USER MOD reduce.3.24.130724 H: found=0, std=0, add=506, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 497 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 31 GLN : amide:sc= -0.132 K(o=4.7,f=-1.2!) USER MOD Set 1.2: A 33 TYR OH : rot 170:sc= 2.43 USER MOD Set 1.3: A 70 LYS NZ :NH3+ -166:sc= 2.39 (180deg=1.03) USER MOD Set 2.1: A 24 CYS SG : rot -54:sc= 0.751 USER MOD Set 2.2: A 26 HIS : no HE2:sc= 0.655 K(o=1.4,f=-4.5!) USER MOD Set 3.1: A 1 ALA N :NH3+ -144:sc= 1.43! (180deg=-1.18) USER MOD Set 3.2: A 39 CYS SG : rot 150:sc= -0.941 USER MOD Single : A 2 TYR OH : rot -86:sc= 1.32 USER MOD Single : A 5 THR OG1 : rot -59:sc= 1.2 USER MOD Single : A 8 CYS SG : rot -22:sc= -0.276 USER MOD Single : A 16 CYS SG : rot 180:sc= -0.0881 USER MOD Single : A 20 CYS SG : rot 180:sc= 0.0603 USER MOD Single : A 32 TYR OH : rot -145:sc= 1.29 USER MOD Single : A 42 CYS SG : rot 170:sc= -0.0947 USER MOD Single : A 45 CYS SG : rot 180:sc= -0.0938 USER MOD Single : A 49 CYS SG : rot 110:sc= -0.427 USER MOD Single : A 52 SER OG : rot -63:sc= 1.2 USER MOD Single : A 55 TYR OH : rot 72:sc= 1.15 USER MOD Single : A 56 HIS : no HD1:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 65 LYS NZ :NH3+ -169:sc= 3.59 (180deg=3.35) USER MOD Single : A 66 SER OG : rot 105:sc= 1.18 USER MOD Single : A 67 TYR OH : rot 167:sc= 1.25 USER MOD Single : A 69 GLN : amide:sc= 0.686 K(o=0.69,f=0) USER MOD Single : A 71 ASN : amide:sc= -1.17 K(o=-1.2,f=-4.8!) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -0.652 -3.472 9.054 1.00 0.00 N ATOM 2 CA ALA A 1 -0.642 -3.456 7.590 1.00 0.00 C ATOM 3 C ALA A 1 -1.922 -2.998 6.892 1.00 0.00 C ATOM 4 O ALA A 1 -2.860 -3.754 6.637 1.00 0.00 O ATOM 5 CB ALA A 1 -0.015 -4.697 6.997 1.00 0.00 C ATOM 0 H1 ALA A 1 0.285 -3.194 9.411 1.00 0.00 H new ATOM 0 H2 ALA A 1 -1.368 -2.803 9.404 1.00 0.00 H new ATOM 0 H3 ALA A 1 -0.880 -4.430 9.389 1.00 0.00 H new ATOM 0 HA ALA A 1 0.027 -2.628 7.355 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -0.035 -4.630 5.909 1.00 0.00 H new ATOM 0 HB2 ALA A 1 1.017 -4.781 7.337 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -0.575 -5.576 7.317 1.00 0.00 H new ATOM 12 N TYR A 2 -1.853 -1.739 6.473 1.00 0.00 N ATOM 13 CA TYR A 2 -2.550 -1.152 5.361 1.00 0.00 C ATOM 14 C TYR A 2 -1.665 -1.367 4.140 1.00 0.00 C ATOM 15 O TYR A 2 -0.483 -1.028 4.169 1.00 0.00 O ATOM 16 CB TYR A 2 -2.725 0.321 5.697 1.00 0.00 C ATOM 17 CG TYR A 2 -3.959 0.580 6.522 1.00 0.00 C ATOM 18 CD1 TYR A 2 -5.214 0.588 5.889 1.00 0.00 C ATOM 19 CD2 TYR A 2 -3.861 0.883 7.891 1.00 0.00 C ATOM 20 CE1 TYR A 2 -6.337 1.074 6.576 1.00 0.00 C ATOM 21 CE2 TYR A 2 -4.977 1.407 8.563 1.00 0.00 C ATOM 22 CZ TYR A 2 -6.178 1.610 7.864 1.00 0.00 C ATOM 23 OH TYR A 2 -7.063 2.541 8.310 1.00 0.00 O ATOM 0 H TYR A 2 -1.259 -1.059 6.947 1.00 0.00 H new ATOM 0 HA TYR A 2 -3.531 -1.584 5.162 1.00 0.00 H new ATOM 0 HB2 TYR A 2 -1.848 0.674 6.240 1.00 0.00 H new ATOM 0 HB3 TYR A 2 -2.781 0.897 4.773 1.00 0.00 H new ATOM 0 HD1 TYR A 2 -5.314 0.222 4.878 1.00 0.00 H new ATOM 0 HD2 TYR A 2 -2.935 0.714 8.421 1.00 0.00 H new ATOM 0 HE1 TYR A 2 -7.314 1.036 6.118 1.00 0.00 H new ATOM 0 HE2 TYR A 2 -4.912 1.653 9.613 1.00 0.00 H new ATOM 0 HH TYR A 2 -6.781 3.431 8.011 1.00 0.00 H new ATOM 33 N VAL A 3 -2.216 -2.005 3.110 1.00 0.00 N ATOM 34 CA VAL A 3 -1.473 -2.544 1.982 1.00 0.00 C ATOM 35 C VAL A 3 -2.120 -2.089 0.681 1.00 0.00 C ATOM 36 O VAL A 3 -3.273 -1.672 0.640 1.00 0.00 O ATOM 37 CB VAL A 3 -1.416 -4.076 2.090 1.00 0.00 C ATOM 38 CG1 VAL A 3 -0.252 -4.647 1.268 1.00 0.00 C ATOM 39 CG2 VAL A 3 -1.267 -4.556 3.539 1.00 0.00 C ATOM 0 H VAL A 3 -3.221 -2.164 3.039 1.00 0.00 H new ATOM 0 HA VAL A 3 -0.449 -2.171 1.992 1.00 0.00 H new ATOM 0 HB VAL A 3 -2.366 -4.438 1.696 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -0.237 -5.733 1.364 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -0.380 -4.377 0.220 1.00 0.00 H new ATOM 0 HG13 VAL A 3 0.689 -4.237 1.636 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -1.232 -5.645 3.560 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -0.346 -4.155 3.962 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -2.117 -4.209 4.126 1.00 0.00 H new ATOM 49 N ILE A 4 -1.344 -2.132 -0.394 1.00 0.00 N ATOM 50 CA ILE A 4 -1.765 -1.655 -1.693 1.00 0.00 C ATOM 51 C ILE A 4 -2.978 -2.436 -2.215 1.00 0.00 C ATOM 52 O ILE A 4 -3.181 -3.589 -1.837 1.00 0.00 O ATOM 53 CB ILE A 4 -0.552 -1.811 -2.635 1.00 0.00 C ATOM 54 CG1 ILE A 4 -0.464 -0.677 -3.662 1.00 0.00 C ATOM 55 CG2 ILE A 4 -0.550 -3.172 -3.321 1.00 0.00 C ATOM 56 CD1 ILE A 4 0.004 0.616 -2.991 1.00 0.00 C ATOM 0 H ILE A 4 -0.395 -2.504 -0.382 1.00 0.00 H new ATOM 0 HA ILE A 4 -2.082 -0.614 -1.635 1.00 0.00 H new ATOM 0 HB ILE A 4 0.339 -1.747 -2.010 1.00 0.00 H new ATOM 0 HG12 ILE A 4 0.228 -0.952 -4.458 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -1.438 -0.521 -4.126 1.00 0.00 H new ATOM 0 HG21 ILE A 4 0.317 -3.248 -3.977 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -0.506 -3.959 -2.568 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -1.461 -3.284 -3.910 1.00 0.00 H new ATOM 0 HD11 ILE A 4 0.061 1.411 -3.734 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -0.704 0.898 -2.211 1.00 0.00 H new ATOM 0 HD13 ILE A 4 0.988 0.461 -2.549 1.00 0.00 H new ATOM 68 N THR A 5 -3.710 -1.860 -3.175 1.00 0.00 N ATOM 69 CA THR A 5 -4.519 -2.631 -4.101 1.00 0.00 C ATOM 70 C THR A 5 -4.422 -2.033 -5.504 1.00 0.00 C ATOM 71 O THR A 5 -3.979 -0.897 -5.690 1.00 0.00 O ATOM 72 CB THR A 5 -5.988 -2.694 -3.658 1.00 0.00 C ATOM 73 OG1 THR A 5 -6.536 -1.404 -3.536 1.00 0.00 O ATOM 74 CG2 THR A 5 -6.191 -3.457 -2.355 1.00 0.00 C ATOM 0 H THR A 5 -3.753 -0.852 -3.324 1.00 0.00 H new ATOM 0 HA THR A 5 -4.131 -3.650 -4.111 1.00 0.00 H new ATOM 0 HB THR A 5 -6.509 -3.243 -4.443 1.00 0.00 H new ATOM 0 HG1 THR A 5 -6.024 -0.892 -2.876 1.00 0.00 H new ATOM 0 HG21 THR A 5 -7.250 -3.464 -2.099 1.00 0.00 H new ATOM 0 HG22 THR A 5 -5.840 -4.482 -2.475 1.00 0.00 H new ATOM 0 HG23 THR A 5 -5.628 -2.972 -1.558 1.00 0.00 H new ATOM 82 N GLU A 6 -4.895 -2.831 -6.464 1.00 0.00 N ATOM 83 CA GLU A 6 -5.189 -2.512 -7.851 1.00 0.00 C ATOM 84 C GLU A 6 -5.298 -1.012 -8.194 1.00 0.00 C ATOM 85 O GLU A 6 -4.533 -0.550 -9.036 1.00 0.00 O ATOM 86 CB GLU A 6 -6.404 -3.345 -8.248 1.00 0.00 C ATOM 87 CG GLU A 6 -6.807 -3.275 -9.721 1.00 0.00 C ATOM 88 CD GLU A 6 -5.959 -4.180 -10.615 1.00 0.00 C ATOM 89 OE1 GLU A 6 -4.929 -4.695 -10.120 1.00 0.00 O ATOM 90 OE2 GLU A 6 -6.359 -4.346 -11.784 1.00 0.00 O ATOM 0 H GLU A 6 -5.099 -3.810 -6.263 1.00 0.00 H new ATOM 0 HA GLU A 6 -4.327 -2.780 -8.463 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -6.205 -4.386 -7.994 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -7.253 -3.026 -7.643 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -7.856 -3.556 -9.819 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -6.719 -2.245 -10.068 1.00 0.00 H new ATOM 97 N PRO A 7 -6.209 -0.217 -7.602 1.00 0.00 N ATOM 98 CA PRO A 7 -6.353 1.194 -7.945 1.00 0.00 C ATOM 99 C PRO A 7 -5.066 2.036 -7.929 1.00 0.00 C ATOM 100 O PRO A 7 -5.036 3.067 -8.598 1.00 0.00 O ATOM 101 CB PRO A 7 -7.443 1.767 -7.030 1.00 0.00 C ATOM 102 CG PRO A 7 -7.736 0.660 -6.016 1.00 0.00 C ATOM 103 CD PRO A 7 -7.302 -0.614 -6.730 1.00 0.00 C ATOM 0 HA PRO A 7 -6.634 1.251 -8.997 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -7.103 2.676 -6.534 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -8.336 2.028 -7.597 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -7.180 0.809 -5.090 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -8.793 0.630 -5.752 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -6.980 -1.373 -6.017 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -8.125 -1.043 -7.302 1.00 0.00 H new ATOM 111 N CYS A 8 -4.007 1.642 -7.208 1.00 0.00 N ATOM 112 CA CYS A 8 -2.742 2.375 -7.275 1.00 0.00 C ATOM 113 C CYS A 8 -2.096 2.276 -8.671 1.00 0.00 C ATOM 114 O CYS A 8 -1.360 3.177 -9.077 1.00 0.00 O ATOM 115 CB CYS A 8 -1.792 1.885 -6.208 1.00 0.00 C ATOM 116 SG CYS A 8 -0.163 2.698 -6.186 1.00 0.00 S ATOM 0 H CYS A 8 -4.002 0.835 -6.584 1.00 0.00 H new ATOM 0 HA CYS A 8 -2.959 3.428 -7.093 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -2.262 2.023 -5.234 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -1.643 0.813 -6.341 1.00 0.00 H new ATOM 0 HG CYS A 8 0.074 3.226 -7.350 1.00 0.00 H new ATOM 121 N ILE A 9 -2.329 1.191 -9.420 1.00 0.00 N ATOM 122 CA ILE A 9 -1.563 0.882 -10.609 1.00 0.00 C ATOM 123 C ILE A 9 -1.593 2.070 -11.578 1.00 0.00 C ATOM 124 O ILE A 9 -2.660 2.526 -11.986 1.00 0.00 O ATOM 125 CB ILE A 9 -2.089 -0.411 -11.257 1.00 0.00 C ATOM 126 CG1 ILE A 9 -2.079 -1.691 -10.384 1.00 0.00 C ATOM 127 CG2 ILE A 9 -1.284 -0.706 -12.536 1.00 0.00 C ATOM 128 CD1 ILE A 9 -1.551 -1.598 -8.948 1.00 0.00 C ATOM 0 H ILE A 9 -3.057 0.509 -9.209 1.00 0.00 H new ATOM 0 HA ILE A 9 -0.522 0.709 -10.338 1.00 0.00 H new ATOM 0 HB ILE A 9 -3.141 -0.196 -11.443 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -3.101 -2.067 -10.337 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -1.487 -2.443 -10.906 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -1.655 -1.622 -12.996 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -1.395 0.123 -13.235 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -0.231 -0.828 -12.283 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -1.612 -2.578 -8.474 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -0.513 -1.266 -8.963 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -2.152 -0.884 -8.385 1.00 0.00 H new ATOM 140 N GLY A 10 -0.415 2.577 -11.937 1.00 0.00 N ATOM 141 CA GLY A 10 -0.261 3.632 -12.921 1.00 0.00 C ATOM 142 C GLY A 10 -0.554 5.035 -12.385 1.00 0.00 C ATOM 143 O GLY A 10 -0.503 5.984 -13.163 1.00 0.00 O ATOM 0 H GLY A 10 0.470 2.257 -11.543 1.00 0.00 H new ATOM 0 HA2 GLY A 10 0.758 3.608 -13.307 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -0.925 3.430 -13.761 1.00 0.00 H new ATOM 216 N CYS A 16 1.621 9.154 -0.760 1.00 0.00 N ATOM 217 CA CYS A 16 1.858 8.137 0.256 1.00 0.00 C ATOM 218 C CYS A 16 3.327 8.072 0.702 1.00 0.00 C ATOM 219 O CYS A 16 3.609 8.011 1.898 1.00 0.00 O ATOM 220 CB CYS A 16 1.339 6.797 -0.206 1.00 0.00 C ATOM 221 SG CYS A 16 2.124 6.078 -1.678 1.00 0.00 S ATOM 0 HA CYS A 16 1.298 8.426 1.145 1.00 0.00 H new ATOM 0 HB2 CYS A 16 1.446 6.089 0.616 1.00 0.00 H new ATOM 0 HB3 CYS A 16 0.272 6.896 -0.404 1.00 0.00 H new ATOM 0 HG CYS A 16 1.573 4.932 -1.947 1.00 0.00 H new ATOM 226 N VAL A 17 4.277 8.061 -0.236 1.00 0.00 N ATOM 227 CA VAL A 17 5.669 7.716 0.063 1.00 0.00 C ATOM 228 C VAL A 17 6.267 8.524 1.224 1.00 0.00 C ATOM 229 O VAL A 17 6.922 7.952 2.093 1.00 0.00 O ATOM 230 CB VAL A 17 6.530 7.732 -1.215 1.00 0.00 C ATOM 231 CG1 VAL A 17 6.662 9.120 -1.846 1.00 0.00 C ATOM 232 CG2 VAL A 17 7.935 7.173 -0.955 1.00 0.00 C ATOM 0 H VAL A 17 4.106 8.289 -1.215 1.00 0.00 H new ATOM 0 HA VAL A 17 5.672 6.690 0.432 1.00 0.00 H new ATOM 0 HB VAL A 17 5.998 7.093 -1.919 1.00 0.00 H new ATOM 0 HG11 VAL A 17 7.281 9.055 -2.741 1.00 0.00 H new ATOM 0 HG12 VAL A 17 5.674 9.493 -2.115 1.00 0.00 H new ATOM 0 HG13 VAL A 17 7.126 9.801 -1.133 1.00 0.00 H new ATOM 0 HG21 VAL A 17 8.514 7.200 -1.878 1.00 0.00 H new ATOM 0 HG22 VAL A 17 8.433 7.778 -0.197 1.00 0.00 H new ATOM 0 HG23 VAL A 17 7.858 6.144 -0.605 1.00 0.00 H new ATOM 242 N GLU A 18 6.053 9.842 1.257 1.00 0.00 N ATOM 243 CA GLU A 18 6.697 10.695 2.247 1.00 0.00 C ATOM 244 C GLU A 18 6.187 10.467 3.677 1.00 0.00 C ATOM 245 O GLU A 18 6.911 10.750 4.630 1.00 0.00 O ATOM 246 CB GLU A 18 6.531 12.170 1.862 1.00 0.00 C ATOM 247 CG GLU A 18 7.171 12.499 0.507 1.00 0.00 C ATOM 248 CD GLU A 18 7.192 13.998 0.218 1.00 0.00 C ATOM 249 OE1 GLU A 18 6.612 14.754 1.028 1.00 0.00 O ATOM 250 OE2 GLU A 18 7.807 14.363 -0.806 1.00 0.00 O ATOM 0 H GLU A 18 5.439 10.336 0.609 1.00 0.00 H new ATOM 0 HA GLU A 18 7.752 10.422 2.246 1.00 0.00 H new ATOM 0 HB2 GLU A 18 5.470 12.416 1.828 1.00 0.00 H new ATOM 0 HB3 GLU A 18 6.979 12.796 2.633 1.00 0.00 H new ATOM 0 HG2 GLU A 18 8.191 12.114 0.488 1.00 0.00 H new ATOM 0 HG3 GLU A 18 6.622 11.988 -0.284 1.00 0.00 H new ATOM 257 N VAL A 19 4.928 10.051 3.854 1.00 0.00 N ATOM 258 CA VAL A 19 4.238 10.293 5.122 1.00 0.00 C ATOM 259 C VAL A 19 4.459 9.198 6.170 1.00 0.00 C ATOM 260 O VAL A 19 4.138 9.411 7.339 1.00 0.00 O ATOM 261 CB VAL A 19 2.742 10.592 4.898 1.00 0.00 C ATOM 262 CG1 VAL A 19 2.569 11.708 3.858 1.00 0.00 C ATOM 263 CG2 VAL A 19 1.905 9.365 4.510 1.00 0.00 C ATOM 0 H VAL A 19 4.378 9.556 3.152 1.00 0.00 H new ATOM 0 HA VAL A 19 4.699 11.185 5.547 1.00 0.00 H new ATOM 0 HB VAL A 19 2.358 10.920 5.864 1.00 0.00 H new ATOM 0 HG11 VAL A 19 1.507 11.907 3.711 1.00 0.00 H new ATOM 0 HG12 VAL A 19 3.063 12.614 4.210 1.00 0.00 H new ATOM 0 HG13 VAL A 19 3.014 11.397 2.913 1.00 0.00 H new ATOM 0 HG21 VAL A 19 0.866 9.663 4.371 1.00 0.00 H new ATOM 0 HG22 VAL A 19 2.288 8.942 3.581 1.00 0.00 H new ATOM 0 HG23 VAL A 19 1.966 8.618 5.301 1.00 0.00 H new ATOM 273 N CYS A 20 4.944 8.018 5.777 1.00 0.00 N ATOM 274 CA CYS A 20 4.876 6.837 6.629 1.00 0.00 C ATOM 275 C CYS A 20 5.851 6.898 7.817 1.00 0.00 C ATOM 276 O CYS A 20 7.064 6.920 7.609 1.00 0.00 O ATOM 277 CB CYS A 20 5.083 5.603 5.795 1.00 0.00 C ATOM 278 SG CYS A 20 5.086 4.008 6.658 1.00 0.00 S ATOM 0 H CYS A 20 5.388 7.859 4.873 1.00 0.00 H new ATOM 0 HA CYS A 20 3.882 6.802 7.075 1.00 0.00 H new ATOM 0 HB2 CYS A 20 4.302 5.574 5.035 1.00 0.00 H new ATOM 0 HB3 CYS A 20 6.033 5.705 5.271 1.00 0.00 H new ATOM 0 HG CYS A 20 5.273 3.050 5.799 1.00 0.00 H new ATOM 283 N PRO A 21 5.350 6.869 9.069 1.00 0.00 N ATOM 284 CA PRO A 21 6.172 6.857 10.275 1.00 0.00 C ATOM 285 C PRO A 21 7.274 5.796 10.290 1.00 0.00 C ATOM 286 O PRO A 21 8.262 5.970 10.998 1.00 0.00 O ATOM 287 CB PRO A 21 5.201 6.613 11.434 1.00 0.00 C ATOM 288 CG PRO A 21 3.898 7.220 10.928 1.00 0.00 C ATOM 289 CD PRO A 21 3.940 6.886 9.440 1.00 0.00 C ATOM 0 HA PRO A 21 6.707 7.804 10.342 1.00 0.00 H new ATOM 0 HB2 PRO A 21 5.093 5.551 11.652 1.00 0.00 H new ATOM 0 HB3 PRO A 21 5.540 7.094 12.352 1.00 0.00 H new ATOM 0 HG2 PRO A 21 3.028 6.783 11.419 1.00 0.00 H new ATOM 0 HG3 PRO A 21 3.855 8.295 11.102 1.00 0.00 H new ATOM 0 HD2 PRO A 21 3.474 5.920 9.244 1.00 0.00 H new ATOM 0 HD3 PRO A 21 3.393 7.628 8.858 1.00 0.00 H new ATOM 297 N VAL A 22 7.081 4.683 9.569 1.00 0.00 N ATOM 298 CA VAL A 22 8.033 3.582 9.507 1.00 0.00 C ATOM 299 C VAL A 22 8.589 3.404 8.090 1.00 0.00 C ATOM 300 O VAL A 22 9.023 2.304 7.755 1.00 0.00 O ATOM 301 CB VAL A 22 7.393 2.295 10.071 1.00 0.00 C ATOM 302 CG1 VAL A 22 7.122 2.461 11.572 1.00 0.00 C ATOM 303 CG2 VAL A 22 6.089 1.899 9.357 1.00 0.00 C ATOM 0 H VAL A 22 6.245 4.527 9.007 1.00 0.00 H new ATOM 0 HA VAL A 22 8.891 3.818 10.136 1.00 0.00 H new ATOM 0 HB VAL A 22 8.109 1.492 9.896 1.00 0.00 H new ATOM 0 HG11 VAL A 22 6.670 1.549 11.963 1.00 0.00 H new ATOM 0 HG12 VAL A 22 8.060 2.653 12.092 1.00 0.00 H new ATOM 0 HG13 VAL A 22 6.442 3.299 11.729 1.00 0.00 H new ATOM 0 HG21 VAL A 22 5.693 0.987 9.803 1.00 0.00 H new ATOM 0 HG22 VAL A 22 5.359 2.701 9.462 1.00 0.00 H new ATOM 0 HG23 VAL A 22 6.291 1.728 8.300 1.00 0.00 H new ATOM 313 N ASP A 23 8.569 4.461 7.261 1.00 0.00 N ATOM 314 CA ASP A 23 9.329 4.607 6.014 1.00 0.00 C ATOM 315 C ASP A 23 8.882 3.716 4.844 1.00 0.00 C ATOM 316 O ASP A 23 9.056 4.098 3.688 1.00 0.00 O ATOM 317 CB ASP A 23 10.838 4.414 6.248 1.00 0.00 C ATOM 318 CG ASP A 23 11.431 5.420 7.224 1.00 0.00 C ATOM 319 OD1 ASP A 23 11.728 6.546 6.769 1.00 0.00 O ATOM 320 OD2 ASP A 23 11.599 5.037 8.402 1.00 0.00 O ATOM 0 H ASP A 23 7.991 5.278 7.455 1.00 0.00 H new ATOM 0 HA ASP A 23 9.111 5.630 5.708 1.00 0.00 H new ATOM 0 HB2 ASP A 23 11.014 3.406 6.624 1.00 0.00 H new ATOM 0 HB3 ASP A 23 11.359 4.493 5.294 1.00 0.00 H new ATOM 325 N CYS A 24 8.400 2.503 5.117 1.00 0.00 N ATOM 326 CA CYS A 24 8.492 1.344 4.230 1.00 0.00 C ATOM 327 C CYS A 24 7.449 1.323 3.105 1.00 0.00 C ATOM 328 O CYS A 24 6.819 0.294 2.851 1.00 0.00 O ATOM 329 CB CYS A 24 8.458 0.069 5.098 1.00 0.00 C ATOM 330 SG CYS A 24 10.127 -0.579 5.352 1.00 0.00 S ATOM 0 H CYS A 24 7.919 2.294 5.992 1.00 0.00 H new ATOM 0 HA CYS A 24 9.438 1.403 3.691 1.00 0.00 H new ATOM 0 HB2 CYS A 24 7.999 0.291 6.061 1.00 0.00 H new ATOM 0 HB3 CYS A 24 7.838 -0.688 4.617 1.00 0.00 H new ATOM 0 HG CYS A 24 10.704 -0.755 4.200 1.00 0.00 H new ATOM 336 N ILE A 25 7.315 2.431 2.371 1.00 0.00 N ATOM 337 CA ILE A 25 6.735 2.452 1.037 1.00 0.00 C ATOM 338 C ILE A 25 7.914 2.250 0.088 1.00 0.00 C ATOM 339 O ILE A 25 8.936 2.923 0.216 1.00 0.00 O ATOM 340 CB ILE A 25 5.990 3.773 0.755 1.00 0.00 C ATOM 341 CG1 ILE A 25 4.634 3.864 1.474 1.00 0.00 C ATOM 342 CG2 ILE A 25 5.683 3.912 -0.746 1.00 0.00 C ATOM 343 CD1 ILE A 25 4.740 3.866 2.994 1.00 0.00 C ATOM 0 H ILE A 25 7.613 3.350 2.697 1.00 0.00 H new ATOM 0 HA ILE A 25 5.981 1.674 0.914 1.00 0.00 H new ATOM 0 HB ILE A 25 6.655 4.558 1.116 1.00 0.00 H new ATOM 0 HG12 ILE A 25 4.124 4.773 1.154 1.00 0.00 H new ATOM 0 HG13 ILE A 25 4.012 3.024 1.164 1.00 0.00 H new ATOM 0 HG21 ILE A 25 5.157 4.850 -0.925 1.00 0.00 H new ATOM 0 HG22 ILE A 25 6.616 3.906 -1.310 1.00 0.00 H new ATOM 0 HG23 ILE A 25 5.058 3.079 -1.068 1.00 0.00 H new ATOM 0 HD11 ILE A 25 3.742 3.932 3.428 1.00 0.00 H new ATOM 0 HD12 ILE A 25 5.220 2.946 3.326 1.00 0.00 H new ATOM 0 HD13 ILE A 25 5.334 4.722 3.316 1.00 0.00 H new ATOM 355 N HIS A 26 7.797 1.306 -0.842 1.00 0.00 N ATOM 356 CA HIS A 26 8.829 0.953 -1.792 1.00 0.00 C ATOM 357 C HIS A 26 8.173 0.825 -3.157 1.00 0.00 C ATOM 358 O HIS A 26 6.957 0.682 -3.226 1.00 0.00 O ATOM 359 CB HIS A 26 9.374 -0.393 -1.358 1.00 0.00 C ATOM 360 CG HIS A 26 10.076 -0.364 -0.028 1.00 0.00 C ATOM 361 ND1 HIS A 26 11.162 0.418 0.299 1.00 0.00 N ATOM 362 CD2 HIS A 26 9.689 -1.035 1.099 1.00 0.00 C ATOM 363 CE1 HIS A 26 11.434 0.201 1.596 1.00 0.00 C ATOM 364 NE2 HIS A 26 10.567 -0.677 2.124 1.00 0.00 N ATOM 0 H HIS A 26 6.948 0.751 -0.952 1.00 0.00 H new ATOM 0 HA HIS A 26 9.628 1.693 -1.838 1.00 0.00 H new ATOM 0 HB2 HIS A 26 8.553 -1.108 -1.309 1.00 0.00 H new ATOM 0 HB3 HIS A 26 10.068 -0.755 -2.117 1.00 0.00 H new ATOM 0 HD1 HIS A 26 11.666 1.045 -0.328 1.00 0.00 H new ATOM 0 HD2 HIS A 26 8.856 -1.717 1.181 1.00 0.00 H new ATOM 0 HE1 HIS A 26 12.241 0.669 2.140 1.00 0.00 H new ATOM 372 N GLU A 27 8.930 0.871 -4.251 1.00 0.00 N ATOM 373 CA GLU A 27 8.290 0.829 -5.554 1.00 0.00 C ATOM 374 C GLU A 27 7.894 -0.591 -5.966 1.00 0.00 C ATOM 375 O GLU A 27 8.431 -1.572 -5.452 1.00 0.00 O ATOM 376 CB GLU A 27 9.144 1.507 -6.623 1.00 0.00 C ATOM 377 CG GLU A 27 9.648 2.887 -6.179 1.00 0.00 C ATOM 378 CD GLU A 27 9.568 3.949 -7.271 1.00 0.00 C ATOM 379 OE1 GLU A 27 9.447 3.561 -8.455 1.00 0.00 O ATOM 380 OE2 GLU A 27 9.543 5.141 -6.901 1.00 0.00 O ATOM 0 H GLU A 27 9.948 0.935 -4.261 1.00 0.00 H new ATOM 0 HA GLU A 27 7.364 1.397 -5.464 1.00 0.00 H new ATOM 0 HB2 GLU A 27 9.997 0.871 -6.861 1.00 0.00 H new ATOM 0 HB3 GLU A 27 8.560 1.613 -7.537 1.00 0.00 H new ATOM 0 HG2 GLU A 27 9.065 3.218 -5.319 1.00 0.00 H new ATOM 0 HG3 GLU A 27 10.682 2.797 -5.847 1.00 0.00 H new ATOM 387 N GLY A 28 6.974 -0.677 -6.928 1.00 0.00 N ATOM 388 CA GLY A 28 6.688 -1.884 -7.686 1.00 0.00 C ATOM 389 C GLY A 28 7.127 -1.679 -9.130 1.00 0.00 C ATOM 390 O GLY A 28 7.665 -0.623 -9.465 1.00 0.00 O ATOM 0 H GLY A 28 6.395 0.116 -7.205 1.00 0.00 H new ATOM 0 HA2 GLY A 28 7.212 -2.735 -7.251 1.00 0.00 H new ATOM 0 HA3 GLY A 28 5.623 -2.111 -7.645 1.00 0.00 H new ATOM 394 N GLU A 29 6.889 -2.684 -9.978 1.00 0.00 N ATOM 395 CA GLU A 29 7.235 -2.693 -11.385 1.00 0.00 C ATOM 396 C GLU A 29 6.802 -1.389 -12.053 1.00 0.00 C ATOM 397 O GLU A 29 7.622 -0.626 -12.557 1.00 0.00 O ATOM 398 CB GLU A 29 6.537 -3.894 -12.035 1.00 0.00 C ATOM 399 CG GLU A 29 6.948 -5.242 -11.420 1.00 0.00 C ATOM 400 CD GLU A 29 5.930 -5.748 -10.411 1.00 0.00 C ATOM 401 OE1 GLU A 29 5.707 -5.050 -9.398 1.00 0.00 O ATOM 402 OE2 GLU A 29 5.325 -6.812 -10.663 1.00 0.00 O ATOM 0 H GLU A 29 6.430 -3.545 -9.681 1.00 0.00 H new ATOM 0 HA GLU A 29 8.315 -2.778 -11.507 1.00 0.00 H new ATOM 0 HB2 GLU A 29 5.458 -3.773 -11.940 1.00 0.00 H new ATOM 0 HB3 GLU A 29 6.764 -3.904 -13.101 1.00 0.00 H new ATOM 0 HG2 GLU A 29 7.068 -5.980 -12.213 1.00 0.00 H new ATOM 0 HG3 GLU A 29 7.918 -5.137 -10.933 1.00 0.00 H new ATOM 409 N ASP A 30 5.492 -1.154 -12.027 1.00 0.00 N ATOM 410 CA ASP A 30 4.895 0.125 -12.359 1.00 0.00 C ATOM 411 C ASP A 30 4.846 0.973 -11.089 1.00 0.00 C ATOM 412 O ASP A 30 5.439 2.047 -11.017 1.00 0.00 O ATOM 413 CB ASP A 30 3.486 -0.114 -12.918 1.00 0.00 C ATOM 414 CG ASP A 30 2.689 1.180 -12.949 1.00 0.00 C ATOM 415 OD1 ASP A 30 2.835 1.920 -13.942 1.00 0.00 O ATOM 416 OD2 ASP A 30 1.961 1.411 -11.959 1.00 0.00 O ATOM 0 H ASP A 30 4.808 -1.865 -11.769 1.00 0.00 H new ATOM 0 HA ASP A 30 5.480 0.649 -13.115 1.00 0.00 H new ATOM 0 HB2 ASP A 30 3.555 -0.528 -13.924 1.00 0.00 H new ATOM 0 HB3 ASP A 30 2.967 -0.851 -12.305 1.00 0.00 H new ATOM 421 N GLN A 31 4.120 0.467 -10.095 1.00 0.00 N ATOM 422 CA GLN A 31 3.447 1.257 -9.078 1.00 0.00 C ATOM 423 C GLN A 31 4.305 1.479 -7.829 1.00 0.00 C ATOM 424 O GLN A 31 5.528 1.633 -7.917 1.00 0.00 O ATOM 425 CB GLN A 31 2.106 0.560 -8.783 1.00 0.00 C ATOM 426 CG GLN A 31 2.231 -0.800 -8.072 1.00 0.00 C ATOM 427 CD GLN A 31 2.225 -1.997 -9.020 1.00 0.00 C ATOM 428 OE1 GLN A 31 3.081 -2.120 -9.892 1.00 0.00 O ATOM 429 NE2 GLN A 31 1.272 -2.906 -8.839 1.00 0.00 N ATOM 0 H GLN A 31 3.982 -0.537 -9.975 1.00 0.00 H new ATOM 0 HA GLN A 31 3.266 2.268 -9.443 1.00 0.00 H new ATOM 0 HB2 GLN A 31 1.496 1.221 -8.168 1.00 0.00 H new ATOM 0 HB3 GLN A 31 1.572 0.416 -9.723 1.00 0.00 H new ATOM 0 HG2 GLN A 31 3.154 -0.812 -7.493 1.00 0.00 H new ATOM 0 HG3 GLN A 31 1.409 -0.906 -7.364 1.00 0.00 H new ATOM 0 HE21 GLN A 31 0.575 -2.775 -8.106 1.00 0.00 H new ATOM 0 HE22 GLN A 31 1.238 -3.734 -9.433 1.00 0.00 H new ATOM 438 N TYR A 32 3.657 1.474 -6.661 1.00 0.00 N ATOM 439 CA TYR A 32 4.294 1.332 -5.371 1.00 0.00 C ATOM 440 C TYR A 32 3.682 0.163 -4.605 1.00 0.00 C ATOM 441 O TYR A 32 2.598 -0.306 -4.940 1.00 0.00 O ATOM 442 CB TYR A 32 4.146 2.612 -4.559 1.00 0.00 C ATOM 443 CG TYR A 32 5.007 3.774 -5.008 1.00 0.00 C ATOM 444 CD1 TYR A 32 4.535 4.685 -5.971 1.00 0.00 C ATOM 445 CD2 TYR A 32 6.268 3.976 -4.417 1.00 0.00 C ATOM 446 CE1 TYR A 32 5.354 5.746 -6.395 1.00 0.00 C ATOM 447 CE2 TYR A 32 7.084 5.037 -4.843 1.00 0.00 C ATOM 448 CZ TYR A 32 6.647 5.891 -5.868 1.00 0.00 C ATOM 449 OH TYR A 32 7.530 6.733 -6.472 1.00 0.00 O ATOM 0 H TYR A 32 2.644 1.572 -6.597 1.00 0.00 H new ATOM 0 HA TYR A 32 5.354 1.137 -5.532 1.00 0.00 H new ATOM 0 HB2 TYR A 32 3.102 2.923 -4.591 1.00 0.00 H new ATOM 0 HB3 TYR A 32 4.381 2.390 -3.518 1.00 0.00 H new ATOM 0 HD1 TYR A 32 3.544 4.569 -6.384 1.00 0.00 H new ATOM 0 HD2 TYR A 32 6.609 3.314 -3.635 1.00 0.00 H new ATOM 0 HE1 TYR A 32 4.988 6.451 -7.127 1.00 0.00 H new ATOM 0 HE2 TYR A 32 8.048 5.196 -4.382 1.00 0.00 H new ATOM 0 HH TYR A 32 8.434 6.362 -6.405 1.00 0.00 H new ATOM 459 N TYR A 33 4.401 -0.276 -3.573 1.00 0.00 N ATOM 460 CA TYR A 33 4.019 -1.247 -2.561 1.00 0.00 C ATOM 461 C TYR A 33 4.440 -0.715 -1.193 1.00 0.00 C ATOM 462 O TYR A 33 5.124 0.301 -1.083 1.00 0.00 O ATOM 463 CB TYR A 33 4.768 -2.561 -2.817 1.00 0.00 C ATOM 464 CG TYR A 33 4.455 -3.219 -4.140 1.00 0.00 C ATOM 465 CD1 TYR A 33 3.135 -3.230 -4.615 1.00 0.00 C ATOM 466 CD2 TYR A 33 5.478 -3.764 -4.930 1.00 0.00 C ATOM 467 CE1 TYR A 33 2.834 -3.728 -5.887 1.00 0.00 C ATOM 468 CE2 TYR A 33 5.169 -4.305 -6.187 1.00 0.00 C ATOM 469 CZ TYR A 33 3.856 -4.267 -6.677 1.00 0.00 C ATOM 470 OH TYR A 33 3.587 -4.720 -7.933 1.00 0.00 O ATOM 0 H TYR A 33 5.347 0.072 -3.414 1.00 0.00 H new ATOM 0 HA TYR A 33 2.943 -1.415 -2.595 1.00 0.00 H new ATOM 0 HB2 TYR A 33 5.840 -2.368 -2.767 1.00 0.00 H new ATOM 0 HB3 TYR A 33 4.532 -3.260 -2.014 1.00 0.00 H new ATOM 0 HD1 TYR A 33 2.341 -2.849 -3.990 1.00 0.00 H new ATOM 0 HD2 TYR A 33 6.497 -3.767 -4.573 1.00 0.00 H new ATOM 0 HE1 TYR A 33 1.820 -3.697 -6.257 1.00 0.00 H new ATOM 0 HE2 TYR A 33 5.950 -4.755 -6.783 1.00 0.00 H new ATOM 0 HH TYR A 33 4.428 -4.911 -8.399 1.00 0.00 H new ATOM 480 N ILE A 34 4.055 -1.449 -0.155 1.00 0.00 N ATOM 481 CA ILE A 34 4.339 -1.163 1.244 1.00 0.00 C ATOM 482 C ILE A 34 4.845 -2.465 1.849 1.00 0.00 C ATOM 483 O ILE A 34 4.280 -3.506 1.525 1.00 0.00 O ATOM 484 CB ILE A 34 3.024 -0.728 1.924 1.00 0.00 C ATOM 485 CG1 ILE A 34 2.585 0.668 1.450 1.00 0.00 C ATOM 486 CG2 ILE A 34 3.113 -0.716 3.457 1.00 0.00 C ATOM 487 CD1 ILE A 34 1.078 0.768 1.189 1.00 0.00 C ATOM 0 H ILE A 34 3.509 -2.302 -0.274 1.00 0.00 H new ATOM 0 HA ILE A 34 5.076 -0.370 1.371 1.00 0.00 H new ATOM 0 HB ILE A 34 2.287 -1.475 1.630 1.00 0.00 H new ATOM 0 HG12 ILE A 34 2.867 1.406 2.201 1.00 0.00 H new ATOM 0 HG13 ILE A 34 3.123 0.921 0.537 1.00 0.00 H new ATOM 0 HG21 ILE A 34 2.156 -0.402 3.875 1.00 0.00 H new ATOM 0 HG22 ILE A 34 3.354 -1.717 3.815 1.00 0.00 H new ATOM 0 HG23 ILE A 34 3.892 -0.021 3.771 1.00 0.00 H new ATOM 0 HD11 ILE A 34 0.832 1.777 0.857 1.00 0.00 H new ATOM 0 HD12 ILE A 34 0.794 0.053 0.417 1.00 0.00 H new ATOM 0 HD13 ILE A 34 0.534 0.545 2.107 1.00 0.00 H new ATOM 499 N ASP A 35 5.857 -2.453 2.726 1.00 0.00 N ATOM 500 CA ASP A 35 6.113 -3.633 3.542 1.00 0.00 C ATOM 501 C ASP A 35 5.003 -3.752 4.581 1.00 0.00 C ATOM 502 O ASP A 35 4.886 -2.882 5.451 1.00 0.00 O ATOM 503 CB ASP A 35 7.490 -3.637 4.204 1.00 0.00 C ATOM 504 CG ASP A 35 7.695 -4.958 4.939 1.00 0.00 C ATOM 505 OD1 ASP A 35 6.863 -5.255 5.827 1.00 0.00 O ATOM 506 OD2 ASP A 35 8.652 -5.669 4.574 1.00 0.00 O ATOM 0 H ASP A 35 6.488 -1.667 2.882 1.00 0.00 H new ATOM 0 HA ASP A 35 6.116 -4.500 2.882 1.00 0.00 H new ATOM 0 HB2 ASP A 35 8.268 -3.502 3.452 1.00 0.00 H new ATOM 0 HB3 ASP A 35 7.573 -2.803 4.901 1.00 0.00 H new ATOM 511 N PRO A 36 4.159 -4.790 4.505 1.00 0.00 N ATOM 512 CA PRO A 36 3.002 -4.846 5.360 1.00 0.00 C ATOM 513 C PRO A 36 3.410 -5.256 6.777 1.00 0.00 C ATOM 514 O PRO A 36 2.776 -4.860 7.752 1.00 0.00 O ATOM 515 CB PRO A 36 2.078 -5.873 4.698 1.00 0.00 C ATOM 516 CG PRO A 36 3.058 -6.860 4.074 1.00 0.00 C ATOM 517 CD PRO A 36 4.243 -5.980 3.665 1.00 0.00 C ATOM 0 HA PRO A 36 2.502 -3.883 5.467 1.00 0.00 H new ATOM 0 HB2 PRO A 36 1.425 -6.357 5.425 1.00 0.00 H new ATOM 0 HB3 PRO A 36 1.435 -5.413 3.948 1.00 0.00 H new ATOM 0 HG2 PRO A 36 3.357 -7.631 4.784 1.00 0.00 H new ATOM 0 HG3 PRO A 36 2.622 -7.370 3.215 1.00 0.00 H new ATOM 0 HD2 PRO A 36 5.188 -6.501 3.817 1.00 0.00 H new ATOM 0 HD3 PRO A 36 4.190 -5.718 2.608 1.00 0.00 H new ATOM 525 N ASP A 37 4.463 -6.058 6.910 1.00 0.00 N ATOM 526 CA ASP A 37 4.866 -6.624 8.164 1.00 0.00 C ATOM 527 C ASP A 37 5.535 -5.540 9.012 1.00 0.00 C ATOM 528 O ASP A 37 5.471 -5.581 10.239 1.00 0.00 O ATOM 529 CB ASP A 37 5.729 -7.829 7.836 1.00 0.00 C ATOM 530 CG ASP A 37 4.944 -9.061 7.381 1.00 0.00 C ATOM 531 OD1 ASP A 37 3.692 -9.023 7.400 1.00 0.00 O ATOM 532 OD2 ASP A 37 5.582 -10.044 6.955 1.00 0.00 O ATOM 0 H ASP A 37 5.060 -6.328 6.128 1.00 0.00 H new ATOM 0 HA ASP A 37 4.037 -6.978 8.778 1.00 0.00 H new ATOM 0 HB2 ASP A 37 6.435 -7.553 7.053 1.00 0.00 H new ATOM 0 HB3 ASP A 37 6.316 -8.091 8.716 1.00 0.00 H new ATOM 537 N VAL A 38 6.117 -4.529 8.360 1.00 0.00 N ATOM 538 CA VAL A 38 6.574 -3.315 9.015 1.00 0.00 C ATOM 539 C VAL A 38 5.383 -2.436 9.421 1.00 0.00 C ATOM 540 O VAL A 38 5.385 -1.876 10.516 1.00 0.00 O ATOM 541 CB VAL A 38 7.558 -2.577 8.092 1.00 0.00 C ATOM 542 CG1 VAL A 38 7.826 -1.154 8.589 1.00 0.00 C ATOM 543 CG2 VAL A 38 8.880 -3.352 7.997 1.00 0.00 C ATOM 0 H VAL A 38 6.282 -4.537 7.354 1.00 0.00 H new ATOM 0 HA VAL A 38 7.101 -3.569 9.935 1.00 0.00 H new ATOM 0 HB VAL A 38 7.104 -2.514 7.103 1.00 0.00 H new ATOM 0 HG11 VAL A 38 8.525 -0.659 7.915 1.00 0.00 H new ATOM 0 HG12 VAL A 38 6.890 -0.596 8.615 1.00 0.00 H new ATOM 0 HG13 VAL A 38 8.254 -1.193 9.591 1.00 0.00 H new ATOM 0 HG21 VAL A 38 9.568 -2.819 7.341 1.00 0.00 H new ATOM 0 HG22 VAL A 38 9.321 -3.441 8.990 1.00 0.00 H new ATOM 0 HG23 VAL A 38 8.691 -4.347 7.593 1.00 0.00 H new ATOM 553 N CYS A 39 4.396 -2.251 8.538 1.00 0.00 N ATOM 554 CA CYS A 39 3.314 -1.284 8.751 1.00 0.00 C ATOM 555 C CYS A 39 2.512 -1.510 10.050 1.00 0.00 C ATOM 556 O CYS A 39 1.581 -2.331 10.102 1.00 0.00 O ATOM 557 CB CYS A 39 2.351 -1.326 7.609 1.00 0.00 C ATOM 558 SG CYS A 39 0.911 -0.233 7.871 1.00 0.00 S ATOM 0 H CYS A 39 4.325 -2.765 7.660 1.00 0.00 H new ATOM 0 HA CYS A 39 3.809 -0.316 8.830 1.00 0.00 H new ATOM 0 HB2 CYS A 39 2.865 -1.033 6.693 1.00 0.00 H new ATOM 0 HB3 CYS A 39 2.005 -2.350 7.466 1.00 0.00 H new ATOM 0 HG CYS A 39 0.476 0.194 6.723 1.00 0.00 H new ATOM 563 N ILE A 40 2.790 -0.677 11.057 1.00 0.00 N ATOM 564 CA ILE A 40 2.283 -0.759 12.427 1.00 0.00 C ATOM 565 C ILE A 40 0.779 -0.482 12.607 1.00 0.00 C ATOM 566 O ILE A 40 0.355 -0.162 13.715 1.00 0.00 O ATOM 567 CB ILE A 40 3.136 0.164 13.321 1.00 0.00 C ATOM 568 CG1 ILE A 40 3.096 1.651 12.917 1.00 0.00 C ATOM 569 CG2 ILE A 40 4.590 -0.324 13.371 1.00 0.00 C ATOM 570 CD1 ILE A 40 2.299 2.483 13.925 1.00 0.00 C ATOM 0 H ILE A 40 3.413 0.120 10.928 1.00 0.00 H new ATOM 0 HA ILE A 40 2.379 -1.802 12.727 1.00 0.00 H new ATOM 0 HB ILE A 40 2.685 0.105 14.312 1.00 0.00 H new ATOM 0 HG12 ILE A 40 4.113 2.038 12.847 1.00 0.00 H new ATOM 0 HG13 ILE A 40 2.649 1.749 11.928 1.00 0.00 H new ATOM 0 HG21 ILE A 40 5.175 0.341 14.007 1.00 0.00 H new ATOM 0 HG22 ILE A 40 4.621 -1.335 13.777 1.00 0.00 H new ATOM 0 HG23 ILE A 40 5.008 -0.325 12.364 1.00 0.00 H new ATOM 0 HD11 ILE A 40 2.291 3.526 13.610 1.00 0.00 H new ATOM 0 HD12 ILE A 40 1.276 2.111 13.975 1.00 0.00 H new ATOM 0 HD13 ILE A 40 2.762 2.405 14.909 1.00 0.00 H new ATOM 582 N ASP A 41 -0.032 -0.601 11.551 1.00 0.00 N ATOM 583 CA ASP A 41 -1.465 -0.305 11.566 1.00 0.00 C ATOM 584 C ASP A 41 -1.720 1.093 12.113 1.00 0.00 C ATOM 585 O ASP A 41 -2.595 1.322 12.947 1.00 0.00 O ATOM 586 CB ASP A 41 -2.280 -1.391 12.287 1.00 0.00 C ATOM 587 CG ASP A 41 -2.323 -2.642 11.444 1.00 0.00 C ATOM 588 OD1 ASP A 41 -2.766 -2.517 10.281 1.00 0.00 O ATOM 589 OD2 ASP A 41 -1.764 -3.668 11.880 1.00 0.00 O ATOM 0 H ASP A 41 0.300 -0.914 10.639 1.00 0.00 H new ATOM 0 HA ASP A 41 -1.820 -0.317 10.535 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -1.833 -1.610 13.257 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -3.292 -1.034 12.476 1.00 0.00 H new ATOM 594 N CYS A 42 -0.939 2.033 11.588 1.00 0.00 N ATOM 595 CA CYS A 42 -1.166 3.447 11.784 1.00 0.00 C ATOM 596 C CYS A 42 -2.253 3.914 10.809 1.00 0.00 C ATOM 597 O CYS A 42 -2.686 3.139 9.959 1.00 0.00 O ATOM 598 CB CYS A 42 0.145 4.181 11.636 1.00 0.00 C ATOM 599 SG CYS A 42 0.403 5.119 10.110 1.00 0.00 S ATOM 0 H CYS A 42 -0.125 1.824 11.010 1.00 0.00 H new ATOM 0 HA CYS A 42 -1.531 3.663 12.788 1.00 0.00 H new ATOM 0 HB2 CYS A 42 0.243 4.869 12.476 1.00 0.00 H new ATOM 0 HB3 CYS A 42 0.951 3.453 11.725 1.00 0.00 H new ATOM 0 HG CYS A 42 1.468 5.855 10.228 1.00 0.00 H new ATOM 604 N GLY A 43 -2.684 5.171 10.924 1.00 0.00 N ATOM 605 CA GLY A 43 -3.515 5.830 9.931 1.00 0.00 C ATOM 606 C GLY A 43 -2.840 7.146 9.565 1.00 0.00 C ATOM 607 O GLY A 43 -2.414 7.875 10.461 1.00 0.00 O ATOM 0 H GLY A 43 -2.459 5.763 11.723 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -3.630 5.200 9.049 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -4.515 6.010 10.327 1.00 0.00 H new ATOM 611 N ALA A 44 -2.723 7.431 8.266 1.00 0.00 N ATOM 612 CA ALA A 44 -2.133 8.623 7.671 1.00 0.00 C ATOM 613 C ALA A 44 -2.137 8.448 6.151 1.00 0.00 C ATOM 614 O ALA A 44 -2.752 9.224 5.420 1.00 0.00 O ATOM 615 CB ALA A 44 -0.699 8.856 8.174 1.00 0.00 C ATOM 0 H ALA A 44 -3.064 6.785 7.554 1.00 0.00 H new ATOM 0 HA ALA A 44 -2.720 9.495 7.959 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -0.292 9.754 7.709 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -0.709 8.981 9.257 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -0.078 7.999 7.914 1.00 0.00 H new ATOM 621 N CYS A 45 -1.424 7.423 5.682 1.00 0.00 N ATOM 622 CA CYS A 45 -1.217 7.153 4.270 1.00 0.00 C ATOM 623 C CYS A 45 -2.545 6.953 3.528 1.00 0.00 C ATOM 624 O CYS A 45 -2.747 7.550 2.472 1.00 0.00 O ATOM 625 CB CYS A 45 -0.241 6.012 4.105 1.00 0.00 C ATOM 626 SG CYS A 45 -0.782 4.417 4.767 1.00 0.00 S ATOM 0 H CYS A 45 -0.967 6.746 6.292 1.00 0.00 H new ATOM 0 HA CYS A 45 -0.766 8.025 3.797 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -0.028 5.891 3.043 1.00 0.00 H new ATOM 0 HB3 CYS A 45 0.696 6.287 4.589 1.00 0.00 H new ATOM 0 HG CYS A 45 0.141 3.526 4.560 1.00 0.00 H new ATOM 631 N GLU A 46 -3.486 6.185 4.084 1.00 0.00 N ATOM 632 CA GLU A 46 -4.768 5.927 3.442 1.00 0.00 C ATOM 633 C GLU A 46 -5.579 7.213 3.300 1.00 0.00 C ATOM 634 O GLU A 46 -6.326 7.368 2.336 1.00 0.00 O ATOM 635 CB GLU A 46 -5.593 4.841 4.164 1.00 0.00 C ATOM 636 CG GLU A 46 -4.961 4.198 5.404 1.00 0.00 C ATOM 637 CD GLU A 46 -5.051 5.093 6.628 1.00 0.00 C ATOM 638 OE1 GLU A 46 -4.343 6.124 6.609 1.00 0.00 O ATOM 639 OE2 GLU A 46 -5.824 4.739 7.547 1.00 0.00 O ATOM 0 H GLU A 46 -3.377 5.728 4.989 1.00 0.00 H new ATOM 0 HA GLU A 46 -4.542 5.542 2.448 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -6.547 5.279 4.458 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -5.813 4.050 3.447 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -5.458 3.251 5.612 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -3.915 3.971 5.199 1.00 0.00 H new ATOM 646 N ALA A 47 -5.461 8.123 4.273 1.00 0.00 N ATOM 647 CA ALA A 47 -6.177 9.390 4.231 1.00 0.00 C ATOM 648 C ALA A 47 -5.754 10.223 3.018 1.00 0.00 C ATOM 649 O ALA A 47 -6.602 10.839 2.375 1.00 0.00 O ATOM 650 CB ALA A 47 -5.975 10.170 5.534 1.00 0.00 C ATOM 0 H ALA A 47 -4.874 8.000 5.098 1.00 0.00 H new ATOM 0 HA ALA A 47 -7.240 9.174 4.128 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -6.518 11.113 5.481 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -6.349 9.582 6.372 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -4.913 10.370 5.677 1.00 0.00 H new ATOM 656 N VAL A 48 -4.451 10.268 2.720 1.00 0.00 N ATOM 657 CA VAL A 48 -3.945 11.042 1.588 1.00 0.00 C ATOM 658 C VAL A 48 -4.059 10.264 0.272 1.00 0.00 C ATOM 659 O VAL A 48 -4.291 10.874 -0.771 1.00 0.00 O ATOM 660 CB VAL A 48 -2.525 11.578 1.847 1.00 0.00 C ATOM 661 CG1 VAL A 48 -2.520 12.515 3.062 1.00 0.00 C ATOM 662 CG2 VAL A 48 -1.476 10.481 2.050 1.00 0.00 C ATOM 0 H VAL A 48 -3.730 9.777 3.249 1.00 0.00 H new ATOM 0 HA VAL A 48 -4.584 11.919 1.481 1.00 0.00 H new ATOM 0 HB VAL A 48 -2.246 12.120 0.944 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -1.509 12.885 3.232 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -3.188 13.356 2.876 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -2.860 11.970 3.943 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -0.502 10.937 2.227 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -1.751 9.869 2.909 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -1.427 9.855 1.159 1.00 0.00 H new ATOM 672 N CYS A 49 -3.890 8.938 0.301 1.00 0.00 N ATOM 673 CA CYS A 49 -3.973 8.110 -0.895 1.00 0.00 C ATOM 674 C CYS A 49 -5.332 8.318 -1.587 1.00 0.00 C ATOM 675 O CYS A 49 -6.370 8.216 -0.928 1.00 0.00 O ATOM 676 CB CYS A 49 -3.777 6.662 -0.527 1.00 0.00 C ATOM 677 SG CYS A 49 -3.766 5.528 -1.922 1.00 0.00 S ATOM 0 H CYS A 49 -3.693 8.415 1.154 1.00 0.00 H new ATOM 0 HA CYS A 49 -3.186 8.401 -1.591 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -2.835 6.562 0.012 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -4.570 6.365 0.159 1.00 0.00 H new ATOM 0 HG CYS A 49 -2.564 5.064 -2.095 1.00 0.00 H new ATOM 682 N PRO A 50 -5.375 8.647 -2.890 1.00 0.00 N ATOM 683 CA PRO A 50 -6.618 8.963 -3.569 1.00 0.00 C ATOM 684 C PRO A 50 -7.591 7.781 -3.506 1.00 0.00 C ATOM 685 O PRO A 50 -7.330 6.710 -4.049 1.00 0.00 O ATOM 686 CB PRO A 50 -6.243 9.366 -4.999 1.00 0.00 C ATOM 687 CG PRO A 50 -4.840 8.792 -5.200 1.00 0.00 C ATOM 688 CD PRO A 50 -4.246 8.779 -3.793 1.00 0.00 C ATOM 0 HA PRO A 50 -7.147 9.786 -3.088 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -6.947 8.958 -5.724 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -6.251 10.449 -5.122 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -4.875 7.790 -5.628 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -4.249 9.408 -5.878 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -3.548 7.951 -3.671 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -3.691 9.696 -3.594 1.00 0.00 H new ATOM 696 N VAL A 51 -8.719 7.991 -2.818 1.00 0.00 N ATOM 697 CA VAL A 51 -9.759 6.995 -2.583 1.00 0.00 C ATOM 698 C VAL A 51 -9.217 5.797 -1.784 1.00 0.00 C ATOM 699 O VAL A 51 -9.790 4.705 -1.814 1.00 0.00 O ATOM 700 CB VAL A 51 -10.474 6.611 -3.903 1.00 0.00 C ATOM 701 CG1 VAL A 51 -11.848 5.977 -3.628 1.00 0.00 C ATOM 702 CG2 VAL A 51 -10.677 7.838 -4.809 1.00 0.00 C ATOM 0 H VAL A 51 -8.936 8.894 -2.396 1.00 0.00 H new ATOM 0 HA VAL A 51 -10.531 7.435 -1.952 1.00 0.00 H new ATOM 0 HB VAL A 51 -9.831 5.889 -4.407 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -12.325 5.718 -4.573 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -11.719 5.076 -3.028 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -12.475 6.687 -3.088 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -11.181 7.534 -5.726 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -11.286 8.578 -4.289 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -9.708 8.273 -5.055 1.00 0.00 H new ATOM 712 N SER A 52 -8.133 6.012 -1.029 1.00 0.00 N ATOM 713 CA SER A 52 -7.503 5.010 -0.190 1.00 0.00 C ATOM 714 C SER A 52 -7.264 3.715 -0.963 1.00 0.00 C ATOM 715 O SER A 52 -7.735 2.657 -0.561 1.00 0.00 O ATOM 716 CB SER A 52 -8.336 4.788 1.075 1.00 0.00 C ATOM 717 OG SER A 52 -8.663 6.031 1.674 1.00 0.00 O ATOM 0 H SER A 52 -7.664 6.917 -0.990 1.00 0.00 H new ATOM 0 HA SER A 52 -6.522 5.371 0.118 1.00 0.00 H new ATOM 0 HB2 SER A 52 -9.248 4.245 0.827 1.00 0.00 H new ATOM 0 HB3 SER A 52 -7.780 4.172 1.781 1.00 0.00 H new ATOM 0 HG SER A 52 -7.841 6.485 1.954 1.00 0.00 H new ATOM 723 N ALA A 53 -6.513 3.784 -2.067 1.00 0.00 N ATOM 724 CA ALA A 53 -6.077 2.577 -2.767 1.00 0.00 C ATOM 725 C ALA A 53 -5.321 1.657 -1.803 1.00 0.00 C ATOM 726 O ALA A 53 -5.378 0.434 -1.910 1.00 0.00 O ATOM 727 CB ALA A 53 -5.217 2.938 -3.981 1.00 0.00 C ATOM 0 H ALA A 53 -6.198 4.657 -2.490 1.00 0.00 H new ATOM 0 HA ALA A 53 -6.954 2.043 -3.132 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -4.903 2.026 -4.488 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -5.798 3.554 -4.668 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -4.338 3.492 -3.652 1.00 0.00 H new ATOM 733 N ILE A 54 -4.625 2.254 -0.837 1.00 0.00 N ATOM 734 CA ILE A 54 -4.121 1.561 0.332 1.00 0.00 C ATOM 735 C ILE A 54 -5.317 1.091 1.175 1.00 0.00 C ATOM 736 O ILE A 54 -6.010 1.915 1.772 1.00 0.00 O ATOM 737 CB ILE A 54 -3.196 2.522 1.098 1.00 0.00 C ATOM 738 CG1 ILE A 54 -1.976 2.894 0.240 1.00 0.00 C ATOM 739 CG2 ILE A 54 -2.746 1.900 2.417 1.00 0.00 C ATOM 740 CD1 ILE A 54 -1.116 3.983 0.890 1.00 0.00 C ATOM 0 H ILE A 54 -4.396 3.248 -0.851 1.00 0.00 H new ATOM 0 HA ILE A 54 -3.540 0.678 0.066 1.00 0.00 H new ATOM 0 HB ILE A 54 -3.756 3.431 1.319 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -1.367 2.005 0.074 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -2.314 3.237 -0.738 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -2.093 2.596 2.943 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -3.618 1.684 3.034 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -2.205 0.975 2.217 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -0.267 4.210 0.245 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -1.715 4.883 1.032 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -0.754 3.632 1.856 1.00 0.00 H new ATOM 752 N TYR A 55 -5.548 -0.225 1.239 1.00 0.00 N ATOM 753 CA TYR A 55 -6.597 -0.858 2.026 1.00 0.00 C ATOM 754 C TYR A 55 -6.007 -1.902 2.974 1.00 0.00 C ATOM 755 O TYR A 55 -4.933 -2.448 2.743 1.00 0.00 O ATOM 756 CB TYR A 55 -7.634 -1.500 1.105 1.00 0.00 C ATOM 757 CG TYR A 55 -8.542 -0.550 0.345 1.00 0.00 C ATOM 758 CD1 TYR A 55 -9.357 0.370 1.034 1.00 0.00 C ATOM 759 CD2 TYR A 55 -8.663 -0.668 -1.051 1.00 0.00 C ATOM 760 CE1 TYR A 55 -10.200 1.239 0.319 1.00 0.00 C ATOM 761 CE2 TYR A 55 -9.503 0.202 -1.767 1.00 0.00 C ATOM 762 CZ TYR A 55 -10.209 1.207 -1.087 1.00 0.00 C ATOM 763 OH TYR A 55 -10.888 2.153 -1.795 1.00 0.00 O ATOM 0 H TYR A 55 -4.984 -0.899 0.722 1.00 0.00 H new ATOM 0 HA TYR A 55 -7.088 -0.091 2.626 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -7.109 -2.123 0.381 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -8.258 -2.164 1.703 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -9.334 0.408 2.113 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -8.107 -1.431 -1.576 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -10.839 1.930 0.849 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -9.605 0.098 -2.837 1.00 0.00 H new ATOM 0 HH TYR A 55 -10.416 3.010 -1.733 1.00 0.00 H new ATOM 773 N HIS A 56 -6.707 -2.179 4.071 1.00 0.00 N ATOM 774 CA HIS A 56 -6.223 -3.083 5.102 1.00 0.00 C ATOM 775 C HIS A 56 -6.342 -4.533 4.631 1.00 0.00 C ATOM 776 O HIS A 56 -7.325 -4.865 3.971 1.00 0.00 O ATOM 777 CB HIS A 56 -7.051 -2.810 6.360 1.00 0.00 C ATOM 778 CG HIS A 56 -6.648 -3.629 7.553 1.00 0.00 C ATOM 779 ND1 HIS A 56 -7.330 -4.720 8.038 1.00 0.00 N ATOM 780 CD2 HIS A 56 -5.565 -3.417 8.365 1.00 0.00 C ATOM 781 CE1 HIS A 56 -6.655 -5.177 9.104 1.00 0.00 C ATOM 782 NE2 HIS A 56 -5.577 -4.416 9.342 1.00 0.00 N ATOM 0 H HIS A 56 -7.626 -1.781 4.267 1.00 0.00 H new ATOM 0 HA HIS A 56 -5.167 -2.919 5.318 1.00 0.00 H new ATOM 0 HB2 HIS A 56 -6.967 -1.753 6.614 1.00 0.00 H new ATOM 0 HB3 HIS A 56 -8.101 -3.003 6.139 1.00 0.00 H new ATOM 0 HD2 HIS A 56 -4.837 -2.625 8.268 1.00 0.00 H new ATOM 0 HE1 HIS A 56 -6.941 -6.039 9.689 1.00 0.00 H new ATOM 0 HE2 HIS A 56 -4.897 -4.542 10.092 1.00 0.00 H new ATOM 790 N GLU A 57 -5.378 -5.400 4.971 1.00 0.00 N ATOM 791 CA GLU A 57 -5.318 -6.788 4.534 1.00 0.00 C ATOM 792 C GLU A 57 -6.664 -7.506 4.574 1.00 0.00 C ATOM 793 O GLU A 57 -7.016 -8.251 3.665 1.00 0.00 O ATOM 794 CB GLU A 57 -4.364 -7.548 5.451 1.00 0.00 C ATOM 795 CG GLU A 57 -2.906 -7.161 5.291 1.00 0.00 C ATOM 796 CD GLU A 57 -1.981 -8.222 5.866 1.00 0.00 C ATOM 797 OE1 GLU A 57 -2.071 -9.381 5.408 1.00 0.00 O ATOM 798 OE2 GLU A 57 -1.132 -7.877 6.713 1.00 0.00 O ATOM 0 H GLU A 57 -4.599 -5.140 5.576 1.00 0.00 H new ATOM 0 HA GLU A 57 -4.984 -6.771 3.496 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -4.661 -7.379 6.486 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -4.468 -8.616 5.260 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -2.681 -7.015 4.234 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -2.724 -6.209 5.790 1.00 0.00 H new ATOM 805 N ASP A 58 -7.394 -7.314 5.667 1.00 0.00 N ATOM 806 CA ASP A 58 -8.640 -8.013 5.906 1.00 0.00 C ATOM 807 C ASP A 58 -9.648 -7.599 4.840 1.00 0.00 C ATOM 808 O ASP A 58 -10.167 -8.441 4.103 1.00 0.00 O ATOM 809 CB ASP A 58 -9.136 -7.688 7.316 1.00 0.00 C ATOM 810 CG ASP A 58 -10.455 -8.391 7.580 1.00 0.00 C ATOM 811 OD1 ASP A 58 -10.425 -9.638 7.637 1.00 0.00 O ATOM 812 OD2 ASP A 58 -11.461 -7.662 7.701 1.00 0.00 O ATOM 0 H ASP A 58 -7.133 -6.667 6.411 1.00 0.00 H new ATOM 0 HA ASP A 58 -8.500 -9.092 5.842 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -8.395 -8.001 8.052 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -9.261 -6.611 7.427 1.00 0.00 H new ATOM 817 N PHE A 59 -9.838 -6.279 4.738 1.00 0.00 N ATOM 818 CA PHE A 59 -10.752 -5.582 3.871 1.00 0.00 C ATOM 819 C PHE A 59 -10.387 -5.837 2.415 1.00 0.00 C ATOM 820 O PHE A 59 -11.257 -5.877 1.549 1.00 0.00 O ATOM 821 CB PHE A 59 -10.601 -4.088 4.173 1.00 0.00 C ATOM 822 CG PHE A 59 -10.908 -3.579 5.575 1.00 0.00 C ATOM 823 CD1 PHE A 59 -11.357 -4.430 6.606 1.00 0.00 C ATOM 824 CD2 PHE A 59 -10.709 -2.211 5.848 1.00 0.00 C ATOM 825 CE1 PHE A 59 -11.517 -3.937 7.911 1.00 0.00 C ATOM 826 CE2 PHE A 59 -10.887 -1.714 7.151 1.00 0.00 C ATOM 827 CZ PHE A 59 -11.276 -2.580 8.187 1.00 0.00 C ATOM 0 H PHE A 59 -9.304 -5.630 5.315 1.00 0.00 H new ATOM 0 HA PHE A 59 -11.774 -5.922 4.036 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -9.574 -3.808 3.940 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -11.244 -3.546 3.479 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -11.579 -5.465 6.391 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -10.418 -1.541 5.052 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -11.826 -4.602 8.704 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -10.725 -0.666 7.356 1.00 0.00 H new ATOM 0 HZ PHE A 59 -11.390 -2.204 9.193 1.00 0.00 H new ATOM 837 N VAL A 60 -9.085 -5.959 2.151 1.00 0.00 N ATOM 838 CA VAL A 60 -8.577 -6.247 0.817 1.00 0.00 C ATOM 839 C VAL A 60 -9.290 -7.490 0.277 1.00 0.00 C ATOM 840 O VAL A 60 -9.254 -8.533 0.930 1.00 0.00 O ATOM 841 CB VAL A 60 -7.044 -6.371 0.873 1.00 0.00 C ATOM 842 CG1 VAL A 60 -6.388 -7.249 -0.203 1.00 0.00 C ATOM 843 CG2 VAL A 60 -6.525 -4.954 0.688 1.00 0.00 C ATOM 0 H VAL A 60 -8.357 -5.860 2.858 1.00 0.00 H new ATOM 0 HA VAL A 60 -8.789 -5.438 0.118 1.00 0.00 H new ATOM 0 HB VAL A 60 -6.794 -6.856 1.817 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -5.308 -7.257 -0.057 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -6.772 -8.266 -0.126 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -6.618 -6.848 -1.190 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -5.435 -4.959 0.716 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -6.861 -4.566 -0.273 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -6.906 -4.320 1.488 1.00 0.00 H new ATOM 853 N PRO A 61 -9.937 -7.407 -0.896 1.00 0.00 N ATOM 854 CA PRO A 61 -10.667 -8.535 -1.445 1.00 0.00 C ATOM 855 C PRO A 61 -9.704 -9.689 -1.699 1.00 0.00 C ATOM 856 O PRO A 61 -8.538 -9.464 -2.002 1.00 0.00 O ATOM 857 CB PRO A 61 -11.316 -8.043 -2.741 1.00 0.00 C ATOM 858 CG PRO A 61 -10.620 -6.720 -3.081 1.00 0.00 C ATOM 859 CD PRO A 61 -9.941 -6.262 -1.789 1.00 0.00 C ATOM 0 HA PRO A 61 -11.432 -8.903 -0.761 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -11.187 -8.770 -3.543 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -12.388 -7.898 -2.611 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -9.890 -6.856 -3.879 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -11.339 -5.978 -3.429 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -8.925 -5.920 -1.985 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -10.479 -5.425 -1.344 1.00 0.00 H new ATOM 867 N GLU A 62 -10.181 -10.926 -1.591 1.00 0.00 N ATOM 868 CA GLU A 62 -9.457 -12.149 -1.805 1.00 0.00 C ATOM 869 C GLU A 62 -8.632 -12.095 -3.091 1.00 0.00 C ATOM 870 O GLU A 62 -7.456 -12.448 -3.095 1.00 0.00 O ATOM 871 CB GLU A 62 -10.543 -13.222 -1.808 1.00 0.00 C ATOM 872 CG GLU A 62 -10.851 -13.705 -0.379 1.00 0.00 C ATOM 873 CD GLU A 62 -11.281 -12.564 0.537 1.00 0.00 C ATOM 874 OE1 GLU A 62 -12.106 -11.751 0.068 1.00 0.00 O ATOM 875 OE2 GLU A 62 -10.700 -12.452 1.640 1.00 0.00 O ATOM 0 H GLU A 62 -11.153 -11.098 -1.333 1.00 0.00 H new ATOM 0 HA GLU A 62 -8.710 -12.352 -1.037 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -11.450 -12.824 -2.264 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -10.223 -14.066 -2.419 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -11.639 -14.457 -0.414 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -9.967 -14.189 0.037 1.00 0.00 H new ATOM 882 N GLU A 63 -9.240 -11.578 -4.159 1.00 0.00 N ATOM 883 CA GLU A 63 -8.557 -11.262 -5.409 1.00 0.00 C ATOM 884 C GLU A 63 -7.210 -10.561 -5.154 1.00 0.00 C ATOM 885 O GLU A 63 -6.180 -10.948 -5.708 1.00 0.00 O ATOM 886 CB GLU A 63 -9.498 -10.411 -6.268 1.00 0.00 C ATOM 887 CG GLU A 63 -8.996 -10.230 -7.705 1.00 0.00 C ATOM 888 CD GLU A 63 -9.978 -9.411 -8.532 1.00 0.00 C ATOM 889 OE1 GLU A 63 -10.375 -8.338 -8.033 1.00 0.00 O ATOM 890 OE2 GLU A 63 -10.316 -9.880 -9.640 1.00 0.00 O ATOM 0 H GLU A 63 -10.237 -11.364 -4.178 1.00 0.00 H new ATOM 0 HA GLU A 63 -8.317 -12.181 -5.943 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -10.483 -10.877 -6.289 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -9.618 -9.432 -5.805 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -8.025 -9.736 -7.694 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -8.852 -11.206 -8.168 1.00 0.00 H new ATOM 897 N TRP A 64 -7.215 -9.536 -4.299 1.00 0.00 N ATOM 898 CA TRP A 64 -6.082 -8.668 -3.999 1.00 0.00 C ATOM 899 C TRP A 64 -5.346 -9.041 -2.713 1.00 0.00 C ATOM 900 O TRP A 64 -4.241 -8.553 -2.490 1.00 0.00 O ATOM 901 CB TRP A 64 -6.520 -7.198 -4.130 1.00 0.00 C ATOM 902 CG TRP A 64 -7.031 -6.865 -5.514 1.00 0.00 C ATOM 903 CD1 TRP A 64 -6.705 -7.547 -6.638 1.00 0.00 C ATOM 904 CD2 TRP A 64 -7.990 -5.848 -5.957 1.00 0.00 C ATOM 905 NE1 TRP A 64 -7.423 -7.083 -7.710 1.00 0.00 N ATOM 906 CE2 TRP A 64 -8.250 -6.053 -7.347 1.00 0.00 C ATOM 907 CE3 TRP A 64 -8.672 -4.774 -5.343 1.00 0.00 C ATOM 908 CZ2 TRP A 64 -9.159 -5.279 -8.075 1.00 0.00 C ATOM 909 CZ3 TRP A 64 -9.517 -3.931 -6.093 1.00 0.00 C ATOM 910 CH2 TRP A 64 -9.787 -4.201 -7.445 1.00 0.00 C ATOM 0 H TRP A 64 -8.051 -9.279 -3.774 1.00 0.00 H new ATOM 0 HA TRP A 64 -5.300 -8.824 -4.742 1.00 0.00 H new ATOM 0 HB2 TRP A 64 -7.300 -6.989 -3.398 1.00 0.00 H new ATOM 0 HB3 TRP A 64 -5.677 -6.549 -3.892 1.00 0.00 H new ATOM 0 HD1 TRP A 64 -5.980 -8.346 -6.684 1.00 0.00 H new ATOM 0 HE1 TRP A 64 -7.351 -7.457 -8.656 1.00 0.00 H new ATOM 0 HE3 TRP A 64 -8.544 -4.596 -4.285 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 -9.372 -5.511 -9.108 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 -9.962 -3.067 -5.622 1.00 0.00 H new ATOM 0 HH2 TRP A 64 -10.477 -3.578 -7.995 1.00 0.00 H new ATOM 921 N LYS A 65 -5.832 -10.022 -1.949 1.00 0.00 N ATOM 922 CA LYS A 65 -4.987 -10.724 -0.982 1.00 0.00 C ATOM 923 C LYS A 65 -3.712 -11.239 -1.683 1.00 0.00 C ATOM 924 O LYS A 65 -2.640 -11.320 -1.075 1.00 0.00 O ATOM 925 CB LYS A 65 -5.771 -11.819 -0.253 1.00 0.00 C ATOM 926 CG LYS A 65 -6.803 -11.130 0.654 1.00 0.00 C ATOM 927 CD LYS A 65 -7.375 -12.078 1.716 1.00 0.00 C ATOM 928 CE LYS A 65 -7.882 -11.247 2.900 1.00 0.00 C ATOM 929 NZ LYS A 65 -9.165 -10.555 2.627 1.00 0.00 N ATOM 0 H LYS A 65 -6.799 -10.346 -1.981 1.00 0.00 H new ATOM 0 HA LYS A 65 -4.666 -10.031 -0.204 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -6.268 -12.474 -0.968 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -5.099 -12.442 0.337 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -6.337 -10.276 1.146 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -7.617 -10.740 0.043 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -8.188 -12.670 1.295 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -6.609 -12.779 2.048 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -8.006 -11.898 3.765 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -7.127 -10.506 3.164 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -9.358 -9.870 3.385 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -9.103 -10.056 1.717 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -9.935 -11.253 2.587 1.00 0.00 H new ATOM 943 N SER A 66 -3.804 -11.536 -2.985 1.00 0.00 N ATOM 944 CA SER A 66 -2.664 -11.767 -3.860 1.00 0.00 C ATOM 945 C SER A 66 -1.638 -10.624 -3.804 1.00 0.00 C ATOM 946 O SER A 66 -0.449 -10.871 -3.618 1.00 0.00 O ATOM 947 CB SER A 66 -3.166 -11.968 -5.294 1.00 0.00 C ATOM 948 OG SER A 66 -4.262 -12.862 -5.291 1.00 0.00 O ATOM 0 H SER A 66 -4.700 -11.623 -3.465 1.00 0.00 H new ATOM 0 HA SER A 66 -2.149 -12.663 -3.514 1.00 0.00 H new ATOM 0 HB2 SER A 66 -3.465 -11.012 -5.723 1.00 0.00 H new ATOM 0 HB3 SER A 66 -2.364 -12.361 -5.919 1.00 0.00 H new ATOM 0 HG SER A 66 -5.093 -12.361 -5.430 1.00 0.00 H new ATOM 954 N TYR A 67 -2.072 -9.367 -3.964 1.00 0.00 N ATOM 955 CA TYR A 67 -1.165 -8.226 -3.894 1.00 0.00 C ATOM 956 C TYR A 67 -0.555 -8.122 -2.512 1.00 0.00 C ATOM 957 O TYR A 67 0.606 -7.750 -2.390 1.00 0.00 O ATOM 958 CB TYR A 67 -1.879 -6.892 -4.153 1.00 0.00 C ATOM 959 CG TYR A 67 -2.016 -6.507 -5.610 1.00 0.00 C ATOM 960 CD1 TYR A 67 -0.883 -6.118 -6.348 1.00 0.00 C ATOM 961 CD2 TYR A 67 -3.286 -6.465 -6.211 1.00 0.00 C ATOM 962 CE1 TYR A 67 -1.022 -5.701 -7.683 1.00 0.00 C ATOM 963 CE2 TYR A 67 -3.428 -6.031 -7.539 1.00 0.00 C ATOM 964 CZ TYR A 67 -2.296 -5.638 -8.274 1.00 0.00 C ATOM 965 OH TYR A 67 -2.416 -5.206 -9.560 1.00 0.00 O ATOM 0 H TYR A 67 -3.045 -9.120 -4.142 1.00 0.00 H new ATOM 0 HA TYR A 67 -0.411 -8.398 -4.662 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -2.874 -6.939 -3.711 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -1.337 -6.101 -3.634 1.00 0.00 H new ATOM 0 HD1 TYR A 67 0.094 -6.140 -5.888 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -4.157 -6.768 -5.649 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -0.148 -5.428 -8.256 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -4.406 -5.999 -7.995 1.00 0.00 H new ATOM 0 HH TYR A 67 -3.314 -5.413 -9.892 1.00 0.00 H new ATOM 975 N ILE A 68 -1.330 -8.385 -1.464 1.00 0.00 N ATOM 976 CA ILE A 68 -0.806 -8.288 -0.123 1.00 0.00 C ATOM 977 C ILE A 68 0.338 -9.284 0.043 1.00 0.00 C ATOM 978 O ILE A 68 1.431 -8.924 0.482 1.00 0.00 O ATOM 979 CB ILE A 68 -1.972 -8.507 0.844 1.00 0.00 C ATOM 980 CG1 ILE A 68 -2.782 -7.220 1.028 1.00 0.00 C ATOM 981 CG2 ILE A 68 -1.531 -9.004 2.222 1.00 0.00 C ATOM 982 CD1 ILE A 68 -2.986 -6.333 -0.211 1.00 0.00 C ATOM 0 H ILE A 68 -2.310 -8.663 -1.524 1.00 0.00 H new ATOM 0 HA ILE A 68 -0.380 -7.308 0.091 1.00 0.00 H new ATOM 0 HB ILE A 68 -2.586 -9.282 0.386 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -3.764 -7.492 1.414 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -2.293 -6.620 1.796 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -2.406 -9.138 2.858 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -1.010 -9.956 2.116 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -0.862 -8.273 2.676 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -3.575 -5.457 0.061 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -2.017 -6.013 -0.593 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -3.511 -6.898 -0.981 1.00 0.00 H new ATOM 994 N GLN A 69 0.108 -10.531 -0.373 1.00 0.00 N ATOM 995 CA GLN A 69 1.158 -11.519 -0.447 1.00 0.00 C ATOM 996 C GLN A 69 2.316 -11.017 -1.312 1.00 0.00 C ATOM 997 O GLN A 69 3.458 -11.190 -0.915 1.00 0.00 O ATOM 998 CB GLN A 69 0.555 -12.831 -0.944 1.00 0.00 C ATOM 999 CG GLN A 69 -0.167 -13.534 0.207 1.00 0.00 C ATOM 1000 CD GLN A 69 -1.133 -14.594 -0.298 1.00 0.00 C ATOM 1001 OE1 GLN A 69 -0.881 -15.789 -0.184 1.00 0.00 O ATOM 1002 NE2 GLN A 69 -2.255 -14.153 -0.855 1.00 0.00 N ATOM 0 H GLN A 69 -0.808 -10.872 -0.664 1.00 0.00 H new ATOM 0 HA GLN A 69 1.587 -11.699 0.539 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -0.142 -12.637 -1.759 1.00 0.00 H new ATOM 0 HB3 GLN A 69 1.339 -13.475 -1.342 1.00 0.00 H new ATOM 0 HG2 GLN A 69 0.566 -13.996 0.868 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -0.711 -12.798 0.799 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -2.427 -13.150 -0.931 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -2.945 -14.817 -1.207 1.00 0.00 H new ATOM 1011 N LYS A 70 2.052 -10.364 -2.448 1.00 0.00 N ATOM 1012 CA LYS A 70 3.096 -9.796 -3.300 1.00 0.00 C ATOM 1013 C LYS A 70 3.953 -8.770 -2.555 1.00 0.00 C ATOM 1014 O LYS A 70 5.178 -8.861 -2.578 1.00 0.00 O ATOM 1015 CB LYS A 70 2.474 -9.165 -4.556 1.00 0.00 C ATOM 1016 CG LYS A 70 3.512 -8.885 -5.650 1.00 0.00 C ATOM 1017 CD LYS A 70 2.833 -8.175 -6.827 1.00 0.00 C ATOM 1018 CE LYS A 70 3.831 -7.982 -7.975 1.00 0.00 C ATOM 1019 NZ LYS A 70 3.281 -7.143 -9.055 1.00 0.00 N ATOM 0 H LYS A 70 1.107 -10.215 -2.801 1.00 0.00 H new ATOM 0 HA LYS A 70 3.754 -10.612 -3.597 1.00 0.00 H new ATOM 0 HB2 LYS A 70 1.706 -9.831 -4.950 1.00 0.00 H new ATOM 0 HB3 LYS A 70 1.979 -8.233 -4.283 1.00 0.00 H new ATOM 0 HG2 LYS A 70 4.317 -8.266 -5.253 1.00 0.00 H new ATOM 0 HG3 LYS A 70 3.964 -9.819 -5.986 1.00 0.00 H new ATOM 0 HD2 LYS A 70 1.980 -8.760 -7.171 1.00 0.00 H new ATOM 0 HD3 LYS A 70 2.447 -7.208 -6.504 1.00 0.00 H new ATOM 0 HE2 LYS A 70 4.742 -7.524 -7.589 1.00 0.00 H new ATOM 0 HE3 LYS A 70 4.110 -8.955 -8.379 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 3.879 -7.230 -9.901 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 2.315 -7.456 -9.280 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 3.260 -6.150 -8.747 1.00 0.00 H new ATOM 1033 N ASN A 71 3.324 -7.782 -1.915 1.00 0.00 N ATOM 1034 CA ASN A 71 3.999 -6.800 -1.086 1.00 0.00 C ATOM 1035 C ASN A 71 4.862 -7.514 -0.058 1.00 0.00 C ATOM 1036 O ASN A 71 6.033 -7.183 0.099 1.00 0.00 O ATOM 1037 CB ASN A 71 2.955 -5.916 -0.390 1.00 0.00 C ATOM 1038 CG ASN A 71 2.357 -4.832 -1.281 1.00 0.00 C ATOM 1039 OD1 ASN A 71 2.399 -3.649 -0.957 1.00 0.00 O ATOM 1040 ND2 ASN A 71 1.774 -5.216 -2.410 1.00 0.00 N ATOM 0 H ASN A 71 2.314 -7.646 -1.964 1.00 0.00 H new ATOM 0 HA ASN A 71 4.638 -6.169 -1.704 1.00 0.00 H new ATOM 0 HB2 ASN A 71 2.150 -6.549 -0.018 1.00 0.00 H new ATOM 0 HB3 ASN A 71 3.416 -5.444 0.477 1.00 0.00 H new ATOM 0 HD21 ASN A 71 1.350 -4.523 -3.027 1.00 0.00 H new ATOM 0 HD22 ASN A 71 1.750 -6.204 -2.661 1.00 0.00 H new ATOM 1047 N ARG A 72 4.303 -8.528 0.604 1.00 0.00 N ATOM 1048 CA ARG A 72 5.081 -9.377 1.492 1.00 0.00 C ATOM 1049 C ARG A 72 6.292 -9.944 0.745 1.00 0.00 C ATOM 1050 O ARG A 72 7.426 -9.788 1.187 1.00 0.00 O ATOM 1051 CB ARG A 72 4.187 -10.481 2.091 1.00 0.00 C ATOM 1052 CG ARG A 72 4.234 -10.444 3.623 1.00 0.00 C ATOM 1053 CD ARG A 72 3.076 -11.219 4.271 1.00 0.00 C ATOM 1054 NE ARG A 72 2.604 -10.495 5.468 1.00 0.00 N ATOM 1055 CZ ARG A 72 1.370 -10.019 5.701 1.00 0.00 C ATOM 1056 NH1 ARG A 72 0.327 -10.427 4.972 1.00 0.00 N ATOM 1057 NH2 ARG A 72 1.205 -9.123 6.670 1.00 0.00 N ATOM 0 H ARG A 72 3.316 -8.777 0.539 1.00 0.00 H new ATOM 0 HA ARG A 72 5.462 -8.787 2.326 1.00 0.00 H new ATOM 0 HB2 ARG A 72 3.160 -10.349 1.750 1.00 0.00 H new ATOM 0 HB3 ARG A 72 4.518 -11.457 1.735 1.00 0.00 H new ATOM 0 HG2 ARG A 72 5.181 -10.862 3.964 1.00 0.00 H new ATOM 0 HG3 ARG A 72 4.205 -9.407 3.958 1.00 0.00 H new ATOM 0 HD2 ARG A 72 2.259 -11.335 3.559 1.00 0.00 H new ATOM 0 HD3 ARG A 72 3.405 -12.221 4.546 1.00 0.00 H new ATOM 0 HE ARG A 72 3.294 -10.338 6.202 1.00 0.00 H new ATOM 0 HH11 ARG A 72 0.462 -11.110 4.226 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -0.604 -10.056 5.161 1.00 0.00 H new ATOM 0 HH21 ARG A 72 2.007 -8.811 7.218 1.00 0.00 H new ATOM 0 HH22 ARG A 72 0.277 -8.748 6.865 1.00 0.00 H new ATOM 1071 N ASP A 73 6.055 -10.589 -0.400 1.00 0.00 N ATOM 1072 CA ASP A 73 7.073 -11.317 -1.137 1.00 0.00 C ATOM 1073 C ASP A 73 8.247 -10.416 -1.470 1.00 0.00 C ATOM 1074 O ASP A 73 9.415 -10.784 -1.284 1.00 0.00 O ATOM 1075 CB ASP A 73 6.485 -11.932 -2.408 1.00 0.00 C ATOM 1076 CG ASP A 73 7.130 -13.283 -2.659 1.00 0.00 C ATOM 1077 OD1 ASP A 73 6.898 -14.183 -1.817 1.00 0.00 O ATOM 1078 OD2 ASP A 73 7.907 -13.375 -3.629 1.00 0.00 O ATOM 0 H ASP A 73 5.136 -10.616 -0.841 1.00 0.00 H new ATOM 0 HA ASP A 73 7.436 -12.126 -0.503 1.00 0.00 H new ATOM 0 HB2 ASP A 73 5.406 -12.045 -2.305 1.00 0.00 H new ATOM 0 HB3 ASP A 73 6.656 -11.271 -3.258 1.00 0.00 H new ATOM 1083 N PHE A 74 7.900 -9.217 -1.937 1.00 0.00 N ATOM 1084 CA PHE A 74 8.832 -8.186 -2.349 1.00 0.00 C ATOM 1085 C PHE A 74 9.964 -8.028 -1.339 1.00 0.00 C ATOM 1086 O PHE A 74 11.127 -7.993 -1.747 1.00 0.00 O ATOM 1087 CB PHE A 74 8.088 -6.870 -2.616 1.00 0.00 C ATOM 1088 CG PHE A 74 8.016 -6.522 -4.088 1.00 0.00 C ATOM 1089 CD1 PHE A 74 7.397 -7.416 -4.981 1.00 0.00 C ATOM 1090 CD2 PHE A 74 8.692 -5.392 -4.584 1.00 0.00 C ATOM 1091 CE1 PHE A 74 7.460 -7.184 -6.365 1.00 0.00 C ATOM 1092 CE2 PHE A 74 8.710 -5.133 -5.966 1.00 0.00 C ATOM 1093 CZ PHE A 74 8.099 -6.032 -6.857 1.00 0.00 C ATOM 0 H PHE A 74 6.925 -8.934 -2.040 1.00 0.00 H new ATOM 0 HA PHE A 74 9.299 -8.489 -3.286 1.00 0.00 H new ATOM 0 HB2 PHE A 74 7.077 -6.942 -2.215 1.00 0.00 H new ATOM 0 HB3 PHE A 74 8.586 -6.062 -2.081 1.00 0.00 H new ATOM 0 HD1 PHE A 74 6.873 -8.281 -4.602 1.00 0.00 H new ATOM 0 HD2 PHE A 74 9.197 -4.723 -3.903 1.00 0.00 H new ATOM 0 HE1 PHE A 74 7.018 -7.891 -7.051 1.00 0.00 H new ATOM 0 HE2 PHE A 74 9.193 -4.244 -6.343 1.00 0.00 H new ATOM 0 HZ PHE A 74 8.120 -5.838 -7.919 1.00 0.00 H new ATOM 1103 N PHE A 75 9.642 -8.030 -0.045 1.00 0.00 N ATOM 1104 CA PHE A 75 10.607 -7.817 1.027 1.00 0.00 C ATOM 1105 C PHE A 75 10.885 -9.085 1.841 1.00 0.00 C ATOM 1106 O PHE A 75 11.440 -8.996 2.933 1.00 0.00 O ATOM 1107 CB PHE A 75 10.082 -6.688 1.917 1.00 0.00 C ATOM 1108 CG PHE A 75 9.556 -5.499 1.135 1.00 0.00 C ATOM 1109 CD1 PHE A 75 10.409 -4.793 0.265 1.00 0.00 C ATOM 1110 CD2 PHE A 75 8.171 -5.272 1.086 1.00 0.00 C ATOM 1111 CE1 PHE A 75 9.867 -3.924 -0.698 1.00 0.00 C ATOM 1112 CE2 PHE A 75 7.628 -4.396 0.133 1.00 0.00 C ATOM 1113 CZ PHE A 75 8.473 -3.752 -0.785 1.00 0.00 C ATOM 0 H PHE A 75 8.690 -8.182 0.289 1.00 0.00 H new ATOM 0 HA PHE A 75 11.566 -7.542 0.587 1.00 0.00 H new ATOM 0 HB2 PHE A 75 9.286 -7.076 2.552 1.00 0.00 H new ATOM 0 HB3 PHE A 75 10.882 -6.354 2.577 1.00 0.00 H new ATOM 0 HD1 PHE A 75 11.479 -4.919 0.338 1.00 0.00 H new ATOM 0 HD2 PHE A 75 7.520 -5.774 1.786 1.00 0.00 H new ATOM 0 HE1 PHE A 75 10.520 -3.388 -1.371 1.00 0.00 H new ATOM 0 HE2 PHE A 75 6.563 -4.218 0.106 1.00 0.00 H new ATOM 0 HZ PHE A 75 8.053 -3.125 -1.558 1.00 0.00 H new