USER MOD reduce.3.24.130724 H: found=0, std=0, add=656, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 653 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 67 SER OG : rot -157:sc= -2.07! USER MOD Set 1.2: A 68 ASN : amide:sc= 0 X(o=-2.1,f=-2.1) USER MOD Set 2.1: A 59 THR OG1 : rot 180:sc= -0.761 USER MOD Set 2.2: A 62 SER OG : rot 114:sc= -0.599 USER MOD Set 3.1: A 21 SER OG : rot 63:sc= 0.0315 USER MOD Set 3.2: A 23 HIS : no HE2:sc= -9.15! C(o=-11!,f=-8.4!) USER MOD Set 3.3: A 55 SER OG : rot -79:sc= -1.77! USER MOD Set 4.1: A 5 CYS SG : rot -139:sc= 3.04! USER MOD Set 4.2: A 10 CYS SG : rot -104:sc= -2.39! USER MOD Set 4.3: A 12 ASN : amide:sc= -2.1 K(o=-6.7,f=-7.4) USER MOD Set 4.4: A 54 CYS SG : rot -124:sc= -3.71! USER MOD Set 4.5: A 57 HIS : no HD1:sc= -1.55 K(o=-6.7,f=-22!) USER MOD Single : A 3 GLN : amide:sc= -0.023 X(o=-0.023,f=0) USER MOD Single : A 4 SER OG : rot 61:sc= 0.79 USER MOD Single : A 6 SER OG : rot -150:sc= 0.0157 USER MOD Single : A 8 TYR OH : rot 180:sc= -0.204 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 176:sc= 1.29 (180deg=1.2) USER MOD Single : A 18 LYS NZ :NH3+ -143:sc= 0 (180deg=-0.12) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot -78:sc= 0.209 USER MOD Single : A 33 CYS SG : rot 16:sc= -3.52! 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= 0.158 K(o=0.16,f=-2.9!) USER MOD Single : A 46 LYS NZ :NH3+ 144:sc= -0.106 (180deg=-0.473) USER MOD Single : A 48 THR OG1 : rot -160:sc= -0.0528 USER MOD Single : A 49 LYS NZ :NH3+ -96:sc= 1.11 (180deg=-0.11) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot -120:sc= -0.013 USER MOD Single : A 52 SER OG : rot 180:sc= 0.00517 USER MOD Single : A 64 LYS NZ :NH3+ -132:sc= 0.588 (180deg=-0.975!) USER MOD Single : A 69 ASN : amide:sc= -2.05! C(o=-2.1!,f=-2.5!) USER MOD Single : A 70 LYS NZ :NH3+ -126:sc= 0.982 (180deg=-0.963) USER MOD Single : A 73 LYS NZ :NH3+ -164:sc= -5.48! (180deg=-7.53!) USER MOD Single : A 75 ASN : amide:sc= -1.08 K(o=-1.1,f=-0.091) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 36 N GLN A 3 -7.612 -4.349 -6.022 1.00 10.00 N ATOM 37 CA GLN A 3 -9.026 -4.007 -6.055 1.00 10.00 C ATOM 38 C GLN A 3 -9.214 -2.492 -6.072 1.00 10.00 C ATOM 39 O GLN A 3 -9.799 -1.954 -7.019 1.00 10.00 O ATOM 40 CB GLN A 3 -9.748 -4.659 -4.854 1.00 10.00 C ATOM 41 CG GLN A 3 -9.752 -6.185 -4.926 1.00 10.00 C ATOM 42 CD GLN A 3 -9.988 -6.881 -3.587 1.00 10.00 C ATOM 43 OE1 GLN A 3 -9.342 -7.886 -3.284 1.00 10.00 O ATOM 44 NE2 GLN A 3 -10.923 -6.386 -2.786 1.00 10.00 N ATOM 0 HA GLN A 3 -9.469 -4.397 -6.971 1.00 10.00 H new ATOM 0 HB2 GLN A 3 -9.264 -4.344 -3.930 1.00 10.00 H new ATOM 0 HB3 GLN A 3 -10.776 -4.299 -4.814 1.00 10.00 H new ATOM 0 HG2 GLN A 3 -10.525 -6.501 -5.627 1.00 10.00 H new ATOM 0 HG3 GLN A 3 -8.797 -6.520 -5.332 1.00 10.00 H new ATOM 0 HE21 GLN A 3 -11.442 -5.553 -3.062 1.00 10.00 H new ATOM 0 HE22 GLN A 3 -11.122 -6.839 -1.894 1.00 10.00 H new ATOM 53 N SER A 4 -8.697 -1.808 -5.051 1.00 10.00 N ATOM 54 CA SER A 4 -8.819 -0.362 -4.968 1.00 10.00 C ATOM 55 C SER A 4 -8.127 0.190 -3.721 1.00 10.00 C ATOM 56 O SER A 4 -7.726 -0.560 -2.827 1.00 10.00 O ATOM 57 CB SER A 4 -10.320 -0.032 -4.951 1.00 10.00 C ATOM 58 OG SER A 4 -10.609 1.235 -4.389 1.00 10.00 O ATOM 0 H SER A 4 -8.192 -2.235 -4.275 1.00 10.00 H new ATOM 0 HA SER A 4 -8.330 0.104 -5.823 1.00 10.00 H new ATOM 0 HB2 SER A 4 -10.704 -0.065 -5.971 1.00 10.00 H new ATOM 0 HB3 SER A 4 -10.848 -0.801 -4.387 1.00 10.00 H new ATOM 0 HG SER A 4 -10.171 1.935 -4.917 1.00 10.00 H new ATOM 64 N CYS A 5 -7.986 1.514 -3.702 1.00 10.00 N ATOM 65 CA CYS A 5 -7.284 2.213 -2.634 1.00 10.00 C ATOM 66 C CYS A 5 -8.233 2.277 -1.444 1.00 10.00 C ATOM 67 O CYS A 5 -9.454 2.164 -1.570 1.00 10.00 O ATOM 68 CB CYS A 5 -6.909 3.618 -3.129 1.00 10.00 C ATOM 69 SG CYS A 5 -7.002 3.788 -4.924 1.00 10.00 S ATOM 0 H CYS A 5 -8.356 2.129 -4.427 1.00 10.00 H new ATOM 0 HA CYS A 5 -6.366 1.704 -2.341 1.00 10.00 H new ATOM 0 HB2 CYS A 5 -7.573 4.348 -2.666 1.00 10.00 H new ATOM 0 HB3 CYS A 5 -5.897 3.854 -2.800 1.00 10.00 H new ATOM 0 HG CYS A 5 -5.990 4.486 -5.347 1.00 10.00 H new ATOM 74 N SER A 6 -7.604 2.507 -0.273 1.00 10.00 N ATOM 75 CA SER A 6 -8.280 2.622 1.003 1.00 10.00 C ATOM 76 C SER A 6 -9.128 3.889 1.122 1.00 10.00 C ATOM 77 O SER A 6 -9.637 4.181 2.196 1.00 10.00 O ATOM 78 CB SER A 6 -7.245 2.564 2.130 1.00 10.00 C ATOM 79 OG SER A 6 -6.223 1.624 1.830 1.00 10.00 O ATOM 0 H SER A 6 -6.592 2.618 -0.204 1.00 10.00 H new ATOM 0 HA SER A 6 -8.973 1.784 1.082 1.00 10.00 H new ATOM 0 HB2 SER A 6 -6.806 3.551 2.277 1.00 10.00 H new ATOM 0 HB3 SER A 6 -7.734 2.290 3.065 1.00 10.00 H new ATOM 0 HG SER A 6 -5.872 1.246 2.663 1.00 10.00 H new ATOM 85 N ALA A 7 -9.207 4.676 0.044 1.00 10.00 N ATOM 86 CA ALA A 7 -10.056 5.872 0.019 1.00 10.00 C ATOM 87 C ALA A 7 -11.528 5.491 0.280 1.00 10.00 C ATOM 88 O ALA A 7 -11.832 4.569 1.025 1.00 10.00 O ATOM 89 CB ALA A 7 -9.912 6.615 -1.311 1.00 10.00 C ATOM 0 H ALA A 7 -8.694 4.507 -0.821 1.00 10.00 H new ATOM 0 HA ALA A 7 -9.729 6.543 0.813 1.00 10.00 H new ATOM 0 HB1 ALA A 7 -10.551 7.498 -1.306 1.00 10.00 H new ATOM 0 HB2 ALA A 7 -8.874 6.919 -1.447 1.00 10.00 H new ATOM 0 HB3 ALA A 7 -10.208 5.958 -2.129 1.00 10.00 H new ATOM 95 N TYR A 8 -12.453 6.190 -0.329 1.00 10.00 N ATOM 96 CA TYR A 8 -13.855 5.866 -0.140 1.00 10.00 C ATOM 97 C TYR A 8 -14.539 5.899 -1.491 1.00 10.00 C ATOM 98 O TYR A 8 -15.364 6.762 -1.763 1.00 10.00 O ATOM 99 CB TYR A 8 -14.516 6.803 0.861 1.00 10.00 C ATOM 100 CG TYR A 8 -14.163 8.256 0.691 1.00 10.00 C ATOM 101 CD1 TYR A 8 -14.796 9.023 -0.271 1.00 10.00 C ATOM 102 CD2 TYR A 8 -13.221 8.863 1.504 1.00 10.00 C ATOM 103 CE1 TYR A 8 -14.500 10.357 -0.426 1.00 10.00 C ATOM 104 CE2 TYR A 8 -12.916 10.199 1.355 1.00 10.00 C ATOM 105 CZ TYR A 8 -13.559 10.942 0.388 1.00 10.00 C ATOM 106 OH TYR A 8 -13.262 12.272 0.235 1.00 10.00 O ATOM 0 H TYR A 8 -12.271 6.977 -0.952 1.00 10.00 H new ATOM 0 HA TYR A 8 -13.948 4.866 0.284 1.00 10.00 H new ATOM 0 HB2 TYR A 8 -15.598 6.694 0.780 1.00 10.00 H new ATOM 0 HB3 TYR A 8 -14.238 6.491 1.868 1.00 10.00 H new ATOM 0 HD1 TYR A 8 -15.536 8.566 -0.912 1.00 10.00 H new ATOM 0 HD2 TYR A 8 -12.719 8.283 2.264 1.00 10.00 H new ATOM 0 HE1 TYR A 8 -15.003 10.941 -1.182 1.00 10.00 H new ATOM 0 HE2 TYR A 8 -12.177 10.661 1.993 1.00 10.00 H new ATOM 0 HH TYR A 8 -12.578 12.532 0.887 1.00 10.00 H new ATOM 116 N GLY A 9 -14.219 4.956 -2.344 1.00 10.00 N ATOM 117 CA GLY A 9 -14.876 4.935 -3.627 1.00 10.00 C ATOM 118 C GLY A 9 -13.952 5.005 -4.824 1.00 10.00 C ATOM 119 O GLY A 9 -14.418 5.114 -5.956 1.00 10.00 O ATOM 0 H GLY A 9 -13.533 4.218 -2.183 1.00 10.00 H new ATOM 0 HA2 GLY A 9 -15.469 4.024 -3.699 1.00 10.00 H new ATOM 0 HA3 GLY A 9 -15.572 5.773 -3.675 1.00 10.00 H new ATOM 123 N CYS A 10 -12.644 4.945 -4.598 1.00 10.00 N ATOM 124 CA CYS A 10 -11.670 5.053 -5.677 1.00 10.00 C ATOM 125 C CYS A 10 -11.281 3.716 -6.271 1.00 10.00 C ATOM 126 O CYS A 10 -10.191 3.203 -6.002 1.00 10.00 O ATOM 127 CB CYS A 10 -10.426 5.786 -5.184 1.00 10.00 C ATOM 128 SG CYS A 10 -9.137 5.966 -6.432 1.00 10.00 S ATOM 0 H CYS A 10 -12.233 4.822 -3.673 1.00 10.00 H new ATOM 0 HA CYS A 10 -12.150 5.620 -6.475 1.00 10.00 H new ATOM 0 HB2 CYS A 10 -10.716 6.776 -4.831 1.00 10.00 H new ATOM 0 HB3 CYS A 10 -10.016 5.250 -4.328 1.00 10.00 H new ATOM 0 HG CYS A 10 -8.179 5.121 -6.191 1.00 10.00 H new ATOM 133 N LYS A 11 -12.177 3.122 -7.039 1.00 10.00 N ATOM 134 CA LYS A 11 -11.859 1.871 -7.705 1.00 10.00 C ATOM 135 C LYS A 11 -10.904 2.189 -8.854 1.00 10.00 C ATOM 136 O LYS A 11 -11.271 2.030 -10.016 1.00 10.00 O ATOM 137 CB LYS A 11 -13.119 1.181 -8.224 1.00 10.00 C ATOM 138 CG LYS A 11 -14.169 0.926 -7.150 1.00 10.00 C ATOM 139 CD LYS A 11 -14.275 -0.551 -6.800 1.00 10.00 C ATOM 140 CE LYS A 11 -14.822 -1.375 -7.957 1.00 10.00 C ATOM 141 NZ LYS A 11 -15.150 -2.760 -7.533 1.00 10.00 N ATOM 0 H LYS A 11 -13.116 3.478 -7.216 1.00 10.00 H new ATOM 0 HA LYS A 11 -11.393 1.183 -7.000 1.00 10.00 H new ATOM 0 HB2 LYS A 11 -13.559 1.794 -9.011 1.00 10.00 H new ATOM 0 HB3 LYS A 11 -12.840 0.230 -8.679 1.00 10.00 H new ATOM 0 HG2 LYS A 11 -13.918 1.494 -6.254 1.00 10.00 H new ATOM 0 HG3 LYS A 11 -15.137 1.288 -7.496 1.00 10.00 H new ATOM 0 HD2 LYS A 11 -13.292 -0.928 -6.520 1.00 10.00 H new ATOM 0 HD3 LYS A 11 -14.922 -0.672 -5.931 1.00 10.00 H new ATOM 0 HE2 LYS A 11 -15.715 -0.895 -8.356 1.00 10.00 H new ATOM 0 HE3 LYS A 11 -14.088 -1.404 -8.763 1.00 10.00 H new ATOM 0 HZ1 LYS A 11 -15.520 -3.293 -8.346 1.00 10.00 H new ATOM 0 HZ2 LYS A 11 -14.292 -3.226 -7.175 1.00 10.00 H new ATOM 0 HZ3 LYS A 11 -15.868 -2.732 -6.781 1.00 10.00 H new ATOM 155 N ASN A 12 -9.693 2.648 -8.561 1.00 10.00 N ATOM 156 CA ASN A 12 -8.738 2.992 -9.620 1.00 10.00 C ATOM 157 C ASN A 12 -7.873 1.806 -10.008 1.00 10.00 C ATOM 158 O ASN A 12 -6.677 1.984 -10.250 1.00 10.00 O ATOM 159 CB ASN A 12 -7.827 4.138 -9.206 1.00 10.00 C ATOM 160 CG ASN A 12 -8.382 5.501 -9.582 1.00 10.00 C ATOM 161 OD1 ASN A 12 -7.627 6.433 -9.819 1.00 10.00 O ATOM 162 ND2 ASN A 12 -9.700 5.626 -9.640 1.00 10.00 N ATOM 0 H ASN A 12 -9.347 2.791 -7.612 1.00 10.00 H new ATOM 0 HA ASN A 12 -9.339 3.297 -10.477 1.00 10.00 H new ATOM 0 HB2 ASN A 12 -7.671 4.100 -8.128 1.00 10.00 H new ATOM 0 HB3 ASN A 12 -6.851 4.007 -9.674 1.00 10.00 H new ATOM 0 HD21 ASN A 12 -10.117 6.523 -9.889 1.00 10.00 H new ATOM 0 HD22 ASN A 12 -10.298 4.825 -9.435 1.00 10.00 H new ATOM 169 N ARG A 13 -8.472 0.623 -9.968 1.00 10.00 N ATOM 170 CA ARG A 13 -7.817 -0.660 -10.328 1.00 10.00 C ATOM 171 C ARG A 13 -6.639 -0.465 -11.297 1.00 10.00 C ATOM 172 O ARG A 13 -6.765 0.278 -12.266 1.00 10.00 O ATOM 173 CB ARG A 13 -8.847 -1.586 -10.971 1.00 10.00 C ATOM 174 CG ARG A 13 -8.883 -2.990 -10.387 1.00 10.00 C ATOM 175 CD ARG A 13 -7.565 -3.720 -10.597 1.00 10.00 C ATOM 176 NE ARG A 13 -7.604 -5.078 -10.066 1.00 10.00 N ATOM 177 CZ ARG A 13 -7.130 -6.145 -10.707 1.00 10.00 C ATOM 178 NH1 ARG A 13 -6.654 -6.037 -11.943 1.00 10.00 N ATOM 179 NH2 ARG A 13 -7.162 -7.325 -10.112 1.00 10.00 N ATOM 0 H ARG A 13 -9.444 0.510 -9.681 1.00 10.00 H new ATOM 0 HA ARG A 13 -7.421 -1.096 -9.411 1.00 10.00 H new ATOM 0 HB2 ARG A 13 -9.835 -1.137 -10.868 1.00 10.00 H new ATOM 0 HB3 ARG A 13 -8.639 -1.655 -12.039 1.00 10.00 H new ATOM 0 HG2 ARG A 13 -9.103 -2.935 -9.321 1.00 10.00 H new ATOM 0 HG3 ARG A 13 -9.691 -3.556 -10.850 1.00 10.00 H new ATOM 0 HD2 ARG A 13 -7.334 -3.753 -11.662 1.00 10.00 H new ATOM 0 HD3 ARG A 13 -6.761 -3.164 -10.114 1.00 10.00 H new ATOM 0 HE ARG A 13 -8.021 -5.219 -9.146 1.00 10.00 H new ATOM 0 HH11 ARG A 13 -6.649 -5.130 -12.410 1.00 10.00 H new ATOM 0 HH12 ARG A 13 -6.293 -6.861 -12.424 1.00 10.00 H new ATOM 0 HH21 ARG A 13 -7.547 -7.412 -9.171 1.00 10.00 H new ATOM 0 HH22 ARG A 13 -6.802 -8.149 -10.594 1.00 10.00 H new ATOM 193 N TYR A 14 -5.513 -1.153 -11.030 1.00 10.00 N ATOM 194 CA TYR A 14 -4.290 -1.036 -11.852 1.00 10.00 C ATOM 195 C TYR A 14 -4.635 -0.965 -13.323 1.00 10.00 C ATOM 196 O TYR A 14 -5.120 -1.927 -13.923 1.00 10.00 O ATOM 197 CB TYR A 14 -3.326 -2.200 -11.604 1.00 10.00 C ATOM 198 CG TYR A 14 -1.874 -1.780 -11.402 1.00 10.00 C ATOM 199 CD1 TYR A 14 -1.202 -0.994 -12.342 1.00 10.00 C ATOM 200 CD2 TYR A 14 -1.175 -2.168 -10.265 1.00 10.00 C ATOM 201 CE1 TYR A 14 0.116 -0.614 -12.147 1.00 10.00 C ATOM 202 CE2 TYR A 14 0.140 -1.788 -10.065 1.00 10.00 C ATOM 203 CZ TYR A 14 0.780 -1.013 -11.006 1.00 10.00 C ATOM 204 OH TYR A 14 2.090 -0.636 -10.808 1.00 10.00 O ATOM 0 H TYR A 14 -5.423 -1.800 -10.247 1.00 10.00 H new ATOM 0 HA TYR A 14 -3.793 -0.112 -11.555 1.00 10.00 H new ATOM 0 HB2 TYR A 14 -3.659 -2.751 -10.724 1.00 10.00 H new ATOM 0 HB3 TYR A 14 -3.379 -2.887 -12.449 1.00 10.00 H new ATOM 0 HD1 TYR A 14 -1.719 -0.677 -13.236 1.00 10.00 H new ATOM 0 HD2 TYR A 14 -1.668 -2.778 -9.523 1.00 10.00 H new ATOM 0 HE1 TYR A 14 0.621 -0.008 -12.885 1.00 10.00 H new ATOM 0 HE2 TYR A 14 0.663 -2.099 -9.173 1.00 10.00 H new ATOM 0 HH TYR A 14 2.410 -0.999 -9.956 1.00 10.00 H new ATOM 214 N ASP A 15 -4.382 0.192 -13.881 1.00 10.00 N ATOM 215 CA ASP A 15 -4.598 0.439 -15.281 1.00 10.00 C ATOM 216 C ASP A 15 -3.371 1.134 -15.806 1.00 10.00 C ATOM 217 O ASP A 15 -3.130 2.298 -15.511 1.00 10.00 O ATOM 218 CB ASP A 15 -5.846 1.300 -15.497 1.00 10.00 C ATOM 219 CG ASP A 15 -6.488 1.064 -16.849 1.00 10.00 C ATOM 220 OD1 ASP A 15 -6.150 0.051 -17.506 1.00 10.00 O ATOM 221 OD2 ASP A 15 -7.346 1.880 -17.253 1.00 10.00 O ATOM 0 H ASP A 15 -4.017 0.996 -13.370 1.00 10.00 H new ATOM 0 HA ASP A 15 -4.764 -0.498 -15.813 1.00 10.00 H new ATOM 0 HB2 ASP A 15 -6.571 1.086 -14.712 1.00 10.00 H new ATOM 0 HB3 ASP A 15 -5.578 2.352 -15.405 1.00 10.00 H new ATOM 226 N LYS A 16 -2.576 0.394 -16.559 1.00 10.00 N ATOM 227 CA LYS A 16 -1.347 0.907 -17.152 1.00 10.00 C ATOM 228 C LYS A 16 -1.635 2.096 -18.067 1.00 10.00 C ATOM 229 O LYS A 16 -0.745 2.862 -18.436 1.00 10.00 O ATOM 230 CB LYS A 16 -0.706 -0.218 -17.953 1.00 10.00 C ATOM 231 CG LYS A 16 -1.136 -0.225 -19.416 1.00 10.00 C ATOM 232 CD LYS A 16 -1.540 -1.609 -19.889 1.00 10.00 C ATOM 233 CE LYS A 16 -2.111 -1.567 -21.300 1.00 10.00 C ATOM 234 NZ LYS A 16 -3.595 -1.431 -21.303 1.00 10.00 N ATOM 0 H LYS A 16 -2.763 -0.584 -16.779 1.00 10.00 H new ATOM 0 HA LYS A 16 -0.677 1.250 -16.364 1.00 10.00 H new ATOM 0 HB2 LYS A 16 0.379 -0.123 -17.899 1.00 10.00 H new ATOM 0 HB3 LYS A 16 -0.966 -1.174 -17.499 1.00 10.00 H new ATOM 0 HG2 LYS A 16 -1.972 0.461 -19.550 1.00 10.00 H new ATOM 0 HG3 LYS A 16 -0.318 0.144 -20.035 1.00 10.00 H new ATOM 0 HD2 LYS A 16 -0.674 -2.271 -19.864 1.00 10.00 H new ATOM 0 HD3 LYS A 16 -2.281 -2.027 -19.207 1.00 10.00 H new ATOM 0 HE2 LYS A 16 -1.670 -0.731 -21.844 1.00 10.00 H new ATOM 0 HE3 LYS A 16 -1.830 -2.477 -21.831 1.00 10.00 H new ATOM 0 HZ1 LYS A 16 -3.933 -1.339 -22.282 1.00 10.00 H new ATOM 0 HZ2 LYS A 16 -4.022 -2.274 -20.867 1.00 10.00 H new ATOM 0 HZ3 LYS A 16 -3.867 -0.586 -20.761 1.00 10.00 H new ATOM 248 N ASP A 17 -2.903 2.234 -18.404 1.00 10.00 N ATOM 249 CA ASP A 17 -3.364 3.309 -19.258 1.00 10.00 C ATOM 250 C ASP A 17 -3.432 4.597 -18.454 1.00 10.00 C ATOM 251 O ASP A 17 -3.361 5.697 -18.994 1.00 10.00 O ATOM 252 CB ASP A 17 -4.737 2.991 -19.825 1.00 10.00 C ATOM 253 CG ASP A 17 -4.691 1.938 -20.914 1.00 10.00 C ATOM 254 OD1 ASP A 17 -4.371 2.281 -22.075 1.00 10.00 O ATOM 255 OD2 ASP A 17 -4.967 0.757 -20.617 1.00 10.00 O ATOM 0 H ASP A 17 -3.642 1.603 -18.093 1.00 10.00 H new ATOM 0 HA ASP A 17 -2.664 3.425 -20.086 1.00 10.00 H new ATOM 0 HB2 ASP A 17 -5.387 2.647 -19.020 1.00 10.00 H new ATOM 0 HB3 ASP A 17 -5.180 3.903 -20.225 1.00 10.00 H new ATOM 260 N LYS A 18 -3.570 4.440 -17.146 1.00 10.00 N ATOM 261 CA LYS A 18 -3.636 5.561 -16.219 1.00 10.00 C ATOM 262 C LYS A 18 -2.270 5.685 -15.551 1.00 10.00 C ATOM 263 O LYS A 18 -1.572 4.681 -15.415 1.00 10.00 O ATOM 264 CB LYS A 18 -4.746 5.344 -15.173 1.00 10.00 C ATOM 265 CG LYS A 18 -4.297 4.622 -13.906 1.00 10.00 C ATOM 266 CD LYS A 18 -5.484 4.206 -13.037 1.00 10.00 C ATOM 267 CE LYS A 18 -6.292 5.407 -12.561 1.00 10.00 C ATOM 268 NZ LYS A 18 -7.481 5.661 -13.423 1.00 10.00 N ATOM 0 H LYS A 18 -3.640 3.528 -16.695 1.00 10.00 H new ATOM 0 HA LYS A 18 -3.880 6.480 -16.751 1.00 10.00 H new ATOM 0 HB2 LYS A 18 -5.159 6.314 -14.895 1.00 10.00 H new ATOM 0 HB3 LYS A 18 -5.553 4.774 -15.633 1.00 10.00 H new ATOM 0 HG2 LYS A 18 -3.718 3.739 -14.177 1.00 10.00 H new ATOM 0 HG3 LYS A 18 -3.637 5.272 -13.332 1.00 10.00 H new ATOM 0 HD2 LYS A 18 -6.131 3.536 -13.603 1.00 10.00 H new ATOM 0 HD3 LYS A 18 -5.123 3.647 -12.174 1.00 10.00 H new ATOM 0 HE2 LYS A 18 -6.618 5.240 -11.534 1.00 10.00 H new ATOM 0 HE3 LYS A 18 -5.655 6.292 -12.553 1.00 10.00 H new ATOM 0 HZ1 LYS A 18 -7.628 6.686 -13.519 1.00 10.00 H new ATOM 0 HZ2 LYS A 18 -7.324 5.245 -14.363 1.00 10.00 H new ATOM 0 HZ3 LYS A 18 -8.322 5.230 -12.990 1.00 10.00 H new ATOM 282 N PRO A 19 -1.838 6.889 -15.144 1.00 10.00 N ATOM 283 CA PRO A 19 -0.521 7.054 -14.537 1.00 10.00 C ATOM 284 C PRO A 19 -0.466 6.922 -13.015 1.00 10.00 C ATOM 285 O PRO A 19 -0.321 7.917 -12.305 1.00 10.00 O ATOM 286 CB PRO A 19 -0.178 8.476 -14.954 1.00 10.00 C ATOM 287 CG PRO A 19 -1.484 9.195 -14.923 1.00 10.00 C ATOM 288 CD PRO A 19 -2.544 8.178 -15.288 1.00 10.00 C ATOM 0 HA PRO A 19 0.162 6.270 -14.863 1.00 10.00 H new ATOM 0 HB2 PRO A 19 0.541 8.928 -14.271 1.00 10.00 H new ATOM 0 HB3 PRO A 19 0.267 8.502 -15.949 1.00 10.00 H new ATOM 0 HG2 PRO A 19 -1.673 9.614 -13.935 1.00 10.00 H new ATOM 0 HG3 PRO A 19 -1.486 10.027 -15.627 1.00 10.00 H new ATOM 0 HD2 PRO A 19 -3.407 8.241 -14.625 1.00 10.00 H new ATOM 0 HD3 PRO A 19 -2.911 8.325 -16.304 1.00 10.00 H new ATOM 296 N VAL A 20 -0.576 5.701 -12.500 1.00 10.00 N ATOM 297 CA VAL A 20 -0.463 5.491 -11.063 1.00 10.00 C ATOM 298 C VAL A 20 0.195 4.135 -10.722 1.00 10.00 C ATOM 299 O VAL A 20 0.091 3.166 -11.477 1.00 10.00 O ATOM 300 CB VAL A 20 -1.828 5.610 -10.280 1.00 10.00 C ATOM 301 CG1 VAL A 20 -2.823 6.588 -10.904 1.00 10.00 C ATOM 302 CG2 VAL A 20 -2.491 4.262 -10.111 1.00 10.00 C ATOM 0 H VAL A 20 -0.741 4.856 -13.047 1.00 10.00 H new ATOM 0 HA VAL A 20 0.178 6.307 -10.729 1.00 10.00 H new ATOM 0 HB VAL A 20 -1.552 6.012 -9.305 1.00 10.00 H new ATOM 0 HG11 VAL A 20 -3.734 6.611 -10.306 1.00 10.00 H new ATOM 0 HG12 VAL A 20 -2.383 7.585 -10.934 1.00 10.00 H new ATOM 0 HG13 VAL A 20 -3.062 6.266 -11.918 1.00 10.00 H new ATOM 0 HG21 VAL A 20 -3.428 4.383 -9.568 1.00 10.00 H new ATOM 0 HG22 VAL A 20 -2.693 3.831 -11.091 1.00 10.00 H new ATOM 0 HG23 VAL A 20 -1.830 3.599 -9.552 1.00 10.00 H new ATOM 312 N SER A 21 0.903 4.107 -9.588 1.00 10.00 N ATOM 313 CA SER A 21 1.553 2.904 -9.068 1.00 10.00 C ATOM 314 C SER A 21 0.825 2.484 -7.782 1.00 10.00 C ATOM 315 O SER A 21 0.016 3.268 -7.260 1.00 10.00 O ATOM 316 CB SER A 21 3.029 3.199 -8.815 1.00 10.00 C ATOM 317 OG SER A 21 3.198 4.517 -8.307 1.00 10.00 O ATOM 0 H SER A 21 1.041 4.929 -9.000 1.00 10.00 H new ATOM 0 HA SER A 21 1.499 2.084 -9.784 1.00 10.00 H new ATOM 0 HB2 SER A 21 3.433 2.476 -8.106 1.00 10.00 H new ATOM 0 HB3 SER A 21 3.592 3.086 -9.742 1.00 10.00 H new ATOM 0 HG SER A 21 2.749 4.593 -7.439 1.00 10.00 H new ATOM 323 N PHE A 22 1.096 1.294 -7.240 1.00 10.00 N ATOM 324 CA PHE A 22 0.344 0.857 -6.066 1.00 10.00 C ATOM 325 C PHE A 22 1.114 0.709 -4.745 1.00 10.00 C ATOM 326 O PHE A 22 1.824 -0.268 -4.554 1.00 10.00 O ATOM 327 CB PHE A 22 -0.407 -0.434 -6.372 1.00 10.00 C ATOM 328 CG PHE A 22 -1.888 -0.234 -6.595 1.00 10.00 C ATOM 329 CD1 PHE A 22 -2.694 0.302 -5.602 1.00 10.00 C ATOM 330 CD2 PHE A 22 -2.474 -0.593 -7.799 1.00 10.00 C ATOM 331 CE1 PHE A 22 -4.052 0.472 -5.807 1.00 10.00 C ATOM 332 CE2 PHE A 22 -3.829 -0.424 -8.011 1.00 10.00 C ATOM 333 CZ PHE A 22 -4.620 0.110 -7.012 1.00 10.00 C ATOM 0 H PHE A 22 1.801 0.640 -7.579 1.00 10.00 H new ATOM 0 HA PHE A 22 -0.333 1.690 -5.879 1.00 10.00 H new ATOM 0 HB2 PHE A 22 0.027 -0.895 -7.259 1.00 10.00 H new ATOM 0 HB3 PHE A 22 -0.263 -1.132 -5.547 1.00 10.00 H new ATOM 0 HD1 PHE A 22 -2.257 0.590 -4.657 1.00 10.00 H new ATOM 0 HD2 PHE A 22 -1.862 -1.012 -8.584 1.00 10.00 H new ATOM 0 HE1 PHE A 22 -4.668 0.888 -5.024 1.00 10.00 H new ATOM 0 HE2 PHE A 22 -4.269 -0.709 -8.955 1.00 10.00 H new ATOM 0 HZ PHE A 22 -5.679 0.244 -7.173 1.00 10.00 H new ATOM 343 N HIS A 23 0.969 1.639 -3.829 1.00 10.00 N ATOM 344 CA HIS A 23 1.815 1.657 -2.621 1.00 10.00 C ATOM 345 C HIS A 23 1.110 1.262 -1.358 1.00 10.00 C ATOM 346 O HIS A 23 -0.080 1.366 -1.259 1.00 10.00 O ATOM 347 CB HIS A 23 2.305 3.071 -2.378 1.00 10.00 C ATOM 348 CG HIS A 23 1.959 4.013 -3.456 1.00 10.00 C ATOM 349 ND1 HIS A 23 0.701 4.507 -3.569 1.00 10.00 N ATOM 350 CD2 HIS A 23 2.652 4.474 -4.515 1.00 10.00 C ATOM 351 CE1 HIS A 23 0.604 5.214 -4.646 1.00 10.00 C ATOM 352 NE2 HIS A 23 1.778 5.226 -5.260 1.00 10.00 N ATOM 0 H HIS A 23 0.285 2.393 -3.881 1.00 10.00 H new ATOM 0 HA HIS A 23 2.607 0.935 -2.823 1.00 10.00 H new ATOM 0 HB2 HIS A 23 1.884 3.435 -1.441 1.00 10.00 H new ATOM 0 HB3 HIS A 23 3.388 3.054 -2.256 1.00 10.00 H new ATOM 0 HD1 HIS A 23 -0.055 4.345 -2.904 1.00 10.00 H new ATOM 0 HD2 HIS A 23 3.693 4.288 -4.735 1.00 10.00 H new ATOM 0 HE1 HIS A 23 -0.289 5.714 -4.990 1.00 10.00 H new ATOM 361 N LYS A 24 1.872 0.856 -0.365 1.00 10.00 N ATOM 362 CA LYS A 24 1.240 0.508 0.883 1.00 10.00 C ATOM 363 C LYS A 24 1.245 1.694 1.860 1.00 10.00 C ATOM 364 O LYS A 24 1.947 2.678 1.607 1.00 10.00 O ATOM 365 CB LYS A 24 1.920 -0.702 1.531 1.00 10.00 C ATOM 366 CG LYS A 24 1.949 -1.949 0.658 1.00 10.00 C ATOM 367 CD LYS A 24 1.717 -3.219 1.474 1.00 10.00 C ATOM 368 CE LYS A 24 2.548 -3.250 2.763 1.00 10.00 C ATOM 369 NZ LYS A 24 3.969 -3.630 2.516 1.00 10.00 N ATOM 0 H LYS A 24 2.887 0.762 -0.394 1.00 10.00 H new ATOM 0 HA LYS A 24 0.206 0.247 0.658 1.00 10.00 H new ATOM 0 HB2 LYS A 24 2.943 -0.432 1.792 1.00 10.00 H new ATOM 0 HB3 LYS A 24 1.405 -0.937 2.462 1.00 10.00 H new ATOM 0 HG2 LYS A 24 1.185 -1.869 -0.115 1.00 10.00 H new ATOM 0 HG3 LYS A 24 2.911 -2.014 0.150 1.00 10.00 H new ATOM 0 HD2 LYS A 24 0.659 -3.297 1.726 1.00 10.00 H new ATOM 0 HD3 LYS A 24 1.965 -4.088 0.865 1.00 10.00 H new ATOM 0 HE2 LYS A 24 2.514 -2.269 3.237 1.00 10.00 H new ATOM 0 HE3 LYS A 24 2.102 -3.957 3.462 1.00 10.00 H new ATOM 0 HZ1 LYS A 24 4.488 -3.637 3.417 1.00 10.00 H new ATOM 0 HZ2 LYS A 24 4.006 -4.577 2.088 1.00 10.00 H new ATOM 0 HZ3 LYS A 24 4.405 -2.941 1.870 1.00 10.00 H new ATOM 383 N PHE A 25 0.460 1.646 2.927 1.00 10.00 N ATOM 384 CA PHE A 25 0.433 2.747 3.899 1.00 10.00 C ATOM 385 C PHE A 25 1.823 3.000 4.490 1.00 10.00 C ATOM 386 O PHE A 25 2.673 2.109 4.494 1.00 10.00 O ATOM 387 CB PHE A 25 -0.480 2.399 5.062 1.00 10.00 C ATOM 388 CG PHE A 25 -1.858 3.005 5.043 1.00 10.00 C ATOM 389 CD1 PHE A 25 -2.774 2.650 4.082 1.00 10.00 C ATOM 390 CD2 PHE A 25 -2.242 3.890 6.029 1.00 10.00 C ATOM 391 CE1 PHE A 25 -4.051 3.178 4.090 1.00 10.00 C ATOM 392 CE2 PHE A 25 -3.513 4.417 6.055 1.00 10.00 C ATOM 393 CZ PHE A 25 -4.422 4.064 5.079 1.00 10.00 C ATOM 0 H PHE A 25 -0.163 0.869 3.147 1.00 10.00 H new ATOM 0 HA PHE A 25 0.080 3.630 3.367 1.00 10.00 H new ATOM 0 HB2 PHE A 25 -0.585 1.315 5.100 1.00 10.00 H new ATOM 0 HB3 PHE A 25 0.013 2.704 5.985 1.00 10.00 H new ATOM 0 HD1 PHE A 25 -2.492 1.949 3.310 1.00 10.00 H new ATOM 0 HD2 PHE A 25 -1.534 4.174 6.793 1.00 10.00 H new ATOM 0 HE1 PHE A 25 -4.757 2.897 3.323 1.00 10.00 H new ATOM 0 HE2 PHE A 25 -3.798 5.105 6.837 1.00 10.00 H new ATOM 0 HZ PHE A 25 -5.419 4.479 5.090 1.00 10.00 H new ATOM 403 N PRO A 26 2.067 4.215 5.024 1.00 10.00 N ATOM 404 CA PRO A 26 3.335 4.557 5.682 1.00 10.00 C ATOM 405 C PRO A 26 3.346 3.875 7.037 1.00 10.00 C ATOM 406 O PRO A 26 3.014 4.437 8.084 1.00 10.00 O ATOM 407 CB PRO A 26 3.213 6.071 5.869 1.00 10.00 C ATOM 408 CG PRO A 26 1.760 6.263 6.077 1.00 10.00 C ATOM 409 CD PRO A 26 1.118 5.352 5.076 1.00 10.00 C ATOM 0 HA PRO A 26 4.232 4.263 5.138 1.00 10.00 H new ATOM 0 HB2 PRO A 26 3.793 6.420 6.723 1.00 10.00 H new ATOM 0 HB3 PRO A 26 3.572 6.616 4.996 1.00 10.00 H new ATOM 0 HG2 PRO A 26 1.467 6.005 7.095 1.00 10.00 H new ATOM 0 HG3 PRO A 26 1.469 7.301 5.914 1.00 10.00 H new ATOM 0 HD2 PRO A 26 0.124 5.037 5.393 1.00 10.00 H new ATOM 0 HD3 PRO A 26 1.006 5.832 4.104 1.00 10.00 H new ATOM 417 N LEU A 27 3.789 2.629 6.970 1.00 10.00 N ATOM 418 CA LEU A 27 3.759 1.728 8.100 1.00 10.00 C ATOM 419 C LEU A 27 4.732 2.061 9.209 1.00 10.00 C ATOM 420 O LEU A 27 4.464 1.883 10.395 1.00 10.00 O ATOM 421 CB LEU A 27 3.942 0.300 7.617 1.00 10.00 C ATOM 422 CG LEU A 27 2.642 -0.346 7.144 1.00 10.00 C ATOM 423 CD1 LEU A 27 2.891 -1.751 6.611 1.00 10.00 C ATOM 424 CD2 LEU A 27 1.633 -0.366 8.290 1.00 10.00 C ATOM 0 H LEU A 27 4.181 2.217 6.123 1.00 10.00 H new ATOM 0 HA LEU A 27 2.778 1.849 8.558 1.00 10.00 H new ATOM 0 HB2 LEU A 27 4.664 0.289 6.800 1.00 10.00 H new ATOM 0 HB3 LEU A 27 4.365 -0.298 8.424 1.00 10.00 H new ATOM 0 HG LEU A 27 2.233 0.245 6.324 1.00 10.00 H new ATOM 0 HD11 LEU A 27 1.948 -2.187 6.281 1.00 10.00 H new ATOM 0 HD12 LEU A 27 3.583 -1.704 5.770 1.00 10.00 H new ATOM 0 HD13 LEU A 27 3.320 -2.369 7.400 1.00 10.00 H new ATOM 0 HD21 LEU A 27 0.706 -0.827 7.950 1.00 10.00 H new ATOM 0 HD22 LEU A 27 2.040 -0.939 9.123 1.00 10.00 H new ATOM 0 HD23 LEU A 27 1.432 0.655 8.616 1.00 10.00 H new ATOM 436 N THR A 28 5.876 2.569 8.774 1.00 10.00 N ATOM 437 CA THR A 28 6.975 2.900 9.649 1.00 10.00 C ATOM 438 C THR A 28 6.934 4.366 10.080 1.00 10.00 C ATOM 439 O THR A 28 7.861 4.885 10.702 1.00 10.00 O ATOM 440 CB THR A 28 8.317 2.638 8.921 1.00 10.00 C ATOM 441 OG1 THR A 28 8.644 3.749 8.072 1.00 10.00 O ATOM 442 CG2 THR A 28 8.236 1.389 8.056 1.00 10.00 C ATOM 0 H THR A 28 6.063 2.763 7.790 1.00 10.00 H new ATOM 0 HA THR A 28 6.888 2.273 10.537 1.00 10.00 H new ATOM 0 HB THR A 28 9.083 2.503 9.685 1.00 10.00 H new ATOM 0 HG1 THR A 28 9.495 3.574 7.618 1.00 10.00 H new ATOM 0 HG21 THR A 28 9.192 1.229 7.557 1.00 10.00 H new ATOM 0 HG22 THR A 28 8.005 0.527 8.682 1.00 10.00 H new ATOM 0 HG23 THR A 28 7.453 1.514 7.308 1.00 10.00 H new ATOM 450 N ARG A 29 5.827 5.019 9.740 1.00 10.00 N ATOM 451 CA ARG A 29 5.552 6.364 10.190 1.00 10.00 C ATOM 452 C ARG A 29 4.103 6.369 10.636 1.00 10.00 C ATOM 453 O ARG A 29 3.269 7.063 10.062 1.00 10.00 O ATOM 454 CB ARG A 29 5.789 7.381 9.074 1.00 10.00 C ATOM 455 CG ARG A 29 5.941 8.802 9.581 1.00 10.00 C ATOM 456 CD ARG A 29 6.588 9.692 8.540 1.00 10.00 C ATOM 457 NE ARG A 29 7.926 10.114 8.952 1.00 10.00 N ATOM 458 CZ ARG A 29 9.070 9.677 8.419 1.00 10.00 C ATOM 459 NH1 ARG A 29 9.070 8.739 7.478 1.00 10.00 N ATOM 460 NH2 ARG A 29 10.221 10.176 8.847 1.00 10.00 N ATOM 0 H ARG A 29 5.100 4.623 9.144 1.00 10.00 H new ATOM 0 HA ARG A 29 6.217 6.650 11.005 1.00 10.00 H new ATOM 0 HB2 ARG A 29 6.686 7.102 8.522 1.00 10.00 H new ATOM 0 HB3 ARG A 29 4.957 7.340 8.372 1.00 10.00 H new ATOM 0 HG2 ARG A 29 4.963 9.202 9.847 1.00 10.00 H new ATOM 0 HG3 ARG A 29 6.544 8.804 10.489 1.00 10.00 H new ATOM 0 HD2 ARG A 29 6.650 9.159 7.591 1.00 10.00 H new ATOM 0 HD3 ARG A 29 5.964 10.570 8.372 1.00 10.00 H new ATOM 0 HE ARG A 29 7.991 10.797 9.707 1.00 10.00 H new ATOM 0 HH11 ARG A 29 8.188 8.343 7.153 1.00 10.00 H new ATOM 0 HH12 ARG A 29 9.952 8.415 7.080 1.00 10.00 H new ATOM 0 HH21 ARG A 29 10.228 10.888 9.578 1.00 10.00 H new ATOM 0 HH22 ARG A 29 11.100 9.848 8.446 1.00 10.00 H new ATOM 474 N PRO A 30 3.795 5.571 11.682 1.00 10.00 N ATOM 475 CA PRO A 30 2.437 5.389 12.184 1.00 10.00 C ATOM 476 C PRO A 30 1.687 6.684 12.443 1.00 10.00 C ATOM 477 O PRO A 30 0.565 6.835 11.996 1.00 10.00 O ATOM 478 CB PRO A 30 2.603 4.646 13.498 1.00 10.00 C ATOM 479 CG PRO A 30 4.062 4.633 13.793 1.00 10.00 C ATOM 480 CD PRO A 30 4.760 4.801 12.482 1.00 10.00 C ATOM 0 HA PRO A 30 1.846 4.861 11.436 1.00 10.00 H new ATOM 0 HB2 PRO A 30 2.050 5.141 14.296 1.00 10.00 H new ATOM 0 HB3 PRO A 30 2.213 3.631 13.422 1.00 10.00 H new ATOM 0 HG2 PRO A 30 4.326 5.437 14.479 1.00 10.00 H new ATOM 0 HG3 PRO A 30 4.353 3.698 14.271 1.00 10.00 H new ATOM 0 HD2 PRO A 30 5.705 5.333 12.594 1.00 10.00 H new ATOM 0 HD3 PRO A 30 4.988 3.840 12.022 1.00 10.00 H new ATOM 488 N SER A 31 2.295 7.607 13.180 1.00 10.00 N ATOM 489 CA SER A 31 1.657 8.884 13.477 1.00 10.00 C ATOM 490 C SER A 31 1.138 9.498 12.190 1.00 10.00 C ATOM 491 O SER A 31 -0.033 9.852 12.076 1.00 10.00 O ATOM 492 CB SER A 31 2.674 9.803 14.147 1.00 10.00 C ATOM 493 OG SER A 31 3.914 9.127 14.292 1.00 10.00 O ATOM 0 H SER A 31 3.226 7.495 13.582 1.00 10.00 H new ATOM 0 HA SER A 31 0.815 8.739 14.154 1.00 10.00 H new ATOM 0 HB2 SER A 31 2.809 10.706 13.551 1.00 10.00 H new ATOM 0 HB3 SER A 31 2.305 10.118 15.123 1.00 10.00 H new ATOM 0 HG SER A 31 3.865 8.513 15.054 1.00 10.00 H new ATOM 499 N LEU A 32 2.000 9.512 11.195 1.00 10.00 N ATOM 500 CA LEU A 32 1.668 10.052 9.892 1.00 10.00 C ATOM 501 C LEU A 32 0.651 9.140 9.219 1.00 10.00 C ATOM 502 O LEU A 32 -0.278 9.605 8.559 1.00 10.00 O ATOM 503 CB LEU A 32 2.964 10.174 9.069 1.00 10.00 C ATOM 504 CG LEU A 32 2.878 10.891 7.730 1.00 10.00 C ATOM 505 CD1 LEU A 32 2.546 9.925 6.608 1.00 10.00 C ATOM 506 CD2 LEU A 32 1.863 11.997 7.820 1.00 10.00 C ATOM 0 H LEU A 32 2.951 9.150 11.266 1.00 10.00 H new ATOM 0 HA LEU A 32 1.221 11.042 9.978 1.00 10.00 H new ATOM 0 HB2 LEU A 32 3.704 10.690 9.681 1.00 10.00 H new ATOM 0 HB3 LEU A 32 3.345 9.169 8.889 1.00 10.00 H new ATOM 0 HG LEU A 32 3.851 11.324 7.497 1.00 10.00 H new ATOM 0 HD11 LEU A 32 2.492 10.468 5.664 1.00 10.00 H new ATOM 0 HD12 LEU A 32 3.322 9.162 6.543 1.00 10.00 H new ATOM 0 HD13 LEU A 32 1.586 9.450 6.809 1.00 10.00 H new ATOM 0 HD21 LEU A 32 1.800 12.512 6.861 1.00 10.00 H new ATOM 0 HD22 LEU A 32 0.889 11.577 8.071 1.00 10.00 H new ATOM 0 HD23 LEU A 32 2.163 12.705 8.593 1.00 10.00 H new ATOM 518 N CYS A 33 0.782 7.849 9.472 1.00 10.00 N ATOM 519 CA CYS A 33 -0.118 6.860 8.913 1.00 10.00 C ATOM 520 C CYS A 33 -1.504 7.147 9.435 1.00 10.00 C ATOM 521 O CYS A 33 -2.496 7.032 8.721 1.00 10.00 O ATOM 522 CB CYS A 33 0.307 5.489 9.420 1.00 10.00 C ATOM 523 SG CYS A 33 -0.448 4.081 8.580 1.00 10.00 S ATOM 0 H CYS A 33 1.512 7.460 10.068 1.00 10.00 H new ATOM 0 HA CYS A 33 -0.099 6.889 7.824 1.00 10.00 H new ATOM 0 HB2 CYS A 33 1.390 5.407 9.328 1.00 10.00 H new ATOM 0 HB3 CYS A 33 0.072 5.425 10.482 1.00 10.00 H new ATOM 0 HG CYS A 33 -0.972 4.475 7.458 1.00 10.00 H new ATOM 529 N LYS A 34 -1.562 7.569 10.675 1.00 10.00 N ATOM 530 CA LYS A 34 -2.794 7.803 11.350 1.00 10.00 C ATOM 531 C LYS A 34 -3.559 8.986 10.810 1.00 10.00 C ATOM 532 O LYS A 34 -4.782 9.018 10.923 1.00 10.00 O ATOM 533 CB LYS A 34 -2.467 7.946 12.829 1.00 10.00 C ATOM 534 CG LYS A 34 -3.299 8.972 13.575 1.00 10.00 C ATOM 535 CD LYS A 34 -2.416 10.103 14.070 1.00 10.00 C ATOM 536 CE LYS A 34 -3.149 10.992 15.061 1.00 10.00 C ATOM 537 NZ LYS A 34 -2.277 12.073 15.593 1.00 10.00 N ATOM 0 H LYS A 34 -0.736 7.759 11.243 1.00 10.00 H new ATOM 0 HA LYS A 34 -3.468 6.963 11.185 1.00 10.00 H new ATOM 0 HB2 LYS A 34 -2.597 6.976 13.310 1.00 10.00 H new ATOM 0 HB3 LYS A 34 -1.415 8.212 12.929 1.00 10.00 H new ATOM 0 HG2 LYS A 34 -4.075 9.367 12.920 1.00 10.00 H new ATOM 0 HG3 LYS A 34 -3.803 8.499 14.418 1.00 10.00 H new ATOM 0 HD2 LYS A 34 -1.524 9.690 14.541 1.00 10.00 H new ATOM 0 HD3 LYS A 34 -2.081 10.701 13.223 1.00 10.00 H new ATOM 0 HE2 LYS A 34 -4.019 11.434 14.576 1.00 10.00 H new ATOM 0 HE3 LYS A 34 -3.519 10.385 15.887 1.00 10.00 H new ATOM 0 HZ1 LYS A 34 -2.817 12.655 16.265 1.00 10.00 H new ATOM 0 HZ2 LYS A 34 -1.459 11.652 16.079 1.00 10.00 H new ATOM 0 HZ3 LYS A 34 -1.944 12.669 14.808 1.00 10.00 H new ATOM 551 N GLU A 35 -2.909 9.960 10.184 1.00 10.00 N ATOM 552 CA GLU A 35 -3.733 11.039 9.683 1.00 10.00 C ATOM 553 C GLU A 35 -4.455 10.569 8.462 1.00 10.00 C ATOM 554 O GLU A 35 -5.530 11.078 8.140 1.00 10.00 O ATOM 555 CB GLU A 35 -3.023 12.326 9.396 1.00 10.00 C ATOM 556 CG GLU A 35 -1.532 12.193 9.190 1.00 10.00 C ATOM 557 CD GLU A 35 -0.778 13.444 9.597 1.00 10.00 C ATOM 558 OE1 GLU A 35 -1.001 14.511 8.994 1.00 10.00 O ATOM 559 OE2 GLU A 35 0.031 13.371 10.548 1.00 10.00 O ATOM 0 H GLU A 35 -1.904 10.025 10.023 1.00 10.00 H new ATOM 0 HA GLU A 35 -4.419 11.285 10.494 1.00 10.00 H new ATOM 0 HB2 GLU A 35 -3.460 12.775 8.504 1.00 10.00 H new ATOM 0 HB3 GLU A 35 -3.202 13.016 10.221 1.00 10.00 H new ATOM 0 HG2 GLU A 35 -1.162 11.345 9.767 1.00 10.00 H new ATOM 0 HG3 GLU A 35 -1.331 11.976 8.141 1.00 10.00 H new ATOM 566 N TRP A 36 -3.878 9.563 7.794 1.00 10.00 N ATOM 567 CA TRP A 36 -4.527 9.015 6.632 1.00 10.00 C ATOM 568 C TRP A 36 -5.888 8.556 7.114 1.00 10.00 C ATOM 569 O TRP A 36 -6.863 8.659 6.377 1.00 10.00 O ATOM 570 CB TRP A 36 -3.747 7.847 5.997 1.00 10.00 C ATOM 571 CG TRP A 36 -2.389 8.215 5.454 1.00 10.00 C ATOM 572 CD1 TRP A 36 -1.531 9.153 5.954 1.00 10.00 C ATOM 573 CD2 TRP A 36 -1.731 7.644 4.303 1.00 10.00 C ATOM 574 NE1 TRP A 36 -0.399 9.222 5.178 1.00 10.00 N ATOM 575 CE2 TRP A 36 -0.491 8.303 4.168 1.00 10.00 C ATOM 576 CE3 TRP A 36 -2.067 6.648 3.366 1.00 10.00 C ATOM 577 CZ2 TRP A 36 0.408 8.006 3.149 1.00 10.00 C ATOM 578 CZ3 TRP A 36 -1.168 6.354 2.351 1.00 10.00 C ATOM 579 CH2 TRP A 36 0.056 7.034 2.251 1.00 10.00 C ATOM 0 H TRP A 36 -2.987 9.132 8.041 1.00 10.00 H new ATOM 0 HA TRP A 36 -4.592 9.766 5.844 1.00 10.00 H new ATOM 0 HB2 TRP A 36 -3.624 7.062 6.743 1.00 10.00 H new ATOM 0 HB3 TRP A 36 -4.345 7.427 5.188 1.00 10.00 H new ATOM 0 HD1 TRP A 36 -1.716 9.754 6.832 1.00 10.00 H new ATOM 0 HE1 TRP A 36 0.385 9.857 5.330 1.00 10.00 H new ATOM 0 HE3 TRP A 36 -3.008 6.122 3.436 1.00 10.00 H new ATOM 0 HZ2 TRP A 36 1.352 8.525 3.069 1.00 10.00 H new ATOM 0 HZ3 TRP A 36 -1.413 5.591 1.627 1.00 10.00 H new ATOM 0 HH2 TRP A 36 0.735 6.785 1.449 1.00 10.00 H new ATOM 590 N GLU A 37 -5.971 8.163 8.396 1.00 10.00 N ATOM 591 CA GLU A 37 -7.223 7.685 8.952 1.00 10.00 C ATOM 592 C GLU A 37 -8.319 8.709 8.724 1.00 10.00 C ATOM 593 O GLU A 37 -9.400 8.456 8.196 1.00 10.00 O ATOM 594 CB GLU A 37 -7.123 7.324 10.444 1.00 10.00 C ATOM 595 CG GLU A 37 -6.144 6.206 10.752 1.00 10.00 C ATOM 596 CD GLU A 37 -6.595 4.852 10.256 1.00 10.00 C ATOM 597 OE1 GLU A 37 -7.584 4.316 10.801 1.00 10.00 O ATOM 598 OE2 GLU A 37 -5.939 4.299 9.348 1.00 10.00 O ATOM 0 H GLU A 37 -5.189 8.171 9.051 1.00 10.00 H new ATOM 0 HA GLU A 37 -7.470 6.761 8.428 1.00 10.00 H new ATOM 0 HB2 GLU A 37 -6.828 8.213 11.002 1.00 10.00 H new ATOM 0 HB3 GLU A 37 -8.111 7.035 10.803 1.00 10.00 H new ATOM 0 HG2 GLU A 37 -5.180 6.445 10.303 1.00 10.00 H new ATOM 0 HG3 GLU A 37 -5.990 6.156 11.830 1.00 10.00 H new ATOM 605 N ALA A 38 -7.906 9.928 9.142 1.00 10.00 N ATOM 606 CA ALA A 38 -8.691 11.149 9.091 1.00 10.00 C ATOM 607 C ALA A 38 -9.209 11.449 7.697 1.00 10.00 C ATOM 608 O ALA A 38 -10.300 11.992 7.561 1.00 10.00 O ATOM 609 CB ALA A 38 -7.855 12.314 9.611 1.00 10.00 C ATOM 0 H ALA A 38 -6.977 10.077 9.537 1.00 10.00 H new ATOM 0 HA ALA A 38 -9.565 11.008 9.726 1.00 10.00 H new ATOM 0 HB1 ALA A 38 -8.444 13.230 9.573 1.00 10.00 H new ATOM 0 HB2 ALA A 38 -7.557 12.117 10.641 1.00 10.00 H new ATOM 0 HB3 ALA A 38 -6.965 12.428 8.992 1.00 10.00 H new ATOM 615 N ALA A 39 -8.460 11.116 6.672 1.00 10.00 N ATOM 616 CA ALA A 39 -8.915 11.382 5.318 1.00 10.00 C ATOM 617 C ALA A 39 -9.766 10.230 4.796 1.00 10.00 C ATOM 618 O ALA A 39 -10.484 10.367 3.809 1.00 10.00 O ATOM 619 CB ALA A 39 -7.722 11.635 4.408 1.00 10.00 C ATOM 0 H ALA A 39 -7.547 10.667 6.741 1.00 10.00 H new ATOM 0 HA ALA A 39 -9.539 12.276 5.328 1.00 10.00 H new ATOM 0 HB1 ALA A 39 -8.073 11.833 3.395 1.00 10.00 H new ATOM 0 HB2 ALA A 39 -7.162 12.496 4.773 1.00 10.00 H new ATOM 0 HB3 ALA A 39 -7.076 10.757 4.403 1.00 10.00 H new ATOM 625 N VAL A 40 -9.714 9.106 5.495 1.00 10.00 N ATOM 626 CA VAL A 40 -10.571 7.960 5.193 1.00 10.00 C ATOM 627 C VAL A 40 -11.845 8.060 6.056 1.00 10.00 C ATOM 628 O VAL A 40 -12.416 7.062 6.495 1.00 10.00 O ATOM 629 CB VAL A 40 -9.864 6.626 5.477 1.00 10.00 C ATOM 630 CG1 VAL A 40 -10.648 5.477 4.869 1.00 10.00 C ATOM 631 CG2 VAL A 40 -8.439 6.643 4.950 1.00 10.00 C ATOM 0 H VAL A 40 -9.083 8.959 6.283 1.00 10.00 H new ATOM 0 HA VAL A 40 -10.817 7.982 4.131 1.00 10.00 H new ATOM 0 HB VAL A 40 -9.819 6.484 6.557 1.00 10.00 H new ATOM 0 HG11 VAL A 40 -10.137 4.537 5.077 1.00 10.00 H new ATOM 0 HG12 VAL A 40 -11.648 5.450 5.302 1.00 10.00 H new ATOM 0 HG13 VAL A 40 -10.723 5.618 3.791 1.00 10.00 H new ATOM 0 HG21 VAL A 40 -7.961 5.687 5.164 1.00 10.00 H new ATOM 0 HG22 VAL A 40 -8.451 6.810 3.873 1.00 10.00 H new ATOM 0 HG23 VAL A 40 -7.881 7.444 5.435 1.00 10.00 H new ATOM 641 N ARG A 41 -12.264 9.296 6.301 1.00 10.00 N ATOM 642 CA ARG A 41 -13.418 9.622 7.164 1.00 10.00 C ATOM 643 C ARG A 41 -14.773 9.076 6.691 1.00 10.00 C ATOM 644 O ARG A 41 -15.815 9.497 7.198 1.00 10.00 O ATOM 645 CB ARG A 41 -13.527 11.140 7.319 1.00 10.00 C ATOM 646 CG ARG A 41 -14.019 11.852 6.070 1.00 10.00 C ATOM 647 CD ARG A 41 -12.878 12.449 5.269 1.00 10.00 C ATOM 648 NE ARG A 41 -12.000 13.276 6.097 1.00 10.00 N ATOM 649 CZ ARG A 41 -11.985 14.611 6.105 1.00 10.00 C ATOM 650 NH1 ARG A 41 -12.859 15.311 5.385 1.00 10.00 N ATOM 651 NH2 ARG A 41 -11.102 15.246 6.867 1.00 10.00 N ATOM 0 H ARG A 41 -11.812 10.120 5.905 1.00 10.00 H new ATOM 0 HA ARG A 41 -13.211 9.124 8.111 1.00 10.00 H new ATOM 0 HB2 ARG A 41 -14.204 11.364 8.143 1.00 10.00 H new ATOM 0 HB3 ARG A 41 -12.550 11.539 7.592 1.00 10.00 H new ATOM 0 HG2 ARG A 41 -14.571 11.149 5.446 1.00 10.00 H new ATOM 0 HG3 ARG A 41 -14.715 12.642 6.353 1.00 10.00 H new ATOM 0 HD2 ARG A 41 -12.297 11.647 4.813 1.00 10.00 H new ATOM 0 HD3 ARG A 41 -13.283 13.052 4.456 1.00 10.00 H new ATOM 0 HE ARG A 41 -11.348 12.795 6.717 1.00 10.00 H new ATOM 0 HH11 ARG A 41 -13.554 14.828 4.816 1.00 10.00 H new ATOM 0 HH12 ARG A 41 -12.834 16.331 5.403 1.00 10.00 H new ATOM 0 HH21 ARG A 41 -10.445 14.714 7.438 1.00 10.00 H new ATOM 0 HH22 ARG A 41 -11.081 16.266 6.882 1.00 10.00 H new ATOM 665 N ARG A 42 -14.788 8.159 5.747 1.00 10.00 N ATOM 666 CA ARG A 42 -16.053 7.618 5.271 1.00 10.00 C ATOM 667 C ARG A 42 -16.571 6.533 6.212 1.00 10.00 C ATOM 668 O ARG A 42 -15.807 5.955 6.982 1.00 10.00 O ATOM 669 CB ARG A 42 -15.911 7.055 3.862 1.00 10.00 C ATOM 670 CG ARG A 42 -17.169 7.224 3.024 1.00 10.00 C ATOM 671 CD ARG A 42 -17.413 8.688 2.692 1.00 10.00 C ATOM 672 NE ARG A 42 -18.786 9.099 2.989 1.00 10.00 N ATOM 673 CZ ARG A 42 -19.570 9.770 2.144 1.00 10.00 C ATOM 674 NH1 ARG A 42 -19.137 10.087 0.930 1.00 10.00 N ATOM 675 NH2 ARG A 42 -20.795 10.116 2.511 1.00 10.00 N ATOM 0 H ARG A 42 -13.957 7.775 5.298 1.00 10.00 H new ATOM 0 HA ARG A 42 -16.773 8.436 5.249 1.00 10.00 H new ATOM 0 HB2 ARG A 42 -15.079 7.550 3.361 1.00 10.00 H new ATOM 0 HB3 ARG A 42 -15.662 5.996 3.924 1.00 10.00 H new ATOM 0 HG2 ARG A 42 -17.076 6.650 2.102 1.00 10.00 H new ATOM 0 HG3 ARG A 42 -18.026 6.823 3.564 1.00 10.00 H new ATOM 0 HD2 ARG A 42 -16.719 9.308 3.259 1.00 10.00 H new ATOM 0 HD3 ARG A 42 -17.204 8.859 1.636 1.00 10.00 H new ATOM 0 HE ARG A 42 -19.169 8.856 3.903 1.00 10.00 H new ATOM 0 HH11 ARG A 42 -18.198 9.817 0.637 1.00 10.00 H new ATOM 0 HH12 ARG A 42 -19.743 10.600 0.290 1.00 10.00 H new ATOM 0 HH21 ARG A 42 -21.138 9.869 3.439 1.00 10.00 H new ATOM 0 HH22 ARG A 42 -21.395 10.629 1.865 1.00 10.00 H new ATOM 689 N LYS A 43 -17.883 6.293 6.169 1.00 10.00 N ATOM 690 CA LYS A 43 -18.517 5.269 6.996 1.00 10.00 C ATOM 691 C LYS A 43 -17.882 3.918 6.736 1.00 10.00 C ATOM 692 O LYS A 43 -17.453 3.225 7.658 1.00 10.00 O ATOM 693 CB LYS A 43 -20.027 5.199 6.698 1.00 10.00 C ATOM 694 CG LYS A 43 -20.608 3.787 6.749 1.00 10.00 C ATOM 695 CD LYS A 43 -22.072 3.758 6.335 1.00 10.00 C ATOM 696 CE LYS A 43 -22.677 2.371 6.507 1.00 10.00 C ATOM 697 NZ LYS A 43 -24.004 2.255 5.843 1.00 10.00 N ATOM 0 H LYS A 43 -18.530 6.799 5.565 1.00 10.00 H new ATOM 0 HA LYS A 43 -18.374 5.535 8.043 1.00 10.00 H new ATOM 0 HB2 LYS A 43 -20.557 5.825 7.416 1.00 10.00 H new ATOM 0 HB3 LYS A 43 -20.211 5.621 5.710 1.00 10.00 H new ATOM 0 HG2 LYS A 43 -20.033 3.134 6.093 1.00 10.00 H new ATOM 0 HG3 LYS A 43 -20.509 3.390 7.759 1.00 10.00 H new ATOM 0 HD2 LYS A 43 -22.634 4.477 6.932 1.00 10.00 H new ATOM 0 HD3 LYS A 43 -22.162 4.068 5.294 1.00 10.00 H new ATOM 0 HE2 LYS A 43 -21.998 1.626 6.093 1.00 10.00 H new ATOM 0 HE3 LYS A 43 -22.783 2.151 7.569 1.00 10.00 H new ATOM 0 HZ1 LYS A 43 -24.380 1.296 5.984 1.00 10.00 H new ATOM 0 HZ2 LYS A 43 -24.660 2.949 6.255 1.00 10.00 H new ATOM 0 HZ3 LYS A 43 -23.900 2.439 4.825 1.00 10.00 H new ATOM 711 N ASN A 44 -17.808 3.561 5.469 1.00 10.00 N ATOM 712 CA ASN A 44 -17.240 2.293 5.075 1.00 10.00 C ATOM 713 C ASN A 44 -15.732 2.406 4.925 1.00 10.00 C ATOM 714 O ASN A 44 -15.205 2.315 3.815 1.00 10.00 O ATOM 715 CB ASN A 44 -17.875 1.781 3.770 1.00 10.00 C ATOM 716 CG ASN A 44 -18.304 2.892 2.825 1.00 10.00 C ATOM 717 OD1 ASN A 44 -17.734 3.983 2.813 1.00 10.00 O ATOM 718 ND2 ASN A 44 -19.328 2.623 2.027 1.00 10.00 N ATOM 0 H ASN A 44 -18.137 4.136 4.694 1.00 10.00 H new ATOM 0 HA ASN A 44 -17.457 1.570 5.861 1.00 10.00 H new ATOM 0 HB2 ASN A 44 -17.162 1.135 3.258 1.00 10.00 H new ATOM 0 HB3 ASN A 44 -18.742 1.168 4.014 1.00 10.00 H new ATOM 0 HD21 ASN A 44 -19.667 3.331 1.376 1.00 10.00 H new ATOM 0 HD22 ASN A 44 -19.777 1.708 2.064 1.00 10.00 H new ATOM 725 N PHE A 45 -15.052 2.672 6.042 1.00 10.00 N ATOM 726 CA PHE A 45 -13.592 2.757 6.042 1.00 10.00 C ATOM 727 C PHE A 45 -13.018 1.484 5.403 1.00 10.00 C ATOM 728 O PHE A 45 -13.262 0.371 5.874 1.00 10.00 O ATOM 729 CB PHE A 45 -13.050 2.959 7.482 1.00 10.00 C ATOM 730 CG PHE A 45 -11.556 3.245 7.587 1.00 10.00 C ATOM 731 CD1 PHE A 45 -10.632 2.368 7.057 1.00 10.00 C ATOM 732 CD2 PHE A 45 -11.075 4.386 8.231 1.00 10.00 C ATOM 733 CE1 PHE A 45 -9.276 2.599 7.148 1.00 10.00 C ATOM 734 CE2 PHE A 45 -9.715 4.626 8.326 1.00 10.00 C ATOM 735 CZ PHE A 45 -8.816 3.731 7.782 1.00 10.00 C ATOM 0 H PHE A 45 -15.486 2.831 6.951 1.00 10.00 H new ATOM 0 HA PHE A 45 -13.278 3.622 5.457 1.00 10.00 H new ATOM 0 HB2 PHE A 45 -13.593 3.783 7.944 1.00 10.00 H new ATOM 0 HB3 PHE A 45 -13.273 2.065 8.064 1.00 10.00 H new ATOM 0 HD1 PHE A 45 -10.981 1.476 6.557 1.00 10.00 H new ATOM 0 HD2 PHE A 45 -11.772 5.090 8.660 1.00 10.00 H new ATOM 0 HE1 PHE A 45 -8.577 1.894 6.723 1.00 10.00 H new ATOM 0 HE2 PHE A 45 -9.357 5.514 8.826 1.00 10.00 H new ATOM 0 HZ PHE A 45 -7.755 3.918 7.854 1.00 10.00 H new ATOM 745 N LYS A 46 -12.301 1.684 4.306 1.00 10.00 N ATOM 746 CA LYS A 46 -11.652 0.622 3.534 1.00 10.00 C ATOM 747 C LYS A 46 -10.576 -0.098 4.380 1.00 10.00 C ATOM 748 O LYS A 46 -10.537 0.083 5.586 1.00 10.00 O ATOM 749 CB LYS A 46 -11.067 1.276 2.278 1.00 10.00 C ATOM 750 CG LYS A 46 -11.547 0.645 0.973 1.00 10.00 C ATOM 751 CD LYS A 46 -12.208 1.649 0.045 1.00 10.00 C ATOM 752 CE LYS A 46 -12.742 0.975 -1.210 1.00 10.00 C ATOM 753 NZ LYS A 46 -13.656 -0.150 -0.889 1.00 10.00 N ATOM 0 H LYS A 46 -12.148 2.613 3.914 1.00 10.00 H new ATOM 0 HA LYS A 46 -12.366 -0.150 3.248 1.00 10.00 H new ATOM 0 HB2 LYS A 46 -11.328 2.334 2.276 1.00 10.00 H new ATOM 0 HB3 LYS A 46 -9.980 1.216 2.321 1.00 10.00 H new ATOM 0 HG2 LYS A 46 -10.700 0.187 0.462 1.00 10.00 H new ATOM 0 HG3 LYS A 46 -12.253 -0.154 1.199 1.00 10.00 H new ATOM 0 HD2 LYS A 46 -13.024 2.148 0.568 1.00 10.00 H new ATOM 0 HD3 LYS A 46 -11.489 2.420 -0.232 1.00 10.00 H new ATOM 0 HE2 LYS A 46 -13.270 1.709 -1.819 1.00 10.00 H new ATOM 0 HE3 LYS A 46 -11.908 0.606 -1.807 1.00 10.00 H new ATOM 0 HZ1 LYS A 46 -14.421 -0.187 -1.592 1.00 10.00 H new ATOM 0 HZ2 LYS A 46 -13.125 -1.044 -0.907 1.00 10.00 H new ATOM 0 HZ3 LYS A 46 -14.063 -0.008 0.058 1.00 10.00 H new ATOM 767 N PRO A 47 -9.738 -0.987 3.785 1.00 10.00 N ATOM 768 CA PRO A 47 -8.679 -1.702 4.514 1.00 10.00 C ATOM 769 C PRO A 47 -7.879 -0.827 5.481 1.00 10.00 C ATOM 770 O PRO A 47 -7.964 0.398 5.508 1.00 10.00 O ATOM 771 CB PRO A 47 -7.809 -2.234 3.398 1.00 10.00 C ATOM 772 CG PRO A 47 -8.771 -2.516 2.305 1.00 10.00 C ATOM 773 CD PRO A 47 -9.773 -1.403 2.377 1.00 10.00 C ATOM 0 HA PRO A 47 -9.091 -2.470 5.169 1.00 10.00 H new ATOM 0 HB2 PRO A 47 -7.059 -1.504 3.093 1.00 10.00 H new ATOM 0 HB3 PRO A 47 -7.274 -3.133 3.702 1.00 10.00 H new ATOM 0 HG2 PRO A 47 -8.273 -2.537 1.336 1.00 10.00 H new ATOM 0 HG3 PRO A 47 -9.248 -3.487 2.439 1.00 10.00 H new ATOM 0 HD2 PRO A 47 -9.507 -0.582 1.711 1.00 10.00 H new ATOM 0 HD3 PRO A 47 -10.767 -1.741 2.085 1.00 10.00 H new ATOM 781 N THR A 48 -6.995 -1.511 6.182 1.00 10.00 N ATOM 782 CA THR A 48 -6.020 -0.887 7.040 1.00 10.00 C ATOM 783 C THR A 48 -4.901 -0.554 6.086 1.00 10.00 C ATOM 784 O THR A 48 -5.056 -0.399 4.871 1.00 10.00 O ATOM 785 CB THR A 48 -5.580 -1.854 8.133 1.00 10.00 C ATOM 786 OG1 THR A 48 -4.820 -2.950 7.583 1.00 10.00 O ATOM 787 CG2 THR A 48 -6.815 -2.391 8.789 1.00 10.00 C ATOM 0 H THR A 48 -6.937 -2.529 6.168 1.00 10.00 H new ATOM 0 HA THR A 48 -6.388 -0.009 7.570 1.00 10.00 H new ATOM 0 HB THR A 48 -4.945 -1.330 8.848 1.00 10.00 H new ATOM 0 HG1 THR A 48 -4.821 -3.699 8.215 1.00 10.00 H new ATOM 0 HG21 THR A 48 -6.534 -3.088 9.578 1.00 10.00 H new ATOM 0 HG22 THR A 48 -7.386 -1.568 9.218 1.00 10.00 H new ATOM 0 HG23 THR A 48 -7.425 -2.908 8.048 1.00 10.00 H new ATOM 795 N LYS A 49 -3.742 -0.502 6.710 1.00 10.00 N ATOM 796 CA LYS A 49 -2.515 -0.070 6.087 1.00 10.00 C ATOM 797 C LYS A 49 -1.717 -1.199 5.439 1.00 10.00 C ATOM 798 O LYS A 49 -0.677 -0.938 4.839 1.00 10.00 O ATOM 799 CB LYS A 49 -1.644 0.593 7.168 1.00 10.00 C ATOM 800 CG LYS A 49 -1.841 0.053 8.581 1.00 10.00 C ATOM 801 CD LYS A 49 -2.397 1.121 9.509 1.00 10.00 C ATOM 802 CE LYS A 49 -3.842 1.449 9.179 1.00 10.00 C ATOM 803 NZ LYS A 49 -4.455 2.352 10.184 1.00 10.00 N ATOM 0 H LYS A 49 -3.628 -0.766 7.689 1.00 10.00 H new ATOM 0 HA LYS A 49 -2.784 0.617 5.285 1.00 10.00 H new ATOM 0 HB2 LYS A 49 -0.596 0.472 6.893 1.00 10.00 H new ATOM 0 HB3 LYS A 49 -1.851 1.663 7.173 1.00 10.00 H new ATOM 0 HG2 LYS A 49 -2.521 -0.799 8.555 1.00 10.00 H new ATOM 0 HG3 LYS A 49 -0.889 -0.310 8.970 1.00 10.00 H new ATOM 0 HD2 LYS A 49 -2.327 0.779 10.542 1.00 10.00 H new ATOM 0 HD3 LYS A 49 -1.791 2.024 9.431 1.00 10.00 H new ATOM 0 HE2 LYS A 49 -3.891 1.916 8.195 1.00 10.00 H new ATOM 0 HE3 LYS A 49 -4.419 0.526 9.123 1.00 10.00 H new ATOM 0 HZ1 LYS A 49 -4.980 1.788 10.883 1.00 10.00 H new ATOM 0 HZ2 LYS A 49 -3.709 2.893 10.666 1.00 10.00 H new ATOM 0 HZ3 LYS A 49 -5.107 3.009 9.709 1.00 10.00 H new ATOM 817 N TYR A 50 -2.156 -2.447 5.575 1.00 10.00 N ATOM 818 CA TYR A 50 -1.481 -3.508 4.872 1.00 10.00 C ATOM 819 C TYR A 50 -2.005 -3.455 3.459 1.00 10.00 C ATOM 820 O TYR A 50 -1.285 -3.870 2.556 1.00 10.00 O ATOM 821 CB TYR A 50 -1.794 -4.839 5.508 1.00 10.00 C ATOM 822 CG TYR A 50 -1.245 -5.005 6.899 1.00 10.00 C ATOM 823 CD1 TYR A 50 0.091 -5.301 7.101 1.00 10.00 C ATOM 824 CD2 TYR A 50 -2.077 -4.927 8.006 1.00 10.00 C ATOM 825 CE1 TYR A 50 0.583 -5.532 8.360 1.00 10.00 C ATOM 826 CE2 TYR A 50 -1.586 -5.138 9.274 1.00 10.00 C ATOM 827 CZ TYR A 50 -0.254 -5.449 9.442 1.00 10.00 C ATOM 828 OH TYR A 50 0.239 -5.729 10.687 1.00 10.00 O ATOM 0 H TYR A 50 -2.950 -2.733 6.148 1.00 10.00 H new ATOM 0 HA TYR A 50 -0.398 -3.390 4.901 1.00 10.00 H new ATOM 0 HB2 TYR A 50 -2.876 -4.968 5.539 1.00 10.00 H new ATOM 0 HB3 TYR A 50 -1.396 -5.633 4.876 1.00 10.00 H new ATOM 0 HD1 TYR A 50 0.758 -5.351 6.253 1.00 10.00 H new ATOM 0 HD2 TYR A 50 -3.124 -4.698 7.871 1.00 10.00 H new ATOM 0 HE1 TYR A 50 1.625 -5.778 8.498 1.00 10.00 H new ATOM 0 HE2 TYR A 50 -2.239 -5.061 10.131 1.00 10.00 H new ATOM 0 HH TYR A 50 -0.474 -5.626 11.352 1.00 10.00 H new ATOM 838 N SER A 51 -3.218 -3.012 3.214 1.00 10.00 N ATOM 839 CA SER A 51 -3.623 -2.858 1.833 1.00 10.00 C ATOM 840 C SER A 51 -2.769 -1.769 1.187 1.00 10.00 C ATOM 841 O SER A 51 -2.022 -1.048 1.857 1.00 10.00 O ATOM 842 CB SER A 51 -5.099 -2.536 1.753 1.00 10.00 C ATOM 843 OG SER A 51 -5.853 -3.721 1.562 1.00 10.00 O ATOM 0 H SER A 51 -3.914 -2.762 3.916 1.00 10.00 H new ATOM 0 HA SER A 51 -3.468 -3.790 1.289 1.00 10.00 H new ATOM 0 HB2 SER A 51 -5.419 -2.037 2.668 1.00 10.00 H new ATOM 0 HB3 SER A 51 -5.283 -1.844 0.931 1.00 10.00 H new ATOM 0 HG SER A 51 -6.356 -3.657 0.723 1.00 10.00 H new ATOM 849 N SER A 52 -2.910 -1.651 -0.123 1.00 10.00 N ATOM 850 CA SER A 52 -2.157 -0.705 -0.897 1.00 10.00 C ATOM 851 C SER A 52 -3.087 0.419 -1.397 1.00 10.00 C ATOM 852 O SER A 52 -4.315 0.277 -1.437 1.00 10.00 O ATOM 853 CB SER A 52 -1.452 -1.468 -2.035 1.00 10.00 C ATOM 854 OG SER A 52 -2.061 -2.758 -2.276 1.00 10.00 O ATOM 0 H SER A 52 -3.556 -2.217 -0.673 1.00 10.00 H new ATOM 0 HA SER A 52 -1.389 -0.217 -0.297 1.00 10.00 H new ATOM 0 HB2 SER A 52 -1.488 -0.873 -2.948 1.00 10.00 H new ATOM 0 HB3 SER A 52 -0.400 -1.604 -1.784 1.00 10.00 H new ATOM 0 HG SER A 52 -1.589 -3.212 -3.005 1.00 10.00 H new ATOM 860 N ILE A 53 -2.442 1.531 -1.775 1.00 10.00 N ATOM 861 CA ILE A 53 -3.089 2.773 -2.188 1.00 10.00 C ATOM 862 C ILE A 53 -2.490 3.215 -3.538 1.00 10.00 C ATOM 863 O ILE A 53 -1.377 2.825 -3.862 1.00 10.00 O ATOM 864 CB ILE A 53 -2.870 3.882 -1.099 1.00 10.00 C ATOM 865 CG1 ILE A 53 -3.514 3.489 0.237 1.00 10.00 C ATOM 866 CG2 ILE A 53 -3.420 5.224 -1.544 1.00 10.00 C ATOM 867 CD1 ILE A 53 -2.696 2.516 1.055 1.00 10.00 C ATOM 0 H ILE A 53 -1.424 1.587 -1.801 1.00 10.00 H new ATOM 0 HA ILE A 53 -4.162 2.616 -2.300 1.00 10.00 H new ATOM 0 HB ILE A 53 -1.792 3.973 -0.963 1.00 10.00 H new ATOM 0 HG12 ILE A 53 -3.682 4.391 0.826 1.00 10.00 H new ATOM 0 HG13 ILE A 53 -4.492 3.050 0.041 1.00 10.00 H new ATOM 0 HG21 ILE A 53 -3.249 5.965 -0.763 1.00 10.00 H new ATOM 0 HG22 ILE A 53 -2.917 5.538 -2.458 1.00 10.00 H new ATOM 0 HG23 ILE A 53 -4.490 5.135 -1.731 1.00 10.00 H new ATOM 0 HD11 ILE A 53 -3.221 2.290 1.983 1.00 10.00 H new ATOM 0 HD12 ILE A 53 -2.550 1.597 0.488 1.00 10.00 H new ATOM 0 HD13 ILE A 53 -1.727 2.959 1.285 1.00 10.00 H new ATOM 879 N CYS A 54 -3.205 4.012 -4.327 1.00 10.00 N ATOM 880 CA CYS A 54 -2.666 4.490 -5.589 1.00 10.00 C ATOM 881 C CYS A 54 -2.262 5.973 -5.470 1.00 10.00 C ATOM 882 O CYS A 54 -2.773 6.718 -4.635 1.00 10.00 O ATOM 883 CB CYS A 54 -3.671 4.220 -6.715 1.00 10.00 C ATOM 884 SG CYS A 54 -5.057 5.362 -6.775 1.00 10.00 S ATOM 0 H CYS A 54 -4.149 4.336 -4.115 1.00 10.00 H new ATOM 0 HA CYS A 54 -1.756 3.946 -5.841 1.00 10.00 H new ATOM 0 HB2 CYS A 54 -3.145 4.258 -7.669 1.00 10.00 H new ATOM 0 HB3 CYS A 54 -4.057 3.207 -6.603 1.00 10.00 H new ATOM 0 HG CYS A 54 -6.172 4.695 -6.720 1.00 10.00 H new ATOM 889 N SER A 55 -1.318 6.345 -6.316 1.00 10.00 N ATOM 890 CA SER A 55 -0.630 7.650 -6.309 1.00 10.00 C ATOM 891 C SER A 55 -1.462 8.935 -6.382 1.00 10.00 C ATOM 892 O SER A 55 -1.099 9.927 -5.749 1.00 10.00 O ATOM 893 CB SER A 55 0.384 7.620 -7.436 1.00 10.00 C ATOM 894 OG SER A 55 0.227 6.453 -8.215 1.00 10.00 O ATOM 0 H SER A 55 -0.987 5.732 -7.061 1.00 10.00 H new ATOM 0 HA SER A 55 -0.202 7.733 -5.310 1.00 10.00 H new ATOM 0 HB2 SER A 55 0.263 8.502 -8.065 1.00 10.00 H new ATOM 0 HB3 SER A 55 1.393 7.657 -7.026 1.00 10.00 H new ATOM 0 HG SER A 55 0.643 5.694 -7.755 1.00 10.00 H new ATOM 900 N GLU A 56 -2.560 8.934 -7.111 1.00 10.00 N ATOM 901 CA GLU A 56 -3.390 10.130 -7.288 1.00 10.00 C ATOM 902 C GLU A 56 -3.869 10.749 -5.972 1.00 10.00 C ATOM 903 O GLU A 56 -4.314 11.893 -5.938 1.00 10.00 O ATOM 904 CB GLU A 56 -4.619 9.752 -8.104 1.00 10.00 C ATOM 905 CG GLU A 56 -5.062 8.331 -7.834 1.00 10.00 C ATOM 906 CD GLU A 56 -6.523 8.211 -7.475 1.00 10.00 C ATOM 907 OE1 GLU A 56 -7.351 8.948 -8.037 1.00 10.00 O ATOM 908 OE2 GLU A 56 -6.842 7.347 -6.617 1.00 10.00 O ATOM 0 H GLU A 56 -2.910 8.110 -7.601 1.00 10.00 H new ATOM 0 HA GLU A 56 -2.767 10.872 -7.788 1.00 10.00 H new ATOM 0 HB2 GLU A 56 -5.434 10.437 -7.870 1.00 10.00 H new ATOM 0 HB3 GLU A 56 -4.400 9.868 -9.165 1.00 10.00 H new ATOM 0 HG2 GLU A 56 -4.862 7.723 -8.717 1.00 10.00 H new ATOM 0 HG3 GLU A 56 -4.462 7.920 -7.022 1.00 10.00 H new ATOM 915 N HIS A 57 -3.763 9.987 -4.901 1.00 10.00 N ATOM 916 CA HIS A 57 -4.228 10.423 -3.586 1.00 10.00 C ATOM 917 C HIS A 57 -3.253 11.343 -2.849 1.00 10.00 C ATOM 918 O HIS A 57 -3.661 12.062 -1.932 1.00 10.00 O ATOM 919 CB HIS A 57 -4.524 9.205 -2.724 1.00 10.00 C ATOM 920 CG HIS A 57 -5.681 8.408 -3.227 1.00 10.00 C ATOM 921 ND1 HIS A 57 -6.957 8.910 -3.378 1.00 10.00 N ATOM 922 CD2 HIS A 57 -5.730 7.119 -3.639 1.00 10.00 C ATOM 923 CE1 HIS A 57 -7.728 7.926 -3.866 1.00 10.00 C ATOM 924 NE2 HIS A 57 -7.025 6.818 -4.044 1.00 10.00 N ATOM 0 H HIS A 57 -3.355 9.052 -4.910 1.00 10.00 H new ATOM 0 HA HIS A 57 -5.128 11.012 -3.762 1.00 10.00 H new ATOM 0 HB2 HIS A 57 -3.640 8.569 -2.686 1.00 10.00 H new ATOM 0 HB3 HIS A 57 -4.728 9.529 -1.703 1.00 10.00 H new ATOM 0 HD2 HIS A 57 -4.895 6.434 -3.651 1.00 10.00 H new ATOM 0 HE1 HIS A 57 -8.781 8.025 -4.084 1.00 10.00 H new ATOM 0 HE2 HIS A 57 -7.364 5.926 -4.405 1.00 10.00 H new ATOM 932 N PHE A 58 -1.994 11.352 -3.248 1.00 10.00 N ATOM 933 CA PHE A 58 -0.997 12.185 -2.571 1.00 10.00 C ATOM 934 C PHE A 58 -0.099 12.836 -3.584 1.00 10.00 C ATOM 935 O PHE A 58 0.310 12.196 -4.554 1.00 10.00 O ATOM 936 CB PHE A 58 -0.134 11.388 -1.585 1.00 10.00 C ATOM 937 CG PHE A 58 -0.195 9.910 -1.756 1.00 10.00 C ATOM 938 CD1 PHE A 58 0.525 9.314 -2.764 1.00 10.00 C ATOM 939 CD2 PHE A 58 -0.954 9.119 -0.913 1.00 10.00 C ATOM 940 CE1 PHE A 58 0.500 7.954 -2.943 1.00 10.00 C ATOM 941 CE2 PHE A 58 -0.990 7.752 -1.082 1.00 10.00 C ATOM 942 CZ PHE A 58 -0.261 7.167 -2.098 1.00 10.00 C ATOM 0 H PHE A 58 -1.633 10.802 -4.027 1.00 10.00 H new ATOM 0 HA PHE A 58 -1.548 12.936 -2.005 1.00 10.00 H new ATOM 0 HB2 PHE A 58 0.902 11.709 -1.689 1.00 10.00 H new ATOM 0 HB3 PHE A 58 -0.444 11.635 -0.570 1.00 10.00 H new ATOM 0 HD1 PHE A 58 1.120 9.926 -3.426 1.00 10.00 H new ATOM 0 HD2 PHE A 58 -1.523 9.576 -0.117 1.00 10.00 H new ATOM 0 HE1 PHE A 58 1.071 7.501 -3.739 1.00 10.00 H new ATOM 0 HE2 PHE A 58 -1.587 7.140 -0.422 1.00 10.00 H new ATOM 0 HZ PHE A 58 -0.285 6.096 -2.233 1.00 10.00 H new ATOM 952 N THR A 59 0.109 14.132 -3.385 1.00 10.00 N ATOM 953 CA THR A 59 0.950 14.917 -4.252 1.00 10.00 C ATOM 954 C THR A 59 2.164 14.140 -4.665 1.00 10.00 C ATOM 955 O THR A 59 2.701 13.367 -3.890 1.00 10.00 O ATOM 956 CB THR A 59 1.356 16.245 -3.602 1.00 10.00 C ATOM 957 OG1 THR A 59 1.565 16.084 -2.192 1.00 10.00 O ATOM 958 CG2 THR A 59 0.278 17.278 -3.845 1.00 10.00 C ATOM 0 H THR A 59 -0.305 14.659 -2.616 1.00 10.00 H new ATOM 0 HA THR A 59 0.367 15.151 -5.143 1.00 10.00 H new ATOM 0 HB THR A 59 2.292 16.578 -4.050 1.00 10.00 H new ATOM 0 HG1 THR A 59 1.825 16.944 -1.800 1.00 10.00 H new ATOM 0 HG21 THR A 59 0.567 18.222 -3.383 1.00 10.00 H new ATOM 0 HG22 THR A 59 0.149 17.424 -4.917 1.00 10.00 H new ATOM 0 HG23 THR A 59 -0.660 16.934 -3.410 1.00 10.00 H new ATOM 966 N PRO A 60 2.560 14.269 -5.917 1.00 10.00 N ATOM 967 CA PRO A 60 3.730 13.588 -6.439 1.00 10.00 C ATOM 968 C PRO A 60 4.948 13.810 -5.571 1.00 10.00 C ATOM 969 O PRO A 60 5.796 12.935 -5.403 1.00 10.00 O ATOM 970 CB PRO A 60 3.941 14.250 -7.809 1.00 10.00 C ATOM 971 CG PRO A 60 3.031 15.437 -7.823 1.00 10.00 C ATOM 972 CD PRO A 60 1.888 15.064 -6.949 1.00 10.00 C ATOM 0 HA PRO A 60 3.589 12.508 -6.482 1.00 10.00 H new ATOM 0 HB2 PRO A 60 4.980 14.550 -7.944 1.00 10.00 H new ATOM 0 HB3 PRO A 60 3.700 13.561 -8.619 1.00 10.00 H new ATOM 0 HG2 PRO A 60 3.538 16.326 -7.449 1.00 10.00 H new ATOM 0 HG3 PRO A 60 2.695 15.663 -8.835 1.00 10.00 H new ATOM 0 HD2 PRO A 60 1.387 15.938 -6.533 1.00 10.00 H new ATOM 0 HD3 PRO A 60 1.133 14.488 -7.484 1.00 10.00 H new ATOM 980 N ASP A 61 4.951 14.972 -4.935 1.00 10.00 N ATOM 981 CA ASP A 61 5.969 15.303 -3.967 1.00 10.00 C ATOM 982 C ASP A 61 5.835 14.261 -2.865 1.00 10.00 C ATOM 983 O ASP A 61 6.801 13.602 -2.492 1.00 10.00 O ATOM 984 CB ASP A 61 5.748 16.705 -3.388 1.00 10.00 C ATOM 985 CG ASP A 61 5.199 17.686 -4.403 1.00 10.00 C ATOM 986 OD1 ASP A 61 5.996 18.291 -5.153 1.00 10.00 O ATOM 987 OD2 ASP A 61 3.964 17.855 -4.459 1.00 10.00 O ATOM 0 H ASP A 61 4.252 15.701 -5.078 1.00 10.00 H new ATOM 0 HA ASP A 61 6.959 15.302 -4.422 1.00 10.00 H new ATOM 0 HB2 ASP A 61 5.060 16.639 -2.545 1.00 10.00 H new ATOM 0 HB3 ASP A 61 6.693 17.084 -2.999 1.00 10.00 H new ATOM 992 N SER A 62 4.592 14.076 -2.399 1.00 10.00 N ATOM 993 CA SER A 62 4.248 13.228 -1.265 1.00 10.00 C ATOM 994 C SER A 62 4.105 11.753 -1.571 1.00 10.00 C ATOM 995 O SER A 62 3.747 10.962 -0.711 1.00 10.00 O ATOM 996 CB SER A 62 2.926 13.737 -0.707 1.00 10.00 C ATOM 997 OG SER A 62 3.136 14.835 0.150 1.00 10.00 O ATOM 0 H SER A 62 3.779 14.529 -2.818 1.00 10.00 H new ATOM 0 HA SER A 62 5.079 13.295 -0.563 1.00 10.00 H new ATOM 0 HB2 SER A 62 2.269 14.029 -1.526 1.00 10.00 H new ATOM 0 HB3 SER A 62 2.423 12.937 -0.164 1.00 10.00 H new ATOM 0 HG SER A 62 2.735 15.638 -0.243 1.00 10.00 H new ATOM 1003 N PHE A 63 4.441 11.420 -2.798 1.00 10.00 N ATOM 1004 CA PHE A 63 4.387 10.049 -3.301 1.00 10.00 C ATOM 1005 C PHE A 63 4.973 8.987 -2.333 1.00 10.00 C ATOM 1006 O PHE A 63 4.212 8.263 -1.698 1.00 10.00 O ATOM 1007 CB PHE A 63 5.102 9.927 -4.644 1.00 10.00 C ATOM 1008 CG PHE A 63 4.239 10.136 -5.862 1.00 10.00 C ATOM 1009 CD1 PHE A 63 2.856 10.124 -5.783 1.00 10.00 C ATOM 1010 CD2 PHE A 63 4.827 10.334 -7.100 1.00 10.00 C ATOM 1011 CE1 PHE A 63 2.081 10.304 -6.902 1.00 10.00 C ATOM 1012 CE2 PHE A 63 4.055 10.515 -8.230 1.00 10.00 C ATOM 1013 CZ PHE A 63 2.678 10.500 -8.132 1.00 10.00 C ATOM 0 H PHE A 63 4.765 12.096 -3.490 1.00 10.00 H new ATOM 0 HA PHE A 63 3.323 9.839 -3.407 1.00 10.00 H new ATOM 0 HB2 PHE A 63 5.916 10.651 -4.669 1.00 10.00 H new ATOM 0 HB3 PHE A 63 5.554 8.937 -4.706 1.00 10.00 H new ATOM 0 HD1 PHE A 63 2.380 9.971 -4.826 1.00 10.00 H new ATOM 0 HD2 PHE A 63 5.904 10.347 -7.183 1.00 10.00 H new ATOM 0 HE1 PHE A 63 1.004 10.292 -6.820 1.00 10.00 H new ATOM 0 HE2 PHE A 63 4.527 10.668 -9.189 1.00 10.00 H new ATOM 0 HZ PHE A 63 2.070 10.641 -9.013 1.00 10.00 H new ATOM 1023 N LYS A 64 6.319 8.880 -2.216 1.00 10.00 N ATOM 1024 CA LYS A 64 6.917 7.832 -1.358 1.00 10.00 C ATOM 1025 C LYS A 64 8.413 8.027 -1.074 1.00 10.00 C ATOM 1026 O LYS A 64 8.866 9.153 -0.885 1.00 10.00 O ATOM 1027 CB LYS A 64 6.702 6.484 -2.033 1.00 10.00 C ATOM 1028 CG LYS A 64 7.119 6.478 -3.492 1.00 10.00 C ATOM 1029 CD LYS A 64 7.057 5.087 -4.080 1.00 10.00 C ATOM 1030 CE LYS A 64 7.325 5.105 -5.572 1.00 10.00 C ATOM 1031 NZ LYS A 64 8.680 4.585 -5.897 1.00 10.00 N ATOM 0 H LYS A 64 6.991 9.485 -2.688 1.00 10.00 H new ATOM 0 HA LYS A 64 6.421 7.890 -0.389 1.00 10.00 H new ATOM 0 HB2 LYS A 64 7.266 5.721 -1.496 1.00 10.00 H new ATOM 0 HB3 LYS A 64 5.649 6.212 -1.961 1.00 10.00 H new ATOM 0 HG2 LYS A 64 6.469 7.144 -4.060 1.00 10.00 H new ATOM 0 HG3 LYS A 64 8.133 6.868 -3.583 1.00 10.00 H new ATOM 0 HD2 LYS A 64 7.788 4.448 -3.585 1.00 10.00 H new ATOM 0 HD3 LYS A 64 6.075 4.654 -3.890 1.00 10.00 H new ATOM 0 HE2 LYS A 64 6.573 4.504 -6.083 1.00 10.00 H new ATOM 0 HE3 LYS A 64 7.227 6.124 -5.946 1.00 10.00 H new ATOM 0 HZ1 LYS A 64 9.154 5.237 -6.554 1.00 10.00 H new ATOM 0 HZ2 LYS A 64 9.240 4.505 -5.024 1.00 10.00 H new ATOM 0 HZ3 LYS A 64 8.595 3.648 -6.341 1.00 10.00 H new ATOM 1045 N ARG A 65 9.152 6.894 -1.057 1.00 10.00 N ATOM 1046 CA ARG A 65 10.596 6.828 -0.763 1.00 10.00 C ATOM 1047 C ARG A 65 11.442 7.807 -1.567 1.00 10.00 C ATOM 1048 O ARG A 65 12.573 8.103 -1.185 1.00 10.00 O ATOM 1049 CB ARG A 65 11.117 5.393 -0.976 1.00 10.00 C ATOM 1050 CG ARG A 65 10.664 4.739 -2.276 1.00 10.00 C ATOM 1051 CD ARG A 65 10.688 3.219 -2.170 1.00 10.00 C ATOM 1052 NE ARG A 65 11.887 2.626 -2.776 1.00 10.00 N ATOM 1053 CZ ARG A 65 12.449 1.481 -2.364 1.00 10.00 C ATOM 1054 NH1 ARG A 65 11.934 0.814 -1.331 1.00 10.00 N ATOM 1055 NH2 ARG A 65 13.521 1.003 -2.998 1.00 10.00 N ATOM 0 H ARG A 65 8.747 5.979 -1.253 1.00 10.00 H new ATOM 0 HA ARG A 65 10.699 7.122 0.282 1.00 10.00 H new ATOM 0 HB2 ARG A 65 12.207 5.409 -0.953 1.00 10.00 H new ATOM 0 HB3 ARG A 65 10.790 4.774 -0.140 1.00 10.00 H new ATOM 0 HG2 ARG A 65 9.656 5.073 -2.521 1.00 10.00 H new ATOM 0 HG3 ARG A 65 11.313 5.059 -3.092 1.00 10.00 H new ATOM 0 HD2 ARG A 65 10.637 2.932 -1.120 1.00 10.00 H new ATOM 0 HD3 ARG A 65 9.801 2.811 -2.655 1.00 10.00 H new ATOM 0 HE ARG A 65 12.319 3.116 -3.559 1.00 10.00 H new ATOM 0 HH11 ARG A 65 11.109 1.175 -0.851 1.00 10.00 H new ATOM 0 HH12 ARG A 65 12.365 -0.057 -1.021 1.00 10.00 H new ATOM 0 HH21 ARG A 65 13.911 1.509 -3.794 1.00 10.00 H new ATOM 0 HH22 ARG A 65 13.951 0.132 -2.687 1.00 10.00 H new ATOM 1069 N GLU A 66 10.908 8.312 -2.666 1.00 10.00 N ATOM 1070 CA GLU A 66 11.634 9.270 -3.487 1.00 10.00 C ATOM 1071 C GLU A 66 11.592 10.651 -2.831 1.00 10.00 C ATOM 1072 O GLU A 66 12.019 11.646 -3.417 1.00 10.00 O ATOM 1073 CB GLU A 66 11.087 9.319 -4.928 1.00 10.00 C ATOM 1074 CG GLU A 66 11.576 8.173 -5.805 1.00 10.00 C ATOM 1075 CD GLU A 66 10.691 6.941 -5.725 1.00 10.00 C ATOM 1076 OE1 GLU A 66 10.015 6.743 -4.697 1.00 10.00 O ATOM 1077 OE2 GLU A 66 10.661 6.164 -6.698 1.00 10.00 O ATOM 0 H GLU A 66 9.977 8.077 -3.011 1.00 10.00 H new ATOM 0 HA GLU A 66 12.672 8.944 -3.556 1.00 10.00 H new ATOM 0 HB2 GLU A 66 9.998 9.301 -4.895 1.00 10.00 H new ATOM 0 HB3 GLU A 66 11.377 10.265 -5.386 1.00 10.00 H new ATOM 0 HG2 GLU A 66 11.625 8.511 -6.840 1.00 10.00 H new ATOM 0 HG3 GLU A 66 12.590 7.904 -5.509 1.00 10.00 H new ATOM 1084 N SER A 67 11.033 10.691 -1.619 1.00 10.00 N ATOM 1085 CA SER A 67 10.918 11.915 -0.837 1.00 10.00 C ATOM 1086 C SER A 67 12.292 12.458 -0.399 1.00 10.00 C ATOM 1087 O SER A 67 13.078 12.925 -1.217 1.00 10.00 O ATOM 1088 CB SER A 67 10.015 11.643 0.378 1.00 10.00 C ATOM 1089 OG SER A 67 10.066 12.682 1.351 1.00 10.00 O ATOM 0 H SER A 67 10.647 9.869 -1.154 1.00 10.00 H new ATOM 0 HA SER A 67 10.472 12.688 -1.462 1.00 10.00 H new ATOM 0 HB2 SER A 67 8.986 11.520 0.039 1.00 10.00 H new ATOM 0 HB3 SER A 67 10.313 10.703 0.842 1.00 10.00 H new ATOM 0 HG SER A 67 9.796 12.327 2.223 1.00 10.00 H new ATOM 1095 N ASN A 68 12.562 12.409 0.899 1.00 10.00 N ATOM 1096 CA ASN A 68 13.806 12.920 1.446 1.00 10.00 C ATOM 1097 C ASN A 68 14.802 11.808 1.726 1.00 10.00 C ATOM 1098 O ASN A 68 15.844 11.723 1.080 1.00 10.00 O ATOM 1099 CB ASN A 68 13.525 13.693 2.733 1.00 10.00 C ATOM 1100 CG ASN A 68 13.306 15.170 2.489 1.00 10.00 C ATOM 1101 OD1 ASN A 68 12.197 15.599 2.169 1.00 10.00 O ATOM 1102 ND2 ASN A 68 14.360 15.959 2.637 1.00 10.00 N ATOM 0 H ASN A 68 11.928 12.017 1.595 1.00 10.00 H new ATOM 0 HA ASN A 68 14.247 13.582 0.701 1.00 10.00 H new ATOM 0 HB2 ASN A 68 12.644 13.274 3.219 1.00 10.00 H new ATOM 0 HB3 ASN A 68 14.360 13.562 3.421 1.00 10.00 H new ATOM 0 HD21 ASN A 68 14.270 16.964 2.485 1.00 10.00 H new ATOM 0 HD22 ASN A 68 15.261 15.562 2.903 1.00 10.00 H new ATOM 1109 N ASN A 69 14.491 10.963 2.699 1.00 10.00 N ATOM 1110 CA ASN A 69 15.392 9.881 3.050 1.00 10.00 C ATOM 1111 C ASN A 69 14.912 8.523 2.508 1.00 10.00 C ATOM 1112 O ASN A 69 15.566 7.951 1.636 1.00 10.00 O ATOM 1113 CB ASN A 69 15.645 9.844 4.579 1.00 10.00 C ATOM 1114 CG ASN A 69 14.608 9.060 5.369 1.00 10.00 C ATOM 1115 OD1 ASN A 69 13.487 9.519 5.579 1.00 10.00 O ATOM 1116 ND2 ASN A 69 14.980 7.866 5.810 1.00 10.00 N ATOM 0 H ASN A 69 13.634 11.006 3.251 1.00 10.00 H new ATOM 0 HA ASN A 69 16.347 10.080 2.563 1.00 10.00 H new ATOM 0 HB2 ASN A 69 16.628 9.410 4.762 1.00 10.00 H new ATOM 0 HB3 ASN A 69 15.673 10.867 4.955 1.00 10.00 H new ATOM 0 HD21 ASN A 69 14.327 7.293 6.344 1.00 10.00 H new ATOM 0 HD22 ASN A 69 15.920 7.520 5.615 1.00 10.00 H new ATOM 1123 N LYS A 70 13.784 8.003 2.999 1.00 10.00 N ATOM 1124 CA LYS A 70 13.308 6.693 2.555 1.00 10.00 C ATOM 1125 C LYS A 70 11.784 6.559 2.545 1.00 10.00 C ATOM 1126 O LYS A 70 11.268 5.520 2.140 1.00 10.00 O ATOM 1127 CB LYS A 70 13.902 5.603 3.460 1.00 10.00 C ATOM 1128 CG LYS A 70 15.351 5.251 3.145 1.00 10.00 C ATOM 1129 CD LYS A 70 15.478 4.486 1.836 1.00 10.00 C ATOM 1130 CE LYS A 70 16.903 4.524 1.301 1.00 10.00 C ATOM 1131 NZ LYS A 70 17.342 5.914 1.004 1.00 10.00 N ATOM 0 H LYS A 70 13.193 8.461 3.693 1.00 10.00 H new ATOM 0 HA LYS A 70 13.639 6.578 1.523 1.00 10.00 H new ATOM 0 HB2 LYS A 70 13.837 5.932 4.497 1.00 10.00 H new ATOM 0 HB3 LYS A 70 13.294 4.703 3.373 1.00 10.00 H new ATOM 0 HG2 LYS A 70 15.943 6.165 3.090 1.00 10.00 H new ATOM 0 HG3 LYS A 70 15.764 4.652 3.957 1.00 10.00 H new ATOM 0 HD2 LYS A 70 15.173 3.451 1.988 1.00 10.00 H new ATOM 0 HD3 LYS A 70 14.800 4.913 1.097 1.00 10.00 H new ATOM 0 HE2 LYS A 70 17.578 4.077 2.031 1.00 10.00 H new ATOM 0 HE3 LYS A 70 16.968 3.920 0.396 1.00 10.00 H new ATOM 0 HZ1 LYS A 70 17.681 5.969 0.022 1.00 10.00 H new ATOM 0 HZ2 LYS A 70 16.541 6.565 1.130 1.00 10.00 H new ATOM 0 HZ3 LYS A 70 18.111 6.181 1.651 1.00 10.00 H new ATOM 1145 N LEU A 71 11.055 7.582 2.970 1.00 10.00 N ATOM 1146 CA LEU A 71 9.593 7.474 3.017 1.00 10.00 C ATOM 1147 C LEU A 71 8.927 8.781 2.582 1.00 10.00 C ATOM 1148 O LEU A 71 9.562 9.563 1.918 1.00 10.00 O ATOM 1149 CB LEU A 71 9.173 7.052 4.429 1.00 10.00 C ATOM 1150 CG LEU A 71 8.065 6.010 4.477 1.00 10.00 C ATOM 1151 CD1 LEU A 71 6.974 6.448 5.429 1.00 10.00 C ATOM 1152 CD2 LEU A 71 7.520 5.763 3.077 1.00 10.00 C ATOM 0 H LEU A 71 11.434 8.477 3.281 1.00 10.00 H new ATOM 0 HA LEU A 71 9.258 6.713 2.312 1.00 10.00 H new ATOM 0 HB2 LEU A 71 10.046 6.659 4.951 1.00 10.00 H new ATOM 0 HB3 LEU A 71 8.846 7.936 4.976 1.00 10.00 H new ATOM 0 HG LEU A 71 8.471 5.070 4.850 1.00 10.00 H new ATOM 0 HD11 LEU A 71 6.188 5.693 5.453 1.00 10.00 H new ATOM 0 HD12 LEU A 71 7.391 6.570 6.429 1.00 10.00 H new ATOM 0 HD13 LEU A 71 6.556 7.396 5.092 1.00 10.00 H new ATOM 0 HD21 LEU A 71 6.728 5.016 3.122 1.00 10.00 H new ATOM 0 HD22 LEU A 71 7.120 6.693 2.673 1.00 10.00 H new ATOM 0 HD23 LEU A 71 8.322 5.403 2.433 1.00 10.00 H new ATOM 1164 N LEU A 72 7.646 9.013 2.959 1.00 10.00 N ATOM 1165 CA LEU A 72 6.926 10.227 2.526 1.00 10.00 C ATOM 1166 C LEU A 72 7.488 11.446 3.221 1.00 10.00 C ATOM 1167 O LEU A 72 8.530 11.432 3.881 1.00 10.00 O ATOM 1168 CB LEU A 72 5.410 10.124 2.677 1.00 10.00 C ATOM 1169 CG LEU A 72 4.804 8.777 2.258 1.00 10.00 C ATOM 1170 CD1 LEU A 72 4.671 7.844 3.438 1.00 10.00 C ATOM 1171 CD2 LEU A 72 3.452 8.972 1.616 1.00 10.00 C ATOM 0 H LEU A 72 7.102 8.386 3.551 1.00 10.00 H new ATOM 0 HA LEU A 72 7.094 10.332 1.454 1.00 10.00 H new ATOM 0 HB2 LEU A 72 5.150 10.313 3.719 1.00 10.00 H new ATOM 0 HB3 LEU A 72 4.947 10.913 2.085 1.00 10.00 H new ATOM 0 HG LEU A 72 5.483 8.329 1.533 1.00 10.00 H new ATOM 0 HD11 LEU A 72 4.239 6.899 3.108 1.00 10.00 H new ATOM 0 HD12 LEU A 72 5.655 7.662 3.870 1.00 10.00 H new ATOM 0 HD13 LEU A 72 4.023 8.297 4.189 1.00 10.00 H new ATOM 0 HD21 LEU A 72 3.043 8.004 1.328 1.00 10.00 H new ATOM 0 HD22 LEU A 72 2.779 9.454 2.325 1.00 10.00 H new ATOM 0 HD23 LEU A 72 3.557 9.600 0.731 1.00 10.00 H new ATOM 1183 N LYS A 73 6.702 12.507 3.064 1.00 10.00 N ATOM 1184 CA LYS A 73 6.918 13.755 3.756 1.00 10.00 C ATOM 1185 C LYS A 73 6.132 13.637 5.041 1.00 10.00 C ATOM 1186 O LYS A 73 4.915 13.668 5.008 1.00 10.00 O ATOM 1187 CB LYS A 73 6.422 14.999 3.000 1.00 10.00 C ATOM 1188 CG LYS A 73 7.012 15.208 1.624 1.00 10.00 C ATOM 1189 CD LYS A 73 6.430 14.223 0.649 1.00 10.00 C ATOM 1190 CE LYS A 73 7.443 13.182 0.256 1.00 10.00 C ATOM 1191 NZ LYS A 73 6.819 11.965 -0.335 1.00 10.00 N ATOM 0 H LYS A 73 5.892 12.516 2.445 1.00 10.00 H new ATOM 0 HA LYS A 73 7.990 13.900 3.886 1.00 10.00 H new ATOM 0 HB2 LYS A 73 5.338 14.935 2.905 1.00 10.00 H new ATOM 0 HB3 LYS A 73 6.638 15.879 3.605 1.00 10.00 H new ATOM 0 HG2 LYS A 73 6.812 16.225 1.286 1.00 10.00 H new ATOM 0 HG3 LYS A 73 8.095 15.093 1.664 1.00 10.00 H new ATOM 0 HD2 LYS A 73 5.560 13.738 1.093 1.00 10.00 H new ATOM 0 HD3 LYS A 73 6.082 14.749 -0.240 1.00 10.00 H new ATOM 0 HE2 LYS A 73 8.140 13.613 -0.462 1.00 10.00 H new ATOM 0 HE3 LYS A 73 8.024 12.898 1.133 1.00 10.00 H new ATOM 0 HZ1 LYS A 73 7.509 11.187 -0.337 1.00 10.00 H new ATOM 0 HZ2 LYS A 73 5.990 11.691 0.230 1.00 10.00 H new ATOM 0 HZ3 LYS A 73 6.522 12.166 -1.311 1.00 10.00 H new ATOM 1205 N GLU A 74 6.804 13.387 6.120 1.00 10.00 N ATOM 1206 CA GLU A 74 6.186 13.227 7.436 1.00 10.00 C ATOM 1207 C GLU A 74 5.151 14.300 7.829 1.00 10.00 C ATOM 1208 O GLU A 74 4.385 14.145 8.781 1.00 10.00 O ATOM 1209 CB GLU A 74 7.308 13.239 8.459 1.00 10.00 C ATOM 1210 CG GLU A 74 6.873 13.506 9.888 1.00 10.00 C ATOM 1211 CD GLU A 74 7.824 12.911 10.897 1.00 10.00 C ATOM 1212 OE1 GLU A 74 7.788 11.679 11.085 1.00 10.00 O ATOM 1213 OE2 GLU A 74 8.617 13.658 11.494 1.00 10.00 O ATOM 0 H GLU A 74 7.819 13.283 6.131 1.00 10.00 H new ATOM 0 HA GLU A 74 5.624 12.294 7.403 1.00 10.00 H new ATOM 0 HB2 GLU A 74 7.820 12.277 8.425 1.00 10.00 H new ATOM 0 HB3 GLU A 74 8.035 13.998 8.169 1.00 10.00 H new ATOM 0 HG2 GLU A 74 6.802 14.582 10.049 1.00 10.00 H new ATOM 0 HG3 GLU A 74 5.876 13.094 10.045 1.00 10.00 H new ATOM 1220 N ASN A 75 5.090 15.341 7.040 1.00 10.00 N ATOM 1221 CA ASN A 75 4.098 16.395 7.232 1.00 10.00 C ATOM 1222 C ASN A 75 3.026 16.382 6.126 1.00 10.00 C ATOM 1223 O ASN A 75 2.330 17.374 5.911 1.00 10.00 O ATOM 1224 CB ASN A 75 4.775 17.746 7.266 1.00 10.00 C ATOM 1225 CG ASN A 75 4.989 18.243 8.683 1.00 10.00 C ATOM 1226 OD1 ASN A 75 5.003 19.447 8.930 1.00 10.00 O ATOM 1227 ND2 ASN A 75 5.160 17.322 9.623 1.00 10.00 N ATOM 0 H ASN A 75 5.716 15.492 6.249 1.00 10.00 H new ATOM 0 HA ASN A 75 3.602 16.207 8.184 1.00 10.00 H new ATOM 0 HB2 ASN A 75 5.736 17.682 6.756 1.00 10.00 H new ATOM 0 HB3 ASN A 75 4.170 18.468 6.717 1.00 10.00 H new ATOM 0 HD21 ASN A 75 5.310 17.604 10.592 1.00 10.00 H new ATOM 0 HD22 ASN A 75 5.142 16.332 9.377 1.00 10.00 H new ATOM 1234 N ALA A 76 2.916 15.262 5.433 1.00 10.00 N ATOM 1235 CA ALA A 76 1.950 15.077 4.327 1.00 10.00 C ATOM 1236 C ALA A 76 1.368 13.679 4.348 1.00 10.00 C ATOM 1237 O ALA A 76 1.989 12.683 4.724 1.00 10.00 O ATOM 1238 CB ALA A 76 2.628 15.276 2.974 1.00 10.00 C ATOM 0 H ALA A 76 3.492 14.440 5.612 1.00 10.00 H new ATOM 0 HA ALA A 76 1.161 15.816 4.466 1.00 10.00 H new ATOM 0 HB1 ALA A 76 1.898 15.135 2.177 1.00 10.00 H new ATOM 0 HB2 ALA A 76 3.037 16.285 2.917 1.00 10.00 H new ATOM 0 HB3 ALA A 76 3.434 14.551 2.861 1.00 10.00 H new ATOM 1244 N VAL A 77 0.114 13.697 3.885 1.00 10.00 N ATOM 1245 CA VAL A 77 -0.794 12.562 3.817 1.00 10.00 C ATOM 1246 C VAL A 77 -1.795 12.791 2.673 1.00 10.00 C ATOM 1247 O VAL A 77 -2.077 13.942 2.330 1.00 10.00 O ATOM 1248 CB VAL A 77 -1.567 12.452 5.178 1.00 10.00 C ATOM 1249 CG1 VAL A 77 -1.691 13.812 5.861 1.00 10.00 C ATOM 1250 CG2 VAL A 77 -2.956 11.847 5.017 1.00 10.00 C ATOM 0 H VAL A 77 -0.312 14.553 3.530 1.00 10.00 H new ATOM 0 HA VAL A 77 -0.238 11.643 3.635 1.00 10.00 H new ATOM 0 HB VAL A 77 -0.974 11.783 5.802 1.00 10.00 H new ATOM 0 HG11 VAL A 77 -2.232 13.699 6.801 1.00 10.00 H new ATOM 0 HG12 VAL A 77 -0.696 14.211 6.060 1.00 10.00 H new ATOM 0 HG13 VAL A 77 -2.234 14.498 5.210 1.00 10.00 H new ATOM 0 HG21 VAL A 77 -3.445 11.795 5.990 1.00 10.00 H new ATOM 0 HG22 VAL A 77 -3.548 12.469 4.346 1.00 10.00 H new ATOM 0 HG23 VAL A 77 -2.870 10.844 4.600 1.00 10.00 H new ATOM 1260 N PRO A 78 -2.290 11.706 2.034 1.00 10.00 N ATOM 1261 CA PRO A 78 -3.305 11.772 0.968 1.00 10.00 C ATOM 1262 C PRO A 78 -4.403 12.737 1.396 1.00 10.00 C ATOM 1263 O PRO A 78 -5.031 12.599 2.445 1.00 10.00 O ATOM 1264 CB PRO A 78 -3.813 10.326 0.859 1.00 10.00 C ATOM 1265 CG PRO A 78 -3.112 9.558 1.929 1.00 10.00 C ATOM 1266 CD PRO A 78 -1.888 10.344 2.302 1.00 10.00 C ATOM 0 HA PRO A 78 -2.933 12.134 0.010 1.00 10.00 H new ATOM 0 HB2 PRO A 78 -4.894 10.282 0.992 1.00 10.00 H new ATOM 0 HB3 PRO A 78 -3.596 9.910 -0.125 1.00 10.00 H new ATOM 0 HG2 PRO A 78 -3.761 9.421 2.794 1.00 10.00 H new ATOM 0 HG3 PRO A 78 -2.839 8.564 1.575 1.00 10.00 H new ATOM 0 HD2 PRO A 78 -1.618 10.200 3.348 1.00 10.00 H new ATOM 0 HD3 PRO A 78 -1.023 10.053 1.706 1.00 10.00 H new ATOM 1274 N THR A 79 -4.625 13.709 0.529 1.00 10.00 N ATOM 1275 CA THR A 79 -5.660 14.706 0.705 1.00 10.00 C ATOM 1276 C THR A 79 -6.582 14.728 -0.518 1.00 10.00 C ATOM 1277 O THR A 79 -7.663 15.313 -0.490 1.00 10.00 O ATOM 1278 CB THR A 79 -5.064 16.104 0.878 1.00 10.00 C ATOM 1279 OG1 THR A 79 -4.136 16.363 -0.188 1.00 10.00 O ATOM 1280 CG2 THR A 79 -4.355 16.255 2.210 1.00 10.00 C ATOM 0 H THR A 79 -4.083 13.827 -0.327 1.00 10.00 H new ATOM 0 HA THR A 79 -6.219 14.439 1.602 1.00 10.00 H new ATOM 0 HB THR A 79 -5.884 16.822 0.852 1.00 10.00 H new ATOM 0 HG1 THR A 79 -3.755 17.259 -0.079 1.00 10.00 H new ATOM 0 HG21 THR A 79 -3.946 17.262 2.293 1.00 10.00 H new ATOM 0 HG22 THR A 79 -5.063 16.083 3.021 1.00 10.00 H new ATOM 0 HG23 THR A 79 -3.545 15.528 2.276 1.00 10.00 H new ATOM 1288 N ILE A 80 -6.148 14.049 -1.577 1.00 10.00 N ATOM 1289 CA ILE A 80 -6.833 14.045 -2.872 1.00 10.00 C ATOM 1290 C ILE A 80 -7.865 12.909 -2.985 1.00 10.00 C ATOM 1291 O ILE A 80 -8.375 12.634 -4.070 1.00 10.00 O ATOM 1292 CB ILE A 80 -5.802 13.867 -4.015 1.00 10.00 C ATOM 1293 CG1 ILE A 80 -4.518 14.666 -3.739 1.00 10.00 C ATOM 1294 CG2 ILE A 80 -6.408 14.245 -5.361 1.00 10.00 C ATOM 1295 CD1 ILE A 80 -4.566 16.103 -4.194 1.00 10.00 C ATOM 0 H ILE A 80 -5.302 13.479 -1.562 1.00 10.00 H new ATOM 0 HA ILE A 80 -7.352 15.000 -2.954 1.00 10.00 H new ATOM 0 HB ILE A 80 -5.530 12.812 -4.055 1.00 10.00 H new ATOM 0 HG12 ILE A 80 -4.314 14.644 -2.668 1.00 10.00 H new ATOM 0 HG13 ILE A 80 -3.683 14.169 -4.233 1.00 10.00 H new ATOM 0 HG21 ILE A 80 -5.663 14.111 -6.146 1.00 10.00 H new ATOM 0 HG22 ILE A 80 -7.268 13.608 -5.564 1.00 10.00 H new ATOM 0 HG23 ILE A 80 -6.726 15.287 -5.337 1.00 10.00 H new ATOM 0 HD11 ILE A 80 -3.620 16.591 -3.960 1.00 10.00 H new ATOM 0 HD12 ILE A 80 -4.736 16.138 -5.270 1.00 10.00 H new ATOM 0 HD13 ILE A 80 -5.377 16.620 -3.681 1.00 10.00 H new ATOM 1307 N PHE A 81 -8.131 12.227 -1.871 1.00 10.00 N ATOM 1308 CA PHE A 81 -9.053 11.075 -1.841 1.00 10.00 C ATOM 1309 C PHE A 81 -10.292 11.236 -2.720 1.00 10.00 C ATOM 1310 O PHE A 81 -10.686 10.279 -3.384 1.00 10.00 O ATOM 1311 CB PHE A 81 -9.465 10.744 -0.407 1.00 10.00 C ATOM 1312 CG PHE A 81 -8.546 9.747 0.240 1.00 10.00 C ATOM 1313 CD1 PHE A 81 -7.280 9.528 -0.271 1.00 10.00 C ATOM 1314 CD2 PHE A 81 -8.951 9.012 1.339 1.00 10.00 C ATOM 1315 CE1 PHE A 81 -6.436 8.600 0.296 1.00 10.00 C ATOM 1316 CE2 PHE A 81 -8.106 8.083 1.914 1.00 10.00 C ATOM 1317 CZ PHE A 81 -6.845 7.876 1.388 1.00 10.00 C ATOM 0 H PHE A 81 -7.720 12.450 -0.965 1.00 10.00 H new ATOM 0 HA PHE A 81 -8.488 10.245 -2.266 1.00 10.00 H new ATOM 0 HB2 PHE A 81 -9.477 11.659 0.185 1.00 10.00 H new ATOM 0 HB3 PHE A 81 -10.481 10.350 -0.406 1.00 10.00 H new ATOM 0 HD1 PHE A 81 -6.948 10.094 -1.129 1.00 10.00 H new ATOM 0 HD2 PHE A 81 -9.937 9.166 1.752 1.00 10.00 H new ATOM 0 HE1 PHE A 81 -5.451 8.442 -0.119 1.00 10.00 H new ATOM 0 HE2 PHE A 81 -8.431 7.518 2.775 1.00 10.00 H new ATOM 0 HZ PHE A 81 -6.184 7.148 1.834 1.00 10.00 H new ATOM 1327 N LEU A 82 -10.890 12.419 -2.740 1.00 10.00 N ATOM 1328 CA LEU A 82 -12.072 12.653 -3.565 1.00 10.00 C ATOM 1329 C LEU A 82 -12.385 14.148 -3.644 1.00 10.00 C ATOM 1330 O LEU A 82 -11.758 14.960 -2.965 1.00 10.00 O ATOM 1331 CB LEU A 82 -13.273 11.896 -2.990 1.00 10.00 C ATOM 1332 CG LEU A 82 -13.804 10.689 -3.801 1.00 10.00 C ATOM 1333 CD1 LEU A 82 -15.314 10.775 -3.942 1.00 10.00 C ATOM 1334 CD2 LEU A 82 -13.161 10.569 -5.183 1.00 10.00 C ATOM 0 H LEU A 82 -10.581 13.227 -2.200 1.00 10.00 H new ATOM 0 HA LEU A 82 -11.869 12.287 -4.571 1.00 10.00 H new ATOM 0 HB2 LEU A 82 -13.004 11.542 -1.995 1.00 10.00 H new ATOM 0 HB3 LEU A 82 -14.091 12.605 -2.866 1.00 10.00 H new ATOM 0 HG LEU A 82 -13.532 9.794 -3.242 1.00 10.00 H new ATOM 0 HD11 LEU A 82 -15.675 9.921 -4.514 1.00 10.00 H new ATOM 0 HD12 LEU A 82 -15.773 10.770 -2.953 1.00 10.00 H new ATOM 0 HD13 LEU A 82 -15.579 11.697 -4.460 1.00 10.00 H new ATOM 0 HD21 LEU A 82 -13.574 9.704 -5.703 1.00 10.00 H new ATOM 0 HD22 LEU A 82 -13.366 11.471 -5.759 1.00 10.00 H new ATOM 0 HD23 LEU A 82 -12.084 10.446 -5.074 1.00 10.00 H new