USER MOD reduce.3.24.130724 H: found=0, std=0, add=512, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 424 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 14 CYS SG : rot -75:sc= -4.91! USER MOD Single : A 22 ASN : amide:sc= -0.152 X(o=-0.15,f=0) USER MOD Single : A 23 GLN : amide:sc= 0 K(o=0,f=-0.59) USER MOD Single : A 25 ASN : amide:sc= -3.14! C(o=-3.1!,f=-3.5!) USER MOD Single : A 36 SER OG : rot 44:sc= 0.175 USER MOD Single : A 38 LYS NZ :NH3+ -155:sc=-0.00606 (180deg=-0.213) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 139:sc= -0.0018 (180deg=-0.382) USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 50 TYR OH : rot 30:sc= 0 USER MOD Single : A 62 THR OG1 : rot 180:sc= -1.2 USER MOD Single : A 63 HIS :FLIP no HE2:sc= -0.76 F(o=-1.9!,f=-0.76) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 55 N GLY A 7 10.484 -4.873 -0.898 1.00 0.00 N ATOM 56 CA GLY A 7 9.178 -5.289 -1.380 1.00 0.00 C ATOM 57 C GLY A 7 9.194 -6.759 -1.805 1.00 0.00 C ATOM 58 O GLY A 7 8.725 -7.100 -2.890 1.00 0.00 O ATOM 0 HA2 GLY A 7 8.433 -5.141 -0.598 1.00 0.00 H new ATOM 0 HA3 GLY A 7 8.882 -4.666 -2.224 1.00 0.00 H new ATOM 62 N GLY A 8 9.740 -7.590 -0.929 1.00 0.00 N ATOM 63 CA GLY A 8 9.823 -9.016 -1.202 1.00 0.00 C ATOM 64 C GLY A 8 8.545 -9.521 -1.872 1.00 0.00 C ATOM 65 O GLY A 8 8.506 -9.698 -3.089 1.00 0.00 O ATOM 0 H GLY A 8 10.129 -7.304 -0.031 1.00 0.00 H new ATOM 0 HA2 GLY A 8 10.679 -9.217 -1.846 1.00 0.00 H new ATOM 0 HA3 GLY A 8 9.989 -9.559 -0.272 1.00 0.00 H new ATOM 69 N GLU A 9 7.529 -9.741 -1.050 1.00 0.00 N ATOM 70 CA GLU A 9 6.253 -10.223 -1.549 1.00 0.00 C ATOM 71 C GLU A 9 5.103 -9.474 -0.874 1.00 0.00 C ATOM 72 O GLU A 9 5.077 -9.339 0.349 1.00 0.00 O ATOM 73 CB GLU A 9 6.119 -11.734 -1.343 1.00 0.00 C ATOM 74 CG GLU A 9 5.652 -12.054 0.078 1.00 0.00 C ATOM 75 CD GLU A 9 6.162 -13.425 0.527 1.00 0.00 C ATOM 76 OE1 GLU A 9 5.439 -14.411 0.272 1.00 0.00 O ATOM 77 OE2 GLU A 9 7.266 -13.455 1.116 1.00 0.00 O ATOM 0 H GLU A 9 7.564 -9.594 -0.041 1.00 0.00 H new ATOM 0 HA GLU A 9 6.207 -10.030 -2.621 1.00 0.00 H new ATOM 0 HB2 GLU A 9 5.409 -12.141 -2.063 1.00 0.00 H new ATOM 0 HB3 GLU A 9 7.078 -12.217 -1.532 1.00 0.00 H new ATOM 0 HG2 GLU A 9 6.010 -11.286 0.764 1.00 0.00 H new ATOM 0 HG3 GLU A 9 4.563 -12.036 0.120 1.00 0.00 H new ATOM 82 N ILE A 10 4.178 -9.005 -1.700 1.00 0.00 N ATOM 83 CA ILE A 10 3.028 -8.274 -1.199 1.00 0.00 C ATOM 84 C ILE A 10 2.130 -9.225 -0.404 1.00 0.00 C ATOM 85 O ILE A 10 1.471 -10.088 -0.982 1.00 0.00 O ATOM 86 CB ILE A 10 2.307 -7.559 -2.343 1.00 0.00 C ATOM 87 CG1 ILE A 10 3.046 -6.281 -2.745 1.00 0.00 C ATOM 88 CG2 ILE A 10 0.845 -7.286 -1.985 1.00 0.00 C ATOM 89 CD1 ILE A 10 2.886 -5.197 -1.678 1.00 0.00 C ATOM 0 H ILE A 10 4.203 -9.118 -2.713 1.00 0.00 H new ATOM 0 HA ILE A 10 3.346 -7.488 -0.514 1.00 0.00 H new ATOM 0 HB ILE A 10 2.309 -8.218 -3.211 1.00 0.00 H new ATOM 0 HG12 ILE A 10 4.104 -6.499 -2.891 1.00 0.00 H new ATOM 0 HG13 ILE A 10 2.661 -5.918 -3.698 1.00 0.00 H new ATOM 0 HG21 ILE A 10 0.356 -6.777 -2.816 1.00 0.00 H new ATOM 0 HG22 ILE A 10 0.336 -8.230 -1.788 1.00 0.00 H new ATOM 0 HG23 ILE A 10 0.799 -6.657 -1.096 1.00 0.00 H new ATOM 0 HD11 ILE A 10 3.421 -4.299 -1.988 1.00 0.00 H new ATOM 0 HD12 ILE A 10 1.829 -4.964 -1.552 1.00 0.00 H new ATOM 0 HD13 ILE A 10 3.294 -5.554 -0.733 1.00 0.00 H new ATOM 100 N ILE A 11 2.133 -9.034 0.906 1.00 0.00 N ATOM 101 CA ILE A 11 1.327 -9.864 1.785 1.00 0.00 C ATOM 102 C ILE A 11 0.161 -9.038 2.332 1.00 0.00 C ATOM 103 O ILE A 11 0.105 -7.826 2.129 1.00 0.00 O ATOM 104 CB ILE A 11 2.198 -10.495 2.874 1.00 0.00 C ATOM 105 CG1 ILE A 11 2.672 -9.441 3.877 1.00 0.00 C ATOM 106 CG2 ILE A 11 3.367 -11.269 2.261 1.00 0.00 C ATOM 107 CD1 ILE A 11 1.624 -9.214 4.970 1.00 0.00 C ATOM 0 H ILE A 11 2.681 -8.316 1.381 1.00 0.00 H new ATOM 0 HA ILE A 11 0.895 -10.698 1.231 1.00 0.00 H new ATOM 0 HB ILE A 11 1.590 -11.213 3.425 1.00 0.00 H new ATOM 0 HG12 ILE A 11 3.611 -9.760 4.329 1.00 0.00 H new ATOM 0 HG13 ILE A 11 2.871 -8.503 3.358 1.00 0.00 H new ATOM 0 HG21 ILE A 11 3.970 -11.707 3.056 1.00 0.00 H new ATOM 0 HG22 ILE A 11 2.982 -12.061 1.619 1.00 0.00 H new ATOM 0 HG23 ILE A 11 3.983 -10.591 1.671 1.00 0.00 H new ATOM 0 HD11 ILE A 11 1.985 -8.461 5.670 1.00 0.00 H new ATOM 0 HD12 ILE A 11 0.694 -8.872 4.517 1.00 0.00 H new ATOM 0 HD13 ILE A 11 1.446 -10.148 5.503 1.00 0.00 H new ATOM 118 N GLU A 12 -0.741 -9.727 3.016 1.00 0.00 N ATOM 119 CA GLU A 12 -1.902 -9.071 3.594 1.00 0.00 C ATOM 120 C GLU A 12 -1.497 -8.265 4.829 1.00 0.00 C ATOM 121 O GLU A 12 -0.925 -8.811 5.771 1.00 0.00 O ATOM 122 CB GLU A 12 -2.991 -10.089 3.936 1.00 0.00 C ATOM 123 CG GLU A 12 -3.439 -10.855 2.690 1.00 0.00 C ATOM 124 CD GLU A 12 -4.391 -11.994 3.058 1.00 0.00 C ATOM 125 OE1 GLU A 12 -4.070 -12.710 4.032 1.00 0.00 O ATOM 126 OE2 GLU A 12 -5.418 -12.126 2.358 1.00 0.00 O ATOM 0 H GLU A 12 -0.691 -10.732 3.183 1.00 0.00 H new ATOM 0 HA GLU A 12 -2.312 -8.383 2.855 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -2.617 -10.790 4.683 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -3.845 -9.577 4.379 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -3.933 -10.173 1.998 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -2.568 -11.257 2.174 1.00 0.00 H new ATOM 131 N GLY A 13 -1.809 -6.978 4.785 1.00 0.00 N ATOM 132 CA GLY A 13 -1.485 -6.091 5.889 1.00 0.00 C ATOM 133 C GLY A 13 -0.550 -4.969 5.435 1.00 0.00 C ATOM 134 O GLY A 13 -0.635 -3.846 5.928 1.00 0.00 O ATOM 0 H GLY A 13 -2.283 -6.528 4.002 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -2.401 -5.663 6.297 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -1.014 -6.660 6.691 1.00 0.00 H new ATOM 138 N CYS A 14 0.324 -5.313 4.499 1.00 0.00 N ATOM 139 CA CYS A 14 1.274 -4.350 3.972 1.00 0.00 C ATOM 140 C CYS A 14 0.516 -3.067 3.624 1.00 0.00 C ATOM 141 O CYS A 14 -0.595 -3.121 3.099 1.00 0.00 O ATOM 142 CB CYS A 14 2.036 -4.907 2.768 1.00 0.00 C ATOM 143 SG CYS A 14 3.413 -5.970 3.335 1.00 0.00 S ATOM 0 H CYS A 14 0.393 -6.246 4.093 1.00 0.00 H new ATOM 0 HA CYS A 14 2.029 -4.131 4.727 1.00 0.00 H new ATOM 0 HB2 CYS A 14 1.360 -5.481 2.134 1.00 0.00 H new ATOM 0 HB3 CYS A 14 2.424 -4.088 2.162 1.00 0.00 H new ATOM 0 HG CYS A 14 4.381 -5.225 3.781 1.00 0.00 H new ATOM 148 N ARG A 15 1.147 -1.943 3.931 1.00 0.00 N ATOM 149 CA ARG A 15 0.545 -0.649 3.657 1.00 0.00 C ATOM 150 C ARG A 15 1.387 0.125 2.640 1.00 0.00 C ATOM 151 O ARG A 15 2.564 0.391 2.879 1.00 0.00 O ATOM 152 CB ARG A 15 0.415 0.180 4.937 1.00 0.00 C ATOM 153 CG ARG A 15 -0.944 -0.046 5.600 1.00 0.00 C ATOM 154 CD ARG A 15 -1.191 0.979 6.710 1.00 0.00 C ATOM 155 NE ARG A 15 -1.183 0.309 8.030 1.00 0.00 N ATOM 156 CZ ARG A 15 -0.072 0.044 8.730 1.00 0.00 C ATOM 157 NH1 ARG A 15 1.127 0.389 8.242 1.00 0.00 N ATOM 158 NH2 ARG A 15 -0.160 -0.569 9.919 1.00 0.00 N ATOM 0 H ARG A 15 2.068 -1.902 4.367 1.00 0.00 H new ATOM 0 HA ARG A 15 -0.450 -0.827 3.249 1.00 0.00 H new ATOM 0 HB2 ARG A 15 1.211 -0.089 5.631 1.00 0.00 H new ATOM 0 HB3 ARG A 15 0.539 1.238 4.704 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -1.734 0.025 4.852 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -0.987 -1.053 6.014 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -0.422 1.751 6.681 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -2.148 1.476 6.551 1.00 0.00 H new ATOM 0 HE ARG A 15 -2.079 0.032 8.431 1.00 0.00 H new ATOM 0 HH11 ARG A 15 1.195 0.854 7.337 1.00 0.00 H new ATOM 0 HH12 ARG A 15 1.972 0.187 8.776 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -1.073 -0.833 10.290 1.00 0.00 H new ATOM 0 HH22 ARG A 15 0.686 -0.771 10.452 1.00 0.00 H new ATOM 169 N LEU A 16 0.752 0.461 1.527 1.00 0.00 N ATOM 170 CA LEU A 16 1.428 1.198 0.473 1.00 0.00 C ATOM 171 C LEU A 16 0.426 2.122 -0.221 1.00 0.00 C ATOM 172 O LEU A 16 -0.774 1.855 -0.220 1.00 0.00 O ATOM 173 CB LEU A 16 2.141 0.236 -0.480 1.00 0.00 C ATOM 174 CG LEU A 16 1.616 -1.201 -0.500 1.00 0.00 C ATOM 175 CD1 LEU A 16 0.086 -1.226 -0.454 1.00 0.00 C ATOM 176 CD2 LEU A 16 2.165 -1.969 -1.705 1.00 0.00 C ATOM 0 H LEU A 16 -0.224 0.236 1.332 1.00 0.00 H new ATOM 0 HA LEU A 16 2.209 1.833 0.892 1.00 0.00 H new ATOM 0 HB2 LEU A 16 2.074 0.640 -1.490 1.00 0.00 H new ATOM 0 HB3 LEU A 16 3.198 0.212 -0.216 1.00 0.00 H new ATOM 0 HG LEU A 16 1.974 -1.708 0.396 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -0.262 -2.259 -0.469 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -0.259 -0.741 0.459 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -0.313 -0.696 -1.319 1.00 0.00 H new ATOM 0 HD21 LEU A 16 1.776 -2.987 -1.695 1.00 0.00 H new ATOM 0 HD22 LEU A 16 1.857 -1.472 -2.625 1.00 0.00 H new ATOM 0 HD23 LEU A 16 3.253 -1.996 -1.654 1.00 0.00 H new ATOM 187 N PRO A 17 0.971 3.218 -0.813 1.00 0.00 N ATOM 188 CA PRO A 17 0.138 4.184 -1.510 1.00 0.00 C ATOM 189 C PRO A 17 -0.320 3.637 -2.864 1.00 0.00 C ATOM 190 O PRO A 17 0.485 3.485 -3.781 1.00 0.00 O ATOM 191 CB PRO A 17 0.999 5.430 -1.634 1.00 0.00 C ATOM 192 CG PRO A 17 2.432 4.969 -1.420 1.00 0.00 C ATOM 193 CD PRO A 17 2.388 3.567 -0.835 1.00 0.00 C ATOM 0 HA PRO A 17 -0.785 4.406 -0.975 1.00 0.00 H new ATOM 0 HB2 PRO A 17 0.879 5.892 -2.614 1.00 0.00 H new ATOM 0 HB3 PRO A 17 0.714 6.177 -0.893 1.00 0.00 H new ATOM 0 HG2 PRO A 17 2.979 4.972 -2.363 1.00 0.00 H new ATOM 0 HG3 PRO A 17 2.955 5.648 -0.746 1.00 0.00 H new ATOM 0 HD2 PRO A 17 2.959 2.866 -1.444 1.00 0.00 H new ATOM 0 HD3 PRO A 17 2.817 3.542 0.167 1.00 0.00 H new ATOM 198 N VAL A 18 -1.612 3.356 -2.947 1.00 0.00 N ATOM 199 CA VAL A 18 -2.187 2.830 -4.172 1.00 0.00 C ATOM 200 C VAL A 18 -2.683 3.991 -5.038 1.00 0.00 C ATOM 201 O VAL A 18 -3.625 4.689 -4.665 1.00 0.00 O ATOM 202 CB VAL A 18 -3.286 1.818 -3.843 1.00 0.00 C ATOM 203 CG1 VAL A 18 -4.089 1.454 -5.093 1.00 0.00 C ATOM 204 CG2 VAL A 18 -2.700 0.567 -3.184 1.00 0.00 C ATOM 0 H VAL A 18 -2.277 3.483 -2.184 1.00 0.00 H new ATOM 0 HA VAL A 18 -1.432 2.294 -4.748 1.00 0.00 H new ATOM 0 HB VAL A 18 -3.968 2.284 -3.131 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -4.863 0.733 -4.831 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -4.552 2.352 -5.502 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -3.424 1.017 -5.838 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -3.502 -0.136 -2.960 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -1.986 0.099 -3.862 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -2.194 0.846 -2.260 1.00 0.00 H new ATOM 214 N LEU A 19 -2.027 4.161 -6.176 1.00 0.00 N ATOM 215 CA LEU A 19 -2.390 5.225 -7.097 1.00 0.00 C ATOM 216 C LEU A 19 -3.914 5.294 -7.214 1.00 0.00 C ATOM 217 O LEU A 19 -4.589 4.266 -7.200 1.00 0.00 O ATOM 218 CB LEU A 19 -1.678 5.038 -8.438 1.00 0.00 C ATOM 219 CG LEU A 19 -2.105 5.985 -9.562 1.00 0.00 C ATOM 220 CD1 LEU A 19 -1.409 7.342 -9.428 1.00 0.00 C ATOM 221 CD2 LEU A 19 -1.866 5.351 -10.934 1.00 0.00 C ATOM 0 H LEU A 19 -1.246 3.580 -6.482 1.00 0.00 H new ATOM 0 HA LEU A 19 -2.055 6.190 -6.716 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -0.606 5.156 -8.277 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -1.839 4.013 -8.772 1.00 0.00 H new ATOM 0 HG LEU A 19 -3.177 6.162 -9.472 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -1.729 7.997 -10.238 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -1.673 7.793 -8.471 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -0.329 7.204 -9.479 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -2.178 6.045 -11.715 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -0.806 5.126 -11.051 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -2.444 4.430 -11.015 1.00 0.00 H new ATOM 232 N ARG A 20 -4.411 6.518 -7.327 1.00 0.00 N ATOM 233 CA ARG A 20 -5.843 6.736 -7.446 1.00 0.00 C ATOM 234 C ARG A 20 -6.121 8.076 -8.129 1.00 0.00 C ATOM 235 O ARG A 20 -5.810 9.132 -7.581 1.00 0.00 O ATOM 236 CB ARG A 20 -6.519 6.720 -6.074 1.00 0.00 C ATOM 237 CG ARG A 20 -7.956 7.236 -6.164 1.00 0.00 C ATOM 238 CD ARG A 20 -8.817 6.663 -5.037 1.00 0.00 C ATOM 239 NE ARG A 20 -10.245 6.949 -5.295 1.00 0.00 N ATOM 240 CZ ARG A 20 -10.965 6.363 -6.262 1.00 0.00 C ATOM 241 NH1 ARG A 20 -10.395 5.458 -7.067 1.00 0.00 N ATOM 242 NH2 ARG A 20 -12.257 6.685 -6.423 1.00 0.00 N ATOM 0 H ARG A 20 -3.848 7.368 -7.339 1.00 0.00 H new ATOM 0 HA ARG A 20 -6.253 5.925 -8.049 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -6.518 5.705 -5.676 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -5.951 7.336 -5.378 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -7.959 8.325 -6.111 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -8.384 6.963 -7.128 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -8.661 5.587 -4.961 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -8.517 7.097 -4.083 1.00 0.00 H new ATOM 0 HE ARG A 20 -10.711 7.635 -4.700 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -9.412 5.214 -6.945 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -10.943 5.012 -7.803 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -12.691 7.375 -5.810 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -12.806 6.240 -7.159 1.00 0.00 H new ATOM 253 N ARG A 21 -6.704 7.989 -9.315 1.00 0.00 N ATOM 254 CA ARG A 21 -7.028 9.183 -10.079 1.00 0.00 C ATOM 255 C ARG A 21 -8.472 9.609 -9.810 1.00 0.00 C ATOM 256 O ARG A 21 -9.411 8.938 -10.237 1.00 0.00 O ATOM 257 CB ARG A 21 -6.844 8.944 -11.579 1.00 0.00 C ATOM 258 CG ARG A 21 -5.367 9.025 -11.970 1.00 0.00 C ATOM 259 CD ARG A 21 -5.209 9.233 -13.477 1.00 0.00 C ATOM 260 NE ARG A 21 -3.886 8.744 -13.921 1.00 0.00 N ATOM 261 CZ ARG A 21 -3.294 9.107 -15.067 1.00 0.00 C ATOM 262 NH1 ARG A 21 -3.907 9.968 -15.892 1.00 0.00 N ATOM 263 NH2 ARG A 21 -2.092 8.612 -15.388 1.00 0.00 N ATOM 0 H ARG A 21 -6.961 7.111 -9.766 1.00 0.00 H new ATOM 0 HA ARG A 21 -6.348 9.974 -9.763 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -7.241 7.965 -11.846 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -7.414 9.684 -12.141 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -4.890 9.846 -11.434 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -4.857 8.109 -11.670 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -5.999 8.703 -14.010 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -5.315 10.290 -13.719 1.00 0.00 H new ATOM 0 HE ARG A 21 -3.392 8.088 -13.316 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -4.822 10.345 -15.647 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -3.458 10.246 -16.765 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -1.626 7.958 -14.760 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -1.643 8.889 -16.261 1.00 0.00 H new ATOM 274 N ASN A 22 -8.606 10.723 -9.105 1.00 0.00 N ATOM 275 CA ASN A 22 -9.921 11.246 -8.776 1.00 0.00 C ATOM 276 C ASN A 22 -10.606 11.734 -10.054 1.00 0.00 C ATOM 277 O ASN A 22 -10.023 11.679 -11.135 1.00 0.00 O ATOM 278 CB ASN A 22 -9.817 12.431 -7.813 1.00 0.00 C ATOM 279 CG ASN A 22 -9.061 12.039 -6.542 1.00 0.00 C ATOM 280 OD1 ASN A 22 -9.611 11.473 -5.612 1.00 0.00 O ATOM 281 ND2 ASN A 22 -7.773 12.371 -6.554 1.00 0.00 N ATOM 0 H ASN A 22 -7.826 11.278 -8.753 1.00 0.00 H new ATOM 0 HA ASN A 22 -10.493 10.447 -8.305 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -9.306 13.259 -8.304 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -10.816 12.782 -7.553 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -7.183 12.153 -5.751 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -7.376 12.844 -7.366 1.00 0.00 H new ATOM 287 N GLN A 23 -11.835 12.202 -9.886 1.00 0.00 N ATOM 288 CA GLN A 23 -12.605 12.700 -11.013 1.00 0.00 C ATOM 289 C GLN A 23 -11.804 13.754 -11.780 1.00 0.00 C ATOM 290 O GLN A 23 -11.744 13.721 -13.009 1.00 0.00 O ATOM 291 CB GLN A 23 -13.950 13.264 -10.551 1.00 0.00 C ATOM 292 CG GLN A 23 -15.032 12.182 -10.561 1.00 0.00 C ATOM 293 CD GLN A 23 -16.231 12.597 -9.707 1.00 0.00 C ATOM 294 OE1 GLN A 23 -16.442 13.761 -9.411 1.00 0.00 O ATOM 295 NE2 GLN A 23 -17.004 11.582 -9.331 1.00 0.00 N ATOM 0 H GLN A 23 -12.316 12.247 -8.987 1.00 0.00 H new ATOM 0 HA GLN A 23 -12.808 11.866 -11.685 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -13.850 13.674 -9.546 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -14.247 14.086 -11.203 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -15.357 11.997 -11.585 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -14.619 11.246 -10.184 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -16.770 10.630 -9.614 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -17.831 11.755 -8.760 1.00 0.00 H new ATOM 302 N ASP A 24 -11.207 14.663 -11.024 1.00 0.00 N ATOM 303 CA ASP A 24 -10.411 15.724 -11.618 1.00 0.00 C ATOM 304 C ASP A 24 -9.261 15.107 -12.417 1.00 0.00 C ATOM 305 O ASP A 24 -8.664 15.770 -13.264 1.00 0.00 O ATOM 306 CB ASP A 24 -9.807 16.629 -10.542 1.00 0.00 C ATOM 307 CG ASP A 24 -10.753 17.697 -9.990 1.00 0.00 C ATOM 308 OD1 ASP A 24 -11.579 18.190 -10.788 1.00 0.00 O ATOM 309 OD2 ASP A 24 -10.628 17.997 -8.783 1.00 0.00 O ATOM 0 H ASP A 24 -11.258 14.687 -10.006 1.00 0.00 H new ATOM 0 HA ASP A 24 -11.064 16.315 -12.261 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -9.464 16.007 -9.716 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -8.928 17.123 -10.955 1.00 0.00 H new ATOM 313 N ASN A 25 -8.986 13.847 -12.121 1.00 0.00 N ATOM 314 CA ASN A 25 -7.918 13.133 -12.800 1.00 0.00 C ATOM 315 C ASN A 25 -6.575 13.522 -12.179 1.00 0.00 C ATOM 316 O ASN A 25 -5.658 13.938 -12.886 1.00 0.00 O ATOM 317 CB ASN A 25 -7.874 13.493 -14.286 1.00 0.00 C ATOM 318 CG ASN A 25 -9.287 13.612 -14.864 1.00 0.00 C ATOM 319 OD1 ASN A 25 -10.120 12.733 -14.717 1.00 0.00 O ATOM 320 ND2 ASN A 25 -9.506 14.744 -15.526 1.00 0.00 N ATOM 0 H ASN A 25 -9.485 13.300 -11.419 1.00 0.00 H new ATOM 0 HA ASN A 25 -8.105 12.064 -12.693 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -7.342 14.435 -14.420 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -7.317 12.732 -14.832 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -10.417 14.919 -15.949 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -8.763 15.437 -15.610 1.00 0.00 H new ATOM 326 N GLU A 26 -6.501 13.374 -10.865 1.00 0.00 N ATOM 327 CA GLU A 26 -5.285 13.704 -10.141 1.00 0.00 C ATOM 328 C GLU A 26 -4.647 12.436 -9.569 1.00 0.00 C ATOM 329 O GLU A 26 -5.208 11.804 -8.676 1.00 0.00 O ATOM 330 CB GLU A 26 -5.565 14.724 -9.036 1.00 0.00 C ATOM 331 CG GLU A 26 -6.045 16.053 -9.624 1.00 0.00 C ATOM 332 CD GLU A 26 -5.988 17.167 -8.579 1.00 0.00 C ATOM 333 OE1 GLU A 26 -4.870 17.680 -8.355 1.00 0.00 O ATOM 334 OE2 GLU A 26 -7.064 17.482 -8.025 1.00 0.00 O ATOM 0 H GLU A 26 -7.264 13.030 -10.282 1.00 0.00 H new ATOM 0 HA GLU A 26 -4.581 14.158 -10.839 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -6.320 14.330 -8.355 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -4.661 14.887 -8.450 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -5.426 16.321 -10.480 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -7.066 15.945 -9.990 1.00 0.00 H new ATOM 339 N ASP A 27 -3.483 12.104 -10.107 1.00 0.00 N ATOM 340 CA ASP A 27 -2.762 10.923 -9.661 1.00 0.00 C ATOM 341 C ASP A 27 -2.459 11.051 -8.167 1.00 0.00 C ATOM 342 O ASP A 27 -1.443 11.627 -7.782 1.00 0.00 O ATOM 343 CB ASP A 27 -1.431 10.778 -10.402 1.00 0.00 C ATOM 344 CG ASP A 27 -0.403 11.871 -10.106 1.00 0.00 C ATOM 345 OD1 ASP A 27 -0.800 13.055 -10.170 1.00 0.00 O ATOM 346 OD2 ASP A 27 0.756 11.499 -9.823 1.00 0.00 O ATOM 0 H ASP A 27 -3.021 12.632 -10.848 1.00 0.00 H new ATOM 0 HA ASP A 27 -3.384 10.051 -9.863 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -0.995 9.812 -10.148 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -1.629 10.767 -11.474 1.00 0.00 H new ATOM 350 N GLU A 28 -3.361 10.503 -7.364 1.00 0.00 N ATOM 351 CA GLU A 28 -3.203 10.548 -5.921 1.00 0.00 C ATOM 352 C GLU A 28 -2.423 9.325 -5.434 1.00 0.00 C ATOM 353 O GLU A 28 -2.237 8.365 -6.180 1.00 0.00 O ATOM 354 CB GLU A 28 -4.561 10.645 -5.224 1.00 0.00 C ATOM 355 CG GLU A 28 -4.397 11.050 -3.756 1.00 0.00 C ATOM 356 CD GLU A 28 -5.568 11.917 -3.292 1.00 0.00 C ATOM 357 OE1 GLU A 28 -5.508 13.138 -3.549 1.00 0.00 O ATOM 358 OE2 GLU A 28 -6.500 11.339 -2.691 1.00 0.00 O ATOM 0 H GLU A 28 -4.203 10.026 -7.686 1.00 0.00 H new ATOM 0 HA GLU A 28 -2.635 11.442 -5.665 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -5.186 11.375 -5.738 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -5.074 9.685 -5.285 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -4.332 10.157 -3.134 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -3.462 11.596 -3.628 1.00 0.00 H new ATOM 363 N TRP A 29 -1.987 9.399 -4.184 1.00 0.00 N ATOM 364 CA TRP A 29 -1.233 8.310 -3.589 1.00 0.00 C ATOM 365 C TRP A 29 -1.688 8.158 -2.136 1.00 0.00 C ATOM 366 O TRP A 29 -0.907 8.382 -1.211 1.00 0.00 O ATOM 367 CB TRP A 29 0.273 8.549 -3.723 1.00 0.00 C ATOM 368 CG TRP A 29 0.780 8.527 -5.166 1.00 0.00 C ATOM 369 CD1 TRP A 29 0.974 9.567 -5.988 1.00 0.00 C ATOM 370 CD2 TRP A 29 1.153 7.359 -5.928 1.00 0.00 C ATOM 371 NE1 TRP A 29 1.444 9.158 -7.220 1.00 0.00 N ATOM 372 CE2 TRP A 29 1.556 7.773 -7.182 1.00 0.00 C ATOM 373 CE3 TRP A 29 1.151 6.000 -5.570 1.00 0.00 C ATOM 374 CZ2 TRP A 29 1.985 6.888 -8.179 1.00 0.00 C ATOM 375 CZ3 TRP A 29 1.583 5.129 -6.578 1.00 0.00 C ATOM 376 CH2 TRP A 29 1.992 5.528 -7.845 1.00 0.00 C ATOM 0 H TRP A 29 -2.142 10.197 -3.568 1.00 0.00 H new ATOM 0 HA TRP A 29 -1.427 7.374 -4.114 1.00 0.00 H new ATOM 0 HB2 TRP A 29 0.519 9.513 -3.277 1.00 0.00 H new ATOM 0 HB3 TRP A 29 0.804 7.788 -3.151 1.00 0.00 H new ATOM 0 HD1 TRP A 29 0.786 10.596 -5.720 1.00 0.00 H new ATOM 0 HE1 TRP A 29 1.668 9.761 -8.012 1.00 0.00 H new ATOM 0 HE3 TRP A 29 0.841 5.655 -4.595 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 2.294 7.236 -9.154 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 1.600 4.072 -6.355 1.00 0.00 H new ATOM 0 HH2 TRP A 29 2.314 4.793 -8.568 1.00 0.00 H new ATOM 386 N PRO A 30 -2.980 7.768 -1.975 1.00 0.00 N ATOM 387 CA PRO A 30 -3.547 7.584 -0.651 1.00 0.00 C ATOM 388 C PRO A 30 -3.042 6.288 -0.013 1.00 0.00 C ATOM 389 O PRO A 30 -2.727 5.329 -0.715 1.00 0.00 O ATOM 390 CB PRO A 30 -5.053 7.593 -0.863 1.00 0.00 C ATOM 391 CG PRO A 30 -5.267 7.316 -2.342 1.00 0.00 C ATOM 392 CD PRO A 30 -3.932 7.494 -3.048 1.00 0.00 C ATOM 0 HA PRO A 30 -3.251 8.368 0.046 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -5.538 6.834 -0.249 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -5.482 8.554 -0.580 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -5.645 6.304 -2.490 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -6.011 7.998 -2.754 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -3.655 6.598 -3.604 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -3.969 8.315 -3.764 1.00 0.00 H new ATOM 397 N LEU A 31 -2.980 6.303 1.310 1.00 0.00 N ATOM 398 CA LEU A 31 -2.518 5.141 2.051 1.00 0.00 C ATOM 399 C LEU A 31 -3.547 4.017 1.922 1.00 0.00 C ATOM 400 O LEU A 31 -4.735 4.226 2.166 1.00 0.00 O ATOM 401 CB LEU A 31 -2.198 5.520 3.498 1.00 0.00 C ATOM 402 CG LEU A 31 -1.118 4.685 4.188 1.00 0.00 C ATOM 403 CD1 LEU A 31 -1.592 3.247 4.408 1.00 0.00 C ATOM 404 CD2 LEU A 31 0.198 4.741 3.409 1.00 0.00 C ATOM 0 H LEU A 31 -3.242 7.101 1.888 1.00 0.00 H new ATOM 0 HA LEU A 31 -1.584 4.768 1.631 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -1.889 6.565 3.519 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -3.115 5.446 4.083 1.00 0.00 H new ATOM 0 HG LEU A 31 -0.930 5.116 5.172 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -0.805 2.676 4.900 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -2.484 3.250 5.034 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -1.825 2.790 3.446 1.00 0.00 H new ATOM 0 HD21 LEU A 31 0.949 4.139 3.920 1.00 0.00 H new ATOM 0 HD22 LEU A 31 0.043 4.350 2.404 1.00 0.00 H new ATOM 0 HD23 LEU A 31 0.541 5.774 3.347 1.00 0.00 H new ATOM 415 N ALA A 32 -3.055 2.848 1.537 1.00 0.00 N ATOM 416 CA ALA A 32 -3.918 1.690 1.373 1.00 0.00 C ATOM 417 C ALA A 32 -3.271 0.479 2.047 1.00 0.00 C ATOM 418 O ALA A 32 -2.048 0.354 2.066 1.00 0.00 O ATOM 419 CB ALA A 32 -4.183 1.458 -0.115 1.00 0.00 C ATOM 0 H ALA A 32 -2.070 2.678 1.334 1.00 0.00 H new ATOM 0 HA ALA A 32 -4.882 1.858 1.853 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -4.830 0.590 -0.238 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -4.670 2.336 -0.539 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -3.238 1.282 -0.630 1.00 0.00 H new ATOM 425 N GLU A 33 -4.122 -0.385 2.583 1.00 0.00 N ATOM 426 CA GLU A 33 -3.649 -1.582 3.255 1.00 0.00 C ATOM 427 C GLU A 33 -4.073 -2.830 2.478 1.00 0.00 C ATOM 428 O GLU A 33 -5.219 -2.935 2.042 1.00 0.00 O ATOM 429 CB GLU A 33 -4.154 -1.637 4.698 1.00 0.00 C ATOM 430 CG GLU A 33 -3.441 -2.737 5.488 1.00 0.00 C ATOM 431 CD GLU A 33 -4.315 -3.239 6.639 1.00 0.00 C ATOM 432 OE1 GLU A 33 -4.541 -2.438 7.571 1.00 0.00 O ATOM 433 OE2 GLU A 33 -4.737 -4.413 6.561 1.00 0.00 O ATOM 0 H GLU A 33 -5.136 -0.279 2.565 1.00 0.00 H new ATOM 0 HA GLU A 33 -2.560 -1.550 3.287 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -3.991 -0.674 5.181 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -5.229 -1.819 4.704 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -3.196 -3.566 4.824 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -2.499 -2.355 5.882 1.00 0.00 H new ATOM 438 N ILE A 34 -3.126 -3.745 2.328 1.00 0.00 N ATOM 439 CA ILE A 34 -3.388 -4.982 1.611 1.00 0.00 C ATOM 440 C ILE A 34 -4.397 -5.819 2.399 1.00 0.00 C ATOM 441 O ILE A 34 -4.383 -5.821 3.629 1.00 0.00 O ATOM 442 CB ILE A 34 -2.079 -5.716 1.314 1.00 0.00 C ATOM 443 CG1 ILE A 34 -1.090 -4.801 0.588 1.00 0.00 C ATOM 444 CG2 ILE A 34 -2.339 -7.009 0.539 1.00 0.00 C ATOM 445 CD1 ILE A 34 -1.355 -4.794 -0.919 1.00 0.00 C ATOM 0 H ILE A 34 -2.177 -3.655 2.690 1.00 0.00 H new ATOM 0 HA ILE A 34 -3.837 -4.772 0.640 1.00 0.00 H new ATOM 0 HB ILE A 34 -1.621 -5.996 2.263 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -1.172 -3.787 0.980 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -0.071 -5.136 0.780 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -1.392 -7.511 0.341 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -2.981 -7.664 1.129 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -2.830 -6.775 -0.406 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -0.639 -4.136 -1.411 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -1.249 -5.805 -1.312 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -2.367 -4.436 -1.109 1.00 0.00 H new ATOM 456 N LEU A 35 -5.251 -6.510 1.658 1.00 0.00 N ATOM 457 CA LEU A 35 -6.266 -7.351 2.272 1.00 0.00 C ATOM 458 C LEU A 35 -6.127 -8.779 1.742 1.00 0.00 C ATOM 459 O LEU A 35 -6.018 -9.725 2.520 1.00 0.00 O ATOM 460 CB LEU A 35 -7.657 -6.749 2.063 1.00 0.00 C ATOM 461 CG LEU A 35 -7.825 -5.286 2.483 1.00 0.00 C ATOM 462 CD1 LEU A 35 -9.243 -4.792 2.191 1.00 0.00 C ATOM 463 CD2 LEU A 35 -7.440 -5.090 3.950 1.00 0.00 C ATOM 0 H LEU A 35 -5.261 -6.505 0.638 1.00 0.00 H new ATOM 0 HA LEU A 35 -6.123 -7.397 3.352 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -7.914 -6.835 1.007 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -8.378 -7.350 2.616 1.00 0.00 H new ATOM 0 HG LEU A 35 -7.144 -4.678 1.888 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -9.336 -3.750 2.499 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -9.444 -4.874 1.123 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -9.961 -5.399 2.743 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -7.568 -4.043 4.223 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -8.078 -5.710 4.580 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -6.399 -5.378 4.094 1.00 0.00 H new ATOM 474 N SER A 36 -6.138 -8.890 0.421 1.00 0.00 N ATOM 475 CA SER A 36 -6.015 -10.187 -0.221 1.00 0.00 C ATOM 476 C SER A 36 -5.349 -10.032 -1.590 1.00 0.00 C ATOM 477 O SER A 36 -5.588 -9.052 -2.293 1.00 0.00 O ATOM 478 CB SER A 36 -7.382 -10.860 -0.369 1.00 0.00 C ATOM 479 OG SER A 36 -7.319 -12.259 -0.108 1.00 0.00 O ATOM 0 H SER A 36 -6.230 -8.103 -0.221 1.00 0.00 H new ATOM 0 HA SER A 36 -5.393 -10.823 0.409 1.00 0.00 H new ATOM 0 HB2 SER A 36 -8.091 -10.395 0.316 1.00 0.00 H new ATOM 0 HB3 SER A 36 -7.759 -10.696 -1.378 1.00 0.00 H new ATOM 0 HG SER A 36 -6.779 -12.418 0.694 1.00 0.00 H new ATOM 484 N VAL A 37 -4.526 -11.015 -1.926 1.00 0.00 N ATOM 485 CA VAL A 37 -3.823 -11.000 -3.198 1.00 0.00 C ATOM 486 C VAL A 37 -4.458 -12.026 -4.139 1.00 0.00 C ATOM 487 O VAL A 37 -5.261 -12.853 -3.709 1.00 0.00 O ATOM 488 CB VAL A 37 -2.329 -11.239 -2.973 1.00 0.00 C ATOM 489 CG1 VAL A 37 -1.578 -11.311 -4.304 1.00 0.00 C ATOM 490 CG2 VAL A 37 -1.732 -10.161 -2.065 1.00 0.00 C ATOM 0 H VAL A 37 -4.330 -11.827 -1.340 1.00 0.00 H new ATOM 0 HA VAL A 37 -3.914 -10.023 -3.673 1.00 0.00 H new ATOM 0 HB VAL A 37 -2.216 -12.200 -2.472 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -0.518 -11.482 -4.115 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -1.976 -12.130 -4.903 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -1.704 -10.373 -4.844 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -0.669 -10.354 -1.921 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -1.864 -9.182 -2.527 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -2.238 -10.178 -1.100 1.00 0.00 H new ATOM 500 N LYS A 38 -4.074 -11.939 -5.404 1.00 0.00 N ATOM 501 CA LYS A 38 -4.595 -12.851 -6.408 1.00 0.00 C ATOM 502 C LYS A 38 -3.633 -12.896 -7.597 1.00 0.00 C ATOM 503 O LYS A 38 -2.591 -12.241 -7.583 1.00 0.00 O ATOM 504 CB LYS A 38 -6.026 -12.466 -6.789 1.00 0.00 C ATOM 505 CG LYS A 38 -6.829 -13.697 -7.217 1.00 0.00 C ATOM 506 CD LYS A 38 -7.241 -13.598 -8.687 1.00 0.00 C ATOM 507 CE LYS A 38 -8.764 -13.546 -8.827 1.00 0.00 C ATOM 508 NZ LYS A 38 -9.370 -14.815 -8.366 1.00 0.00 N ATOM 0 H LYS A 38 -3.408 -11.251 -5.757 1.00 0.00 H new ATOM 0 HA LYS A 38 -4.657 -13.863 -6.009 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -6.515 -11.985 -5.942 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -6.007 -11.739 -7.601 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -6.233 -14.596 -7.062 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -7.717 -13.792 -6.592 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -6.801 -12.706 -9.133 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -6.851 -14.455 -9.236 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -9.161 -12.714 -8.245 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -9.034 -13.364 -9.867 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -10.290 -14.950 -8.832 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -8.741 -15.608 -8.606 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -9.505 -14.781 -7.335 1.00 0.00 H new ATOM 518 N ASP A 39 -4.017 -13.675 -8.598 1.00 0.00 N ATOM 519 CA ASP A 39 -3.202 -13.814 -9.793 1.00 0.00 C ATOM 520 C ASP A 39 -4.066 -14.353 -10.934 1.00 0.00 C ATOM 521 O ASP A 39 -4.659 -15.424 -10.815 1.00 0.00 O ATOM 522 CB ASP A 39 -2.052 -14.797 -9.564 1.00 0.00 C ATOM 523 CG ASP A 39 -1.493 -15.444 -10.832 1.00 0.00 C ATOM 524 OD1 ASP A 39 -0.772 -14.731 -11.563 1.00 0.00 O ATOM 525 OD2 ASP A 39 -1.799 -16.637 -11.043 1.00 0.00 O ATOM 0 H ASP A 39 -4.882 -14.216 -8.606 1.00 0.00 H new ATOM 0 HA ASP A 39 -2.794 -12.834 -10.039 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -1.243 -14.274 -9.054 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -2.395 -15.585 -8.893 1.00 0.00 H new ATOM 529 N ILE A 40 -4.108 -13.588 -12.016 1.00 0.00 N ATOM 530 CA ILE A 40 -4.890 -13.976 -13.177 1.00 0.00 C ATOM 531 C ILE A 40 -3.995 -13.954 -14.418 1.00 0.00 C ATOM 532 O ILE A 40 -4.094 -13.047 -15.243 1.00 0.00 O ATOM 533 CB ILE A 40 -6.136 -13.099 -13.302 1.00 0.00 C ATOM 534 CG1 ILE A 40 -6.997 -13.187 -12.040 1.00 0.00 C ATOM 535 CG2 ILE A 40 -6.930 -13.448 -14.562 1.00 0.00 C ATOM 536 CD1 ILE A 40 -7.632 -11.833 -11.715 1.00 0.00 C ATOM 0 H ILE A 40 -3.613 -12.701 -12.112 1.00 0.00 H new ATOM 0 HA ILE A 40 -5.258 -14.996 -13.065 1.00 0.00 H new ATOM 0 HB ILE A 40 -5.814 -12.062 -13.402 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -7.778 -13.935 -12.179 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -6.385 -13.517 -11.200 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -7.811 -12.809 -14.626 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -6.305 -13.292 -15.441 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -7.241 -14.492 -14.518 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -8.239 -11.923 -10.814 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -6.848 -11.093 -11.553 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -8.262 -11.518 -12.547 1.00 0.00 H new ATOM 547 N SER A 41 -3.141 -14.963 -14.511 1.00 0.00 N ATOM 548 CA SER A 41 -2.230 -15.070 -15.639 1.00 0.00 C ATOM 549 C SER A 41 -1.144 -13.998 -15.537 1.00 0.00 C ATOM 550 O SER A 41 -0.915 -13.250 -16.486 1.00 0.00 O ATOM 551 CB SER A 41 -2.979 -14.944 -16.967 1.00 0.00 C ATOM 552 OG SER A 41 -2.568 -15.931 -17.908 1.00 0.00 O ATOM 0 H SER A 41 -3.060 -15.713 -13.825 1.00 0.00 H new ATOM 0 HA SER A 41 -1.763 -16.055 -15.610 1.00 0.00 H new ATOM 0 HB2 SER A 41 -4.050 -15.037 -16.789 1.00 0.00 H new ATOM 0 HB3 SER A 41 -2.810 -13.952 -17.386 1.00 0.00 H new ATOM 0 HG SER A 41 -3.071 -15.818 -18.742 1.00 0.00 H new ATOM 557 N GLY A 42 -0.503 -13.958 -14.378 1.00 0.00 N ATOM 558 CA GLY A 42 0.554 -12.990 -14.140 1.00 0.00 C ATOM 559 C GLY A 42 -0.011 -11.696 -13.551 1.00 0.00 C ATOM 560 O GLY A 42 0.695 -10.967 -12.855 1.00 0.00 O ATOM 0 H GLY A 42 -0.695 -14.581 -13.593 1.00 0.00 H new ATOM 0 HA2 GLY A 42 1.292 -13.412 -13.458 1.00 0.00 H new ATOM 0 HA3 GLY A 42 1.071 -12.773 -15.075 1.00 0.00 H new ATOM 564 N ARG A 43 -1.277 -11.450 -13.851 1.00 0.00 N ATOM 565 CA ARG A 43 -1.945 -10.257 -13.360 1.00 0.00 C ATOM 566 C ARG A 43 -2.325 -10.428 -11.887 1.00 0.00 C ATOM 567 O ARG A 43 -3.443 -10.836 -11.575 1.00 0.00 O ATOM 568 CB ARG A 43 -3.205 -9.956 -14.174 1.00 0.00 C ATOM 569 CG ARG A 43 -3.499 -8.454 -14.195 1.00 0.00 C ATOM 570 CD ARG A 43 -4.460 -8.067 -13.069 1.00 0.00 C ATOM 571 NE ARG A 43 -5.517 -7.174 -13.592 1.00 0.00 N ATOM 572 CZ ARG A 43 -6.579 -7.596 -14.292 1.00 0.00 C ATOM 573 NH1 ARG A 43 -6.731 -8.900 -14.558 1.00 0.00 N ATOM 574 NH2 ARG A 43 -7.490 -6.713 -14.726 1.00 0.00 N ATOM 0 H ARG A 43 -1.859 -12.057 -14.429 1.00 0.00 H new ATOM 0 HA ARG A 43 -1.251 -9.423 -13.465 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -3.079 -10.320 -15.194 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -4.054 -10.490 -13.748 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -2.568 -7.896 -14.091 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -3.931 -8.178 -15.157 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -4.909 -8.962 -12.639 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -3.914 -7.568 -12.269 1.00 0.00 H new ATOM 0 HE ARG A 43 -5.432 -6.174 -13.408 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -6.038 -9.572 -14.228 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -7.539 -9.221 -15.091 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -7.375 -5.720 -14.523 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -8.298 -7.034 -15.259 1.00 0.00 H new ATOM 585 N LYS A 44 -1.373 -10.110 -11.023 1.00 0.00 N ATOM 586 CA LYS A 44 -1.594 -10.224 -9.591 1.00 0.00 C ATOM 587 C LYS A 44 -2.527 -9.102 -9.132 1.00 0.00 C ATOM 588 O LYS A 44 -2.265 -7.928 -9.391 1.00 0.00 O ATOM 589 CB LYS A 44 -0.260 -10.259 -8.843 1.00 0.00 C ATOM 590 CG LYS A 44 0.121 -11.692 -8.467 1.00 0.00 C ATOM 591 CD LYS A 44 0.516 -11.785 -6.992 1.00 0.00 C ATOM 592 CE LYS A 44 1.895 -11.167 -6.753 1.00 0.00 C ATOM 593 NZ LYS A 44 2.166 -11.047 -5.304 1.00 0.00 N ATOM 0 H LYS A 44 -0.447 -9.773 -11.286 1.00 0.00 H new ATOM 0 HA LYS A 44 -2.089 -11.167 -9.357 1.00 0.00 H new ATOM 0 HB2 LYS A 44 0.521 -9.823 -9.465 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -0.328 -9.649 -7.942 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -0.718 -12.359 -8.665 1.00 0.00 H new ATOM 0 HG3 LYS A 44 0.949 -12.027 -9.091 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -0.227 -11.273 -6.380 1.00 0.00 H new ATOM 0 HD3 LYS A 44 0.522 -12.829 -6.679 1.00 0.00 H new ATOM 0 HE2 LYS A 44 2.662 -11.783 -7.222 1.00 0.00 H new ATOM 0 HE3 LYS A 44 1.945 -10.184 -7.221 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 3.154 -11.309 -5.113 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 2.003 -10.066 -5.000 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 1.532 -11.682 -4.778 1.00 0.00 H new ATOM 603 N LEU A 45 -3.596 -9.502 -8.460 1.00 0.00 N ATOM 604 CA LEU A 45 -4.570 -8.544 -7.963 1.00 0.00 C ATOM 605 C LEU A 45 -4.435 -8.429 -6.443 1.00 0.00 C ATOM 606 O LEU A 45 -4.050 -9.389 -5.776 1.00 0.00 O ATOM 607 CB LEU A 45 -5.977 -8.920 -8.429 1.00 0.00 C ATOM 608 CG LEU A 45 -6.586 -8.027 -9.513 1.00 0.00 C ATOM 609 CD1 LEU A 45 -5.494 -7.399 -10.381 1.00 0.00 C ATOM 610 CD2 LEU A 45 -7.609 -8.800 -10.349 1.00 0.00 C ATOM 0 H LEU A 45 -3.810 -10.477 -8.248 1.00 0.00 H new ATOM 0 HA LEU A 45 -4.377 -7.554 -8.377 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -5.953 -9.944 -8.801 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -6.640 -8.910 -7.564 1.00 0.00 H new ATOM 0 HG LEU A 45 -7.119 -7.211 -9.025 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -5.952 -6.769 -11.143 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -4.837 -6.793 -9.757 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -4.914 -8.186 -10.862 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -8.027 -8.143 -11.112 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -7.121 -9.648 -10.829 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -8.409 -9.160 -9.703 1.00 0.00 H new ATOM 621 N PHE A 46 -4.760 -7.248 -5.940 1.00 0.00 N ATOM 622 CA PHE A 46 -4.680 -6.994 -4.512 1.00 0.00 C ATOM 623 C PHE A 46 -5.825 -6.091 -4.050 1.00 0.00 C ATOM 624 O PHE A 46 -6.032 -5.012 -4.603 1.00 0.00 O ATOM 625 CB PHE A 46 -3.350 -6.282 -4.256 1.00 0.00 C ATOM 626 CG PHE A 46 -2.152 -6.934 -4.952 1.00 0.00 C ATOM 627 CD1 PHE A 46 -1.855 -6.610 -6.239 1.00 0.00 C ATOM 628 CD2 PHE A 46 -1.385 -7.834 -4.283 1.00 0.00 C ATOM 629 CE1 PHE A 46 -0.745 -7.214 -6.884 1.00 0.00 C ATOM 630 CE2 PHE A 46 -0.273 -8.438 -4.928 1.00 0.00 C ATOM 631 CZ PHE A 46 0.024 -8.115 -6.215 1.00 0.00 C ATOM 0 H PHE A 46 -5.080 -6.455 -6.497 1.00 0.00 H new ATOM 0 HA PHE A 46 -4.750 -7.934 -3.964 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -3.433 -5.248 -4.590 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -3.164 -6.256 -3.182 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -2.464 -5.893 -6.770 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -1.621 -8.090 -3.261 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -0.510 -6.958 -7.907 1.00 0.00 H new ATOM 0 HE2 PHE A 46 0.337 -9.154 -4.396 1.00 0.00 H new ATOM 0 HZ PHE A 46 0.870 -8.573 -6.706 1.00 0.00 H new ATOM 640 N TYR A 47 -6.540 -6.564 -3.040 1.00 0.00 N ATOM 641 CA TYR A 47 -7.659 -5.813 -2.497 1.00 0.00 C ATOM 642 C TYR A 47 -7.193 -4.844 -1.409 1.00 0.00 C ATOM 643 O TYR A 47 -7.105 -5.214 -0.239 1.00 0.00 O ATOM 644 CB TYR A 47 -8.598 -6.848 -1.874 1.00 0.00 C ATOM 645 CG TYR A 47 -10.005 -6.318 -1.589 1.00 0.00 C ATOM 646 CD1 TYR A 47 -10.654 -5.541 -2.528 1.00 0.00 C ATOM 647 CD2 TYR A 47 -10.627 -6.617 -0.393 1.00 0.00 C ATOM 648 CE1 TYR A 47 -11.978 -5.043 -2.260 1.00 0.00 C ATOM 649 CE2 TYR A 47 -11.951 -6.118 -0.125 1.00 0.00 C ATOM 650 CZ TYR A 47 -12.561 -5.356 -1.072 1.00 0.00 C ATOM 651 OH TYR A 47 -13.812 -4.886 -0.819 1.00 0.00 O ATOM 0 H TYR A 47 -6.366 -7.459 -2.583 1.00 0.00 H new ATOM 0 HA TYR A 47 -8.142 -5.226 -3.278 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -8.672 -7.706 -2.543 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -8.160 -7.207 -0.943 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -10.168 -5.307 -3.464 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -10.120 -7.225 0.342 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -12.497 -4.435 -2.986 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -12.448 -6.344 0.807 1.00 0.00 H new ATOM 0 HH TYR A 47 -14.103 -5.189 0.066 1.00 0.00 H new ATOM 660 N VAL A 48 -6.906 -3.622 -1.833 1.00 0.00 N ATOM 661 CA VAL A 48 -6.451 -2.596 -0.910 1.00 0.00 C ATOM 662 C VAL A 48 -7.644 -1.747 -0.470 1.00 0.00 C ATOM 663 O VAL A 48 -8.639 -1.649 -1.187 1.00 0.00 O ATOM 664 CB VAL A 48 -5.333 -1.773 -1.553 1.00 0.00 C ATOM 665 CG1 VAL A 48 -4.158 -2.664 -1.957 1.00 0.00 C ATOM 666 CG2 VAL A 48 -5.858 -0.978 -2.751 1.00 0.00 C ATOM 0 H VAL A 48 -6.980 -3.319 -2.804 1.00 0.00 H new ATOM 0 HA VAL A 48 -6.027 -3.048 -0.013 1.00 0.00 H new ATOM 0 HB VAL A 48 -4.972 -1.061 -0.811 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -3.378 -2.053 -2.411 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -3.760 -3.164 -1.074 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -4.498 -3.411 -2.674 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -5.044 -0.402 -3.190 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -6.259 -1.665 -3.496 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -6.645 -0.300 -2.421 1.00 0.00 H new ATOM 676 N HIS A 49 -7.506 -1.152 0.706 1.00 0.00 N ATOM 677 CA HIS A 49 -8.559 -0.313 1.250 1.00 0.00 C ATOM 678 C HIS A 49 -7.974 1.035 1.675 1.00 0.00 C ATOM 679 O HIS A 49 -7.147 1.098 2.584 1.00 0.00 O ATOM 680 CB HIS A 49 -9.291 -1.028 2.388 1.00 0.00 C ATOM 681 CG HIS A 49 -10.159 -0.121 3.226 1.00 0.00 C ATOM 682 ND1 HIS A 49 -11.306 0.481 2.737 1.00 0.00 N ATOM 683 CD2 HIS A 49 -10.037 0.280 4.524 1.00 0.00 C ATOM 684 CE1 HIS A 49 -11.841 1.209 3.706 1.00 0.00 C ATOM 685 NE2 HIS A 49 -11.053 1.084 4.812 1.00 0.00 N ATOM 0 H HIS A 49 -6.679 -1.235 1.298 1.00 0.00 H new ATOM 0 HA HIS A 49 -9.307 -0.118 0.481 1.00 0.00 H new ATOM 0 HB2 HIS A 49 -9.911 -1.819 1.967 1.00 0.00 H new ATOM 0 HB3 HIS A 49 -8.556 -1.508 3.034 1.00 0.00 H new ATOM 0 HD2 HIS A 49 -9.248 -0.008 5.202 1.00 0.00 H new ATOM 0 HE1 HIS A 49 -12.743 1.798 3.633 1.00 0.00 H new ATOM 0 HE2 HIS A 49 -11.217 1.534 5.712 1.00 0.00 H new ATOM 692 N TYR A 50 -8.427 2.080 0.999 1.00 0.00 N ATOM 693 CA TYR A 50 -7.960 3.423 1.297 1.00 0.00 C ATOM 694 C TYR A 50 -8.260 3.800 2.748 1.00 0.00 C ATOM 695 O TYR A 50 -9.405 3.720 3.190 1.00 0.00 O ATOM 696 CB TYR A 50 -8.739 4.356 0.367 1.00 0.00 C ATOM 697 CG TYR A 50 -8.619 4.000 -1.116 1.00 0.00 C ATOM 698 CD1 TYR A 50 -7.375 3.848 -1.691 1.00 0.00 C ATOM 699 CD2 TYR A 50 -9.757 3.832 -1.879 1.00 0.00 C ATOM 700 CE1 TYR A 50 -7.262 3.514 -3.087 1.00 0.00 C ATOM 701 CE2 TYR A 50 -9.645 3.497 -3.275 1.00 0.00 C ATOM 702 CZ TYR A 50 -8.403 3.355 -3.810 1.00 0.00 C ATOM 703 OH TYR A 50 -8.297 3.038 -5.128 1.00 0.00 O ATOM 0 H TYR A 50 -9.113 2.024 0.246 1.00 0.00 H new ATOM 0 HA TYR A 50 -6.882 3.495 1.154 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -9.791 4.338 0.650 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -8.386 5.377 0.515 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -6.485 3.980 -1.094 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -10.731 3.952 -1.429 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -6.294 3.393 -3.549 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -10.527 3.362 -3.883 1.00 0.00 H new ATOM 0 HH TYR A 50 -7.479 2.519 -5.275 1.00 0.00 H new ATOM 712 N ILE A 51 -7.211 4.204 3.451 1.00 0.00 N ATOM 713 CA ILE A 51 -7.348 4.593 4.843 1.00 0.00 C ATOM 714 C ILE A 51 -7.191 6.110 4.962 1.00 0.00 C ATOM 715 O ILE A 51 -6.697 6.610 5.973 1.00 0.00 O ATOM 716 CB ILE A 51 -6.374 3.803 5.720 1.00 0.00 C ATOM 717 CG1 ILE A 51 -4.985 3.747 5.081 1.00 0.00 C ATOM 718 CG2 ILE A 51 -6.921 2.407 6.027 1.00 0.00 C ATOM 719 CD1 ILE A 51 -4.770 2.418 4.353 1.00 0.00 C ATOM 0 H ILE A 51 -6.263 4.270 3.081 1.00 0.00 H new ATOM 0 HA ILE A 51 -8.344 4.345 5.211 1.00 0.00 H new ATOM 0 HB ILE A 51 -6.270 4.324 6.672 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -4.870 4.573 4.379 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -4.222 3.873 5.849 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -6.210 1.867 6.652 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -7.871 2.496 6.553 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -7.072 1.862 5.095 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -3.775 2.404 3.908 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -4.862 1.596 5.062 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -5.520 2.307 3.570 1.00 0.00 H new ATOM 844 N GLU A 59 -11.142 -1.848 -2.793 1.00 0.00 N ATOM 845 CA GLU A 59 -11.188 -2.246 -4.190 1.00 0.00 C ATOM 846 C GLU A 59 -9.871 -2.912 -4.595 1.00 0.00 C ATOM 847 O GLU A 59 -8.833 -2.665 -3.983 1.00 0.00 O ATOM 848 CB GLU A 59 -11.498 -1.050 -5.090 1.00 0.00 C ATOM 849 CG GLU A 59 -10.297 -0.107 -5.183 1.00 0.00 C ATOM 850 CD GLU A 59 -10.543 0.995 -6.215 1.00 0.00 C ATOM 851 OE1 GLU A 59 -11.497 1.773 -5.997 1.00 0.00 O ATOM 852 OE2 GLU A 59 -9.771 1.037 -7.197 1.00 0.00 O ATOM 0 HA GLU A 59 -11.992 -2.971 -4.316 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -11.768 -1.400 -6.086 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -12.360 -0.509 -4.698 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -10.105 0.340 -4.208 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -9.406 -0.673 -5.456 1.00 0.00 H new ATOM 857 N TRP A 60 -9.957 -3.743 -5.624 1.00 0.00 N ATOM 858 CA TRP A 60 -8.784 -4.445 -6.118 1.00 0.00 C ATOM 859 C TRP A 60 -7.916 -3.439 -6.877 1.00 0.00 C ATOM 860 O TRP A 60 -8.416 -2.427 -7.367 1.00 0.00 O ATOM 861 CB TRP A 60 -9.186 -5.651 -6.970 1.00 0.00 C ATOM 862 CG TRP A 60 -9.986 -6.711 -6.209 1.00 0.00 C ATOM 863 CD1 TRP A 60 -11.303 -6.733 -5.965 1.00 0.00 C ATOM 864 CD2 TRP A 60 -9.462 -7.910 -5.600 1.00 0.00 C ATOM 865 NE1 TRP A 60 -11.665 -7.854 -5.246 1.00 0.00 N ATOM 866 CE2 TRP A 60 -10.509 -8.592 -5.017 1.00 0.00 C ATOM 867 CE3 TRP A 60 -8.146 -8.401 -5.544 1.00 0.00 C ATOM 868 CZ2 TRP A 60 -10.351 -9.805 -4.337 1.00 0.00 C ATOM 869 CZ3 TRP A 60 -8.003 -9.615 -4.860 1.00 0.00 C ATOM 870 CH2 TRP A 60 -9.047 -10.314 -4.267 1.00 0.00 C ATOM 0 H TRP A 60 -10.820 -3.946 -6.129 1.00 0.00 H new ATOM 0 HA TRP A 60 -8.202 -4.853 -5.292 1.00 0.00 H new ATOM 0 HB2 TRP A 60 -9.777 -5.304 -7.818 1.00 0.00 H new ATOM 0 HB3 TRP A 60 -8.286 -6.112 -7.377 1.00 0.00 H new ATOM 0 HD1 TRP A 60 -11.994 -5.970 -6.290 1.00 0.00 H new ATOM 0 HE1 TRP A 60 -12.607 -8.096 -4.939 1.00 0.00 H new ATOM 0 HE3 TRP A 60 -7.311 -7.883 -5.993 1.00 0.00 H new ATOM 0 HZ2 TRP A 60 -11.188 -10.321 -3.891 1.00 0.00 H new ATOM 0 HZ3 TRP A 60 -7.012 -10.037 -4.789 1.00 0.00 H new ATOM 0 HH2 TRP A 60 -8.855 -11.245 -3.755 1.00 0.00 H new ATOM 880 N VAL A 61 -6.632 -3.753 -6.952 1.00 0.00 N ATOM 881 CA VAL A 61 -5.688 -2.890 -7.643 1.00 0.00 C ATOM 882 C VAL A 61 -4.566 -3.742 -8.237 1.00 0.00 C ATOM 883 O VAL A 61 -4.534 -4.957 -8.044 1.00 0.00 O ATOM 884 CB VAL A 61 -5.177 -1.807 -6.692 1.00 0.00 C ATOM 885 CG1 VAL A 61 -6.298 -0.837 -6.311 1.00 0.00 C ATOM 886 CG2 VAL A 61 -4.542 -2.427 -5.445 1.00 0.00 C ATOM 0 H VAL A 61 -6.222 -4.594 -6.545 1.00 0.00 H new ATOM 0 HA VAL A 61 -6.176 -2.374 -8.470 1.00 0.00 H new ATOM 0 HB VAL A 61 -4.406 -1.240 -7.214 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -5.907 -0.077 -5.634 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -6.685 -0.358 -7.210 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -7.101 -1.385 -5.817 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -4.187 -1.635 -4.786 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -5.283 -3.030 -4.921 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -3.703 -3.058 -5.739 1.00 0.00 H new ATOM 896 N THR A 62 -3.672 -3.071 -8.950 1.00 0.00 N ATOM 897 CA THR A 62 -2.550 -3.752 -9.575 1.00 0.00 C ATOM 898 C THR A 62 -1.245 -3.402 -8.854 1.00 0.00 C ATOM 899 O THR A 62 -1.223 -2.521 -7.996 1.00 0.00 O ATOM 900 CB THR A 62 -2.541 -3.384 -11.060 1.00 0.00 C ATOM 901 OG1 THR A 62 -2.572 -1.960 -11.065 1.00 0.00 O ATOM 902 CG2 THR A 62 -3.836 -3.787 -11.769 1.00 0.00 C ATOM 0 H THR A 62 -3.702 -2.064 -9.109 1.00 0.00 H new ATOM 0 HA THR A 62 -2.650 -4.834 -9.494 1.00 0.00 H new ATOM 0 HB THR A 62 -1.694 -3.865 -11.549 1.00 0.00 H new ATOM 0 HG1 THR A 62 -2.567 -1.636 -11.990 1.00 0.00 H new ATOM 0 HG21 THR A 62 -3.779 -3.504 -12.820 1.00 0.00 H new ATOM 0 HG22 THR A 62 -3.973 -4.865 -11.691 1.00 0.00 H new ATOM 0 HG23 THR A 62 -4.680 -3.279 -11.302 1.00 0.00 H new ATOM 910 N HIS A 63 -0.191 -4.110 -9.231 1.00 0.00 N ATOM 911 CA HIS A 63 1.114 -3.885 -8.633 1.00 0.00 C ATOM 912 C HIS A 63 1.661 -2.530 -9.087 1.00 0.00 C ATOM 913 O HIS A 63 2.503 -1.939 -8.413 1.00 0.00 O ATOM 914 CB HIS A 63 2.062 -5.043 -8.948 1.00 0.00 C ATOM 915 CG HIS A 63 3.516 -4.739 -8.670 1.00 0.00 C ATOM 916 ND1 HIS A 63 4.097 -3.971 -7.704 1.00 0.00 N flip ATOM 917 CD2 HIS A 63 4.548 -5.252 -9.435 1.00 0.00 C flip ATOM 918 CE1 HIS A 63 5.413 -4.012 -7.871 1.00 0.00 C flip ATOM 919 NE2 HIS A 63 5.695 -4.805 -8.944 1.00 0.00 N flip ATOM 0 H HIS A 63 -0.214 -4.840 -9.943 1.00 0.00 H new ATOM 0 HA HIS A 63 1.020 -3.854 -7.548 1.00 0.00 H new ATOM 0 HB2 HIS A 63 1.765 -5.912 -8.362 1.00 0.00 H new ATOM 0 HB3 HIS A 63 1.952 -5.314 -9.998 1.00 0.00 H new ATOM 0 HD1 HIS A 63 3.604 -3.453 -6.977 1.00 0.00 H new ATOM 0 HD2 HIS A 63 4.438 -5.906 -10.288 1.00 0.00 H new ATOM 0 HE1 HIS A 63 6.141 -3.501 -7.258 1.00 0.00 H new ATOM 926 N GLU A 64 1.158 -2.077 -10.227 1.00 0.00 N ATOM 927 CA GLU A 64 1.586 -0.803 -10.778 1.00 0.00 C ATOM 928 C GLU A 64 1.223 0.337 -9.825 1.00 0.00 C ATOM 929 O GLU A 64 1.961 1.314 -9.710 1.00 0.00 O ATOM 930 CB GLU A 64 0.978 -0.575 -12.164 1.00 0.00 C ATOM 931 CG GLU A 64 1.792 0.450 -12.957 1.00 0.00 C ATOM 932 CD GLU A 64 1.393 0.442 -14.435 1.00 0.00 C ATOM 933 OE1 GLU A 64 1.457 -0.654 -15.034 1.00 0.00 O ATOM 934 OE2 GLU A 64 1.033 1.530 -14.931 1.00 0.00 O ATOM 0 H GLU A 64 0.459 -2.569 -10.783 1.00 0.00 H new ATOM 0 HA GLU A 64 2.670 -0.823 -10.891 1.00 0.00 H new ATOM 0 HB2 GLU A 64 0.943 -1.518 -12.710 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -0.050 -0.228 -12.062 1.00 0.00 H new ATOM 0 HG2 GLU A 64 1.636 1.445 -12.540 1.00 0.00 H new ATOM 0 HG3 GLU A 64 2.855 0.228 -12.862 1.00 0.00 H new ATOM 939 N ARG A 65 0.085 0.175 -9.166 1.00 0.00 N ATOM 940 CA ARG A 65 -0.386 1.178 -8.226 1.00 0.00 C ATOM 941 C ARG A 65 0.340 1.034 -6.887 1.00 0.00 C ATOM 942 O ARG A 65 0.571 2.022 -6.193 1.00 0.00 O ATOM 943 CB ARG A 65 -1.893 1.055 -7.998 1.00 0.00 C ATOM 944 CG ARG A 65 -2.676 1.557 -9.213 1.00 0.00 C ATOM 945 CD ARG A 65 -3.752 0.551 -9.625 1.00 0.00 C ATOM 946 NE ARG A 65 -5.012 1.261 -9.941 1.00 0.00 N ATOM 947 CZ ARG A 65 -6.104 0.666 -10.443 1.00 0.00 C ATOM 948 NH1 ARG A 65 -6.095 -0.651 -10.691 1.00 0.00 N ATOM 949 NH2 ARG A 65 -7.202 1.389 -10.698 1.00 0.00 N ATOM 0 H ARG A 65 -0.525 -0.636 -9.265 1.00 0.00 H new ATOM 0 HA ARG A 65 -0.174 2.158 -8.654 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -2.150 0.014 -7.800 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -2.178 1.627 -7.115 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -3.139 2.516 -8.981 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -1.993 1.726 -10.046 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -3.417 -0.017 -10.493 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -3.920 -0.165 -8.820 1.00 0.00 H new ATOM 0 HE ARG A 65 -5.052 2.265 -9.766 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -5.258 -1.201 -10.498 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -6.925 -1.104 -11.073 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -7.207 2.392 -10.510 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -8.033 0.937 -11.080 1.00 0.00 H new ATOM 960 N LEU A 66 0.679 -0.206 -6.566 1.00 0.00 N ATOM 961 CA LEU A 66 1.374 -0.493 -5.322 1.00 0.00 C ATOM 962 C LEU A 66 2.767 0.137 -5.364 1.00 0.00 C ATOM 963 O LEU A 66 3.564 -0.166 -6.249 1.00 0.00 O ATOM 964 CB LEU A 66 1.389 -2.000 -5.052 1.00 0.00 C ATOM 965 CG LEU A 66 0.026 -2.694 -5.046 1.00 0.00 C ATOM 966 CD1 LEU A 66 0.184 -4.213 -5.119 1.00 0.00 C ATOM 967 CD2 LEU A 66 -0.803 -2.261 -3.835 1.00 0.00 C ATOM 0 H LEU A 66 0.486 -1.023 -7.145 1.00 0.00 H new ATOM 0 HA LEU A 66 0.847 -0.046 -4.479 1.00 0.00 H new ATOM 0 HB2 LEU A 66 2.014 -2.478 -5.806 1.00 0.00 H new ATOM 0 HB3 LEU A 66 1.866 -2.171 -4.087 1.00 0.00 H new ATOM 0 HG LEU A 66 -0.520 -2.385 -5.937 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -0.800 -4.682 -5.113 1.00 0.00 H new ATOM 0 HD12 LEU A 66 0.708 -4.481 -6.037 1.00 0.00 H new ATOM 0 HD13 LEU A 66 0.757 -4.561 -4.259 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -1.767 -2.769 -3.854 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -0.273 -2.523 -2.919 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -0.960 -1.183 -3.868 1.00 0.00 H new ATOM 978 N ASP A 67 3.018 1.006 -4.394 1.00 0.00 N ATOM 979 CA ASP A 67 4.300 1.683 -4.310 1.00 0.00 C ATOM 980 C ASP A 67 5.095 1.115 -3.132 1.00 0.00 C ATOM 981 O ASP A 67 5.173 1.737 -2.073 1.00 0.00 O ATOM 982 CB ASP A 67 4.116 3.184 -4.075 1.00 0.00 C ATOM 983 CG ASP A 67 5.204 4.070 -4.685 1.00 0.00 C ATOM 984 OD1 ASP A 67 5.064 4.399 -5.883 1.00 0.00 O ATOM 985 OD2 ASP A 67 6.151 4.401 -3.938 1.00 0.00 O ATOM 0 H ASP A 67 2.355 1.256 -3.660 1.00 0.00 H new ATOM 0 HA ASP A 67 4.826 1.527 -5.252 1.00 0.00 H new ATOM 0 HB2 ASP A 67 3.151 3.485 -4.483 1.00 0.00 H new ATOM 0 HB3 ASP A 67 4.079 3.367 -3.001 1.00 0.00 H new ATOM 989 N LEU A 68 5.664 -0.061 -3.355 1.00 0.00 N ATOM 990 CA LEU A 68 6.449 -0.719 -2.326 1.00 0.00 C ATOM 991 C LEU A 68 7.551 0.227 -1.845 1.00 0.00 C ATOM 992 O LEU A 68 8.118 0.032 -0.772 1.00 0.00 O ATOM 993 CB LEU A 68 6.974 -2.066 -2.831 1.00 0.00 C ATOM 994 CG LEU A 68 6.057 -2.824 -3.793 1.00 0.00 C ATOM 995 CD1 LEU A 68 6.377 -4.319 -3.791 1.00 0.00 C ATOM 996 CD2 LEU A 68 4.585 -2.552 -3.476 1.00 0.00 C ATOM 0 H LEU A 68 5.596 -0.575 -4.234 1.00 0.00 H new ATOM 0 HA LEU A 68 5.825 -0.948 -1.462 1.00 0.00 H new ATOM 0 HB2 LEU A 68 7.930 -1.898 -3.328 1.00 0.00 H new ATOM 0 HB3 LEU A 68 7.170 -2.704 -1.969 1.00 0.00 H new ATOM 0 HG LEU A 68 6.242 -2.457 -4.802 1.00 0.00 H new ATOM 0 HD11 LEU A 68 5.711 -4.835 -4.483 1.00 0.00 H new ATOM 0 HD12 LEU A 68 7.411 -4.470 -4.102 1.00 0.00 H new ATOM 0 HD13 LEU A 68 6.238 -4.720 -2.787 1.00 0.00 H new ATOM 0 HD21 LEU A 68 3.955 -3.103 -4.174 1.00 0.00 H new ATOM 0 HD22 LEU A 68 4.366 -2.874 -2.458 1.00 0.00 H new ATOM 0 HD23 LEU A 68 4.384 -1.485 -3.570 1.00 0.00 H new ATOM 1007 N LYS A 69 7.820 1.234 -2.665 1.00 0.00 N ATOM 1008 CA LYS A 69 8.843 2.213 -2.337 1.00 0.00 C ATOM 1009 C LYS A 69 8.429 2.974 -1.076 1.00 0.00 C ATOM 1010 O LYS A 69 9.232 3.702 -0.494 1.00 0.00 O ATOM 1011 CB LYS A 69 9.123 3.117 -3.538 1.00 0.00 C ATOM 1012 CG LYS A 69 9.511 2.293 -4.768 1.00 0.00 C ATOM 1013 CD LYS A 69 10.820 2.800 -5.377 1.00 0.00 C ATOM 1014 CE LYS A 69 10.807 2.656 -6.901 1.00 0.00 C ATOM 1015 NZ LYS A 69 12.134 2.991 -7.464 1.00 0.00 N ATOM 0 H LYS A 69 7.347 1.392 -3.555 1.00 0.00 H new ATOM 0 HA LYS A 69 9.788 1.717 -2.114 1.00 0.00 H new ATOM 0 HB2 LYS A 69 8.239 3.715 -3.761 1.00 0.00 H new ATOM 0 HB3 LYS A 69 9.926 3.813 -3.294 1.00 0.00 H new ATOM 0 HG2 LYS A 69 9.618 1.245 -4.489 1.00 0.00 H new ATOM 0 HG3 LYS A 69 8.715 2.346 -5.511 1.00 0.00 H new ATOM 0 HD2 LYS A 69 10.970 3.846 -5.108 1.00 0.00 H new ATOM 0 HD3 LYS A 69 11.659 2.241 -4.962 1.00 0.00 H new ATOM 0 HE2 LYS A 69 10.537 1.636 -7.174 1.00 0.00 H new ATOM 0 HE3 LYS A 69 10.048 3.312 -7.328 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 12.108 2.888 -8.499 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 12.377 3.972 -7.219 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 12.851 2.348 -7.070 1.00 0.00 H new ATOM 1025 N LYS A 70 7.175 2.781 -0.692 1.00 0.00 N ATOM 1026 CA LYS A 70 6.645 3.442 0.488 1.00 0.00 C ATOM 1027 C LYS A 70 5.876 2.424 1.334 1.00 0.00 C ATOM 1028 O LYS A 70 5.181 2.795 2.278 1.00 0.00 O ATOM 1029 CB LYS A 70 5.815 4.664 0.092 1.00 0.00 C ATOM 1030 CG LYS A 70 6.683 5.714 -0.603 1.00 0.00 C ATOM 1031 CD LYS A 70 6.619 7.054 0.134 1.00 0.00 C ATOM 1032 CE LYS A 70 7.994 7.721 0.178 1.00 0.00 C ATOM 1033 NZ LYS A 70 8.088 8.786 -0.847 1.00 0.00 N ATOM 0 H LYS A 70 6.512 2.177 -1.177 1.00 0.00 H new ATOM 0 HA LYS A 70 7.457 3.825 1.107 1.00 0.00 H new ATOM 0 HB2 LYS A 70 5.006 4.359 -0.571 1.00 0.00 H new ATOM 0 HB3 LYS A 70 5.354 5.098 0.979 1.00 0.00 H new ATOM 0 HG2 LYS A 70 7.715 5.367 -0.645 1.00 0.00 H new ATOM 0 HG3 LYS A 70 6.348 5.845 -1.632 1.00 0.00 H new ATOM 0 HD2 LYS A 70 5.907 7.713 -0.363 1.00 0.00 H new ATOM 0 HD3 LYS A 70 6.254 6.898 1.149 1.00 0.00 H new ATOM 0 HE2 LYS A 70 8.168 8.144 1.167 1.00 0.00 H new ATOM 0 HE3 LYS A 70 8.772 6.976 0.009 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 9.028 9.228 -0.803 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 7.943 8.373 -1.791 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 7.358 9.505 -0.668 1.00 0.00 H new ATOM 1043 N ILE A 71 6.028 1.160 0.964 1.00 0.00 N ATOM 1044 CA ILE A 71 5.356 0.087 1.678 1.00 0.00 C ATOM 1045 C ILE A 71 5.517 0.302 3.183 1.00 0.00 C ATOM 1046 O ILE A 71 6.320 1.128 3.614 1.00 0.00 O ATOM 1047 CB ILE A 71 5.860 -1.274 1.194 1.00 0.00 C ATOM 1048 CG1 ILE A 71 4.700 -2.148 0.711 1.00 0.00 C ATOM 1049 CG2 ILE A 71 6.688 -1.969 2.276 1.00 0.00 C ATOM 1050 CD1 ILE A 71 5.215 -3.441 0.077 1.00 0.00 C ATOM 0 H ILE A 71 6.606 0.856 0.180 1.00 0.00 H new ATOM 0 HA ILE A 71 4.287 0.100 1.467 1.00 0.00 H new ATOM 0 HB ILE A 71 6.518 -1.110 0.341 1.00 0.00 H new ATOM 0 HG12 ILE A 71 4.045 -2.386 1.549 1.00 0.00 H new ATOM 0 HG13 ILE A 71 4.102 -1.596 -0.014 1.00 0.00 H new ATOM 0 HG21 ILE A 71 7.034 -2.934 1.906 1.00 0.00 H new ATOM 0 HG22 ILE A 71 7.548 -1.349 2.531 1.00 0.00 H new ATOM 0 HG23 ILE A 71 6.074 -2.120 3.164 1.00 0.00 H new ATOM 0 HD11 ILE A 71 4.371 -4.044 -0.258 1.00 0.00 H new ATOM 0 HD12 ILE A 71 5.850 -3.200 -0.776 1.00 0.00 H new ATOM 0 HD13 ILE A 71 5.792 -4.002 0.812 1.00 0.00 H new ATOM 1061 N GLN A 72 4.739 -0.455 3.944 1.00 0.00 N ATOM 1062 CA GLN A 72 4.785 -0.357 5.392 1.00 0.00 C ATOM 1063 C GLN A 72 4.323 -1.671 6.028 1.00 0.00 C ATOM 1064 O GLN A 72 3.304 -1.707 6.717 1.00 0.00 O ATOM 1065 CB GLN A 72 3.941 0.818 5.890 1.00 0.00 C ATOM 1066 CG GLN A 72 4.669 2.147 5.669 1.00 0.00 C ATOM 1067 CD GLN A 72 4.155 3.220 6.631 1.00 0.00 C ATOM 1068 OE1 GLN A 72 4.639 3.378 7.740 1.00 0.00 O ATOM 1069 NE2 GLN A 72 3.152 3.945 6.147 1.00 0.00 N ATOM 0 H GLN A 72 4.073 -1.139 3.584 1.00 0.00 H new ATOM 0 HA GLN A 72 5.817 -0.173 5.691 1.00 0.00 H new ATOM 0 HB2 GLN A 72 2.985 0.831 5.367 1.00 0.00 H new ATOM 0 HB3 GLN A 72 3.723 0.690 6.950 1.00 0.00 H new ATOM 0 HG2 GLN A 72 5.740 2.007 5.813 1.00 0.00 H new ATOM 0 HG3 GLN A 72 4.526 2.477 4.640 1.00 0.00 H new ATOM 0 HE21 GLN A 72 2.795 3.760 5.210 1.00 0.00 H new ATOM 0 HE22 GLN A 72 2.740 4.687 6.713 1.00 0.00 H new ATOM 1076 N PHE A 73 5.094 -2.717 5.773 1.00 0.00 N ATOM 1077 CA PHE A 73 4.778 -4.029 6.312 1.00 0.00 C ATOM 1078 C PHE A 73 4.308 -3.927 7.764 1.00 0.00 C ATOM 1079 O PHE A 73 4.673 -2.991 8.474 1.00 0.00 O ATOM 1080 CB PHE A 73 6.064 -4.856 6.261 1.00 0.00 C ATOM 1081 CG PHE A 73 6.339 -5.496 4.899 1.00 0.00 C ATOM 1082 CD1 PHE A 73 6.923 -4.766 3.912 1.00 0.00 C ATOM 1083 CD2 PHE A 73 6.000 -6.794 4.676 1.00 0.00 C ATOM 1084 CE1 PHE A 73 7.179 -5.359 2.646 1.00 0.00 C ATOM 1085 CE2 PHE A 73 6.255 -7.387 3.411 1.00 0.00 C ATOM 1086 CZ PHE A 73 6.840 -6.657 2.424 1.00 0.00 C ATOM 0 H PHE A 73 5.937 -2.683 5.200 1.00 0.00 H new ATOM 0 HA PHE A 73 3.977 -4.486 5.731 1.00 0.00 H new ATOM 0 HB2 PHE A 73 6.906 -4.217 6.527 1.00 0.00 H new ATOM 0 HB3 PHE A 73 6.009 -5.641 7.015 1.00 0.00 H new ATOM 0 HD1 PHE A 73 7.192 -3.735 4.090 1.00 0.00 H new ATOM 0 HD2 PHE A 73 5.537 -7.374 5.461 1.00 0.00 H new ATOM 0 HE1 PHE A 73 7.642 -4.779 1.861 1.00 0.00 H new ATOM 0 HE2 PHE A 73 5.984 -8.417 3.233 1.00 0.00 H new ATOM 0 HZ PHE A 73 7.036 -7.109 1.463 1.00 0.00 H new ATOM 1095 N PRO A 74 3.484 -4.929 8.174 1.00 0.00 N ATOM 1096 CA PRO A 74 2.960 -4.960 9.529 1.00 0.00 C ATOM 1097 C PRO A 74 4.039 -5.394 10.523 1.00 0.00 C ATOM 1098 O PRO A 74 4.927 -6.174 10.181 1.00 0.00 O ATOM 1099 CB PRO A 74 1.783 -5.919 9.473 1.00 0.00 C ATOM 1100 CG PRO A 74 1.974 -6.741 8.210 1.00 0.00 C ATOM 1101 CD PRO A 74 3.031 -6.053 7.361 1.00 0.00 C ATOM 0 HA PRO A 74 2.640 -3.979 9.880 1.00 0.00 H new ATOM 0 HB2 PRO A 74 1.758 -6.559 10.355 1.00 0.00 H new ATOM 0 HB3 PRO A 74 0.838 -5.376 9.446 1.00 0.00 H new ATOM 0 HG2 PRO A 74 2.285 -7.756 8.458 1.00 0.00 H new ATOM 0 HG3 PRO A 74 1.036 -6.821 7.661 1.00 0.00 H new ATOM 0 HD2 PRO A 74 3.853 -6.729 7.127 1.00 0.00 H new ATOM 0 HD3 PRO A 74 2.617 -5.714 6.411 1.00 0.00 H new