USER MOD reduce.3.24.130724 H: found=0, std=0, add=403, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 406 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 48 MET CE :methyl -165:sc= -0.0634 (180deg=-1.23) USER MOD Set 1.2: A 55 TYR OH : rot -30:sc= -0.0104 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 THR OG1 : rot -60:sc= 0.95 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ -146:sc= 0 (180deg=-0.589) USER MOD Single : A 38 CYS SG : rot 180:sc= 0.0145 USER MOD Single : A 39 LYS NZ :NH3+ 174:sc= 0.618 (180deg=0.602) USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 TYR OH : rot -60:sc= 1.11 USER MOD Single : A 50 ASN : amide:sc= 0.725 K(o=0.72,f=-6!) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 CYS SG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 THR OG1 : rot -39:sc= 0.342 USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot -38:sc= 0.117 USER MOD Single : A 66 MET CE :methyl -173:sc= 0 (180deg=-0.0303) USER MOD Single : A 72 ASN : amide:sc= 1.45 K(o=1.4,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 19 15.151 -1.812 17.717 1.00 0.00 N ATOM 2 CA GLY A 19 14.085 -1.412 16.772 1.00 0.00 C ATOM 3 C GLY A 19 13.547 -2.611 16.006 1.00 0.00 C ATOM 4 O GLY A 19 13.317 -3.666 16.596 1.00 0.00 O ATOM 0 HA2 GLY A 19 13.273 -0.933 17.318 1.00 0.00 H new ATOM 0 HA3 GLY A 19 14.476 -0.675 16.070 1.00 0.00 H new ATOM 10 N ASP A 20 13.353 -2.464 14.689 1.00 0.00 N ATOM 11 CA ASP A 20 12.899 -3.507 13.745 1.00 0.00 C ATOM 12 C ASP A 20 11.633 -4.281 14.195 1.00 0.00 C ATOM 13 O ASP A 20 11.542 -5.507 14.076 1.00 0.00 O ATOM 14 CB ASP A 20 14.098 -4.405 13.377 1.00 0.00 C ATOM 15 CG ASP A 20 13.831 -5.317 12.162 1.00 0.00 C ATOM 16 OD1 ASP A 20 13.276 -4.834 11.145 1.00 0.00 O ATOM 17 OD2 ASP A 20 14.228 -6.507 12.196 1.00 0.00 O ATOM 0 H ASP A 20 13.515 -1.571 14.224 1.00 0.00 H new ATOM 0 HA ASP A 20 12.547 -3.014 12.839 1.00 0.00 H new ATOM 0 HB2 ASP A 20 14.963 -3.776 13.166 1.00 0.00 H new ATOM 0 HB3 ASP A 20 14.356 -5.024 14.236 1.00 0.00 H new ATOM 22 N LYS A 21 10.646 -3.549 14.739 1.00 0.00 N ATOM 23 CA LYS A 21 9.340 -4.069 15.188 1.00 0.00 C ATOM 24 C LYS A 21 8.515 -4.736 14.072 1.00 0.00 C ATOM 25 O LYS A 21 8.718 -4.488 12.881 1.00 0.00 O ATOM 26 CB LYS A 21 8.538 -2.973 15.926 1.00 0.00 C ATOM 27 CG LYS A 21 7.971 -1.817 15.076 1.00 0.00 C ATOM 28 CD LYS A 21 9.015 -0.772 14.645 1.00 0.00 C ATOM 29 CE LYS A 21 8.370 0.486 14.043 1.00 0.00 C ATOM 30 NZ LYS A 21 7.780 0.236 12.699 1.00 0.00 N ATOM 0 H LYS A 21 10.737 -2.543 14.884 1.00 0.00 H new ATOM 0 HA LYS A 21 9.557 -4.872 15.893 1.00 0.00 H new ATOM 0 HB2 LYS A 21 7.706 -3.453 16.440 1.00 0.00 H new ATOM 0 HB3 LYS A 21 9.182 -2.543 16.693 1.00 0.00 H new ATOM 0 HG2 LYS A 21 7.503 -2.234 14.184 1.00 0.00 H new ATOM 0 HG3 LYS A 21 7.187 -1.316 15.643 1.00 0.00 H new ATOM 0 HD2 LYS A 21 9.620 -0.490 15.507 1.00 0.00 H new ATOM 0 HD3 LYS A 21 9.690 -1.217 13.914 1.00 0.00 H new ATOM 0 HE2 LYS A 21 7.593 0.849 14.716 1.00 0.00 H new ATOM 0 HE3 LYS A 21 9.120 1.274 13.967 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 7.358 1.115 12.336 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 8.524 -0.085 12.047 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 7.045 -0.496 12.773 1.00 0.00 H new ATOM 44 N GLU A 22 7.554 -5.568 14.473 1.00 0.00 N ATOM 45 CA GLU A 22 6.680 -6.371 13.613 1.00 0.00 C ATOM 46 C GLU A 22 5.804 -5.519 12.667 1.00 0.00 C ATOM 47 O GLU A 22 5.002 -4.695 13.114 1.00 0.00 O ATOM 48 CB GLU A 22 5.824 -7.267 14.526 1.00 0.00 C ATOM 49 CG GLU A 22 5.129 -8.378 13.741 1.00 0.00 C ATOM 50 CD GLU A 22 4.305 -9.288 14.672 1.00 0.00 C ATOM 51 OE1 GLU A 22 4.866 -10.268 15.224 1.00 0.00 O ATOM 52 OE2 GLU A 22 3.089 -9.037 14.860 1.00 0.00 O ATOM 0 H GLU A 22 7.352 -5.709 15.463 1.00 0.00 H new ATOM 0 HA GLU A 22 7.297 -6.976 12.948 1.00 0.00 H new ATOM 0 HB2 GLU A 22 6.455 -7.707 15.298 1.00 0.00 H new ATOM 0 HB3 GLU A 22 5.076 -6.659 15.034 1.00 0.00 H new ATOM 0 HG2 GLU A 22 4.476 -7.940 12.986 1.00 0.00 H new ATOM 0 HG3 GLU A 22 5.873 -8.973 13.212 1.00 0.00 H new ATOM 59 N GLU A 23 5.956 -5.711 11.352 1.00 0.00 N ATOM 60 CA GLU A 23 5.125 -5.094 10.305 1.00 0.00 C ATOM 61 C GLU A 23 3.831 -5.892 10.005 1.00 0.00 C ATOM 62 O GLU A 23 3.612 -6.989 10.527 1.00 0.00 O ATOM 63 CB GLU A 23 5.976 -4.869 9.038 1.00 0.00 C ATOM 64 CG GLU A 23 6.507 -6.160 8.400 1.00 0.00 C ATOM 65 CD GLU A 23 7.220 -5.859 7.068 1.00 0.00 C ATOM 66 OE1 GLU A 23 6.527 -5.703 6.031 1.00 0.00 O ATOM 67 OE2 GLU A 23 8.473 -5.778 7.048 1.00 0.00 O ATOM 0 H GLU A 23 6.682 -6.318 10.972 1.00 0.00 H new ATOM 0 HA GLU A 23 4.781 -4.129 10.677 1.00 0.00 H new ATOM 0 HB2 GLU A 23 5.377 -4.333 8.302 1.00 0.00 H new ATOM 0 HB3 GLU A 23 6.820 -4.227 9.290 1.00 0.00 H new ATOM 0 HG2 GLU A 23 7.198 -6.652 9.085 1.00 0.00 H new ATOM 0 HG3 GLU A 23 5.682 -6.852 8.228 1.00 0.00 H new ATOM 74 N CYS A 24 2.968 -5.340 9.146 1.00 0.00 N ATOM 75 CA CYS A 24 1.612 -5.831 8.847 1.00 0.00 C ATOM 76 C CYS A 24 1.443 -6.426 7.426 1.00 0.00 C ATOM 77 O CYS A 24 0.314 -6.560 6.949 1.00 0.00 O ATOM 78 CB CYS A 24 0.623 -4.681 9.096 1.00 0.00 C ATOM 79 SG CYS A 24 0.720 -3.330 7.884 1.00 0.00 S ATOM 0 H CYS A 24 3.203 -4.501 8.615 1.00 0.00 H new ATOM 0 HA CYS A 24 1.409 -6.671 9.512 1.00 0.00 H new ATOM 0 HB2 CYS A 24 -0.390 -5.083 9.093 1.00 0.00 H new ATOM 0 HB3 CYS A 24 0.802 -4.273 10.091 1.00 0.00 H new ATOM 84 N THR A 25 2.556 -6.746 6.750 1.00 0.00 N ATOM 85 CA THR A 25 2.752 -7.013 5.303 1.00 0.00 C ATOM 86 C THR A 25 1.485 -7.296 4.484 1.00 0.00 C ATOM 87 O THR A 25 1.062 -6.461 3.682 1.00 0.00 O ATOM 88 CB THR A 25 3.801 -8.124 5.077 1.00 0.00 C ATOM 89 OG1 THR A 25 4.892 -7.998 5.962 1.00 0.00 O ATOM 90 CG2 THR A 25 4.371 -8.103 3.660 1.00 0.00 C ATOM 0 H THR A 25 3.440 -6.836 7.250 1.00 0.00 H new ATOM 0 HA THR A 25 3.118 -6.062 4.916 1.00 0.00 H new ATOM 0 HB THR A 25 3.269 -9.059 5.252 1.00 0.00 H new ATOM 0 HG1 THR A 25 5.326 -7.130 5.824 1.00 0.00 H new ATOM 0 HG21 THR A 25 5.104 -8.902 3.551 1.00 0.00 H new ATOM 0 HG22 THR A 25 3.565 -8.249 2.941 1.00 0.00 H new ATOM 0 HG23 THR A 25 4.852 -7.142 3.475 1.00 0.00 H new ATOM 98 N VAL A 26 0.902 -8.479 4.671 1.00 0.00 N ATOM 99 CA VAL A 26 -0.300 -8.996 3.995 1.00 0.00 C ATOM 100 C VAL A 26 -1.172 -9.831 4.957 1.00 0.00 C ATOM 101 O VAL A 26 -0.635 -10.449 5.883 1.00 0.00 O ATOM 102 CB VAL A 26 0.073 -9.845 2.757 1.00 0.00 C ATOM 103 CG1 VAL A 26 0.503 -8.962 1.580 1.00 0.00 C ATOM 104 CG2 VAL A 26 1.182 -10.876 3.016 1.00 0.00 C ATOM 0 H VAL A 26 1.277 -9.150 5.341 1.00 0.00 H new ATOM 0 HA VAL A 26 -0.876 -8.132 3.665 1.00 0.00 H new ATOM 0 HB VAL A 26 -0.840 -10.389 2.516 1.00 0.00 H new ATOM 0 HG11 VAL A 26 0.758 -9.591 0.727 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -0.315 -8.295 1.307 1.00 0.00 H new ATOM 0 HG13 VAL A 26 1.372 -8.371 1.867 1.00 0.00 H new ATOM 0 HG21 VAL A 26 1.385 -11.430 2.100 1.00 0.00 H new ATOM 0 HG22 VAL A 26 2.088 -10.363 3.338 1.00 0.00 H new ATOM 0 HG23 VAL A 26 0.861 -11.568 3.795 1.00 0.00 H new ATOM 114 N PRO A 27 -2.507 -9.891 4.753 1.00 0.00 N ATOM 115 CA PRO A 27 -3.426 -10.658 5.606 1.00 0.00 C ATOM 116 C PRO A 27 -3.393 -12.175 5.341 1.00 0.00 C ATOM 117 O PRO A 27 -3.682 -12.966 6.242 1.00 0.00 O ATOM 118 CB PRO A 27 -4.814 -10.083 5.296 1.00 0.00 C ATOM 119 CG PRO A 27 -4.698 -9.618 3.846 1.00 0.00 C ATOM 120 CD PRO A 27 -3.256 -9.124 3.768 1.00 0.00 C ATOM 0 HA PRO A 27 -3.143 -10.561 6.654 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -5.594 -10.835 5.414 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -5.063 -9.257 5.963 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -4.887 -10.430 3.144 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -5.411 -8.826 3.616 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -2.848 -9.272 2.768 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -3.199 -8.057 3.981 1.00 0.00 H new ATOM 128 N ILE A 28 -3.043 -12.579 4.115 1.00 0.00 N ATOM 129 CA ILE A 28 -2.968 -13.962 3.615 1.00 0.00 C ATOM 130 C ILE A 28 -1.689 -14.182 2.793 1.00 0.00 C ATOM 131 O ILE A 28 -0.887 -13.260 2.639 1.00 0.00 O ATOM 132 CB ILE A 28 -4.255 -14.342 2.834 1.00 0.00 C ATOM 133 CG1 ILE A 28 -4.474 -13.456 1.585 1.00 0.00 C ATOM 134 CG2 ILE A 28 -5.482 -14.315 3.764 1.00 0.00 C ATOM 135 CD1 ILE A 28 -5.588 -13.959 0.659 1.00 0.00 C ATOM 0 H ILE A 28 -2.787 -11.904 3.394 1.00 0.00 H new ATOM 0 HA ILE A 28 -2.910 -14.636 4.469 1.00 0.00 H new ATOM 0 HB ILE A 28 -4.121 -15.360 2.469 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -4.712 -12.442 1.907 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -3.543 -13.401 1.022 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -6.374 -14.584 3.198 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -5.339 -15.028 4.576 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -5.603 -13.314 4.177 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -5.683 -13.287 -0.194 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -5.343 -14.961 0.306 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -6.531 -13.987 1.206 1.00 0.00 H new ATOM 147 N GLY A 29 -1.505 -15.380 2.231 1.00 0.00 N ATOM 148 CA GLY A 29 -0.435 -15.728 1.279 1.00 0.00 C ATOM 149 C GLY A 29 -0.565 -15.047 -0.094 1.00 0.00 C ATOM 150 O GLY A 29 -0.365 -15.686 -1.129 1.00 0.00 O ATOM 0 H GLY A 29 -2.120 -16.169 2.432 1.00 0.00 H new ATOM 0 HA2 GLY A 29 0.526 -15.458 1.716 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -0.428 -16.809 1.137 1.00 0.00 H new ATOM 154 N TRP A 30 -0.927 -13.761 -0.112 1.00 0.00 N ATOM 155 CA TRP A 30 -1.021 -12.893 -1.281 1.00 0.00 C ATOM 156 C TRP A 30 0.338 -12.782 -2.005 1.00 0.00 C ATOM 157 O TRP A 30 1.395 -12.733 -1.366 1.00 0.00 O ATOM 158 CB TRP A 30 -1.537 -11.534 -0.774 1.00 0.00 C ATOM 159 CG TRP A 30 -1.506 -10.410 -1.756 1.00 0.00 C ATOM 160 CD1 TRP A 30 -0.379 -9.788 -2.155 1.00 0.00 C ATOM 161 CD2 TRP A 30 -2.605 -9.747 -2.451 1.00 0.00 C ATOM 162 NE1 TRP A 30 -0.685 -8.852 -3.125 1.00 0.00 N ATOM 163 CE2 TRP A 30 -2.047 -8.780 -3.341 1.00 0.00 C ATOM 164 CE3 TRP A 30 -4.014 -9.852 -2.410 1.00 0.00 C ATOM 165 CZ2 TRP A 30 -2.843 -7.980 -4.175 1.00 0.00 C ATOM 166 CZ3 TRP A 30 -4.822 -9.051 -3.241 1.00 0.00 C ATOM 167 CH2 TRP A 30 -4.241 -8.123 -4.126 1.00 0.00 C ATOM 0 H TRP A 30 -1.178 -13.271 0.747 1.00 0.00 H new ATOM 0 HA TRP A 30 -1.707 -13.298 -2.025 1.00 0.00 H new ATOM 0 HB2 TRP A 30 -2.564 -11.663 -0.433 1.00 0.00 H new ATOM 0 HB3 TRP A 30 -0.946 -11.246 0.096 1.00 0.00 H new ATOM 0 HD1 TRP A 30 0.612 -9.990 -1.775 1.00 0.00 H new ATOM 0 HE1 TRP A 30 0.006 -8.287 -3.618 1.00 0.00 H new ATOM 0 HE3 TRP A 30 -4.477 -10.555 -1.733 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 -2.389 -7.265 -4.845 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 -5.897 -9.150 -3.199 1.00 0.00 H new ATOM 0 HH2 TRP A 30 -4.869 -7.521 -4.767 1.00 0.00 H new ATOM 178 N SER A 31 0.320 -12.712 -3.341 1.00 0.00 N ATOM 179 CA SER A 31 1.518 -12.567 -4.184 1.00 0.00 C ATOM 180 C SER A 31 2.067 -11.130 -4.168 1.00 0.00 C ATOM 181 O SER A 31 1.732 -10.287 -5.004 1.00 0.00 O ATOM 182 CB SER A 31 1.224 -13.051 -5.606 1.00 0.00 C ATOM 183 OG SER A 31 2.429 -13.191 -6.343 1.00 0.00 O ATOM 0 H SER A 31 -0.545 -12.755 -3.880 1.00 0.00 H new ATOM 0 HA SER A 31 2.304 -13.196 -3.765 1.00 0.00 H new ATOM 0 HB2 SER A 31 0.700 -14.006 -5.570 1.00 0.00 H new ATOM 0 HB3 SER A 31 0.564 -12.344 -6.108 1.00 0.00 H new ATOM 0 HG SER A 31 2.224 -13.503 -7.249 1.00 0.00 H new ATOM 189 N GLU A 32 2.894 -10.835 -3.165 1.00 0.00 N ATOM 190 CA GLU A 32 3.616 -9.561 -3.008 1.00 0.00 C ATOM 191 C GLU A 32 4.641 -9.294 -4.143 1.00 0.00 C ATOM 192 O GLU A 32 5.150 -10.242 -4.754 1.00 0.00 O ATOM 193 CB GLU A 32 4.309 -9.525 -1.629 1.00 0.00 C ATOM 194 CG GLU A 32 5.257 -10.710 -1.364 1.00 0.00 C ATOM 195 CD GLU A 32 6.166 -10.482 -0.138 1.00 0.00 C ATOM 196 OE1 GLU A 32 5.705 -9.923 0.886 1.00 0.00 O ATOM 197 OE2 GLU A 32 7.355 -10.884 -0.184 1.00 0.00 O ATOM 0 H GLU A 32 3.090 -11.494 -2.412 1.00 0.00 H new ATOM 0 HA GLU A 32 2.878 -8.762 -3.074 1.00 0.00 H new ATOM 0 HB2 GLU A 32 4.874 -8.597 -1.544 1.00 0.00 H new ATOM 0 HB3 GLU A 32 3.545 -9.506 -0.852 1.00 0.00 H new ATOM 0 HG2 GLU A 32 4.668 -11.614 -1.211 1.00 0.00 H new ATOM 0 HG3 GLU A 32 5.877 -10.878 -2.245 1.00 0.00 H new ATOM 204 N PRO A 33 4.999 -8.021 -4.416 1.00 0.00 N ATOM 205 CA PRO A 33 6.040 -7.672 -5.383 1.00 0.00 C ATOM 206 C PRO A 33 7.439 -8.021 -4.841 1.00 0.00 C ATOM 207 O PRO A 33 7.745 -7.787 -3.669 1.00 0.00 O ATOM 208 CB PRO A 33 5.874 -6.166 -5.626 1.00 0.00 C ATOM 209 CG PRO A 33 5.301 -5.653 -4.306 1.00 0.00 C ATOM 210 CD PRO A 33 4.412 -6.812 -3.856 1.00 0.00 C ATOM 0 HA PRO A 33 5.944 -8.234 -6.312 1.00 0.00 H new ATOM 0 HB2 PRO A 33 6.826 -5.690 -5.862 1.00 0.00 H new ATOM 0 HB3 PRO A 33 5.202 -5.966 -6.460 1.00 0.00 H new ATOM 0 HG2 PRO A 33 6.085 -5.438 -3.580 1.00 0.00 H new ATOM 0 HG3 PRO A 33 4.731 -4.734 -4.441 1.00 0.00 H new ATOM 0 HD2 PRO A 33 4.369 -6.869 -2.768 1.00 0.00 H new ATOM 0 HD3 PRO A 33 3.390 -6.677 -4.209 1.00 0.00 H new ATOM 218 N VAL A 34 8.305 -8.568 -5.703 1.00 0.00 N ATOM 219 CA VAL A 34 9.715 -8.870 -5.371 1.00 0.00 C ATOM 220 C VAL A 34 10.554 -7.584 -5.293 1.00 0.00 C ATOM 221 O VAL A 34 11.392 -7.437 -4.400 1.00 0.00 O ATOM 222 CB VAL A 34 10.325 -9.864 -6.384 1.00 0.00 C ATOM 223 CG1 VAL A 34 11.780 -10.220 -6.049 1.00 0.00 C ATOM 224 CG2 VAL A 34 9.532 -11.178 -6.413 1.00 0.00 C ATOM 0 H VAL A 34 8.051 -8.818 -6.659 1.00 0.00 H new ATOM 0 HA VAL A 34 9.730 -9.341 -4.388 1.00 0.00 H new ATOM 0 HB VAL A 34 10.284 -9.362 -7.350 1.00 0.00 H new ATOM 0 HG11 VAL A 34 12.163 -10.921 -6.790 1.00 0.00 H new ATOM 0 HG12 VAL A 34 12.387 -9.315 -6.058 1.00 0.00 H new ATOM 0 HG13 VAL A 34 11.824 -10.677 -5.060 1.00 0.00 H new ATOM 0 HG21 VAL A 34 9.983 -11.859 -7.134 1.00 0.00 H new ATOM 0 HG22 VAL A 34 9.548 -11.635 -5.423 1.00 0.00 H new ATOM 0 HG23 VAL A 34 8.501 -10.974 -6.702 1.00 0.00 H new ATOM 234 N LYS A 35 10.312 -6.638 -6.212 1.00 0.00 N ATOM 235 CA LYS A 35 10.928 -5.300 -6.234 1.00 0.00 C ATOM 236 C LYS A 35 10.428 -4.413 -5.081 1.00 0.00 C ATOM 237 O LYS A 35 9.369 -4.656 -4.496 1.00 0.00 O ATOM 238 CB LYS A 35 10.666 -4.622 -7.593 1.00 0.00 C ATOM 239 CG LYS A 35 11.382 -5.338 -8.750 1.00 0.00 C ATOM 240 CD LYS A 35 11.125 -4.713 -10.133 1.00 0.00 C ATOM 241 CE LYS A 35 11.796 -3.346 -10.353 1.00 0.00 C ATOM 242 NZ LYS A 35 10.953 -2.199 -9.914 1.00 0.00 N ATOM 0 H LYS A 35 9.663 -6.786 -6.985 1.00 0.00 H new ATOM 0 HA LYS A 35 12.002 -5.427 -6.096 1.00 0.00 H new ATOM 0 HB2 LYS A 35 9.594 -4.605 -7.787 1.00 0.00 H new ATOM 0 HB3 LYS A 35 10.998 -3.585 -7.549 1.00 0.00 H new ATOM 0 HG2 LYS A 35 12.455 -5.335 -8.556 1.00 0.00 H new ATOM 0 HG3 LYS A 35 11.064 -6.380 -8.770 1.00 0.00 H new ATOM 0 HD2 LYS A 35 11.477 -5.403 -10.900 1.00 0.00 H new ATOM 0 HD3 LYS A 35 10.050 -4.602 -10.273 1.00 0.00 H new ATOM 0 HE2 LYS A 35 12.741 -3.322 -9.811 1.00 0.00 H new ATOM 0 HE3 LYS A 35 12.032 -3.231 -11.411 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 11.118 -1.386 -10.542 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 9.950 -2.470 -9.955 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 11.202 -1.939 -8.938 1.00 0.00 H new ATOM 256 N GLY A 36 11.185 -3.358 -4.785 1.00 0.00 N ATOM 257 CA GLY A 36 10.904 -2.380 -3.729 1.00 0.00 C ATOM 258 C GLY A 36 12.105 -1.464 -3.487 1.00 0.00 C ATOM 259 O GLY A 36 12.621 -0.862 -4.431 1.00 0.00 O ATOM 0 H GLY A 36 12.045 -3.151 -5.293 1.00 0.00 H new ATOM 0 HA2 GLY A 36 10.037 -1.781 -4.007 1.00 0.00 H new ATOM 0 HA3 GLY A 36 10.649 -2.901 -2.806 1.00 0.00 H new ATOM 263 N LEU A 37 12.563 -1.374 -2.230 1.00 0.00 N ATOM 264 CA LEU A 37 13.667 -0.507 -1.774 1.00 0.00 C ATOM 265 C LEU A 37 13.512 0.952 -2.260 1.00 0.00 C ATOM 266 O LEU A 37 14.446 1.578 -2.777 1.00 0.00 O ATOM 267 CB LEU A 37 15.031 -1.147 -2.123 1.00 0.00 C ATOM 268 CG LEU A 37 15.232 -2.596 -1.634 1.00 0.00 C ATOM 269 CD1 LEU A 37 16.607 -3.101 -2.074 1.00 0.00 C ATOM 270 CD2 LEU A 37 15.146 -2.726 -0.112 1.00 0.00 C ATOM 0 H LEU A 37 12.161 -1.924 -1.471 1.00 0.00 H new ATOM 0 HA LEU A 37 13.624 -0.434 -0.687 1.00 0.00 H new ATOM 0 HB2 LEU A 37 15.155 -1.128 -3.206 1.00 0.00 H new ATOM 0 HB3 LEU A 37 15.822 -0.527 -1.701 1.00 0.00 H new ATOM 0 HG LEU A 37 14.429 -3.187 -2.074 1.00 0.00 H new ATOM 0 HD11 LEU A 37 16.747 -4.125 -1.727 1.00 0.00 H new ATOM 0 HD12 LEU A 37 16.674 -3.074 -3.162 1.00 0.00 H new ATOM 0 HD13 LEU A 37 17.382 -2.465 -1.647 1.00 0.00 H new ATOM 0 HD21 LEU A 37 15.295 -3.767 0.173 1.00 0.00 H new ATOM 0 HD22 LEU A 37 15.917 -2.109 0.350 1.00 0.00 H new ATOM 0 HD23 LEU A 37 14.165 -2.394 0.227 1.00 0.00 H new ATOM 282 N CYS A 38 12.289 1.472 -2.119 1.00 0.00 N ATOM 283 CA CYS A 38 11.869 2.807 -2.544 1.00 0.00 C ATOM 284 C CYS A 38 12.623 3.926 -1.795 1.00 0.00 C ATOM 285 O CYS A 38 12.993 3.775 -0.625 1.00 0.00 O ATOM 286 CB CYS A 38 10.350 2.932 -2.322 1.00 0.00 C ATOM 287 SG CYS A 38 9.455 1.637 -3.237 1.00 0.00 S ATOM 0 H CYS A 38 11.530 0.947 -1.684 1.00 0.00 H new ATOM 0 HA CYS A 38 12.111 2.929 -3.600 1.00 0.00 H new ATOM 0 HB2 CYS A 38 10.126 2.853 -1.258 1.00 0.00 H new ATOM 0 HB3 CYS A 38 10.010 3.915 -2.648 1.00 0.00 H new ATOM 0 HG CYS A 38 8.178 1.764 -3.031 1.00 0.00 H new ATOM 293 N LYS A 39 12.813 5.071 -2.468 1.00 0.00 N ATOM 294 CA LYS A 39 13.560 6.246 -1.970 1.00 0.00 C ATOM 295 C LYS A 39 12.847 7.596 -2.168 1.00 0.00 C ATOM 296 O LYS A 39 13.326 8.617 -1.672 1.00 0.00 O ATOM 297 CB LYS A 39 15.007 6.250 -2.513 1.00 0.00 C ATOM 298 CG LYS A 39 15.153 6.217 -4.048 1.00 0.00 C ATOM 299 CD LYS A 39 15.222 4.795 -4.633 1.00 0.00 C ATOM 300 CE LYS A 39 16.551 4.097 -4.316 1.00 0.00 C ATOM 301 NZ LYS A 39 16.501 2.654 -4.670 1.00 0.00 N ATOM 0 H LYS A 39 12.440 5.214 -3.406 1.00 0.00 H new ATOM 0 HA LYS A 39 13.603 6.133 -0.887 1.00 0.00 H new ATOM 0 HB2 LYS A 39 15.512 7.141 -2.139 1.00 0.00 H new ATOM 0 HB3 LYS A 39 15.532 5.389 -2.099 1.00 0.00 H new ATOM 0 HG2 LYS A 39 14.310 6.744 -4.496 1.00 0.00 H new ATOM 0 HG3 LYS A 39 16.055 6.760 -4.330 1.00 0.00 H new ATOM 0 HD2 LYS A 39 14.399 4.201 -4.236 1.00 0.00 H new ATOM 0 HD3 LYS A 39 15.088 4.843 -5.714 1.00 0.00 H new ATOM 0 HE2 LYS A 39 17.358 4.581 -4.866 1.00 0.00 H new ATOM 0 HE3 LYS A 39 16.777 4.206 -3.255 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 17.443 2.232 -4.540 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 15.816 2.169 -4.055 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 16.209 2.550 -5.663 1.00 0.00 H new ATOM 315 N ALA A 40 11.697 7.613 -2.848 1.00 0.00 N ATOM 316 CA ALA A 40 10.804 8.772 -2.921 1.00 0.00 C ATOM 317 C ALA A 40 10.080 9.036 -1.579 1.00 0.00 C ATOM 318 O ALA A 40 10.070 8.194 -0.673 1.00 0.00 O ATOM 319 CB ALA A 40 9.801 8.543 -4.064 1.00 0.00 C ATOM 0 H ALA A 40 11.355 6.808 -3.372 1.00 0.00 H new ATOM 0 HA ALA A 40 11.396 9.665 -3.123 1.00 0.00 H new ATOM 0 HB1 ALA A 40 9.127 9.397 -4.133 1.00 0.00 H new ATOM 0 HB2 ALA A 40 10.341 8.429 -5.004 1.00 0.00 H new ATOM 0 HB3 ALA A 40 9.223 7.640 -3.866 1.00 0.00 H new ATOM 325 N ARG A 41 9.425 10.200 -1.478 1.00 0.00 N ATOM 326 CA ARG A 41 8.625 10.665 -0.321 1.00 0.00 C ATOM 327 C ARG A 41 7.102 10.607 -0.550 1.00 0.00 C ATOM 328 O ARG A 41 6.332 11.073 0.292 1.00 0.00 O ATOM 329 CB ARG A 41 9.131 12.056 0.121 1.00 0.00 C ATOM 330 CG ARG A 41 8.944 13.159 -0.939 1.00 0.00 C ATOM 331 CD ARG A 41 9.598 14.487 -0.537 1.00 0.00 C ATOM 332 NE ARG A 41 8.876 15.163 0.559 1.00 0.00 N ATOM 333 CZ ARG A 41 9.104 16.381 1.020 1.00 0.00 C ATOM 334 NH1 ARG A 41 10.063 17.131 0.551 1.00 0.00 N ATOM 335 NH2 ARG A 41 8.363 16.879 1.968 1.00 0.00 N ATOM 0 H ARG A 41 9.435 10.883 -2.236 1.00 0.00 H new ATOM 0 HA ARG A 41 8.779 9.965 0.500 1.00 0.00 H new ATOM 0 HB2 ARG A 41 8.608 12.349 1.031 1.00 0.00 H new ATOM 0 HB3 ARG A 41 10.189 11.983 0.371 1.00 0.00 H new ATOM 0 HG2 ARG A 41 9.367 12.823 -1.885 1.00 0.00 H new ATOM 0 HG3 ARG A 41 7.879 13.320 -1.106 1.00 0.00 H new ATOM 0 HD2 ARG A 41 10.628 14.303 -0.231 1.00 0.00 H new ATOM 0 HD3 ARG A 41 9.636 15.147 -1.404 1.00 0.00 H new ATOM 0 HE ARG A 41 8.125 14.637 1.006 1.00 0.00 H new ATOM 0 HH11 ARG A 41 10.665 16.782 -0.195 1.00 0.00 H new ATOM 0 HH12 ARG A 41 10.211 18.066 0.930 1.00 0.00 H new ATOM 0 HH21 ARG A 41 7.600 16.328 2.361 1.00 0.00 H new ATOM 0 HH22 ARG A 41 8.546 17.820 2.318 1.00 0.00 H new ATOM 349 N PHE A 42 6.671 10.051 -1.684 1.00 0.00 N ATOM 350 CA PHE A 42 5.284 9.949 -2.148 1.00 0.00 C ATOM 351 C PHE A 42 5.084 8.652 -2.959 1.00 0.00 C ATOM 352 O PHE A 42 5.701 8.462 -4.011 1.00 0.00 O ATOM 353 CB PHE A 42 4.909 11.208 -2.960 1.00 0.00 C ATOM 354 CG PHE A 42 5.712 11.448 -4.233 1.00 0.00 C ATOM 355 CD1 PHE A 42 7.016 11.977 -4.165 1.00 0.00 C ATOM 356 CD2 PHE A 42 5.167 11.119 -5.490 1.00 0.00 C ATOM 357 CE1 PHE A 42 7.783 12.139 -5.332 1.00 0.00 C ATOM 358 CE2 PHE A 42 5.931 11.283 -6.661 1.00 0.00 C ATOM 359 CZ PHE A 42 7.242 11.783 -6.580 1.00 0.00 C ATOM 0 H PHE A 42 7.324 9.632 -2.347 1.00 0.00 H new ATOM 0 HA PHE A 42 4.614 9.898 -1.290 1.00 0.00 H new ATOM 0 HB2 PHE A 42 3.854 11.143 -3.227 1.00 0.00 H new ATOM 0 HB3 PHE A 42 5.021 12.079 -2.314 1.00 0.00 H new ATOM 0 HD1 PHE A 42 7.430 12.260 -3.209 1.00 0.00 H new ATOM 0 HD2 PHE A 42 4.158 10.739 -5.555 1.00 0.00 H new ATOM 0 HE1 PHE A 42 8.785 12.536 -5.270 1.00 0.00 H new ATOM 0 HE2 PHE A 42 5.510 11.025 -7.621 1.00 0.00 H new ATOM 0 HZ PHE A 42 7.834 11.894 -7.477 1.00 0.00 H new ATOM 369 N THR A 43 4.238 7.745 -2.461 1.00 0.00 N ATOM 370 CA THR A 43 3.908 6.454 -3.099 1.00 0.00 C ATOM 371 C THR A 43 2.419 6.115 -2.907 1.00 0.00 C ATOM 372 O THR A 43 1.765 6.656 -2.011 1.00 0.00 O ATOM 373 CB THR A 43 4.810 5.335 -2.535 1.00 0.00 C ATOM 374 OG1 THR A 43 6.175 5.706 -2.576 1.00 0.00 O ATOM 375 CG2 THR A 43 4.704 4.045 -3.345 1.00 0.00 C ATOM 0 H THR A 43 3.747 7.887 -1.578 1.00 0.00 H new ATOM 0 HA THR A 43 4.094 6.537 -4.170 1.00 0.00 H new ATOM 0 HB THR A 43 4.466 5.178 -1.513 1.00 0.00 H new ATOM 0 HG1 THR A 43 6.723 4.980 -2.211 1.00 0.00 H new ATOM 0 HG21 THR A 43 5.356 3.288 -2.910 1.00 0.00 H new ATOM 0 HG22 THR A 43 3.674 3.689 -3.329 1.00 0.00 H new ATOM 0 HG23 THR A 43 5.006 4.236 -4.375 1.00 0.00 H new ATOM 383 N ARG A 44 1.855 5.235 -3.749 1.00 0.00 N ATOM 384 CA ARG A 44 0.467 4.745 -3.641 1.00 0.00 C ATOM 385 C ARG A 44 0.331 3.693 -2.530 1.00 0.00 C ATOM 386 O ARG A 44 1.253 2.903 -2.305 1.00 0.00 O ATOM 387 CB ARG A 44 0.027 4.174 -5.006 1.00 0.00 C ATOM 388 CG ARG A 44 -1.423 4.499 -5.350 1.00 0.00 C ATOM 389 CD ARG A 44 -1.547 5.956 -5.813 1.00 0.00 C ATOM 390 NE ARG A 44 -2.957 6.286 -6.015 1.00 0.00 N ATOM 391 CZ ARG A 44 -3.488 7.324 -6.631 1.00 0.00 C ATOM 392 NH1 ARG A 44 -2.766 8.238 -7.213 1.00 0.00 N ATOM 393 NH2 ARG A 44 -4.781 7.457 -6.656 1.00 0.00 N ATOM 0 H ARG A 44 2.359 4.835 -4.540 1.00 0.00 H new ATOM 0 HA ARG A 44 -0.185 5.576 -3.372 1.00 0.00 H new ATOM 0 HB2 ARG A 44 0.677 4.571 -5.786 1.00 0.00 H new ATOM 0 HB3 ARG A 44 0.159 3.092 -5.000 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -1.776 3.830 -6.134 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -2.057 4.332 -4.479 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -1.109 6.623 -5.070 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -0.992 6.103 -6.740 1.00 0.00 H new ATOM 0 HE ARG A 44 -3.623 5.620 -5.625 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -1.749 8.167 -7.203 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -3.218 9.025 -7.678 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -5.374 6.762 -6.202 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -5.202 8.256 -7.130 1.00 0.00 H new ATOM 407 N TYR A 45 -0.827 3.653 -1.865 1.00 0.00 N ATOM 408 CA TYR A 45 -1.080 2.792 -0.701 1.00 0.00 C ATOM 409 C TYR A 45 -2.422 2.048 -0.818 1.00 0.00 C ATOM 410 O TYR A 45 -3.483 2.668 -0.911 1.00 0.00 O ATOM 411 CB TYR A 45 -1.010 3.613 0.602 1.00 0.00 C ATOM 412 CG TYR A 45 0.235 4.467 0.810 1.00 0.00 C ATOM 413 CD1 TYR A 45 1.524 3.912 0.692 1.00 0.00 C ATOM 414 CD2 TYR A 45 0.103 5.828 1.149 1.00 0.00 C ATOM 415 CE1 TYR A 45 2.668 4.712 0.876 1.00 0.00 C ATOM 416 CE2 TYR A 45 1.242 6.638 1.329 1.00 0.00 C ATOM 417 CZ TYR A 45 2.531 6.081 1.184 1.00 0.00 C ATOM 418 OH TYR A 45 3.641 6.851 1.349 1.00 0.00 O ATOM 0 H TYR A 45 -1.630 4.227 -2.123 1.00 0.00 H new ATOM 0 HA TYR A 45 -0.298 2.033 -0.674 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -1.881 4.268 0.638 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -1.094 2.924 1.443 1.00 0.00 H new ATOM 0 HD1 TYR A 45 1.636 2.864 0.458 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -0.881 6.255 1.272 1.00 0.00 H new ATOM 0 HE1 TYR A 45 3.652 4.276 0.781 1.00 0.00 H new ATOM 0 HE2 TYR A 45 1.129 7.683 1.577 1.00 0.00 H new ATOM 0 HH TYR A 45 3.373 7.771 1.556 1.00 0.00 H new ATOM 428 N TYR A 46 -2.383 0.711 -0.802 1.00 0.00 N ATOM 429 CA TYR A 46 -3.552 -0.164 -0.989 1.00 0.00 C ATOM 430 C TYR A 46 -3.877 -0.947 0.283 1.00 0.00 C ATOM 431 O TYR A 46 -3.030 -1.680 0.797 1.00 0.00 O ATOM 432 CB TYR A 46 -3.308 -1.147 -2.138 1.00 0.00 C ATOM 433 CG TYR A 46 -3.290 -0.510 -3.512 1.00 0.00 C ATOM 434 CD1 TYR A 46 -2.139 0.156 -3.976 1.00 0.00 C ATOM 435 CD2 TYR A 46 -4.443 -0.567 -4.318 1.00 0.00 C ATOM 436 CE1 TYR A 46 -2.147 0.789 -5.234 1.00 0.00 C ATOM 437 CE2 TYR A 46 -4.452 0.058 -5.578 1.00 0.00 C ATOM 438 CZ TYR A 46 -3.311 0.751 -6.028 1.00 0.00 C ATOM 439 OH TYR A 46 -3.358 1.423 -7.209 1.00 0.00 O ATOM 0 H TYR A 46 -1.517 0.192 -0.655 1.00 0.00 H new ATOM 0 HA TYR A 46 -4.400 0.477 -1.228 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -2.356 -1.652 -1.972 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -4.083 -1.913 -2.116 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -1.248 0.181 -3.366 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -5.321 -1.091 -3.969 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -1.265 1.301 -5.589 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -5.333 0.007 -6.200 1.00 0.00 H new ATOM 0 HH TYR A 46 -3.218 2.379 -7.047 1.00 0.00 H new ATOM 449 N CYS A 47 -5.104 -0.798 0.784 1.00 0.00 N ATOM 450 CA CYS A 47 -5.642 -1.603 1.887 1.00 0.00 C ATOM 451 C CYS A 47 -5.913 -3.046 1.430 1.00 0.00 C ATOM 452 O CYS A 47 -6.753 -3.288 0.561 1.00 0.00 O ATOM 453 CB CYS A 47 -6.897 -0.961 2.496 1.00 0.00 C ATOM 454 SG CYS A 47 -7.528 -1.914 3.910 1.00 0.00 S ATOM 0 H CYS A 47 -5.764 -0.105 0.431 1.00 0.00 H new ATOM 0 HA CYS A 47 -4.887 -1.637 2.672 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -6.666 0.055 2.817 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -7.673 -0.886 1.734 1.00 0.00 H new ATOM 459 N MET A 48 -5.190 -4.005 2.015 1.00 0.00 N ATOM 460 CA MET A 48 -5.299 -5.435 1.689 1.00 0.00 C ATOM 461 C MET A 48 -6.465 -6.149 2.398 1.00 0.00 C ATOM 462 O MET A 48 -6.854 -7.247 2.000 1.00 0.00 O ATOM 463 CB MET A 48 -3.982 -6.133 2.057 1.00 0.00 C ATOM 464 CG MET A 48 -2.770 -5.614 1.275 1.00 0.00 C ATOM 465 SD MET A 48 -2.941 -5.721 -0.527 1.00 0.00 S ATOM 466 CE MET A 48 -1.356 -6.490 -0.922 1.00 0.00 C ATOM 0 H MET A 48 -4.500 -3.809 2.741 1.00 0.00 H new ATOM 0 HA MET A 48 -5.502 -5.498 0.620 1.00 0.00 H new ATOM 0 HB2 MET A 48 -3.798 -6.003 3.123 1.00 0.00 H new ATOM 0 HB3 MET A 48 -4.086 -7.203 1.880 1.00 0.00 H new ATOM 0 HG2 MET A 48 -2.593 -4.574 1.550 1.00 0.00 H new ATOM 0 HG3 MET A 48 -1.888 -6.178 1.578 1.00 0.00 H new ATOM 0 HE1 MET A 48 -1.162 -6.395 -1.990 1.00 0.00 H new ATOM 0 HE2 MET A 48 -0.562 -5.994 -0.363 1.00 0.00 H new ATOM 0 HE3 MET A 48 -1.386 -7.545 -0.651 1.00 0.00 H new ATOM 476 N GLY A 49 -7.019 -5.541 3.453 1.00 0.00 N ATOM 477 CA GLY A 49 -8.040 -6.140 4.321 1.00 0.00 C ATOM 478 C GLY A 49 -8.245 -5.375 5.625 1.00 0.00 C ATOM 479 O GLY A 49 -9.374 -5.116 6.042 1.00 0.00 O ATOM 0 H GLY A 49 -6.763 -4.594 3.734 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -8.986 -6.185 3.781 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -7.755 -7.167 4.551 1.00 0.00 H new ATOM 483 N ASN A 50 -7.131 -5.007 6.256 1.00 0.00 N ATOM 484 CA ASN A 50 -7.053 -4.233 7.495 1.00 0.00 C ATOM 485 C ASN A 50 -5.961 -3.158 7.389 1.00 0.00 C ATOM 486 O ASN A 50 -6.268 -1.967 7.418 1.00 0.00 O ATOM 487 CB ASN A 50 -6.902 -5.188 8.706 1.00 0.00 C ATOM 488 CG ASN A 50 -5.973 -6.382 8.495 1.00 0.00 C ATOM 489 OD1 ASN A 50 -4.880 -6.279 7.959 1.00 0.00 O ATOM 490 ND2 ASN A 50 -6.379 -7.565 8.895 1.00 0.00 N ATOM 0 H ASN A 50 -6.209 -5.254 5.898 1.00 0.00 H new ATOM 0 HA ASN A 50 -7.981 -3.686 7.660 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -6.536 -4.612 9.556 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -7.890 -5.562 8.976 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -5.784 -8.382 8.757 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -7.289 -7.667 9.344 1.00 0.00 H new ATOM 497 N CYS A 51 -4.707 -3.578 7.222 1.00 0.00 N ATOM 498 CA CYS A 51 -3.568 -2.694 6.961 1.00 0.00 C ATOM 499 C CYS A 51 -3.496 -2.303 5.473 1.00 0.00 C ATOM 500 O CYS A 51 -4.131 -2.938 4.622 1.00 0.00 O ATOM 501 CB CYS A 51 -2.274 -3.403 7.399 1.00 0.00 C ATOM 502 SG CYS A 51 -1.023 -2.303 8.121 1.00 0.00 S ATOM 0 H CYS A 51 -4.448 -4.564 7.265 1.00 0.00 H new ATOM 0 HA CYS A 51 -3.693 -1.774 7.533 1.00 0.00 H new ATOM 0 HB2 CYS A 51 -2.525 -4.174 8.127 1.00 0.00 H new ATOM 0 HB3 CYS A 51 -1.841 -3.908 6.536 1.00 0.00 H new ATOM 507 N CYS A 52 -2.655 -1.319 5.140 1.00 0.00 N ATOM 508 CA CYS A 52 -2.310 -0.963 3.763 1.00 0.00 C ATOM 509 C CYS A 52 -0.800 -1.050 3.480 1.00 0.00 C ATOM 510 O CYS A 52 0.027 -0.730 4.338 1.00 0.00 O ATOM 511 CB CYS A 52 -2.909 0.404 3.383 1.00 0.00 C ATOM 512 SG CYS A 52 -2.931 1.727 4.620 1.00 0.00 S ATOM 0 H CYS A 52 -2.187 -0.737 5.835 1.00 0.00 H new ATOM 0 HA CYS A 52 -2.764 -1.711 3.113 1.00 0.00 H new ATOM 0 HB2 CYS A 52 -2.362 0.773 2.516 1.00 0.00 H new ATOM 0 HB3 CYS A 52 -3.937 0.235 3.063 1.00 0.00 H new ATOM 517 N LYS A 53 -0.453 -1.482 2.257 1.00 0.00 N ATOM 518 CA LYS A 53 0.924 -1.695 1.777 1.00 0.00 C ATOM 519 C LYS A 53 1.318 -0.660 0.717 1.00 0.00 C ATOM 520 O LYS A 53 0.484 -0.213 -0.074 1.00 0.00 O ATOM 521 CB LYS A 53 1.054 -3.127 1.217 1.00 0.00 C ATOM 522 CG LYS A 53 2.520 -3.517 0.943 1.00 0.00 C ATOM 523 CD LYS A 53 2.719 -5.013 0.655 1.00 0.00 C ATOM 524 CE LYS A 53 4.090 -5.301 0.018 1.00 0.00 C ATOM 525 NZ LYS A 53 5.231 -4.991 0.925 1.00 0.00 N ATOM 0 H LYS A 53 -1.151 -1.701 1.546 1.00 0.00 H new ATOM 0 HA LYS A 53 1.608 -1.570 2.617 1.00 0.00 H new ATOM 0 HB2 LYS A 53 0.619 -3.832 1.925 1.00 0.00 H new ATOM 0 HB3 LYS A 53 0.480 -3.207 0.294 1.00 0.00 H new ATOM 0 HG2 LYS A 53 2.887 -2.941 0.094 1.00 0.00 H new ATOM 0 HG3 LYS A 53 3.128 -3.238 1.804 1.00 0.00 H new ATOM 0 HD2 LYS A 53 2.625 -5.576 1.583 1.00 0.00 H new ATOM 0 HD3 LYS A 53 1.930 -5.362 -0.011 1.00 0.00 H new ATOM 0 HE2 LYS A 53 4.137 -6.351 -0.270 1.00 0.00 H new ATOM 0 HE3 LYS A 53 4.190 -4.715 -0.896 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 6.127 -5.205 0.442 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 5.207 -3.983 1.180 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 5.156 -5.568 1.787 1.00 0.00 H new ATOM 539 N VAL A 54 2.608 -0.326 0.681 1.00 0.00 N ATOM 540 CA VAL A 54 3.275 0.474 -0.357 1.00 0.00 C ATOM 541 C VAL A 54 3.374 -0.276 -1.697 1.00 0.00 C ATOM 542 O VAL A 54 3.861 -1.406 -1.752 1.00 0.00 O ATOM 543 CB VAL A 54 4.645 0.954 0.170 1.00 0.00 C ATOM 544 CG1 VAL A 54 5.691 -0.149 0.371 1.00 0.00 C ATOM 545 CG2 VAL A 54 5.250 2.017 -0.738 1.00 0.00 C ATOM 0 H VAL A 54 3.254 -0.620 1.413 1.00 0.00 H new ATOM 0 HA VAL A 54 2.668 1.353 -0.572 1.00 0.00 H new ATOM 0 HB VAL A 54 4.410 1.360 1.154 1.00 0.00 H new ATOM 0 HG11 VAL A 54 6.617 0.291 0.743 1.00 0.00 H new ATOM 0 HG12 VAL A 54 5.319 -0.876 1.093 1.00 0.00 H new ATOM 0 HG13 VAL A 54 5.882 -0.647 -0.580 1.00 0.00 H new ATOM 0 HG21 VAL A 54 6.213 2.332 -0.337 1.00 0.00 H new ATOM 0 HG22 VAL A 54 5.390 1.605 -1.737 1.00 0.00 H new ATOM 0 HG23 VAL A 54 4.580 2.875 -0.790 1.00 0.00 H new ATOM 555 N TYR A 55 2.915 0.355 -2.781 1.00 0.00 N ATOM 556 CA TYR A 55 3.007 -0.154 -4.158 1.00 0.00 C ATOM 557 C TYR A 55 3.443 0.956 -5.128 1.00 0.00 C ATOM 558 O TYR A 55 2.888 2.056 -5.130 1.00 0.00 O ATOM 559 CB TYR A 55 1.669 -0.782 -4.590 1.00 0.00 C ATOM 560 CG TYR A 55 1.493 -2.236 -4.178 1.00 0.00 C ATOM 561 CD1 TYR A 55 0.985 -2.573 -2.904 1.00 0.00 C ATOM 562 CD2 TYR A 55 1.851 -3.260 -5.079 1.00 0.00 C ATOM 563 CE1 TYR A 55 0.864 -3.926 -2.520 1.00 0.00 C ATOM 564 CE2 TYR A 55 1.705 -4.610 -4.709 1.00 0.00 C ATOM 565 CZ TYR A 55 1.233 -4.948 -3.424 1.00 0.00 C ATOM 566 OH TYR A 55 1.166 -6.261 -3.061 1.00 0.00 O ATOM 0 H TYR A 55 2.454 1.263 -2.726 1.00 0.00 H new ATOM 0 HA TYR A 55 3.770 -0.932 -4.187 1.00 0.00 H new ATOM 0 HB2 TYR A 55 0.853 -0.196 -4.166 1.00 0.00 H new ATOM 0 HB3 TYR A 55 1.582 -0.712 -5.674 1.00 0.00 H new ATOM 0 HD1 TYR A 55 0.688 -1.792 -2.220 1.00 0.00 H new ATOM 0 HD2 TYR A 55 2.238 -3.008 -6.055 1.00 0.00 H new ATOM 0 HE1 TYR A 55 0.491 -4.179 -1.539 1.00 0.00 H new ATOM 0 HE2 TYR A 55 1.956 -5.390 -5.412 1.00 0.00 H new ATOM 0 HH TYR A 55 1.319 -6.342 -2.096 1.00 0.00 H new ATOM 576 N GLU A 56 4.458 0.672 -5.947 1.00 0.00 N ATOM 577 CA GLU A 56 5.014 1.591 -6.951 1.00 0.00 C ATOM 578 C GLU A 56 4.002 1.905 -8.076 1.00 0.00 C ATOM 579 O GLU A 56 3.817 1.115 -9.008 1.00 0.00 O ATOM 580 CB GLU A 56 6.321 1.024 -7.539 1.00 0.00 C ATOM 581 CG GLU A 56 7.463 0.912 -6.517 1.00 0.00 C ATOM 582 CD GLU A 56 8.776 0.510 -7.221 1.00 0.00 C ATOM 583 OE1 GLU A 56 9.015 -0.704 -7.440 1.00 0.00 O ATOM 584 OE2 GLU A 56 9.572 1.409 -7.587 1.00 0.00 O ATOM 0 H GLU A 56 4.932 -0.231 -5.932 1.00 0.00 H new ATOM 0 HA GLU A 56 5.234 2.530 -6.444 1.00 0.00 H new ATOM 0 HB2 GLU A 56 6.122 0.037 -7.957 1.00 0.00 H new ATOM 0 HB3 GLU A 56 6.644 1.660 -8.363 1.00 0.00 H new ATOM 0 HG2 GLU A 56 7.595 1.864 -6.003 1.00 0.00 H new ATOM 0 HG3 GLU A 56 7.209 0.173 -5.757 1.00 0.00 H new ATOM 591 N GLY A 57 3.352 3.071 -7.999 1.00 0.00 N ATOM 592 CA GLY A 57 2.410 3.580 -9.004 1.00 0.00 C ATOM 593 C GLY A 57 0.963 3.092 -8.841 1.00 0.00 C ATOM 594 O GLY A 57 0.621 2.338 -7.925 1.00 0.00 O ATOM 0 H GLY A 57 3.470 3.707 -7.211 1.00 0.00 H new ATOM 0 HA2 GLY A 57 2.417 4.669 -8.968 1.00 0.00 H new ATOM 0 HA3 GLY A 57 2.766 3.292 -9.993 1.00 0.00 H new ATOM 598 N CYS A 58 0.087 3.548 -9.739 1.00 0.00 N ATOM 599 CA CYS A 58 -1.344 3.224 -9.760 1.00 0.00 C ATOM 600 C CYS A 58 -1.606 1.792 -10.280 1.00 0.00 C ATOM 601 O CYS A 58 -2.058 1.598 -11.412 1.00 0.00 O ATOM 602 CB CYS A 58 -2.095 4.286 -10.578 1.00 0.00 C ATOM 603 SG CYS A 58 -1.879 5.928 -9.825 1.00 0.00 S ATOM 0 H CYS A 58 0.361 4.173 -10.497 1.00 0.00 H new ATOM 0 HA CYS A 58 -1.723 3.241 -8.738 1.00 0.00 H new ATOM 0 HB2 CYS A 58 -1.723 4.296 -11.603 1.00 0.00 H new ATOM 0 HB3 CYS A 58 -3.155 4.036 -10.626 1.00 0.00 H new ATOM 0 HG CYS A 58 -2.517 6.815 -10.529 1.00 0.00 H new ATOM 609 N TYR A 59 -1.342 0.786 -9.438 1.00 0.00 N ATOM 610 CA TYR A 59 -1.570 -0.641 -9.699 1.00 0.00 C ATOM 611 C TYR A 59 -2.994 -0.943 -10.216 1.00 0.00 C ATOM 612 O TYR A 59 -3.153 -1.616 -11.238 1.00 0.00 O ATOM 613 CB TYR A 59 -1.254 -1.430 -8.417 1.00 0.00 C ATOM 614 CG TYR A 59 -1.237 -2.935 -8.603 1.00 0.00 C ATOM 615 CD1 TYR A 59 -2.431 -3.676 -8.486 1.00 0.00 C ATOM 616 CD2 TYR A 59 -0.029 -3.595 -8.901 1.00 0.00 C ATOM 617 CE1 TYR A 59 -2.420 -5.069 -8.685 1.00 0.00 C ATOM 618 CE2 TYR A 59 -0.012 -4.990 -9.091 1.00 0.00 C ATOM 619 CZ TYR A 59 -1.210 -5.732 -8.988 1.00 0.00 C ATOM 620 OH TYR A 59 -1.209 -7.080 -9.185 1.00 0.00 O ATOM 0 H TYR A 59 -0.945 0.952 -8.513 1.00 0.00 H new ATOM 0 HA TYR A 59 -0.903 -0.954 -10.503 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -0.283 -1.111 -8.037 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -1.993 -1.177 -7.657 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -3.356 -3.173 -8.243 1.00 0.00 H new ATOM 0 HD2 TYR A 59 0.887 -3.029 -8.984 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -3.338 -5.632 -8.606 1.00 0.00 H new ATOM 0 HE2 TYR A 59 0.917 -5.493 -9.316 1.00 0.00 H new ATOM 0 HH TYR A 59 -0.298 -7.381 -9.385 1.00 0.00 H new ATOM 630 N THR A 60 -4.028 -0.429 -9.533 1.00 0.00 N ATOM 631 CA THR A 60 -5.443 -0.519 -9.961 1.00 0.00 C ATOM 632 C THR A 60 -6.325 0.693 -9.576 1.00 0.00 C ATOM 633 O THR A 60 -7.515 0.708 -9.899 1.00 0.00 O ATOM 634 CB THR A 60 -6.053 -1.866 -9.511 1.00 0.00 C ATOM 635 OG1 THR A 60 -7.269 -2.140 -10.177 1.00 0.00 O ATOM 636 CG2 THR A 60 -6.297 -1.980 -8.006 1.00 0.00 C ATOM 0 H THR A 60 -3.908 0.071 -8.652 1.00 0.00 H new ATOM 0 HA THR A 60 -5.431 -0.483 -11.050 1.00 0.00 H new ATOM 0 HB THR A 60 -5.293 -2.599 -9.781 1.00 0.00 H new ATOM 0 HG1 THR A 60 -7.785 -1.312 -10.269 1.00 0.00 H new ATOM 0 HG21 THR A 60 -6.726 -2.956 -7.780 1.00 0.00 H new ATOM 0 HG22 THR A 60 -5.352 -1.867 -7.475 1.00 0.00 H new ATOM 0 HG23 THR A 60 -6.987 -1.198 -7.689 1.00 0.00 H new ATOM 644 N GLY A 61 -5.773 1.728 -8.925 1.00 0.00 N ATOM 645 CA GLY A 61 -6.462 3.001 -8.628 1.00 0.00 C ATOM 646 C GLY A 61 -6.777 3.259 -7.144 1.00 0.00 C ATOM 647 O GLY A 61 -7.807 3.861 -6.831 1.00 0.00 O ATOM 0 H GLY A 61 -4.813 1.706 -8.581 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -5.846 3.821 -8.998 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -7.396 3.026 -9.189 1.00 0.00 H new ATOM 651 N GLY A 62 -5.917 2.799 -6.229 1.00 0.00 N ATOM 652 CA GLY A 62 -6.056 2.939 -4.770 1.00 0.00 C ATOM 653 C GLY A 62 -5.675 4.322 -4.225 1.00 0.00 C ATOM 654 O GLY A 62 -5.414 5.260 -4.982 1.00 0.00 O ATOM 0 H GLY A 62 -5.069 2.298 -6.493 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -7.089 2.725 -4.494 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -5.434 2.187 -4.285 1.00 0.00 H new ATOM 658 N TYR A 63 -5.659 4.459 -2.897 1.00 0.00 N ATOM 659 CA TYR A 63 -5.450 5.728 -2.186 1.00 0.00 C ATOM 660 C TYR A 63 -4.053 6.347 -2.399 1.00 0.00 C ATOM 661 O TYR A 63 -3.045 5.647 -2.531 1.00 0.00 O ATOM 662 CB TYR A 63 -5.700 5.512 -0.684 1.00 0.00 C ATOM 663 CG TYR A 63 -7.052 4.909 -0.340 1.00 0.00 C ATOM 664 CD1 TYR A 63 -8.204 5.717 -0.345 1.00 0.00 C ATOM 665 CD2 TYR A 63 -7.158 3.538 -0.025 1.00 0.00 C ATOM 666 CE1 TYR A 63 -9.459 5.166 -0.021 1.00 0.00 C ATOM 667 CE2 TYR A 63 -8.412 2.981 0.295 1.00 0.00 C ATOM 668 CZ TYR A 63 -9.568 3.795 0.295 1.00 0.00 C ATOM 669 OH TYR A 63 -10.787 3.265 0.588 1.00 0.00 O ATOM 0 H TYR A 63 -5.795 3.669 -2.266 1.00 0.00 H new ATOM 0 HA TYR A 63 -6.160 6.441 -2.605 1.00 0.00 H new ATOM 0 HB2 TYR A 63 -4.918 4.863 -0.290 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -5.606 6.470 -0.173 1.00 0.00 H new ATOM 0 HD1 TYR A 63 -8.126 6.764 -0.598 1.00 0.00 H new ATOM 0 HD2 TYR A 63 -6.276 2.914 -0.029 1.00 0.00 H new ATOM 0 HE1 TYR A 63 -10.338 5.793 -0.014 1.00 0.00 H new ATOM 0 HE2 TYR A 63 -8.490 1.932 0.540 1.00 0.00 H new ATOM 0 HH TYR A 63 -10.690 2.309 0.782 1.00 0.00 H new ATOM 679 N SER A 64 -3.991 7.684 -2.369 1.00 0.00 N ATOM 680 CA SER A 64 -2.763 8.492 -2.518 1.00 0.00 C ATOM 681 C SER A 64 -2.200 9.011 -1.178 1.00 0.00 C ATOM 682 O SER A 64 -1.118 9.601 -1.134 1.00 0.00 O ATOM 683 CB SER A 64 -3.067 9.656 -3.476 1.00 0.00 C ATOM 684 OG SER A 64 -1.892 10.317 -3.919 1.00 0.00 O ATOM 0 H SER A 64 -4.823 8.259 -2.236 1.00 0.00 H new ATOM 0 HA SER A 64 -1.982 7.850 -2.925 1.00 0.00 H new ATOM 0 HB2 SER A 64 -3.615 9.278 -4.339 1.00 0.00 H new ATOM 0 HB3 SER A 64 -3.717 10.374 -2.976 1.00 0.00 H new ATOM 0 HG SER A 64 -1.249 10.370 -3.182 1.00 0.00 H new ATOM 690 N ARG A 65 -2.907 8.790 -0.057 1.00 0.00 N ATOM 691 CA ARG A 65 -2.485 9.167 1.306 1.00 0.00 C ATOM 692 C ARG A 65 -2.724 8.033 2.294 1.00 0.00 C ATOM 693 O ARG A 65 -3.755 7.361 2.252 1.00 0.00 O ATOM 694 CB ARG A 65 -3.215 10.448 1.764 1.00 0.00 C ATOM 695 CG ARG A 65 -2.806 11.714 0.992 1.00 0.00 C ATOM 696 CD ARG A 65 -1.340 12.094 1.253 1.00 0.00 C ATOM 697 NE ARG A 65 -0.949 13.307 0.511 1.00 0.00 N ATOM 698 CZ ARG A 65 -0.516 13.387 -0.736 1.00 0.00 C ATOM 699 NH1 ARG A 65 -0.408 12.347 -1.514 1.00 0.00 N ATOM 700 NH2 ARG A 65 -0.178 14.540 -1.238 1.00 0.00 N ATOM 0 H ARG A 65 -3.817 8.330 -0.073 1.00 0.00 H new ATOM 0 HA ARG A 65 -1.414 9.366 1.280 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -4.289 10.300 1.655 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -3.021 10.604 2.825 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -2.955 11.552 -0.076 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -3.453 12.542 1.282 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -1.191 12.257 2.320 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -0.693 11.266 0.964 1.00 0.00 H new ATOM 0 HE ARG A 65 -1.021 14.188 1.020 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -0.663 11.422 -1.167 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -0.069 12.458 -2.470 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -0.247 15.384 -0.669 1.00 0.00 H new ATOM 0 HH22 ARG A 65 0.156 14.599 -2.200 1.00 0.00 H new ATOM 714 N MET A 66 -1.769 7.835 3.203 1.00 0.00 N ATOM 715 CA MET A 66 -1.821 6.750 4.189 1.00 0.00 C ATOM 716 C MET A 66 -2.925 6.966 5.237 1.00 0.00 C ATOM 717 O MET A 66 -3.495 5.997 5.735 1.00 0.00 O ATOM 718 CB MET A 66 -0.433 6.552 4.810 1.00 0.00 C ATOM 719 CG MET A 66 -0.372 5.298 5.690 1.00 0.00 C ATOM 720 SD MET A 66 1.298 4.782 6.178 1.00 0.00 S ATOM 721 CE MET A 66 1.866 4.044 4.618 1.00 0.00 C ATOM 0 H MET A 66 -0.937 8.421 3.278 1.00 0.00 H new ATOM 0 HA MET A 66 -2.095 5.826 3.679 1.00 0.00 H new ATOM 0 HB2 MET A 66 0.311 6.475 4.017 1.00 0.00 H new ATOM 0 HB3 MET A 66 -0.174 7.427 5.407 1.00 0.00 H new ATOM 0 HG2 MET A 66 -0.958 5.476 6.591 1.00 0.00 H new ATOM 0 HG3 MET A 66 -0.849 4.475 5.157 1.00 0.00 H new ATOM 0 HE1 MET A 66 2.832 3.563 4.773 1.00 0.00 H new ATOM 0 HE2 MET A 66 1.141 3.303 4.281 1.00 0.00 H new ATOM 0 HE3 MET A 66 1.966 4.823 3.862 1.00 0.00 H new ATOM 731 N GLY A 67 -3.308 8.223 5.495 1.00 0.00 N ATOM 732 CA GLY A 67 -4.488 8.554 6.301 1.00 0.00 C ATOM 733 C GLY A 67 -5.779 7.972 5.720 1.00 0.00 C ATOM 734 O GLY A 67 -6.591 7.408 6.449 1.00 0.00 O ATOM 0 H GLY A 67 -2.806 9.041 5.149 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -4.348 8.178 7.315 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -4.582 9.638 6.373 1.00 0.00 H new ATOM 738 N GLU A 68 -5.958 8.056 4.399 1.00 0.00 N ATOM 739 CA GLU A 68 -7.114 7.489 3.694 1.00 0.00 C ATOM 740 C GLU A 68 -7.103 5.953 3.663 1.00 0.00 C ATOM 741 O GLU A 68 -8.131 5.343 3.969 1.00 0.00 O ATOM 742 CB GLU A 68 -7.230 8.064 2.272 1.00 0.00 C ATOM 743 CG GLU A 68 -7.545 9.568 2.236 1.00 0.00 C ATOM 744 CD GLU A 68 -8.848 9.930 2.977 1.00 0.00 C ATOM 745 OE1 GLU A 68 -9.880 9.241 2.786 1.00 0.00 O ATOM 746 OE2 GLU A 68 -8.835 10.896 3.779 1.00 0.00 O ATOM 0 H GLU A 68 -5.297 8.525 3.780 1.00 0.00 H new ATOM 0 HA GLU A 68 -7.996 7.783 4.263 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -6.296 7.885 1.740 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -8.011 7.526 1.735 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -6.716 10.118 2.681 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -7.622 9.893 1.198 1.00 0.00 H new ATOM 753 N CYS A 69 -5.973 5.306 3.349 1.00 0.00 N ATOM 754 CA CYS A 69 -5.913 3.834 3.335 1.00 0.00 C ATOM 755 C CYS A 69 -6.078 3.203 4.730 1.00 0.00 C ATOM 756 O CYS A 69 -6.474 2.042 4.834 1.00 0.00 O ATOM 757 CB CYS A 69 -4.656 3.340 2.610 1.00 0.00 C ATOM 758 SG CYS A 69 -3.064 3.411 3.478 1.00 0.00 S ATOM 0 H CYS A 69 -5.098 5.769 3.104 1.00 0.00 H new ATOM 0 HA CYS A 69 -6.777 3.491 2.766 1.00 0.00 H new ATOM 0 HB2 CYS A 69 -4.828 2.304 2.319 1.00 0.00 H new ATOM 0 HB3 CYS A 69 -4.557 3.917 1.690 1.00 0.00 H new ATOM 763 N ALA A 70 -5.836 3.977 5.792 1.00 0.00 N ATOM 764 CA ALA A 70 -6.165 3.649 7.172 1.00 0.00 C ATOM 765 C ALA A 70 -7.650 3.914 7.488 1.00 0.00 C ATOM 766 O ALA A 70 -8.388 2.964 7.742 1.00 0.00 O ATOM 767 CB ALA A 70 -5.220 4.435 8.088 1.00 0.00 C ATOM 0 H ALA A 70 -5.386 4.888 5.704 1.00 0.00 H new ATOM 0 HA ALA A 70 -6.023 2.582 7.342 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -5.448 4.205 9.129 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -4.189 4.156 7.872 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -5.351 5.503 7.915 1.00 0.00 H new ATOM 773 N ARG A 71 -8.118 5.177 7.476 1.00 0.00 N ATOM 774 CA ARG A 71 -9.446 5.583 7.986 1.00 0.00 C ATOM 775 C ARG A 71 -10.648 4.922 7.292 1.00 0.00 C ATOM 776 O ARG A 71 -11.696 4.758 7.915 1.00 0.00 O ATOM 777 CB ARG A 71 -9.543 7.121 7.963 1.00 0.00 C ATOM 778 CG ARG A 71 -9.942 7.696 6.590 1.00 0.00 C ATOM 779 CD ARG A 71 -9.479 9.131 6.314 1.00 0.00 C ATOM 780 NE ARG A 71 -9.583 10.029 7.473 1.00 0.00 N ATOM 781 CZ ARG A 71 -9.471 11.345 7.439 1.00 0.00 C ATOM 782 NH1 ARG A 71 -9.268 11.999 6.329 1.00 0.00 N ATOM 783 NH2 ARG A 71 -9.553 12.042 8.538 1.00 0.00 N ATOM 0 H ARG A 71 -7.576 5.958 7.106 1.00 0.00 H new ATOM 0 HA ARG A 71 -9.513 5.213 9.009 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -10.272 7.441 8.707 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -8.581 7.541 8.258 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -9.538 7.047 5.813 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -11.028 7.660 6.503 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -8.443 9.108 5.977 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -10.071 9.541 5.496 1.00 0.00 H new ATOM 0 HE ARG A 71 -9.757 9.599 8.382 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -9.190 11.494 5.446 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -9.187 13.016 6.344 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -9.704 11.571 9.430 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -9.466 13.058 8.505 1.00 0.00 H new ATOM 797 N ASN A 72 -10.501 4.533 6.021 1.00 0.00 N ATOM 798 CA ASN A 72 -11.527 3.825 5.241 1.00 0.00 C ATOM 799 C ASN A 72 -11.500 2.290 5.446 1.00 0.00 C ATOM 800 O ASN A 72 -12.360 1.584 4.914 1.00 0.00 O ATOM 801 CB ASN A 72 -11.375 4.207 3.756 1.00 0.00 C ATOM 802 CG ASN A 72 -11.633 5.686 3.489 1.00 0.00 C ATOM 803 OD1 ASN A 72 -12.756 6.167 3.539 1.00 0.00 O ATOM 804 ND2 ASN A 72 -10.599 6.443 3.202 1.00 0.00 N ATOM 0 H ASN A 72 -9.646 4.705 5.492 1.00 0.00 H new ATOM 0 HA ASN A 72 -12.506 4.140 5.603 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -10.368 3.954 3.423 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -12.067 3.611 3.161 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -10.730 7.438 3.019 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -9.665 6.036 3.162 1.00 0.00 H new ATOM 811 N CYS A 73 -10.545 1.768 6.227 1.00 0.00 N ATOM 812 CA CYS A 73 -10.350 0.349 6.551 1.00 0.00 C ATOM 813 C CYS A 73 -10.391 0.073 8.077 1.00 0.00 C ATOM 814 O CYS A 73 -10.349 1.010 8.881 1.00 0.00 O ATOM 815 CB CYS A 73 -9.042 -0.115 5.881 1.00 0.00 C ATOM 816 SG CYS A 73 -9.330 -1.090 4.376 1.00 0.00 S ATOM 0 H CYS A 73 -9.847 2.360 6.676 1.00 0.00 H new ATOM 0 HA CYS A 73 -11.180 -0.237 6.156 1.00 0.00 H new ATOM 0 HB2 CYS A 73 -8.437 0.757 5.633 1.00 0.00 H new ATOM 0 HB3 CYS A 73 -8.467 -0.711 6.590 1.00 0.00 H new ATOM 821 N PRO A 74 -10.507 -1.201 8.512 1.00 0.00 N ATOM 822 CA PRO A 74 -10.640 -1.559 9.931 1.00 0.00 C ATOM 823 C PRO A 74 -9.313 -1.587 10.720 1.00 0.00 C ATOM 824 O PRO A 74 -9.343 -1.734 11.946 1.00 0.00 O ATOM 825 CB PRO A 74 -11.311 -2.936 9.925 1.00 0.00 C ATOM 826 CG PRO A 74 -10.808 -3.569 8.632 1.00 0.00 C ATOM 827 CD PRO A 74 -10.721 -2.380 7.676 1.00 0.00 C ATOM 0 HA PRO A 74 -11.220 -0.796 10.450 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -11.028 -3.525 10.797 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -12.398 -2.853 9.936 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -9.839 -4.049 8.768 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -11.493 -4.333 8.264 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -9.903 -2.509 6.968 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -11.636 -2.282 7.092 1.00 0.00 H new ATOM 835 N GLY A 75 -8.160 -1.456 10.047 1.00 0.00 N ATOM 836 CA GLY A 75 -6.806 -1.470 10.638 1.00 0.00 C ATOM 837 C GLY A 75 -6.058 -0.137 10.532 1.00 0.00 C ATOM 838 O GLY A 75 -4.856 -0.165 10.187 1.00 0.00 O ATOM 839 OXT GLY A 75 -6.657 0.918 10.841 1.00 0.00 O ATOM 0 H GLY A 75 -8.141 -1.332 9.035 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -6.884 -1.747 11.689 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -6.216 -2.244 10.147 1.00 0.00 H new TER 843 GLY A 75