3 -7.235 9.164 10.231 1.00 0.00 N ATOM 37 CA GLN A 3 -6.108 8.282 9.972 1.00 0.00 C ATOM 38 C GLN A 3 -5.124 8.979 9.054 1.00 0.00 C ATOM 39 O GLN A 3 -5.514 9.610 8.076 1.00 0.00 O ATOM 40 CB GLN A 3 -6.593 6.983 9.320 1.00 0.00 C ATOM 41 CG GLN A 3 -5.508 6.139 8.647 1.00 0.00 C ATOM 42 CD GLN A 3 -5.315 4.795 9.323 1.00 0.00 C ATOM 43 OE1 GLN A 3 -6.271 4.185 9.800 1.00 0.00 O ATOM 44 NE2 GLN A 3 -4.073 4.328 9.367 1.00 0.00 N ATOM 0 H GLN A 3 -7.230 10.021 9.678 1.00 0.00 H new ATOM 0 HA GLN A 3 -5.619 8.040 10.916 1.00 0.00 H new ATOM 0 HB2 GLN A 3 -7.082 6.375 10.081 1.00 0.00 H new ATOM 0 HB3 GLN A 3 -7.350 7.231 8.576 1.00 0.00 H new ATOM 0 HG2 GLN A 3 -5.771 5.982 7.601 1.00 0.00 H new ATOM 0 HG3 GLN A 3 -4.566 6.687 8.660 1.00 0.00 H new ATOM 0 HE21 GLN A 3 -3.310 4.868 8.958 1.00 0.00 H new ATOM 0 HE22 GLN A 3 -3.881 3.429 9.809 1.00 0.00 H new ATOM 53 N SER A 4 -3.855 8.858 9.372 1.00 0.00 N ATOM 54 CA SER A 4 -2.813 9.478 8.568 1.00 0.00 C ATOM 55 C SER A 4 -2.157 8.476 7.629 1.00 0.00 C ATOM 56 O SER A 4 -2.367 7.267 7.724 1.00 0.00 O ATOM 57 CB SER A 4 -1.746 10.125 9.445 1.00 0.00 C ATOM 58 OG SER A 4 -2.014 9.912 10.820 1.00 0.00 O ATOM 0 H SER A 4 -3.514 8.337 10.180 1.00 0.00 H new ATOM 0 HA SER A 4 -3.298 10.250 7.971 1.00 0.00 H new ATOM 0 HB2 SER A 4 -0.768 9.714 9.195 1.00 0.00 H new ATOM 0 HB3 SER A 4 -1.704 11.195 9.242 1.00 0.00 H new ATOM 0 HG SER A 4 -1.314 10.336 11.359 1.00 0.00 H new ATOM 64 N CYS A 5 -1.366 9.015 6.717 1.00 0.00 N ATOM 65 CA CYS A 5 -0.655 8.231 5.723 1.00 0.00 C ATOM 66 C CYS A 5 0.765 8.788 5.563 1.00 0.00 C ATOM 67 O CYS A 5 1.112 9.782 6.200 1.00 0.00 O ATOM 68 CB CYS A 5 -1.478 8.258 4.428 1.00 0.00 C ATOM 69 SG CYS A 5 -0.691 9.051 3.013 1.00 0.00 S ATOM 0 H CYS A 5 -1.198 10.019 6.646 1.00 0.00 H new ATOM 0 HA CYS A 5 -0.542 7.189 6.021 1.00 0.00 H new ATOM 0 HB2 CYS A 5 -1.724 7.232 4.155 1.00 0.00 H new ATOM 0 HB3 CYS A 5 -2.420 8.769 4.629 1.00 0.00 H new ATOM 0 HG CYS A 5 -1.457 10.003 2.568 1.00 0.00 H new ATOM 74 N SER A 6 1.591 8.145 4.743 1.00 0.00 N ATOM 75 CA SER A 6 2.967 8.602 4.561 1.00 0.00 C ATOM 76 C SER A 6 3.013 9.903 3.779 1.00 0.00 C ATOM 77 O SER A 6 3.743 10.831 4.129 1.00 0.00 O ATOM 78 CB SER A 6 3.794 7.534 3.848 1.00 0.00 C ATOM 79 OG SER A 6 5.163 7.894 3.819 1.00 0.00 O ATOM 0 H SER A 6 1.338 7.319 4.201 1.00 0.00 H new ATOM 0 HA SER A 6 3.393 8.781 5.548 1.00 0.00 H new ATOM 0 HB2 SER A 6 3.676 6.577 4.356 1.00 0.00 H new ATOM 0 HB3 SER A 6 3.426 7.402 2.830 1.00 0.00 H new ATOM 0 HG SER A 6 5.714 7.084 3.823 1.00 0.00 H new ATOM 85 N ALA A 7 2.224 9.957 2.719 1.00 0.00 N ATOM 86 CA ALA A 7 2.151 11.139 1.861 1.00 0.00 C ATOM 87 C ALA A 7 2.097 12.426 2.684 1.00 0.00 C ATOM 88 O ALA A 7 1.268 12.568 3.584 1.00 0.00 O ATOM 89 CB ALA A 7 0.943 11.048 0.941 1.00 0.00 C ATOM 0 H ALA A 7 1.618 9.191 2.426 1.00 0.00 H new ATOM 0 HA ALA A 7 3.057 11.169 1.256 1.00 0.00 H new ATOM 0 HB1 ALA A 7 0.900 11.934 0.308 1.00 0.00 H new ATOM 0 HB2 ALA A 7 1.028 10.159 0.316 1.00 0.00 H new ATOM 0 HB3 ALA A 7 0.034 10.986 1.539 1.00 0.00 H new ATOM 95 N TYR A 8 2.993 13.357 2.372 1.00 0.00 N ATOM 96 CA TYR A 8 3.060 14.632 3.081 1.00 0.00 C ATOM 97 C TYR A 8 1.820 15.482 2.820 1.00 0.00 C ATOM 98 O TYR A 8 1.404 15.659 1.675 1.00 0.00 O ATOM 99 CB TYR A 8 4.314 15.400 2.659 1.00 0.00 C ATOM 100 CG TYR A 8 4.604 16.612 3.518 1.00 0.00 C ATOM 101 CD1 TYR A 8 4.799 16.486 4.887 1.00 0.00 C ATOM 102 CD2 TYR A 8 4.683 17.880 2.957 1.00 0.00 C ATOM 103 CE1 TYR A 8 5.065 17.590 5.674 1.00 0.00 C ATOM 104 CE2 TYR A 8 4.949 18.990 3.737 1.00 0.00 C ATOM 105 CZ TYR A 8 5.138 18.840 5.095 1.00 0.00 C ATOM 106 OH TYR A 8 5.403 19.941 5.876 1.00 0.00 O ATOM 0 H TYR A 8 3.685 13.253 1.630 1.00 0.00 H new ATOM 0 HA TYR A 8 3.105 14.419 4.149 1.00 0.00 H new ATOM 0 HB2 TYR A 8 5.171 14.727 2.695 1.00 0.00 H new ATOM 0 HB3 TYR A 8 4.202 15.719 1.623 1.00 0.00 H new ATOM 0 HD1 TYR A 8 4.742 15.509 5.344 1.00 0.00 H new ATOM 0 HD2 TYR A 8 4.534 18.001 1.894 1.00 0.00 H new ATOM 0 HE1 TYR A 8 5.215 17.475 6.737 1.00 0.00 H new ATOM 0 HE2 TYR A 8 5.008 19.969 3.285 1.00 0.00 H new ATOM 0 HH TYR A 8 5.422 20.744 5.314 1.00 0.00 H new ATOM 116 N GLY A 9 1.236 16.014 3.893 1.00 0.00 N ATOM 117 CA GLY A 9 0.054 16.849 3.766 1.00 0.00 C ATOM 118 C GLY A 9 -1.049 16.189 2.969 1.00 0.00 C ATOM 119 O GLY A 9 -1.612 16.788 2.052 1.00 0.00 O ATOM 0 H GLY A 9 1.563 15.880 4.850 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -0.320 17.095 4.760 1.00 0.00 H new ATOM 0 HA3 GLY A 9 0.329 17.789 3.287 1.00 0.00 H new ATOM 123 N CYS A 10 -1.353 14.954 3.321 1.00 0.00 N ATOM 124 CA CYS A 10 -2.387 14.195 2.646 1.00 0.00 C ATOM 125 C CYS A 10 -3.771 14.537 3.209 1.00 0.00 C ATOM 126 O CYS A 10 -3.884 15.068 4.314 1.00 0.00 O ATOM 127 CB CYS A 10 -2.100 12.698 2.785 1.00 0.00 C ATOM 128 SG CYS A 10 -3.167 11.658 1.767 1.00 0.00 S ATOM 0 H CYS A 10 -0.892 14.451 4.079 1.00 0.00 H new ATOM 0 HA CYS A 10 -2.385 14.460 1.589 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -1.061 12.510 2.516 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -2.216 12.410 3.830 1.00 0.00 H new ATOM 0 HG CYS A 10 -3.171 12.104 0.546 1.00 0.00 H new ATOM 133 N LYS A 11 -4.819 14.234 2.443 1.00 0.00 N ATOM 134 CA LYS A 11 -6.186 14.514 2.863 1.00 0.00 C ATOM 135 C LYS A 11 -6.986 13.225 3.012 1.00 0.00 C ATOM 136 O LYS A 11 -8.203 13.200 2.828 1.00 0.00 O ATOM 137 CB LYS A 11 -6.873 15.446 1.865 1.00 0.00 C ATOM 138 CG LYS A 11 -8.164 16.051 2.388 1.00 0.00 C ATOM 139 CD LYS A 11 -7.909 17.382 3.071 1.00 0.00 C ATOM 140 CE LYS A 11 -9.122 17.841 3.865 1.00 0.00 C ATOM 141 NZ LYS A 11 -10.382 17.701 3.084 1.00 0.00 N ATOM 0 H LYS A 11 -4.744 13.793 1.526 1.00 0.00 H new ATOM 0 HA LYS A 11 -6.144 15.007 3.834 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -6.186 16.250 1.599 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -7.085 14.892 0.950 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -8.863 16.190 1.564 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -8.633 15.362 3.091 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -7.050 17.293 3.736 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -7.656 18.134 2.323 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -9.197 17.258 4.783 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -8.991 18.882 4.159 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -11.138 18.247 3.544 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -10.234 18.059 2.119 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -10.655 16.698 3.043 1.00 0.00 H new ATOM 155 N ASN A 12 -6.277 12.162 3.344 1.00 0.00 N ATOM 156 CA ASN A 12 -6.862 10.846 3.530 1.00 0.00 C ATOM 157 C ASN A 12 -7.783 10.799 4.747 1.00 0.00 C ATOM 158 O ASN A 12 -7.753 11.684 5.602 1.00 0.00 O ATOM 159 CB ASN A 12 -5.732 9.852 3.719 1.00 0.00 C ATOM 160 CG ASN A 12 -4.869 10.237 4.900 1.00 0.00 C ATOM 161 OD1 ASN A 12 -5.373 10.568 5.970 1.00 0.00 O ATOM 162 ND2 ASN A 12 -3.566 10.210 4.703 1.00 0.00 N ATOM 0 H ASN A 12 -5.268 12.188 3.494 1.00 0.00 H new ATOM 0 HA ASN A 12 -7.463 10.603 2.654 1.00 0.00 H new ATOM 0 HB2 ASN A 12 -6.142 8.854 3.873 1.00 0.00 H new ATOM 0 HB3 ASN A 12 -5.123 9.811 2.816 1.00 0.00 H new ATOM 0 HD21 ASN A 12 -2.931 10.471 5.457 1.00 0.00 H new ATOM 0 HD22 ASN A 12 -3.193 9.928 3.796 1.00 0.00 H new ATOM 169 N ARG A 13 -8.589 9.744 4.817 1.00 0.00 N ATOM 170 CA ARG A 13 -9.517 9.551 5.935 1.00 0.00 C ATOM 171 C ARG A 13 -9.982 8.099 6.015 1.00 0.00 C ATOM 172 O ARG A 13 -10.670 7.610 5.119 1.00 0.00 O ATOM 173 CB ARG A 13 -10.730 10.478 5.807 1.00 0.00 C ATOM 174 CG ARG A 13 -11.034 10.916 4.381 1.00 0.00 C ATOM 175 CD ARG A 13 -10.555 12.335 4.116 1.00 0.00 C ATOM 176 NE ARG A 13 -11.497 13.334 4.617 1.00 0.00 N ATOM 177 CZ ARG A 13 -12.647 13.635 4.018 1.00 0.00 C ATOM 178 NH1 ARG A 13 -13.004 13.012 2.902 1.00 0.00 N ATOM 179 NH2 ARG A 13 -13.442 14.560 4.537 1.00 0.00 N ATOM 0 H ARG A 13 -8.621 9.006 4.113 1.00 0.00 H new ATOM 0 HA ARG A 13 -8.982 9.798 6.852 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -11.605 9.971 6.214 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -10.562 11.364 6.419 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -10.554 10.233 3.680 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -12.107 10.855 4.202 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -9.584 12.484 4.588 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -10.413 12.476 3.044 1.00 0.00 H new ATOM 0 HE ARG A 13 -11.259 13.830 5.476 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -12.396 12.299 2.499 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -13.886 13.246 2.447 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -13.172 15.041 5.395 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -14.323 14.791 4.078 1.00 0.00 H new ATOM 193 N TYR A 14 -9.608 7.415 7.094 1.00 0.00 N ATOM 194 CA TYR A 14 -9.987 6.024 7.290 1.00 0.00 C ATOM 195 C TYR A 14 -11.389 5.925 7.885 1.00 0.00 C ATOM 196 O TYR A 14 -11.554 5.830 9.100 1.00 0.00 O ATOM 197 CB TYR A 14 -8.972 5.347 8.206 1.00 0.00 C ATOM 198 CG TYR A 14 -9.092 3.838 8.258 1.00 0.00 C ATOM 199 CD1 TYR A 14 -10.191 3.221 8.846 1.00 0.00 C ATOM 200 CD2 TYR A 14 -8.098 3.029 7.721 1.00 0.00 C ATOM 201 CE1 TYR A 14 -10.294 1.843 8.896 1.00 0.00 C ATOM 202 CE2 TYR A 14 -8.196 1.651 7.767 1.00 0.00 C ATOM 203 CZ TYR A 14 -9.295 1.063 8.356 1.00 0.00 C ATOM 204 OH TYR A 14 -9.395 -0.307 8.403 1.00 0.00 O ATOM 0 H TYR A 14 -9.041 7.806 7.846 1.00 0.00 H new ATOM 0 HA TYR A 14 -9.995 5.519 6.324 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -7.968 5.609 7.873 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -9.088 5.744 9.214 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -10.977 3.828 9.271 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -7.234 3.485 7.260 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -11.154 1.380 9.357 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -7.415 1.037 7.343 1.00 0.00 H new ATOM 0 HH TYR A 14 -8.608 -0.707 7.977 1.00 0.00 H new ATOM 214 N ASP A 15 -12.396 5.955 7.020 1.00 0.00 N ATOM 215 CA ASP A 15 -13.784 5.872 7.462 1.00 0.00 C ATOM 216 C ASP A 15 -14.534 4.777 6.712 1.00 0.00 C ATOM 217 O ASP A 15 -14.201 4.453 5.572 1.00 0.00 O ATOM 218 CB ASP A 15 -14.484 7.215 7.262 1.00 0.00 C ATOM 219 CG ASP A 15 -15.825 7.279 7.966 1.00 0.00 C ATOM 220 OD1 ASP A 15 -15.907 6.834 9.130 1.00 0.00 O ATOM 221 OD2 ASP A 15 -16.794 7.774 7.354 1.00 0.00 O ATOM 0 H ASP A 15 -12.278 6.036 6.010 1.00 0.00 H new ATOM 0 HA ASP A 15 -13.785 5.622 8.523 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -13.843 8.014 7.634 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -14.628 7.391 6.196 1.00 0.00 H new ATOM 226 N LYS A 16 -15.548 4.210 7.358 1.00 0.00 N ATOM 227 CA LYS A 16 -16.346 3.149 6.746 1.00 0.00 C ATOM 228 C LYS A 16 -16.998 3.637 5.458 1.00 0.00 C ATOM 229 O LYS A 16 -17.266 2.854 4.547 1.00 0.00 O ATOM 230 CB LYS A 16 -17.420 2.645 7.717 1.00 0.00 C ATOM 231 CG LYS A 16 -18.515 3.661 8.008 1.00 0.00 C ATOM 232 CD LYS A 16 -19.895 3.102 7.691 1.00 0.00 C ATOM 233 CE LYS A 16 -20.981 3.811 8.483 1.00 0.00 C ATOM 234 NZ LYS A 16 -20.636 3.920 9.928 1.00 0.00 N ATOM 0 H LYS A 16 -15.837 4.465 8.302 1.00 0.00 H new ATOM 0 HA LYS A 16 -15.675 2.323 6.508 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -17.874 1.744 7.305 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -16.943 2.361 8.655 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -18.472 3.953 9.057 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -18.342 4.562 7.419 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -20.094 3.207 6.625 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -19.917 2.036 7.916 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -21.138 4.808 8.071 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -21.921 3.270 8.374 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -21.507 3.900 10.495 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -20.027 3.122 10.201 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -20.132 4.814 10.098 1.00 0.00 H new ATOM 248 N ASP A 17 -17.242 4.938 5.391 1.00 0.00 N ATOM 249 CA ASP A 17 -17.853 5.547 4.223 1.00 0.00 C ATOM 250 C ASP A 17 -16.803 5.801 3.152 1.00 0.00 C ATOM 251 O ASP A 17 -16.931 5.349 2.015 1.00 0.00 O ATOM 252 CB ASP A 17 -18.522 6.862 4.619 1.00 0.00 C ATOM 253 CG ASP A 17 -20.030 6.808 4.470 1.00 0.00 C ATOM 254 OD1 ASP A 17 -20.507 6.280 3.444 1.00 0.00 O ATOM 255 OD2 ASP A 17 -20.734 7.295 5.380 1.00 0.00 O ATOM 0 H ASP A 17 -17.023 5.595 6.140 1.00 0.00 H new ATOM 0 HA ASP A 17 -18.605 4.868 3.821 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -18.269 7.099 5.653 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -18.127 7.669 4.002 1.00 0.00 H new ATOM 260 N LYS A 18 -15.759 6.526 3.535 1.00 0.00 N ATOM 261 CA LYS A 18 -14.670 6.844 2.622 1.00 0.00 C ATOM 262 C LYS A 18 -14.017 5.564 2.103 1.00 0.00 C ATOM 263 O LYS A 18 -13.420 4.812 2.873 1.00 0.00 O ATOM 264 CB LYS A 18 -13.628 7.710 3.332 1.00 0.00 C ATOM 265 CG LYS A 18 -12.469 8.123 2.440 1.00 0.00 C ATOM 266 CD LYS A 18 -12.675 9.516 1.867 1.00 0.00 C ATOM 267 CE LYS A 18 -13.138 9.463 0.421 1.00 0.00 C ATOM 268 NZ LYS A 18 -12.214 8.663 -0.430 1.00 0.00 N ATOM 0 H LYS A 18 -15.644 6.905 4.475 1.00 0.00 H new ATOM 0 HA LYS A 18 -15.077 7.396 1.775 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -14.115 8.605 3.719 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -13.238 7.163 4.190 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -11.541 8.097 3.012 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -12.362 7.406 1.626 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -13.412 10.051 2.466 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -11.743 10.078 1.931 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -14.138 9.032 0.376 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -13.210 10.476 0.026 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -12.268 9.000 -1.413 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -11.240 8.770 -0.081 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -12.488 7.660 -0.392 1.00 0.00 H new ATOM 282 N PRO A 19 -14.130 5.287 0.790 1.00 0.00 N ATOM 283 CA PRO A 19 -13.557 4.078 0.178 1.00 0.00 C ATOM 284 C PRO A 19 -12.037 4.082 0.104 1.00 0.00 C ATOM 285 O PRO A 19 -11.444 3.546 -0.832 1.00 0.00 O ATOM 286 CB PRO A 19 -14.126 4.101 -1.230 1.00 0.00 C ATOM 287 CG PRO A 19 -14.374 5.551 -1.496 1.00 0.00 C ATOM 288 CD PRO A 19 -14.841 6.106 -0.204 1.00 0.00 C ATOM 0 HA PRO A 19 -13.804 3.195 0.767 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -13.426 3.677 -1.950 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -15.045 3.520 -1.299 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -13.466 6.051 -1.835 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -15.122 5.686 -2.277 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -14.593 7.163 -0.107 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -15.922 6.021 -0.097 1.00 0.00 H new ATOM 296 N VAL A 20 -11.422 4.686 1.089 1.00 0.00 N ATOM 297 CA VAL A 20 -9.972 4.774 1.159 1.00 0.00 C ATOM 298 C VAL A 20 -9.401 3.777 2.166 1.00 0.00 C ATOM 299 O VAL A 20 -9.825 3.735 3.322 1.00 0.00 O ATOM 300 CB VAL A 20 -9.519 6.205 1.526 1.00 0.00 C ATOM 301 CG1 VAL A 20 -9.414 6.388 3.034 1.00 0.00 C ATOM 302 CG2 VAL A 20 -8.198 6.537 0.849 1.00 0.00 C ATOM 0 H VAL A 20 -11.905 5.133 1.868 1.00 0.00 H new ATOM 0 HA VAL A 20 -9.587 4.526 0.170 1.00 0.00 H new ATOM 0 HB VAL A 20 -10.278 6.898 1.163 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -9.093 7.406 3.256 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -10.387 6.207 3.491 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -8.687 5.683 3.436 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -7.895 7.549 1.119 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -7.435 5.830 1.174 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -8.317 6.470 -0.232 1.00 0.00 H new ATOM 312 N SER A 21 -8.430 2.990 1.723 1.00 0.00 N ATOM 313 CA SER A 21 -7.786 2.009 2.586 1.00 0.00 C ATOM 314 C SER A 21 -6.324 2.380 2.794 1.00 0.00 C ATOM 315 O SER A 21 -5.773 3.200 2.058 1.00 0.00 O ATOM 316 CB SER A 21 -7.889 0.608 1.984 1.00 0.00 C ATOM 317 OG SER A 21 -7.998 0.663 0.573 1.00 0.00 O ATOM 0 H SER A 21 -8.070 3.012 0.769 1.00 0.00 H new ATOM 0 HA SER A 21 -8.297 2.009 3.549 1.00 0.00 H new ATOM 0 HB2 SER A 21 -7.011 0.025 2.261 1.00 0.00 H new ATOM 0 HB3 SER A 21 -8.756 0.094 2.399 1.00 0.00 H new ATOM 0 HG SER A 21 -8.061 -0.247 0.214 1.00 0.00 H new ATOM 323 N PHE A 22 -5.698 1.781 3.798 1.00 0.00 N ATOM 324 CA PHE A 22 -4.300 2.064 4.094 1.00 0.00 C ATOM 325 C PHE A 22 -3.461 0.796 4.038 1.00 0.00 C ATOM 326 O PHE A 22 -3.939 -0.296 4.350 1.00 0.00 O ATOM 327 CB PHE A 22 -4.187 2.740 5.458 1.00 0.00 C ATOM 328 CG PHE A 22 -4.667 4.164 5.429 1.00 0.00 C ATOM 329 CD1 PHE A 22 -5.996 4.450 5.163 1.00 0.00 C ATOM 330 CD2 PHE A 22 -3.790 5.215 5.641 1.00 0.00 C ATOM 331 CE1 PHE A 22 -6.444 5.757 5.111 1.00 0.00 C ATOM 332 CE2 PHE A 22 -4.231 6.527 5.585 1.00 0.00 C ATOM 333 CZ PHE A 22 -5.561 6.796 5.319 1.00 0.00 C ATOM 0 H PHE A 22 -6.134 1.099 4.419 1.00 0.00 H new ATOM 0 HA PHE A 22 -3.912 2.743 3.335 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -4.768 2.178 6.189 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -3.149 2.715 5.789 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -6.692 3.641 4.994 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -2.751 5.009 5.852 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -7.484 5.964 4.908 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -3.537 7.338 5.749 1.00 0.00 H new ATOM 0 HZ PHE A 22 -5.908 7.818 5.274 1.00 0.00 H new ATOM 343 N HIS A 23 -2.214 0.946 3.609 1.00 0.00 N ATOM 344 CA HIS A 23 -1.307 -0.190 3.478 1.00 0.00 C ATOM 345 C HIS A 23 0.075 0.127 4.041 1.00 0.00 C ATOM 346 O HIS A 23 0.728 1.072 3.610 1.00 0.00 O ATOM 347 CB HIS A 23 -1.186 -0.581 2.008 1.00 0.00 C ATOM 348 CG HIS A 23 -2.489 -0.543 1.274 1.00 0.00 C ATOM 349 ND1 HIS A 23 -3.118 -1.671 0.792 1.00 0.00 N ATOM 350 CD2 HIS A 23 -3.288 0.500 0.949 1.00 0.00 C ATOM 351 CE1 HIS A 23 -4.248 -1.321 0.203 1.00 0.00 C ATOM 352 NE2 HIS A 23 -4.375 -0.011 0.284 1.00 0.00 N ATOM 0 H HIS A 23 -1.806 1.843 3.345 1.00 0.00 H new ATOM 0 HA HIS A 23 -1.720 -1.020 4.052 1.00 0.00 H new ATOM 0 HB2 HIS A 23 -0.482 0.091 1.518 1.00 0.00 H new ATOM 0 HB3 HIS A 23 -0.768 -1.586 1.940 1.00 0.00 H new ATOM 0 HD2 HIS A 23 -3.105 1.541 1.171 1.00 0.00 H new ATOM 0 HE1 HIS A 23 -4.950 -1.995 -0.266 1.00 0.00 H new ATOM 0 HE2 HIS A 23 -5.154 0.534 -0.087 1.00 0.00 H new ATOM 361 N LYS A 24 0.521 -0.680 4.993 1.00 0.00 N ATOM 362 CA LYS A 24 1.836 -0.496 5.608 1.00 0.00 C ATOM 363 C LYS A 24 2.942 -0.832 4.615 1.00 0.00 C ATOM 364 O LYS A 24 2.723 -1.596 3.674 1.00 0.00 O ATOM 365 CB LYS A 24 1.967 -1.380 6.850 1.00 0.00 C ATOM 366 CG LYS A 24 1.555 -0.684 8.138 1.00 0.00 C ATOM 367 CD LYS A 24 2.727 -0.543 9.097 1.00 0.00 C ATOM 368 CE LYS A 24 2.901 -1.790 9.951 1.00 0.00 C ATOM 369 NZ LYS A 24 3.284 -1.454 11.350 1.00 0.00 N ATOM 0 H LYS A 24 -0.007 -1.472 5.360 1.00 0.00 H new ATOM 0 HA LYS A 24 1.935 0.549 5.902 1.00 0.00 H new ATOM 0 HB2 LYS A 24 1.355 -2.272 6.717 1.00 0.00 H new ATOM 0 HB3 LYS A 24 3.001 -1.713 6.941 1.00 0.00 H new ATOM 0 HG2 LYS A 24 1.153 0.302 7.907 1.00 0.00 H new ATOM 0 HG3 LYS A 24 0.757 -1.249 8.619 1.00 0.00 H new ATOM 0 HD2 LYS A 24 3.640 -0.357 8.532 1.00 0.00 H new ATOM 0 HD3 LYS A 24 2.569 0.322 9.742 1.00 0.00 H new ATOM 0 HE2 LYS A 24 1.972 -2.360 9.956 1.00 0.00 H new ATOM 0 HE3 LYS A 24 3.665 -2.430 9.509 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 3.393 -2.330 11.900 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 4.184 -0.932 11.348 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 2.543 -0.865 11.781 1.00 0.00 H new ATOM 383 N PHE A 25 4.135 -0.270 4.819 1.00 0.00 N ATOM 384 CA PHE A 25 5.247 -0.543 3.917 1.00 0.00 C ATOM 385 C PHE A 25 5.500 -2.045 3.848 1.00 0.00 C ATOM 386 O PHE A 25 5.628 -2.713 4.874 1.00 0.00 O ATOM 387 CB PHE A 25 6.506 0.226 4.325 1.00 0.00 C ATOM 388 CG PHE A 25 6.837 1.326 3.349 1.00 0.00 C ATOM 389 CD1 PHE A 25 6.265 2.583 3.481 1.00 0.00 C ATOM 390 CD2 PHE A 25 7.697 1.095 2.285 1.00 0.00 C ATOM 391 CE1 PHE A 25 6.549 3.590 2.573 1.00 0.00 C ATOM 392 CE2 PHE A 25 7.979 2.097 1.370 1.00 0.00 C ATOM 393 CZ PHE A 25 7.406 3.345 1.515 1.00 0.00 C ATOM 0 H PHE A 25 4.351 0.365 5.587 1.00 0.00 H new ATOM 0 HA PHE A 25 4.979 -0.192 2.920 1.00 0.00 H new ATOM 0 HB2 PHE A 25 6.364 0.653 5.318 1.00 0.00 H new ATOM 0 HB3 PHE A 25 7.347 -0.464 4.392 1.00 0.00 H new ATOM 0 HD1 PHE A 25 5.590 2.779 4.301 1.00 0.00 H new ATOM 0 HD2 PHE A 25 8.152 0.123 2.168 1.00 0.00 H new ATOM 0 HE1 PHE A 25 6.102 4.566 2.691 1.00 0.00 H new ATOM 0 HE2 PHE A 25 8.647 1.902 0.544 1.00 0.00 H new ATOM 0 HZ PHE A 25 7.626 4.128 0.804 1.00 0.00 H new ATOM 403 N PRO A 26 5.521 -2.601 2.627 1.00 0.00 N ATOM 404 CA PRO A 26 5.696 -4.035 2.406 1.00 0.00 C ATOM 405 C PRO A 26 7.153 -4.471 2.300 1.00 0.00 C ATOM 406 O PRO A 26 8.036 -3.670 1.997 1.00 0.00 O ATOM 407 CB PRO A 26 4.979 -4.209 1.074 1.00 0.00 C ATOM 408 CG PRO A 26 5.351 -2.985 0.324 1.00 0.00 C ATOM 409 CD PRO A 26 5.325 -1.882 1.347 1.00 0.00 C ATOM 0 HA PRO A 26 5.317 -4.639 3.230 1.00 0.00 H new ATOM 0 HB2 PRO A 26 5.304 -5.112 0.557 1.00 0.00 H new ATOM 0 HB3 PRO A 26 3.900 -4.288 1.205 1.00 0.00 H new ATOM 0 HG2 PRO A 26 6.339 -3.083 -0.127 1.00 0.00 H new ATOM 0 HG3 PRO A 26 4.649 -2.789 -0.486 1.00 0.00 H new ATOM 0 HD2 PRO A 26 6.114 -1.151 1.171 1.00 0.00 H new ATOM 0 HD3 PRO A 26 4.379 -1.340 1.331 1.00 0.00 H new ATOM 417 N LEU A 27 7.386 -5.756 2.551 1.00 0.00 N ATOM 418 CA LEU A 27 8.720 -6.327 2.484 1.00 0.00 C ATOM 419 C LEU A 27 8.844 -7.280 1.299 1.00 0.00 C ATOM 420 O LEU A 27 9.928 -7.461 0.746 1.00 0.00 O ATOM 421 CB LEU A 27 9.055 -7.062 3.784 1.00 0.00 C ATOM 422 CG LEU A 27 8.269 -8.355 4.024 1.00 0.00 C ATOM 423 CD1 LEU A 27 9.216 -9.525 4.250 1.00 0.00 C ATOM 424 CD2 LEU A 27 7.327 -8.198 5.211 1.00 0.00 C ATOM 0 H LEU A 27 6.658 -6.424 2.805 1.00 0.00 H new ATOM 0 HA LEU A 27 9.429 -5.511 2.348 1.00 0.00 H new ATOM 0 HB2 LEU A 27 10.119 -7.297 3.786 1.00 0.00 H new ATOM 0 HB3 LEU A 27 8.876 -6.387 4.621 1.00 0.00 H new ATOM 0 HG LEU A 27 7.673 -8.561 3.135 1.00 0.00 H new ATOM 0 HD11 LEU A 27 8.638 -10.434 4.419 1.00 0.00 H new ATOM 0 HD12 LEU A 27 9.849 -9.655 3.372 1.00 0.00 H new ATOM 0 HD13 LEU A 27 9.840 -9.325 5.121 1.00 0.00 H new ATOM 0 HD21 LEU A 27 6.778 -9.127 5.365 1.00 0.00 H new ATOM 0 HD22 LEU A 27 7.905 -7.965 6.106 1.00 0.00 H new ATOM 0 HD23 LEU A 27 6.624 -7.389 5.013 1.00 0.00 H new ATOM 436 N THR A 28 7.723 -7.880 0.907 1.00 0.00 N ATOM 437 CA THR A 28 7.707 -8.805 -0.220 1.00 0.00 C ATOM 438 C THR A 28 8.075 -8.069 -1.502 1.00 0.00 C ATOM 439 O THR A 28 8.641 -8.649 -2.426 1.00 0.00 O ATOM 440 CB THR A 28 6.329 -9.459 -0.361 1.00 0.00 C ATOM 441 OG1 THR A 28 5.361 -8.772 0.414 1.00 0.00 O ATOM 442 CG2 THR A 28 6.312 -10.913 0.063 1.00 0.00 C ATOM 0 H THR A 28 6.816 -7.742 1.353 1.00 0.00 H new ATOM 0 HA THR A 28 8.442 -9.589 -0.038 1.00 0.00 H new ATOM 0 HB THR A 28 6.091 -9.403 -1.423 1.00 0.00 H new ATOM 0 HG1 THR A 28 5.412 -9.075 1.344 1.00 0.00 H new ATOM 0 HG21 THR A 28 5.307 -11.317 -0.061 1.00 0.00 H new ATOM 0 HG22 THR A 28 7.010 -11.480 -0.553 1.00 0.00 H new ATOM 0 HG23 THR A 28 6.607 -10.990 1.109 1.00 0.00 H new ATOM 450 N ARG A 29 7.748 -6.780 -1.535 1.00 0.00 N ATOM 451 CA ARG A 29 8.035 -5.930 -2.671 1.00 0.00 C ATOM 452 C ARG A 29 9.175 -4.975 -2.314 1.00 0.00 C ATOM 453 O ARG A 29 8.936 -3.931 -1.717 1.00 0.00 O ATOM 454 CB ARG A 29 6.764 -5.160 -3.025 1.00 0.00 C ATOM 455 CG ARG A 29 6.928 -4.222 -4.201 1.00 0.00 C ATOM 456 CD ARG A 29 6.805 -2.777 -3.756 1.00 0.00 C ATOM 457 NE ARG A 29 5.475 -2.232 -4.047 1.00 0.00 N ATOM 458 CZ ARG A 29 5.232 -1.083 -4.699 1.00 0.00 C ATOM 459 NH1 ARG A 29 6.219 -0.259 -5.071 1.00 0.00 N ATOM 460 NH2 ARG A 29 3.983 -0.747 -4.963 1.00 0.00 N ATOM 0 H ARG A 29 7.275 -6.301 -0.769 1.00 0.00 H new ATOM 0 HA ARG A 29 8.347 -6.522 -3.531 1.00 0.00 H new ATOM 0 HB2 ARG A 29 5.969 -5.872 -3.247 1.00 0.00 H new ATOM 0 HB3 ARG A 29 6.444 -4.586 -2.156 1.00 0.00 H new ATOM 0 HG2 ARG A 29 7.900 -4.382 -4.668 1.00 0.00 H new ATOM 0 HG3 ARG A 29 6.172 -4.441 -4.955 1.00 0.00 H new ATOM 0 HD2 ARG A 29 7.001 -2.708 -2.686 1.00 0.00 H new ATOM 0 HD3 ARG A 29 7.563 -2.176 -4.258 1.00 0.00 H new ATOM 0 HE ARG A 29 4.669 -2.769 -3.728 1.00 0.00 H new ATOM 0 HH11 ARG A 29 7.188 -0.497 -4.861 1.00 0.00 H new ATOM 0 HH12 ARG A 29 6.002 0.607 -5.565 1.00 0.00 H new ATOM 0 HH21 ARG A 29 3.219 -1.357 -4.673 1.00 0.00 H new ATOM 0 HH22 ARG A 29 3.782 0.122 -5.457 1.00 0.00 H new ATOM 474 N PRO A 30 10.438 -5.351 -2.632 1.00 0.00 N ATOM 475 CA PRO A 30 11.626 -4.554 -2.308 1.00 0.00 C ATOM 476 C PRO A 30 12.095 -3.603 -3.415 1.00 0.00 C ATOM 477 O PRO A 30 11.968 -2.389 -3.281 1.00 0.00 O ATOM 478 CB PRO A 30 12.658 -5.627 -2.046 1.00 0.00 C ATOM 479 CG PRO A 30 12.282 -6.773 -2.939 1.00 0.00 C ATOM 480 CD PRO A 30 10.818 -6.612 -3.293 1.00 0.00 C ATOM 0 HA PRO A 30 11.434 -3.873 -1.479 1.00 0.00 H new ATOM 0 HB2 PRO A 30 13.663 -5.268 -2.270 1.00 0.00 H new ATOM 0 HB3 PRO A 30 12.654 -5.928 -0.998 1.00 0.00 H new ATOM 0 HG2 PRO A 30 12.896 -6.775 -3.839 1.00 0.00 H new ATOM 0 HG3 PRO A 30 12.452 -7.724 -2.435 1.00 0.00 H new ATOM 0 HD2 PRO A 30 10.670 -6.560 -4.372 1.00 0.00 H new ATOM 0 HD3 PRO A 30 10.223 -7.450 -2.930 1.00 0.00 H new ATOM 488 N SER A 31 12.646 -4.135 -4.507 1.00 0.00 N ATOM 489 CA SER A 31 13.120 -3.282 -5.598 1.00 0.00 C ATOM 490 C SER A 31 12.024 -2.314 -5.997 1.00 0.00 C ATOM 491 O SER A 31 12.212 -1.096 -6.016 1.00 0.00 O ATOM 492 CB SER A 31 13.545 -4.129 -6.800 1.00 0.00 C ATOM 493 OG SER A 31 12.420 -4.567 -7.540 1.00 0.00 O ATOM 0 H SER A 31 12.774 -5.135 -4.659 1.00 0.00 H new ATOM 0 HA SER A 31 13.989 -2.720 -5.256 1.00 0.00 H new ATOM 0 HB2 SER A 31 14.203 -3.546 -7.444 1.00 0.00 H new ATOM 0 HB3 SER A 31 14.116 -4.991 -6.457 1.00 0.00 H new ATOM 0 HG SER A 31 12.719 -5.104 -8.303 1.00 0.00 H new ATOM 499 N LEU A 32 10.864 -2.879 -6.253 1.00 0.00 N ATOM 500 CA LEU A 32 9.688 -2.108 -6.596 1.00 0.00 C ATOM 501 C LEU A 32 9.393 -1.137 -5.458 1.00 0.00 C ATOM 502 O LEU A 32 8.938 -0.016 -5.668 1.00 0.00 O ATOM 503 CB LEU A 32 8.521 -3.060 -6.789 1.00 0.00 C ATOM 504 CG LEU A 32 7.158 -2.410 -7.050 1.00 0.00 C ATOM 505 CD1 LEU A 32 7.301 -1.101 -7.810 1.00 0.00 C ATOM 506 CD2 LEU A 32 6.266 -3.362 -7.818 1.00 0.00 C ATOM 0 H LEU A 32 10.709 -3.887 -6.229 1.00 0.00 H new ATOM 0 HA LEU A 32 9.849 -1.546 -7.516 1.00 0.00 H new ATOM 0 HB2 LEU A 32 8.752 -3.721 -7.624 1.00 0.00 H new ATOM 0 HB3 LEU A 32 8.438 -3.686 -5.901 1.00 0.00 H new ATOM 0 HG LEU A 32 6.703 -2.188 -6.085 1.00 0.00 H new ATOM 0 HD11 LEU A 32 6.315 -0.668 -7.978 1.00 0.00 H new ATOM 0 HD12 LEU A 32 7.908 -0.407 -7.228 1.00 0.00 H new ATOM 0 HD13 LEU A 32 7.783 -1.288 -8.770 1.00 0.00 H new ATOM 0 HD21 LEU A 32 5.300 -2.890 -7.998 1.00 0.00 H new ATOM 0 HD22 LEU A 32 6.733 -3.609 -8.772 1.00 0.00 H new ATOM 0 HD23 LEU A 32 6.122 -4.274 -7.238 1.00 0.00 H new ATOM 518 N CYS A 33 9.668 -1.598 -4.236 1.00 0.00 N ATOM 519 CA CYS A 33 9.449 -0.799 -3.032 1.00 0.00 C ATOM 520 C CYS A 33 10.097 0.570 -3.154 1.00 0.00 C ATOM 521 O CYS A 33 9.594 1.555 -2.619 1.00 0.00 O ATOM 522 CB CYS A 33 10.023 -1.514 -1.816 1.00 0.00 C ATOM 523 SG CYS A 33 9.206 -1.099 -0.258 1.00 0.00 S ATOM 0 H CYS A 33 10.046 -2.528 -4.055 1.00 0.00 H new ATOM 0 HA CYS A 33 8.373 -0.669 -2.913 1.00 0.00 H new ATOM 0 HB2 CYS A 33 9.953 -2.590 -1.975 1.00 0.00 H new ATOM 0 HB3 CYS A 33 11.083 -1.272 -1.733 1.00 0.00 H new ATOM 0 HG CYS A 33 8.862 -2.192 0.356 1.00 0.00 H new ATOM 529 N LYS A 34 11.208 0.634 -3.878 1.00 0.00 N ATOM 530 CA LYS A 34 11.900 1.893 -4.081 1.00 0.00 C ATOM 531 C LYS A 34 10.893 2.907 -4.596 1.00 0.00 C ATOM 532 O LYS A 34 10.916 4.082 -4.236 1.00 0.00 O ATOM 533 CB LYS A 34 13.054 1.701 -5.084 1.00 0.00 C ATOM 534 CG LYS A 34 13.560 2.999 -5.704 1.00 0.00 C ATOM 535 CD LYS A 34 13.128 3.139 -7.160 1.00 0.00 C ATOM 536 CE LYS A 34 13.478 1.907 -7.989 1.00 0.00 C ATOM 537 NZ LYS A 34 14.265 2.260 -9.203 1.00 0.00 N ATOM 0 H LYS A 34 11.644 -0.169 -4.331 1.00 0.00 H new ATOM 0 HA LYS A 34 12.330 2.250 -3.146 1.00 0.00 H new ATOM 0 HB2 LYS A 34 13.882 1.205 -4.578 1.00 0.00 H new ATOM 0 HB3 LYS A 34 12.722 1.035 -5.881 1.00 0.00 H new ATOM 0 HG2 LYS A 34 13.184 3.846 -5.131 1.00 0.00 H new ATOM 0 HG3 LYS A 34 14.648 3.031 -5.643 1.00 0.00 H new ATOM 0 HD2 LYS A 34 12.052 3.309 -7.203 1.00 0.00 H new ATOM 0 HD3 LYS A 34 13.607 4.016 -7.596 1.00 0.00 H new ATOM 0 HE2 LYS A 34 14.048 1.208 -7.377 1.00 0.00 H new ATOM 0 HE3 LYS A 34 12.562 1.397 -8.286 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 14.483 1.396 -9.739 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 13.711 2.907 -9.800 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 15.152 2.724 -8.919 1.00 0.00 H new ATOM 551 N GLU A 35 9.984 2.409 -5.422 1.00 0.00 N ATOM 552 CA GLU A 35 8.934 3.212 -5.989 1.00 0.00 C ATOM 553 C GLU A 35 8.107 3.843 -4.888 1.00 0.00 C ATOM 554 O GLU A 35 7.716 5.009 -4.963 1.00 0.00 O ATOM 555 CB GLU A 35 8.044 2.342 -6.875 1.00 0.00 C ATOM 556 CG GLU A 35 8.815 1.665 -7.974 1.00 0.00 C ATOM 557 CD GLU A 35 7.963 1.346 -9.186 1.00 0.00 C ATOM 558 OE1 GLU A 35 6.915 2.000 -9.360 1.00 0.00 O ATOM 559 OE2 GLU A 35 8.345 0.446 -9.962 1.00 0.00 O ATOM 0 H GLU A 35 9.962 1.432 -5.713 1.00 0.00 H new ATOM 0 HA GLU A 35 9.378 4.004 -6.592 1.00 0.00 H new ATOM 0 HB2 GLU A 35 7.553 1.587 -6.261 1.00 0.00 H new ATOM 0 HB3 GLU A 35 7.258 2.958 -7.312 1.00 0.00 H new ATOM 0 HG2 GLU A 35 9.643 2.306 -8.277 1.00 0.00 H new ATOM 0 HG3 GLU A 35 9.250 0.742 -7.590 1.00 0.00 H new ATOM 566 N TRP A 36 7.873 3.054 -3.852 1.00 0.00 N ATOM 567 CA TRP A 36 7.104 3.517 -2.703 1.00 0.00 C ATOM 568 C TRP A 36 7.782 4.715 -2.067 1.00 0.00 C ATOM 569 O TRP A 36 7.118 5.604 -1.533 1.00 0.00 O ATOM 570 CB TRP A 36 6.890 2.404 -1.702 1.00 0.00 C ATOM 571 CG TRP A 36 5.583 1.697 -1.867 1.00 0.00 C ATOM 572 CD1 TRP A 36 4.977 1.313 -3.024 1.00 0.00 C ATOM 573 CD2 TRP A 36 4.715 1.307 -0.813 1.00 0.00 C ATOM 574 NE1 TRP A 36 3.786 0.680 -2.742 1.00 0.00 N ATOM 575 CE2 TRP A 36 3.610 0.666 -1.379 1.00 0.00 C ATOM 576 CE3 TRP A 36 4.775 1.433 0.564 1.00 0.00 C ATOM 577 CZ2 TRP A 36 2.576 0.153 -0.589 1.00 0.00 C ATOM 578 CZ3 TRP A 36 3.751 0.931 1.317 1.00 0.00 C ATOM 579 CH2 TRP A 36 2.678 0.302 0.748 1.00 0.00 C ATOM 0 H TRP A 36 8.203 2.091 -3.781 1.00 0.00 H new ATOM 0 HA TRP A 36 6.119 3.829 -3.050 1.00 0.00 H new ATOM 0 HB2 TRP A 36 7.700 1.681 -1.796 1.00 0.00 H new ATOM 0 HB3 TRP A 36 6.946 2.816 -0.695 1.00 0.00 H new ATOM 0 HD1 TRP A 36 5.371 1.480 -4.016 1.00 0.00 H new ATOM 0 HE1 TRP A 36 3.143 0.288 -3.430 1.00 0.00 H new ATOM 0 HE3 TRP A 36 5.616 1.919 1.035 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 1.727 -0.344 -1.033 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 3.790 1.034 2.391 1.00 0.00 H new ATOM 0 HH2 TRP A 36 1.895 -0.084 1.383 1.00 0.00 H new ATOM 590 N GLU A 37 9.106 4.769 -2.172 1.00 0.00 N ATOM 591 CA GLU A 37 9.852 5.900 -1.641 1.00 0.00 C ATOM 592 C GLU A 37 9.352 7.181 -2.281 1.00 0.00 C ATOM 593 O GLU A 37 9.256 8.225 -1.637 1.00 0.00 O ATOM 594 CB GLU A 37 11.334 5.731 -1.940 1.00 0.00 C ATOM 595 CG GLU A 37 11.915 4.441 -1.397 1.00 0.00 C ATOM 596 CD GLU A 37 13.250 4.641 -0.703 1.00 0.00 C ATOM 597 OE1 GLU A 37 13.820 5.747 -0.817 1.00 0.00 O ATOM 598 OE2 GLU A 37 13.726 3.691 -0.047 1.00 0.00 O ATOM 0 H GLU A 37 9.678 4.050 -2.615 1.00 0.00 H new ATOM 0 HA GLU A 37 9.707 5.948 -0.562 1.00 0.00 H new ATOM 0 HB2 GLU A 37 11.485 5.763 -3.019 1.00 0.00 H new ATOM 0 HB3 GLU A 37 11.881 6.574 -1.517 1.00 0.00 H new ATOM 0 HG2 GLU A 37 11.209 3.998 -0.695 1.00 0.00 H new ATOM 0 HG3 GLU A 37 12.039 3.732 -2.215 1.00 0.00 H new ATOM 605 N ALA A 38 9.015 7.073 -3.557 1.00 0.00 N ATOM 606 CA ALA A 38 8.498 8.205 -4.308 1.00 0.00 C ATOM 607 C ALA A 38 7.205 8.688 -3.678 1.00 0.00 C ATOM 608 O ALA A 38 6.904 9.881 -3.672 1.00 0.00 O ATOM 609 CB ALA A 38 8.281 7.829 -5.766 1.00 0.00 C ATOM 0 H ALA A 38 9.091 6.210 -4.095 1.00 0.00 H new ATOM 0 HA ALA A 38 9.228 9.014 -4.278 1.00 0.00 H new ATOM 0 HB1 ALA A 38 7.894 8.690 -6.310 1.00 0.00 H new ATOM 0 HB2 ALA A 38 9.228 7.518 -6.206 1.00 0.00 H new ATOM 0 HB3 ALA A 38 7.565 7.009 -5.828 1.00 0.00 H new ATOM 615 N ALA A 39 6.460 7.743 -3.119 1.00 0.00 N ATOM 616 CA ALA A 39 5.205 8.050 -2.448 1.00 0.00 C ATOM 617 C ALA A 39 5.422 9.131 -1.400 1.00 0.00 C ATOM 618 O ALA A 39 4.507 9.881 -1.060 1.00 0.00 O ATOM 619 CB ALA A 39 4.639 6.796 -1.797 1.00 0.00 C ATOM 0 H ALA A 39 6.705 6.753 -3.118 1.00 0.00 H new ATOM 0 HA ALA A 39 4.492 8.415 -3.187 1.00 0.00 H new ATOM 0 HB1 ALA A 39 3.700 7.037 -1.298 1.00 0.00 H new ATOM 0 HB2 ALA A 39 4.460 6.039 -2.560 1.00 0.00 H new ATOM 0 HB3 ALA A 39 5.351 6.413 -1.066 1.00 0.00 H new ATOM 625 N VAL A 40 6.646 9.196 -0.890 1.00 0.00 N ATOM 626 CA VAL A 40 7.005 10.172 0.121 1.00 0.00 C ATOM 627 C VAL A 40 7.724 11.367 -0.503 1.00 0.00 C ATOM 628 O VAL A 40 7.191 12.476 -0.528 1.00 0.00 O ATOM 629 CB VAL A 40 7.899 9.521 1.203 1.00 0.00 C ATOM 630 CG1 VAL A 40 8.609 10.563 2.052 1.00 0.00 C ATOM 631 CG2 VAL A 40 7.078 8.585 2.075 1.00 0.00 C ATOM 0 H VAL A 40 7.409 8.578 -1.165 1.00 0.00 H new ATOM 0 HA VAL A 40 6.087 10.529 0.587 1.00 0.00 H new ATOM 0 HB VAL A 40 8.668 8.942 0.692 1.00 0.00 H new ATOM 0 HG11 VAL A 40 9.226 10.064 2.799 1.00 0.00 H new ATOM 0 HG12 VAL A 40 9.240 11.183 1.415 1.00 0.00 H new ATOM 0 HG13 VAL A 40 7.870 11.190 2.551 1.00 0.00 H new ATOM 0 HG21 VAL A 40 7.721 8.135 2.831 1.00 0.00 H new ATOM 0 HG22 VAL A 40 6.282 9.147 2.563 1.00 0.00 H new ATOM 0 HG23 VAL A 40 6.641 7.801 1.456 1.00 0.00 H new ATOM 641 N ARG A 41 8.932 11.130 -1.008 1.00 0.00 N ATOM 642 CA ARG A 41 9.730 12.181 -1.645 1.00 0.00 C ATOM 643 C ARG A 41 10.250 13.212 -0.636 1.00 0.00 C ATOM 644 O ARG A 41 11.150 13.992 -0.948 1.00 0.00 O ATOM 645 CB ARG A 41 8.910 12.887 -2.730 1.00 0.00 C ATOM 646 CG ARG A 41 9.705 13.902 -3.536 1.00 0.00 C ATOM 647 CD ARG A 41 9.964 13.417 -4.954 1.00 0.00 C ATOM 648 NE ARG A 41 11.379 13.501 -5.310 1.00 0.00 N ATOM 649 CZ ARG A 41 12.052 14.646 -5.408 1.00 0.00 C ATOM 650 NH1 ARG A 41 11.444 15.803 -5.180 1.00 0.00 N ATOM 651 NH2 ARG A 41 13.337 14.633 -5.737 1.00 0.00 N ATOM 0 H ARG A 41 9.384 10.216 -0.989 1.00 0.00 H new ATOM 0 HA ARG A 41 10.596 11.695 -2.095 1.00 0.00 H new ATOM 0 HB2 ARG A 41 8.501 12.138 -3.408 1.00 0.00 H new ATOM 0 HB3 ARG A 41 8.063 13.390 -2.263 1.00 0.00 H new ATOM 0 HG2 ARG A 41 9.162 14.847 -3.568 1.00 0.00 H new ATOM 0 HG3 ARG A 41 10.655 14.097 -3.039 1.00 0.00 H new ATOM 0 HD2 ARG A 41 9.626 12.385 -5.052 1.00 0.00 H new ATOM 0 HD3 ARG A 41 9.378 14.013 -5.654 1.00 0.00 H new ATOM 0 HE ARG A 41 11.880 12.632 -5.494 1.00 0.00 H new ATOM 0 HH11 ARG A 41 10.456 15.819 -4.928 1.00 0.00 H new ATOM 0 HH12 ARG A 41 11.965 16.677 -5.257 1.00 0.00 H new ATOM 0 HH21 ARG A 41 13.809 13.746 -5.915 1.00 0.00 H new ATOM 0 HH22 ARG A 41 13.853 15.510 -5.812 1.00 0.00 H new ATOM 665 N ARG A 42 9.684 13.224 0.567 1.00 0.00 N ATOM 666 CA ARG A 42 10.096 14.170 1.594 1.00 0.00 C ATOM 667 C ARG A 42 11.003 13.492 2.630 1.00 0.00 C ATOM 668 O ARG A 42 11.874 12.701 2.271 1.00 0.00 O ATOM 669 CB ARG A 42 8.849 14.771 2.254 1.00 0.00 C ATOM 670 CG ARG A 42 7.869 15.372 1.255 1.00 0.00 C ATOM 671 CD ARG A 42 7.528 16.813 1.601 1.00 0.00 C ATOM 672 NE ARG A 42 6.839 17.490 0.504 1.00 0.00 N ATOM 673 CZ ARG A 42 7.460 18.076 -0.518 1.00 0.00 C ATOM 674 NH1 ARG A 42 8.786 18.066 -0.594 1.00 0.00 N ATOM 675 NH2 ARG A 42 6.754 18.670 -1.468 1.00 0.00 N ATOM 0 H ARG A 42 8.939 12.589 0.853 1.00 0.00 H new ATOM 0 HA ARG A 42 10.675 14.972 1.136 1.00 0.00 H new ATOM 0 HB2 ARG A 42 8.342 13.996 2.829 1.00 0.00 H new ATOM 0 HB3 ARG A 42 9.156 15.542 2.960 1.00 0.00 H new ATOM 0 HG2 ARG A 42 8.298 15.330 0.254 1.00 0.00 H new ATOM 0 HG3 ARG A 42 6.956 14.776 1.237 1.00 0.00 H new ATOM 0 HD2 ARG A 42 6.900 16.833 2.491 1.00 0.00 H new ATOM 0 HD3 ARG A 42 8.443 17.354 1.844 1.00 0.00 H new ATOM 0 HE ARG A 42 5.819 17.515 0.522 1.00 0.00 H new ATOM 0 HH11 ARG A 42 9.335 17.608 0.133 1.00 0.00 H new ATOM 0 HH12 ARG A 42 9.255 18.517 -1.380 1.00 0.00 H new ATOM 0 HH21 ARG A 42 5.735 18.678 -1.417 1.00 0.00 H new ATOM 0 HH22 ARG A 42 7.229 19.119 -2.251 1.00 0.00 H new ATOM 689 N LYS A 43 10.800 13.806 3.915 1.00 0.00 N ATOM 690 CA LYS A 43 11.604 13.229 4.993 1.00 0.00 C ATOM 691 C LYS A 43 11.818 11.730 4.795 1.00 0.00 C ATOM 692 O LYS A 43 11.017 11.058 4.147 1.00 0.00 O ATOM 693 CB LYS A 43 10.927 13.486 6.342 1.00 0.00 C ATOM 694 CG LYS A 43 11.682 12.910 7.530 1.00 0.00 C ATOM 695 CD LYS A 43 12.972 13.670 7.795 1.00 0.00 C ATOM 696 CE LYS A 43 13.275 13.753 9.283 1.00 0.00 C ATOM 697 NZ LYS A 43 14.370 12.825 9.679 1.00 0.00 N ATOM 0 H LYS A 43 10.083 14.459 4.232 1.00 0.00 H new ATOM 0 HA LYS A 43 12.582 13.711 4.976 1.00 0.00 H new ATOM 0 HB2 LYS A 43 10.815 14.561 6.482 1.00 0.00 H new ATOM 0 HB3 LYS A 43 9.924 13.061 6.321 1.00 0.00 H new ATOM 0 HG2 LYS A 43 11.049 12.946 8.417 1.00 0.00 H new ATOM 0 HG3 LYS A 43 11.909 11.860 7.343 1.00 0.00 H new ATOM 0 HD2 LYS A 43 13.798 13.177 7.282 1.00 0.00 H new ATOM 0 HD3 LYS A 43 12.894 14.676 7.382 1.00 0.00 H new ATOM 0 HE2 LYS A 43 13.554 14.775 9.540 1.00 0.00 H new ATOM 0 HE3 LYS A 43 12.375 13.516 9.851 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 14.546 12.912 10.700 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 14.094 11.847 9.457 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 15.236 13.067 9.157 1.00 0.00 H new ATOM 711 N ASN A 44 12.907 11.219 5.361 1.00 0.00 N ATOM 712 CA ASN A 44 13.241 9.802 5.258 1.00 0.00 C ATOM 713 C ASN A 44 12.137 8.934 5.875 1.00 0.00 C ATOM 714 O ASN A 44 12.273 8.484 7.011 1.00 0.00 O ATOM 715 CB ASN A 44 14.569 9.527 5.967 1.00 0.00 C ATOM 716 CG ASN A 44 15.652 10.509 5.564 1.00 0.00 C ATOM 717 OD1 ASN A 44 15.504 11.249 4.591 1.00 0.00 O ATOM 718 ND2 ASN A 44 16.750 10.520 6.312 1.00 0.00 N ATOM 0 H ASN A 44 13.577 11.769 5.899 1.00 0.00 H new ATOM 0 HA ASN A 44 13.332 9.548 4.202 1.00 0.00 H new ATOM 0 HB2 ASN A 44 14.419 9.577 7.046 1.00 0.00 H new ATOM 0 HB3 ASN A 44 14.897 8.513 5.738 1.00 0.00 H new ATOM 0 HD21 ASN A 44 17.513 11.159 6.089 1.00 0.00 H new ATOM 0 HD22 ASN A 44 16.830 9.889 7.110 1.00 0.00 H new ATOM 725 N PHE A 45 11.047 8.714 5.119 1.00 0.00 N ATOM 726 CA PHE A 45 9.902 7.911 5.573 1.00 0.00 C ATOM 727 C PHE A 45 10.246 6.977 6.736 1.00 0.00 C ATOM 728 O PHE A 45 10.544 5.799 6.540 1.00 0.00 O ATOM 729 CB PHE A 45 9.331 7.095 4.399 1.00 0.00 C ATOM 730 CG PHE A 45 10.321 6.165 3.733 1.00 0.00 C ATOM 731 CD1 PHE A 45 11.639 6.073 4.164 1.00 0.00 C ATOM 732 CD2 PHE A 45 9.920 5.381 2.662 1.00 0.00 C ATOM 733 CE1 PHE A 45 12.530 5.219 3.542 1.00 0.00 C ATOM 734 CE2 PHE A 45 10.808 4.526 2.037 1.00 0.00 C ATOM 735 CZ PHE A 45 12.114 4.445 2.477 1.00 0.00 C ATOM 0 H PHE A 45 10.937 9.089 4.177 1.00 0.00 H new ATOM 0 HA PHE A 45 9.154 8.613 5.941 1.00 0.00 H new ATOM 0 HB2 PHE A 45 8.487 6.507 4.760 1.00 0.00 H new ATOM 0 HB3 PHE A 45 8.942 7.785 3.650 1.00 0.00 H new ATOM 0 HD1 PHE A 45 11.971 6.677 4.996 1.00 0.00 H new ATOM 0 HD2 PHE A 45 8.900 5.439 2.311 1.00 0.00 H new ATOM 0 HE1 PHE A 45 13.551 5.157 3.889 1.00 0.00 H new ATOM 0 HE2 PHE A 45 10.480 3.921 1.204 1.00 0.00 H new ATOM 0 HZ PHE A 45 12.809 3.778 1.989 1.00 0.00 H new ATOM 745 N LYS A 46 10.189 7.514 7.949 1.00 0.00 N ATOM 746 CA LYS A 46 10.482 6.733 9.146 1.00 0.00 C ATOM 747 C LYS A 46 9.376 5.708 9.398 1.00 0.00 C ATOM 748 O LYS A 46 8.230 6.075 9.655 1.00 0.00 O ATOM 749 CB LYS A 46 10.635 7.660 10.357 1.00 0.00 C ATOM 750 CG LYS A 46 11.122 6.962 11.622 1.00 0.00 C ATOM 751 CD LYS A 46 11.301 7.950 12.766 1.00 0.00 C ATOM 752 CE LYS A 46 12.714 8.515 12.813 1.00 0.00 C ATOM 753 NZ LYS A 46 13.229 8.855 11.457 1.00 0.00 N ATOM 0 H LYS A 46 9.943 8.487 8.130 1.00 0.00 H new ATOM 0 HA LYS A 46 11.420 6.199 8.993 1.00 0.00 H new ATOM 0 HB2 LYS A 46 11.334 8.457 10.104 1.00 0.00 H new ATOM 0 HB3 LYS A 46 9.674 8.132 10.563 1.00 0.00 H new ATOM 0 HG2 LYS A 46 10.408 6.192 11.913 1.00 0.00 H new ATOM 0 HG3 LYS A 46 12.068 6.460 11.421 1.00 0.00 H new ATOM 0 HD2 LYS A 46 10.587 8.766 12.656 1.00 0.00 H new ATOM 0 HD3 LYS A 46 11.076 7.456 13.711 1.00 0.00 H new ATOM 0 HE2 LYS A 46 12.726 9.407 13.439 1.00 0.00 H new ATOM 0 HE3 LYS A 46 13.379 7.789 13.281 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 14.193 9.236 11.537 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 13.243 7.999 10.866 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 12.611 9.568 11.019 1.00 0.00 H new ATOM 767 N PRO A 47 9.698 4.404 9.302 1.00 0.00 N ATOM 768 CA PRO A 47 8.726 3.312 9.495 1.00 0.00 C ATOM 769 C PRO A 47 7.939 3.376 10.809 1.00 0.00 C ATOM 770 O PRO A 47 7.093 2.521 11.071 1.00 0.00 O ATOM 771 CB PRO A 47 9.610 2.069 9.468 1.00 0.00 C ATOM 772 CG PRO A 47 10.686 2.461 8.543 1.00 0.00 C ATOM 773 CD PRO A 47 11.030 3.869 8.964 1.00 0.00 C ATOM 0 HA PRO A 47 7.947 3.347 8.734 1.00 0.00 H new ATOM 0 HB2 PRO A 47 9.995 1.824 10.458 1.00 0.00 H new ATOM 0 HB3 PRO A 47 9.068 1.193 9.111 1.00 0.00 H new ATOM 0 HG2 PRO A 47 11.547 1.797 8.627 1.00 0.00 H new ATOM 0 HG3 PRO A 47 10.354 2.424 7.505 1.00 0.00 H new ATOM 0 HD2 PRO A 47 11.709 3.889 9.816 1.00 0.00 H new ATOM 0 HD3 PRO A 47 11.508 4.432 8.163 1.00 0.00 H new ATOM 781 N THR A 48 8.218 4.376 11.630 1.00 0.00 N ATOM 782 CA THR A 48 7.529 4.532 12.908 1.00 0.00 C ATOM 783 C THR A 48 6.030 4.708 12.691 1.00 0.00 C ATOM 784 O THR A 48 5.217 3.947 13.217 1.00 0.00 O ATOM 785 CB THR A 48 8.095 5.742 13.663 1.00 0.00 C ATOM 786 OG1 THR A 48 7.360 5.983 14.849 1.00 0.00 O ATOM 787 CG2 THR A 48 8.074 7.012 12.842 1.00 0.00 C ATOM 0 H THR A 48 8.917 5.094 11.437 1.00 0.00 H new ATOM 0 HA THR A 48 7.690 3.632 13.501 1.00 0.00 H new ATOM 0 HB THR A 48 9.130 5.488 13.890 1.00 0.00 H new ATOM 0 HG1 THR A 48 7.738 6.757 15.316 1.00 0.00 H new ATOM 0 HG21 THR A 48 8.487 7.832 13.430 1.00 0.00 H new ATOM 0 HG22 THR A 48 8.673 6.873 11.942 1.00 0.00 H new ATOM 0 HG23 THR A 48 7.047 7.247 12.562 1.00 0.00 H new ATOM 795 N LYS A 49 5.675 5.717 11.904 1.00 0.00 N ATOM 796 CA LYS A 49 4.283 6.010 11.595 1.00 0.00 C ATOM 797 C LYS A 49 4.101 6.192 10.089 1.00 0.00 C ATOM 798 O LYS A 49 2.991 6.081 9.569 1.00 0.00 O ATOM 799 CB LYS A 49 3.831 7.275 12.327 1.00 0.00 C ATOM 800 CG LYS A 49 4.277 7.333 13.780 1.00 0.00 C ATOM 801 CD LYS A 49 3.197 7.925 14.671 1.00 0.00 C ATOM 802 CE LYS A 49 3.172 9.442 14.585 1.00 0.00 C ATOM 803 NZ LYS A 49 4.194 10.066 15.469 1.00 0.00 N ATOM 0 H LYS A 49 6.342 6.352 11.464 1.00 0.00 H new ATOM 0 HA LYS A 49 3.672 5.171 11.927 1.00 0.00 H new ATOM 0 HB2 LYS A 49 4.220 8.147 11.802 1.00 0.00 H new ATOM 0 HB3 LYS A 49 2.744 7.338 12.287 1.00 0.00 H new ATOM 0 HG2 LYS A 49 4.526 6.330 14.126 1.00 0.00 H new ATOM 0 HG3 LYS A 49 5.184 7.932 13.860 1.00 0.00 H new ATOM 0 HD2 LYS A 49 2.225 7.527 14.379 1.00 0.00 H new ATOM 0 HD3 LYS A 49 3.369 7.621 15.704 1.00 0.00 H new ATOM 0 HE2 LYS A 49 3.347 9.750 13.554 1.00 0.00 H new ATOM 0 HE3 LYS A 49 2.182 9.805 14.862 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 4.144 11.101 15.381 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 4.012 9.793 16.456 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 5.141 9.740 15.189 1.00 0.00 H new ATOM 817 N TYR A 50 5.202 6.489 9.392 1.00 0.00 N ATOM 818 CA TYR A 50 5.167 6.705 7.957 1.00 0.00 C ATOM 819 C TYR A 50 5.156 5.391 7.179 1.00 0.00 C ATOM 820 O TYR A 50 4.775 5.375 6.011 1.00 0.00 O ATOM 821 CB TYR A 50 6.353 7.562 7.519 1.00 0.00 C ATOM 822 CG TYR A 50 6.248 9.002 7.969 1.00 0.00 C ATOM 823 CD1 TYR A 50 5.081 9.727 7.765 1.00 0.00 C ATOM 824 CD2 TYR A 50 7.313 9.636 8.596 1.00 0.00 C ATOM 825 CE1 TYR A 50 4.979 11.044 8.173 1.00 0.00 C ATOM 826 CE2 TYR A 50 7.219 10.951 9.007 1.00 0.00 C ATOM 827 CZ TYR A 50 6.050 11.651 8.793 1.00 0.00 C ATOM 828 OH TYR A 50 5.952 12.961 9.201 1.00 0.00 O ATOM 0 H TYR A 50 6.129 6.584 9.808 1.00 0.00 H new ATOM 0 HA TYR A 50 4.238 7.230 7.732 1.00 0.00 H new ATOM 0 HB2 TYR A 50 7.271 7.130 7.917 1.00 0.00 H new ATOM 0 HB3 TYR A 50 6.432 7.533 6.432 1.00 0.00 H new ATOM 0 HD1 TYR A 50 4.240 9.254 7.280 1.00 0.00 H new ATOM 0 HD2 TYR A 50 8.230 9.091 8.765 1.00 0.00 H new ATOM 0 HE1 TYR A 50 4.065 11.594 8.007 1.00 0.00 H new ATOM 0 HE2 TYR A 50 8.057 11.429 9.493 1.00 0.00 H new ATOM 0 HH TYR A 50 6.793 13.237 9.621 1.00 0.00 H new ATOM 838 N SER A 51 5.580 4.293 7.815 1.00 0.00 N ATOM 839 CA SER A 51 5.609 2.986 7.143 1.00 0.00 C ATOM 840 C SER A 51 4.209 2.541 6.699 1.00 0.00 C ATOM 841 O SER A 51 3.705 1.508 7.140 1.00 0.00 O ATOM 842 CB SER A 51 6.226 1.923 8.061 1.00 0.00 C ATOM 843 OG SER A 51 7.454 1.445 7.535 1.00 0.00 O ATOM 0 H SER A 51 5.904 4.281 8.782 1.00 0.00 H new ATOM 0 HA SER A 51 6.226 3.095 6.251 1.00 0.00 H new ATOM 0 HB2 SER A 51 6.391 2.345 9.052 1.00 0.00 H new ATOM 0 HB3 SER A 51 5.530 1.093 8.180 1.00 0.00 H new ATOM 0 HG SER A 51 7.515 0.477 7.675 1.00 0.00 H new ATOM 849 N SER A 52 3.594 3.319 5.815 1.00 0.00 N ATOM 850 CA SER A 52 2.268 3.004 5.299 1.00 0.00 C ATOM 851 C SER A 52 1.859 4.018 4.243 1.00 0.00 C ATOM 852 O SER A 52 2.326 5.152 4.246 1.00 0.00 O ATOM 853 CB SER A 52 1.236 2.971 6.427 1.00 0.00 C ATOM 854 OG SER A 52 1.161 4.224 7.086 1.00 0.00 O ATOM 0 H SER A 52 3.996 4.178 5.439 1.00 0.00 H new ATOM 0 HA SER A 52 2.307 2.015 4.843 1.00 0.00 H new ATOM 0 HB2 SER A 52 0.258 2.710 6.022 1.00 0.00 H new ATOM 0 HB3 SER A 52 1.501 2.194 7.144 1.00 0.00 H new ATOM 0 HG SER A 52 0.493 4.178 7.802 1.00 0.00 H new ATOM 860 N ILE A 53 0.994 3.600 3.336 1.00 0.00 N ATOM 861 CA ILE A 53 0.536 4.466 2.270 1.00 0.00 C ATOM 862 C ILE A 53 -0.981 4.374 2.164 1.00 0.00 C ATOM 863 O ILE A 53 -1.569 3.372 2.571 1.00 0.00 O ATOM 864 CB ILE A 53 1.171 4.019 0.936 1.00 0.00 C ATOM 865 CG1 ILE A 53 2.687 3.783 1.090 1.00 0.00 C ATOM 866 CG2 ILE A 53 0.878 4.997 -0.204 1.00 0.00 C ATOM 867 CD1 ILE A 53 3.540 5.034 1.124 1.00 0.00 C ATOM 0 H ILE A 53 0.595 2.662 3.319 1.00 0.00 H new ATOM 0 HA ILE A 53 0.827 5.494 2.484 1.00 0.00 H new ATOM 0 HB ILE A 53 0.706 3.070 0.668 1.00 0.00 H new ATOM 0 HG12 ILE A 53 2.859 3.222 2.009 1.00 0.00 H new ATOM 0 HG13 ILE A 53 3.025 3.156 0.265 1.00 0.00 H new ATOM 0 HG21 ILE A 53 1.346 4.638 -1.121 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -0.199 5.071 -0.352 1.00 0.00 H new ATOM 0 HG23 ILE A 53 1.278 5.979 0.047 1.00 0.00 H new ATOM 0 HD11 ILE A 53 4.588 4.757 1.235 1.00 0.00 H new ATOM 0 HD12 ILE A 53 3.408 5.590 0.196 1.00 0.00 H new ATOM 0 HD13 ILE A 53 3.239 5.657 1.966 1.00 0.00 H new ATOM 879 N CYS A 54 -1.623 5.406 1.626 1.00 0.00 N ATOM 880 CA CYS A 54 -3.067 5.388 1.496 1.00 0.00 C ATOM 881 C CYS A 54 -3.469 5.243 0.017 1.00 0.00 C ATOM 882 O CYS A 54 -2.687 5.573 -0.874 1.00 0.00 O ATOM 883 CB CYS A 54 -3.668 6.626 2.168 1.00 0.00 C ATOM 884 SG CYS A 54 -3.885 8.059 1.100 1.00 0.00 S ATOM 0 H CYS A 54 -1.170 6.252 1.279 1.00 0.00 H new ATOM 0 HA CYS A 54 -3.476 4.520 2.013 1.00 0.00 H new ATOM 0 HB2 CYS A 54 -4.638 6.356 2.586 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -3.029 6.911 3.004 1.00 0.00 H new ATOM 0 HG CYS A 54 -2.722 8.493 0.714 1.00 0.00 H new ATOM 889 N SER A 55 -4.662 4.695 -0.241 1.00 0.00 N ATOM 890 CA SER A 55 -5.126 4.447 -1.609 1.00 0.00 C ATOM 891 C SER A 55 -5.039 5.674 -2.524 1.00 0.00 C ATOM 892 O SER A 55 -4.716 5.547 -3.703 1.00 0.00 O ATOM 893 CB SER A 55 -6.567 3.940 -1.591 1.00 0.00 C ATOM 894 OG SER A 55 -6.894 3.373 -0.334 1.00 0.00 O ATOM 0 H SER A 55 -5.324 4.415 0.482 1.00 0.00 H new ATOM 0 HA SER A 55 -4.453 3.694 -2.020 1.00 0.00 H new ATOM 0 HB2 SER A 55 -7.248 4.763 -1.810 1.00 0.00 H new ATOM 0 HB3 SER A 55 -6.703 3.196 -2.375 1.00 0.00 H new ATOM 0 HG SER A 55 -6.838 2.396 -0.391 1.00 0.00 H new ATOM 900 N GLU A 56 -5.367 6.845 -1.992 1.00 0.00 N ATOM 901 CA GLU A 56 -5.370 8.078 -2.749 1.00 0.00 C ATOM 902 C GLU A 56 -4.206 8.206 -3.743 1.00 0.00 C ATOM 903 O GLU A 56 -4.320 8.923 -4.737 1.00 0.00 O ATOM 904 CB GLU A 56 -5.356 9.237 -1.770 1.00 0.00 C ATOM 905 CG GLU A 56 -6.519 9.210 -0.804 1.00 0.00 C ATOM 906 CD GLU A 56 -6.915 10.593 -0.328 1.00 0.00 C ATOM 907 OE1 GLU A 56 -6.081 11.518 -0.428 1.00 0.00 O ATOM 908 OE2 GLU A 56 -8.060 10.753 0.145 1.00 0.00 O ATOM 0 H GLU A 56 -5.639 6.960 -1.016 1.00 0.00 H new ATOM 0 HA GLU A 56 -6.272 8.084 -3.361 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -4.423 9.218 -1.207 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -5.374 10.175 -2.326 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -7.375 8.737 -1.285 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -6.257 8.595 0.057 1.00 0.00 H new ATOM 915 N HIS A 57 -3.085 7.546 -3.467 1.00 0.00 N ATOM 916 CA HIS A 57 -1.913 7.641 -4.345 1.00 0.00 C ATOM 917 C HIS A 57 -1.766 6.419 -5.248 1.00 0.00 C ATOM 918 O HIS A 57 -1.052 6.465 -6.249 1.00 0.00 O ATOM 919 CB HIS A 57 -0.651 7.834 -3.494 1.00 0.00 C ATOM 920 CG HIS A 57 -0.885 8.754 -2.352 1.00 0.00 C ATOM 921 ND1 HIS A 57 -1.405 10.023 -2.491 1.00 0.00 N ATOM 922 CD2 HIS A 57 -0.745 8.542 -1.034 1.00 0.00 C ATOM 923 CE1 HIS A 57 -1.581 10.550 -1.287 1.00 0.00 C ATOM 924 NE2 HIS A 57 -1.190 9.665 -0.378 1.00 0.00 N ATOM 0 H HIS A 57 -2.959 6.945 -2.653 1.00 0.00 H new ATOM 0 HA HIS A 57 -2.053 8.502 -4.999 1.00 0.00 H new ATOM 0 HB2 HIS A 57 -0.316 6.867 -3.118 1.00 0.00 H new ATOM 0 HB3 HIS A 57 0.151 8.228 -4.119 1.00 0.00 H new ATOM 0 HD2 HIS A 57 -0.353 7.648 -0.571 1.00 0.00 H new ATOM 0 HE1 HIS A 57 -1.976 11.534 -1.081 1.00 0.00 H new ATOM 0 HE2 HIS A 57 -1.215 9.796 0.633 1.00 0.00 H new ATOM 932 N PHE A 58 -2.443 5.332 -4.902 1.00 0.00 N ATOM 933 CA PHE A 58 -2.375 4.115 -5.702 1.00 0.00 C ATOM 934 C PHE A 58 -3.382 4.171 -6.851 1.00 0.00 C ATOM 935 O PHE A 58 -4.400 4.856 -6.756 1.00 0.00 O ATOM 936 CB PHE A 58 -2.660 2.892 -4.832 1.00 0.00 C ATOM 937 CG PHE A 58 -1.472 2.455 -4.034 1.00 0.00 C ATOM 938 CD1 PHE A 58 -0.471 1.702 -4.622 1.00 0.00 C ATOM 939 CD2 PHE A 58 -1.346 2.812 -2.702 1.00 0.00 C ATOM 940 CE1 PHE A 58 0.632 1.308 -3.893 1.00 0.00 C ATOM 941 CE2 PHE A 58 -0.246 2.425 -1.972 1.00 0.00 C ATOM 942 CZ PHE A 58 0.745 1.672 -2.568 1.00 0.00 C ATOM 0 H PHE A 58 -3.042 5.267 -4.079 1.00 0.00 H new ATOM 0 HA PHE A 58 -1.370 4.035 -6.115 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -3.483 3.118 -4.154 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -2.987 2.069 -5.467 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -0.554 1.420 -5.661 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -2.120 3.401 -2.231 1.00 0.00 H new ATOM 0 HE1 PHE A 58 1.405 0.716 -4.359 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -0.158 2.710 -0.934 1.00 0.00 H new ATOM 0 HZ PHE A 58 1.609 1.368 -1.996 1.00 0.00 H new ATOM 952 N THR A 59 -3.106 3.441 -7.929 1.00 0.00 N ATOM 953 CA THR A 59 -4.014 3.415 -9.074 1.00 0.00 C ATOM 954 C THR A 59 -5.165 2.445 -8.825 1.00 0.00 C ATOM 955 O THR A 59 -4.980 1.376 -8.243 1.00 0.00 O ATOM 956 CB THR A 59 -3.286 3.014 -10.362 1.00 0.00 C ATOM 957 OG1 THR A 59 -2.478 1.870 -10.144 1.00 0.00 O ATOM 958 CG2 THR A 59 -2.396 4.096 -10.947 1.00 0.00 C ATOM 0 H THR A 59 -2.271 2.865 -8.034 1.00 0.00 H new ATOM 0 HA THR A 59 -4.406 4.425 -9.196 1.00 0.00 H new ATOM 0 HB THR A 59 -4.086 2.818 -11.076 1.00 0.00 H new ATOM 0 HG1 THR A 59 -2.022 1.628 -10.977 1.00 0.00 H new ATOM 0 HG21 THR A 59 -1.921 3.725 -11.855 1.00 0.00 H new ATOM 0 HG22 THR A 59 -2.998 4.973 -11.184 1.00 0.00 H new ATOM 0 HG23 THR A 59 -1.629 4.368 -10.222 1.00 0.00 H new ATOM 966 N PRO A 60 -6.372 2.812 -9.278 1.00 0.00 N ATOM 967 CA PRO A 60 -7.576 1.985 -9.124 1.00 0.00 C ATOM 968 C PRO A 60 -7.372 0.566 -9.640 1.00 0.00 C ATOM 969 O PRO A 60 -7.841 -0.400 -9.041 1.00 0.00 O ATOM 970 CB PRO A 60 -8.608 2.713 -9.990 1.00 0.00 C ATOM 971 CG PRO A 60 -8.150 4.116 -10.002 1.00 0.00 C ATOM 972 CD PRO A 60 -6.655 4.067 -9.988 1.00 0.00 C ATOM 0 HA PRO A 60 -7.866 1.874 -8.079 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -8.645 2.298 -10.997 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -9.611 2.626 -9.572 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -8.514 4.637 -10.888 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -8.530 4.657 -9.135 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -6.242 4.062 -10.997 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -6.228 4.927 -9.473 1.00 0.00 H new ATOM 980 N ASP A 61 -6.675 0.455 -10.765 1.00 0.00 N ATOM 981 CA ASP A 61 -6.412 -0.841 -11.381 1.00 0.00 C ATOM 982 C ASP A 61 -5.651 -1.762 -10.435 1.00 0.00 C ATOM 983 O ASP A 61 -5.779 -2.984 -10.505 1.00 0.00 O ATOM 984 CB ASP A 61 -5.628 -0.662 -12.682 1.00 0.00 C ATOM 985 CG ASP A 61 -5.485 -1.960 -13.453 1.00 0.00 C ATOM 986 OD1 ASP A 61 -6.279 -2.891 -13.201 1.00 0.00 O ATOM 987 OD2 ASP A 61 -4.579 -2.045 -14.309 1.00 0.00 O ATOM 0 H ASP A 61 -6.281 1.249 -11.270 1.00 0.00 H new ATOM 0 HA ASP A 61 -7.373 -1.304 -11.603 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -6.131 0.076 -13.308 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -4.638 -0.266 -12.455 1.00 0.00 H new ATOM 992 N CYS A 62 -4.857 -1.170 -9.556 1.00 0.00 N ATOM 993 CA CYS A 62 -4.073 -1.934 -8.598 1.00 0.00 C ATOM 994 C CYS A 62 -4.911 -2.316 -7.372 1.00 0.00 C ATOM 995 O CYS A 62 -4.416 -2.966 -6.451 1.00 0.00 O ATOM 996 CB CYS A 62 -2.814 -1.134 -8.209 1.00 0.00 C ATOM 997 SG CYS A 62 -2.672 -0.690 -6.458 1.00 0.00 S ATOM 0 H CYS A 62 -4.738 -0.159 -9.486 1.00 0.00 H new ATOM 0 HA CYS A 62 -3.757 -2.869 -9.061 1.00 0.00 H new ATOM 0 HB2 CYS A 62 -1.936 -1.716 -8.489 1.00 0.00 H new ATOM 0 HB3 CYS A 62 -2.792 -0.218 -8.800 1.00 0.00 H new ATOM 0 HG CYS A 62 -3.278 -1.583 -5.733 1.00 0.00 H new ATOM 1003 N PHE A 63 -6.185 -1.920 -7.369 1.00 0.00 N ATOM 1004 CA PHE A 63 -7.080 -2.232 -6.259 1.00 0.00 C ATOM 1005 C PHE A 63 -8.139 -3.245 -6.686 1.00 0.00 C ATOM 1006 O PHE A 63 -9.325 -3.081 -6.394 1.00 0.00 O ATOM 1007 CB PHE A 63 -7.753 -0.956 -5.744 1.00 0.00 C ATOM 1008 CG PHE A 63 -7.015 -0.303 -4.612 1.00 0.00 C ATOM 1009 CD1 PHE A 63 -5.644 -0.127 -4.675 1.00 0.00 C ATOM 1010 CD2 PHE A 63 -7.693 0.137 -3.487 1.00 0.00 C ATOM 1011 CE1 PHE A 63 -4.959 0.475 -3.636 1.00 0.00 C ATOM 1012 CE2 PHE A 63 -7.015 0.740 -2.445 1.00 0.00 C ATOM 1013 CZ PHE A 63 -5.646 0.910 -2.520 1.00 0.00 C ATOM 0 H PHE A 63 -6.617 -1.384 -8.122 1.00 0.00 H new ATOM 0 HA PHE A 63 -6.487 -2.669 -5.456 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -7.843 -0.246 -6.566 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -8.765 -1.195 -5.417 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -5.102 -0.464 -5.546 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -8.763 0.007 -3.424 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -3.889 0.605 -3.697 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -7.555 1.078 -1.573 1.00 0.00 H new ATOM 0 HZ PHE A 63 -5.114 1.382 -1.707 1.00 0.00 H new ATOM 1164 N LEU A 72 -1.578 -4.589 -2.756 1.00 0.00 N ATOM 1165 CA LEU A 72 -0.344 -3.951 -3.188 1.00 0.00 C ATOM 1166 C LEU A 72 0.558 -4.966 -3.892 1.00 0.00 C ATOM 1167 O LEU A 72 1.732 -5.114 -3.553 1.00 0.00 O ATOM 1168 CB LEU A 72 0.380 -3.319 -1.996 1.00 0.00 C ATOM 1169 CG LEU A 72 1.030 -4.313 -1.028 1.00 0.00 C ATOM 1170 CD1 LEU A 72 2.520 -4.037 -0.890 1.00 0.00 C ATOM 1171 CD2 LEU A 72 0.347 -4.256 0.330 1.00 0.00 C ATOM 0 HA LEU A 72 -0.590 -3.159 -3.895 1.00 0.00 H new ATOM 0 HB2 LEU A 72 1.151 -2.647 -2.374 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -0.332 -2.708 -1.441 1.00 0.00 H new ATOM 0 HG LEU A 72 0.907 -5.317 -1.435 1.00 0.00 H new ATOM 0 HD11 LEU A 72 2.960 -4.755 -0.198 1.00 0.00 H new ATOM 0 HD12 LEU A 72 2.999 -4.131 -1.864 1.00 0.00 H new ATOM 0 HD13 LEU A 72 2.669 -3.027 -0.509 1.00 0.00 H new ATOM 0 HD21 LEU A 72 0.821 -4.968 1.006 1.00 0.00 H new ATOM 0 HD22 LEU A 72 0.438 -3.250 0.741 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -0.707 -4.509 0.218 1.00 0.00 H new ATOM 1183 N LYS A 73 -0.011 -5.670 -4.869 1.00 0.00 N ATOM 1184 CA LYS A 73 0.721 -6.685 -5.625 1.00 0.00 C ATOM 1185 C LYS A 73 1.863 -6.077 -6.430 1.00 0.00 C ATOM 1186 O LYS A 73 2.086 -4.866 -6.404 1.00 0.00 O ATOM 1187 CB LYS A 73 -0.231 -7.427 -6.565 1.00 0.00 C ATOM 1188 CG LYS A 73 -1.370 -8.129 -5.844 1.00 0.00 C ATOM 1189 CD LYS A 73 -2.380 -8.702 -6.826 1.00 0.00 C ATOM 1190 CE LYS A 73 -3.117 -7.605 -7.577 1.00 0.00 C ATOM 1191 NZ LYS A 73 -3.099 -7.829 -9.049 1.00 0.00 N ATOM 0 H LYS A 73 -0.983 -5.555 -5.157 1.00 0.00 H new ATOM 0 HA LYS A 73 1.150 -7.383 -4.907 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -0.647 -6.719 -7.281 1.00 0.00 H new ATOM 0 HB3 LYS A 73 0.335 -8.163 -7.136 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -0.970 -8.930 -5.222 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -1.868 -7.426 -5.176 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -1.869 -9.350 -7.538 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -3.098 -9.322 -6.289 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -4.149 -7.558 -7.230 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -2.661 -6.641 -7.351 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -3.612 -7.059 -9.524 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -2.115 -7.848 -9.385 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -3.557 -8.737 -9.268 1.00 0.00 H new ATOM 1205 N GLU A 74 2.582 -6.939 -7.145 1.00 0.00 N ATOM 1206 CA GLU A 74 3.713 -6.515 -7.970 1.00 0.00 C ATOM 1207 C GLU A 74 3.355 -5.296 -8.812 1.00 0.00 C ATOM 1208 O GLU A 74 4.210 -4.468 -9.124 1.00 0.00 O ATOM 1209 CB GLU A 74 4.168 -7.660 -8.876 1.00 0.00 C ATOM 1210 CG GLU A 74 5.343 -7.300 -9.773 1.00 0.00 C ATOM 1211 CD GLU A 74 5.136 -7.735 -11.211 1.00 0.00 C ATOM 1212 OE1 GLU A 74 4.237 -7.179 -11.875 1.00 0.00 O ATOM 1213 OE2 GLU A 74 5.873 -8.631 -11.672 1.00 0.00 O ATOM 0 H GLU A 74 2.400 -7.942 -7.170 1.00 0.00 H new ATOM 0 HA GLU A 74 4.530 -6.241 -7.302 1.00 0.00 H new ATOM 0 HB2 GLU A 74 4.443 -8.514 -8.257 1.00 0.00 H new ATOM 0 HB3 GLU A 74 3.330 -7.974 -9.498 1.00 0.00 H new ATOM 0 HG2 GLU A 74 5.501 -6.222 -9.743 1.00 0.00 H new ATOM 0 HG3 GLU A 74 6.248 -7.766 -9.384 1.00 0.00 H new ATOM 1220 N ASN A 75 2.086 -5.189 -9.168 1.00 0.00 N ATOM 1221 CA ASN A 75 1.611 -4.065 -9.963 1.00 0.00 C ATOM 1222 C ASN A 75 1.623 -2.793 -9.129 1.00 0.00 C ATOM 1223 O ASN A 75 2.011 -1.724 -9.599 1.00 0.00 O ATOM 1224 CB ASN A 75 0.197 -4.338 -10.469 1.00 0.00 C ATOM 1225 CG ASN A 75 0.154 -5.459 -11.490 1.00 0.00 C ATOM 1226 OD1 ASN A 75 0.999 -5.532 -12.383 1.00 0.00 O ATOM 1227 ND2 ASN A 75 -0.830 -6.340 -11.362 1.00 0.00 N ATOM 0 H ASN A 75 1.365 -5.866 -8.920 1.00 0.00 H new ATOM 0 HA ASN A 75 2.275 -3.937 -10.818 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -0.445 -4.594 -9.626 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -0.208 -3.429 -10.914 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -0.908 -7.116 -12.019 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -1.508 -6.241 -10.607 1.00 0.00 H new ATOM 1234 N ALA A 76 1.180 -2.940 -7.889 1.00 0.00 N ATOM 1235 CA ALA A 76 1.103 -1.847 -6.930 1.00 0.00 C ATOM 1236 C ALA A 76 2.185 -0.803 -7.131 1.00 0.00 C ATOM 1237 O ALA A 76 3.348 -1.130 -7.362 1.00 0.00 O ATOM 1238 CB ALA A 76 1.146 -2.394 -5.516 1.00 0.00 C ATOM 0 H ALA A 76 0.860 -3.833 -7.515 1.00 0.00 H new ATOM 0 HA ALA A 76 0.153 -1.341 -7.099 1.00 0.00 H new ATOM 0 HB1 ALA A 76 1.088 -1.570 -4.805 1.00 0.00 H new ATOM 0 HB2 ALA A 76 0.303 -3.067 -5.361 1.00 0.00 H new ATOM 0 HB3 ALA A 76 2.078 -2.939 -5.365 1.00 0.00 H new ATOM 1244 N VAL A 77 1.770 0.456 -7.050 1.00 0.00 N ATOM 1245 CA VAL A 77 2.665 1.584 -7.233 1.00 0.00 C ATOM 1246 C VAL A 77 1.930 2.893 -6.897 1.00 0.00 C ATOM 1247 O VAL A 77 0.766 3.061 -7.261 1.00 0.00 O ATOM 1248 CB VAL A 77 3.154 1.623 -8.701 1.00 0.00 C ATOM 1249 CG1 VAL A 77 3.518 3.035 -9.145 1.00 0.00 C ATOM 1250 CG2 VAL A 77 4.328 0.683 -8.909 1.00 0.00 C ATOM 0 H VAL A 77 0.804 0.720 -6.856 1.00 0.00 H new ATOM 0 HA VAL A 77 3.522 1.475 -6.568 1.00 0.00 H new ATOM 0 HB VAL A 77 2.323 1.287 -9.322 1.00 0.00 H new ATOM 0 HG11 VAL A 77 3.856 3.015 -10.181 1.00 0.00 H new ATOM 0 HG12 VAL A 77 2.643 3.680 -9.061 1.00 0.00 H new ATOM 0 HG13 VAL A 77 4.316 3.422 -8.511 1.00 0.00 H new ATOM 0 HG21 VAL A 77 4.652 0.730 -9.949 1.00 0.00 H new ATOM 0 HG22 VAL A 77 5.151 0.979 -8.259 1.00 0.00 H new ATOM 0 HG23 VAL A 77 4.025 -0.336 -8.669 1.00 0.00 H new ATOM 1260 N PRO A 78 2.595 3.838 -6.207 1.00 0.00 N ATOM 1261 CA PRO A 78 1.997 5.124 -5.839 1.00 0.00 C ATOM 1262 C PRO A 78 2.126 6.180 -6.941 1.00 0.00 C ATOM 1263 O PRO A 78 2.296 7.364 -6.655 1.00 0.00 O ATOM 1264 CB PRO A 78 2.810 5.529 -4.626 1.00 0.00 C ATOM 1265 CG PRO A 78 4.172 4.977 -4.887 1.00 0.00 C ATOM 1266 CD PRO A 78 3.984 3.734 -5.725 1.00 0.00 C ATOM 0 HA PRO A 78 0.925 5.042 -5.662 1.00 0.00 H new ATOM 0 HB2 PRO A 78 2.837 6.612 -4.510 1.00 0.00 H new ATOM 0 HB3 PRO A 78 2.385 5.120 -3.709 1.00 0.00 H new ATOM 0 HG2 PRO A 78 4.791 5.706 -5.410 1.00 0.00 H new ATOM 0 HG3 PRO A 78 4.679 4.740 -3.952 1.00 0.00 H new ATOM 0 HD2 PRO A 78 4.692 3.699 -6.553 1.00 0.00 H new ATOM 0 HD3 PRO A 78 4.136 2.829 -5.137 1.00 0.00 H new ATOM 1274 N THR A 79 2.061 5.721 -8.193 1.00 0.00 N ATOM 1275 CA THR A 79 2.175 6.565 -9.395 1.00 0.00 C ATOM 1276 C THR A 79 2.117 8.075 -9.122 1.00 0.00 C ATOM 1277 O THR A 79 2.969 8.823 -9.602 1.00 0.00 O ATOM 1278 CB THR A 79 1.074 6.193 -10.388 1.00 0.00 C ATOM 1279 OG1 THR A 79 1.067 4.798 -10.631 1.00 0.00 O ATOM 1280 CG2 THR A 79 1.212 6.892 -11.723 1.00 0.00 C ATOM 0 H THR A 79 1.925 4.733 -8.409 1.00 0.00 H new ATOM 0 HA THR A 79 3.166 6.367 -9.803 1.00 0.00 H new ATOM 0 HB THR A 79 0.143 6.516 -9.922 1.00 0.00 H new ATOM 0 HG1 THR A 79 0.354 4.580 -11.268 1.00 0.00 H new ATOM 0 HG21 THR A 79 0.399 6.584 -12.381 1.00 0.00 H new ATOM 0 HG22 THR A 79 1.170 7.971 -11.575 1.00 0.00 H new ATOM 0 HG23 THR A 79 2.167 6.625 -12.176 1.00 0.00 H new ATOM 1288 N ILE A 80 1.095 8.526 -8.395 1.00 0.00 N ATOM 1289 CA ILE A 80 0.917 9.944 -8.113 1.00 0.00 C ATOM 1290 C ILE A 80 2.238 10.661 -7.807 1.00 0.00 C ATOM 1291 O ILE A 80 2.387 11.845 -8.108 1.00 0.00 O ATOM 1292 CB ILE A 80 -0.095 10.169 -6.982 1.00 0.00 C ATOM 1293 CG1 ILE A 80 -1.484 10.120 -7.593 1.00 0.00 C ATOM 1294 CG2 ILE A 80 0.129 11.507 -6.280 1.00 0.00 C ATOM 1295 CD1 ILE A 80 -2.587 10.298 -6.595 1.00 0.00 C ATOM 0 H ILE A 80 0.377 7.925 -7.991 1.00 0.00 H new ATOM 0 HA ILE A 80 0.519 10.386 -9.026 1.00 0.00 H new ATOM 0 HB ILE A 80 0.026 9.394 -6.226 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -1.565 10.897 -8.353 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -1.615 9.164 -8.100 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -0.607 11.629 -5.486 1.00 0.00 H new ATOM 0 HG22 ILE A 80 1.131 11.530 -5.852 1.00 0.00 H new ATOM 0 HG23 ILE A 80 0.023 12.318 -7.000 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -3.550 10.252 -7.104 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -2.533 9.506 -5.848 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -2.482 11.266 -6.105 1.00 0.00 H new ATOM 1307 N PHE A 81 3.196 9.944 -7.223 1.00 0.00 N ATOM 1308 CA PHE A 81 4.487 10.524 -6.903 1.00 0.00 C ATOM 1309 C PHE A 81 5.575 9.956 -7.808 1.00 0.00 C ATOM 1310 O PHE A 81 6.577 10.617 -8.083 1.00 0.00 O ATOM 1311 CB PHE A 81 4.860 10.300 -5.431 1.00 0.00 C ATOM 1312 CG PHE A 81 3.800 10.723 -4.458 1.00 0.00 C ATOM 1313 CD1 PHE A 81 2.543 10.145 -4.488 1.00 0.00 C ATOM 1314 CD2 PHE A 81 4.064 11.696 -3.506 1.00 0.00 C ATOM 1315 CE1 PHE A 81 1.570 10.526 -3.589 1.00 0.00 C ATOM 1316 CE2 PHE A 81 3.092 12.083 -2.604 1.00 0.00 C ATOM 1317 CZ PHE A 81 1.844 11.494 -2.646 1.00 0.00 C ATOM 0 H PHE A 81 3.097 8.962 -6.964 1.00 0.00 H new ATOM 0 HA PHE A 81 4.409 11.598 -7.073 1.00 0.00 H new ATOM 0 HB2 PHE A 81 5.076 9.242 -5.279 1.00 0.00 H new ATOM 0 HB3 PHE A 81 5.777 10.847 -5.213 1.00 0.00 H new ATOM 0 HD1 PHE A 81 2.322 9.387 -5.224 1.00 0.00 H new ATOM 0 HD2 PHE A 81 5.040 12.156 -3.469 1.00 0.00 H new ATOM 0 HE1 PHE A 81 0.593 10.066 -3.623 1.00 0.00 H new ATOM 0 HE2 PHE A 81 3.308 12.844 -1.868 1.00 0.00 H new ATOM 0 HZ PHE A 81 1.082 11.791 -1.940 1.00 0.00 H new ATOM 1327 N LEU A 82 5.370 8.726 -8.272 1.00 0.00 N ATOM 1328 CA LEU A 82 6.330 8.068 -9.148 1.00 0.00 C ATOM 1329 C LEU A 82 5.803 8.003 -10.580 1.00 0.00 C ATOM 1330 O LEU A 82 5.497 6.926 -11.092 1.00 0.00 O ATOM 1331 CB LEU A 82 6.629 6.659 -8.634 1.00 0.00 C ATOM 1332 CG LEU A 82 7.645 5.872 -9.467 1.00 0.00 C ATOM 1333 CD1 LEU A 82 8.856 5.499 -8.624 1.00 0.00 C ATOM 1334 CD2 LEU A 82 6.999 4.626 -10.055 1.00 0.00 C ATOM 0 H LEU A 82 4.546 8.166 -8.054 1.00 0.00 H new ATOM 0 HA LEU A 82 7.251 8.651 -9.148 1.00 0.00 H new ATOM 0 HB2 LEU A 82 6.998 6.732 -7.611 1.00 0.00 H new ATOM 0 HB3 LEU A 82 5.697 6.096 -8.597 1.00 0.00 H new ATOM 0 HG LEU A 82 7.982 6.506 -10.287 1.00 0.00 H new ATOM 0 HD11 LEU A 82 9.566 4.940 -9.234 1.00 0.00 H new ATOM 0 HD12 LEU A 82 9.333 6.405 -8.251 1.00 0.00 H new ATOM 0 HD13 LEU A 82 8.538 4.884 -7.782 1.00 0.00 H new ATOM 0 HD21 LEU A 82 7.735 4.078 -10.644 1.00 0.00 H new ATOM 0 HD22 LEU A 82 6.634 3.990 -9.248 1.00 0.00 H new ATOM 0 HD23 LEU A 82 6.165 4.916 -10.694 1.00 0.00 H new