USER MOD reduce.3.24.130724 H: found=0, std=0, add=512, rem=0, adj=7 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 -80:sc= -3.01 USER MOD Single : A 22 ASN : amide:sc= -1.02 K(o=-1,f=-6!) USER MOD Single : A 23 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 25 ASN : amide:sc=-0.00436 X(o=-0.0044,f=-0.25) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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 -177:sc= 1.17 USER MOD Single : A 62 THR OG1 : rot -170:sc= -1.87 USER MOD Single : A 63 HIS :FLIP no HE2:sc= -0.311 F(o=-1.3,f=-0.31) 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 10.650 -4.618 -0.371 1.00 0.00 N ATOM 56 CA GLY A 7 9.337 -5.092 -0.774 1.00 0.00 C ATOM 57 C GLY A 7 9.373 -6.585 -1.107 1.00 0.00 C ATOM 58 O GLY A 7 9.001 -6.988 -2.207 1.00 0.00 O ATOM 0 HA2 GLY A 7 8.619 -4.911 0.026 1.00 0.00 H new ATOM 0 HA3 GLY A 7 8.994 -4.530 -1.643 1.00 0.00 H new ATOM 62 N GLY A 8 9.822 -7.365 -0.134 1.00 0.00 N ATOM 63 CA GLY A 8 9.911 -8.804 -0.309 1.00 0.00 C ATOM 64 C GLY A 8 8.697 -9.339 -1.073 1.00 0.00 C ATOM 65 O GLY A 8 8.760 -9.534 -2.286 1.00 0.00 O ATOM 0 H GLY A 8 10.128 -7.027 0.778 1.00 0.00 H new ATOM 0 HA2 GLY A 8 10.824 -9.053 -0.850 1.00 0.00 H new ATOM 0 HA3 GLY A 8 9.975 -9.289 0.665 1.00 0.00 H new ATOM 69 N GLU A 9 7.622 -9.561 -0.332 1.00 0.00 N ATOM 70 CA GLU A 9 6.397 -10.069 -0.924 1.00 0.00 C ATOM 71 C GLU A 9 5.183 -9.342 -0.340 1.00 0.00 C ATOM 72 O GLU A 9 5.071 -9.191 0.875 1.00 0.00 O ATOM 73 CB GLU A 9 6.278 -11.582 -0.725 1.00 0.00 C ATOM 74 CG GLU A 9 5.692 -11.909 0.651 1.00 0.00 C ATOM 75 CD GLU A 9 6.179 -13.273 1.145 1.00 0.00 C ATOM 76 OE1 GLU A 9 6.088 -14.230 0.348 1.00 0.00 O ATOM 77 OE2 GLU A 9 6.634 -13.325 2.308 1.00 0.00 O ATOM 0 H GLU A 9 7.574 -9.398 0.674 1.00 0.00 H new ATOM 0 HA GLU A 9 6.429 -9.878 -1.997 1.00 0.00 H new ATOM 0 HB2 GLU A 9 5.645 -12.006 -1.504 1.00 0.00 H new ATOM 0 HB3 GLU A 9 7.260 -12.044 -0.825 1.00 0.00 H new ATOM 0 HG2 GLU A 9 5.978 -11.137 1.365 1.00 0.00 H new ATOM 0 HG3 GLU A 9 4.603 -11.905 0.597 1.00 0.00 H new ATOM 82 N ILE A 10 4.305 -8.911 -1.235 1.00 0.00 N ATOM 83 CA ILE A 10 3.104 -8.203 -0.824 1.00 0.00 C ATOM 84 C ILE A 10 2.198 -9.156 -0.043 1.00 0.00 C ATOM 85 O ILE A 10 1.639 -10.093 -0.612 1.00 0.00 O ATOM 86 CB ILE A 10 2.424 -7.558 -2.032 1.00 0.00 C ATOM 87 CG1 ILE A 10 3.184 -6.312 -2.491 1.00 0.00 C ATOM 88 CG2 ILE A 10 0.954 -7.254 -1.736 1.00 0.00 C ATOM 89 CD1 ILE A 10 2.875 -5.117 -1.588 1.00 0.00 C ATOM 0 H ILE A 10 4.402 -9.038 -2.242 1.00 0.00 H new ATOM 0 HA ILE A 10 3.356 -7.382 -0.153 1.00 0.00 H new ATOM 0 HB ILE A 10 2.447 -8.271 -2.856 1.00 0.00 H new ATOM 0 HG12 ILE A 10 4.256 -6.512 -2.482 1.00 0.00 H new ATOM 0 HG13 ILE A 10 2.913 -6.075 -3.520 1.00 0.00 H new ATOM 0 HG21 ILE A 10 0.494 -6.796 -2.611 1.00 0.00 H new ATOM 0 HG22 ILE A 10 0.432 -8.180 -1.495 1.00 0.00 H new ATOM 0 HG23 ILE A 10 0.887 -6.569 -0.891 1.00 0.00 H new ATOM 0 HD11 ILE A 10 3.428 -4.245 -1.937 1.00 0.00 H new ATOM 0 HD12 ILE A 10 1.806 -4.905 -1.618 1.00 0.00 H new ATOM 0 HD13 ILE A 10 3.170 -5.348 -0.565 1.00 0.00 H new ATOM 100 N ILE A 11 2.080 -8.885 1.248 1.00 0.00 N ATOM 101 CA ILE A 11 1.250 -9.707 2.113 1.00 0.00 C ATOM 102 C ILE A 11 0.069 -8.877 2.618 1.00 0.00 C ATOM 103 O ILE A 11 0.034 -7.661 2.431 1.00 0.00 O ATOM 104 CB ILE A 11 2.091 -10.325 3.233 1.00 0.00 C ATOM 105 CG1 ILE A 11 2.565 -9.254 4.217 1.00 0.00 C ATOM 106 CG2 ILE A 11 3.256 -11.134 2.660 1.00 0.00 C ATOM 107 CD1 ILE A 11 1.481 -8.939 5.249 1.00 0.00 C ATOM 0 H ILE A 11 2.545 -8.108 1.717 1.00 0.00 H new ATOM 0 HA ILE A 11 0.835 -10.547 1.556 1.00 0.00 H new ATOM 0 HB ILE A 11 1.462 -11.018 3.791 1.00 0.00 H new ATOM 0 HG12 ILE A 11 3.467 -9.595 4.725 1.00 0.00 H new ATOM 0 HG13 ILE A 11 2.829 -8.347 3.673 1.00 0.00 H new ATOM 0 HG21 ILE A 11 3.838 -11.562 3.476 1.00 0.00 H new ATOM 0 HG22 ILE A 11 2.868 -11.935 2.031 1.00 0.00 H new ATOM 0 HG23 ILE A 11 3.894 -10.481 2.064 1.00 0.00 H new ATOM 0 HD11 ILE A 11 1.844 -8.175 5.936 1.00 0.00 H new ATOM 0 HD12 ILE A 11 0.589 -8.575 4.740 1.00 0.00 H new ATOM 0 HD13 ILE A 11 1.237 -9.843 5.807 1.00 0.00 H new ATOM 118 N GLU A 12 -0.871 -9.566 3.249 1.00 0.00 N ATOM 119 CA GLU A 12 -2.051 -8.908 3.782 1.00 0.00 C ATOM 120 C GLU A 12 -1.688 -8.092 5.024 1.00 0.00 C ATOM 121 O GLU A 12 -1.149 -8.631 5.990 1.00 0.00 O ATOM 122 CB GLU A 12 -3.152 -9.923 4.095 1.00 0.00 C ATOM 123 CG GLU A 12 -3.563 -10.691 2.837 1.00 0.00 C ATOM 124 CD GLU A 12 -4.521 -11.833 3.181 1.00 0.00 C ATOM 125 OE1 GLU A 12 -5.328 -11.636 4.113 1.00 0.00 O ATOM 126 OE2 GLU A 12 -4.423 -12.879 2.503 1.00 0.00 O ATOM 0 H GLU A 12 -0.839 -10.574 3.403 1.00 0.00 H new ATOM 0 HA GLU A 12 -2.437 -8.227 3.023 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -2.802 -10.622 4.854 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -4.018 -9.409 4.511 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -4.040 -10.011 2.131 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -2.677 -11.091 2.345 1.00 0.00 H new ATOM 131 N GLY A 13 -1.998 -6.806 4.960 1.00 0.00 N ATOM 132 CA GLY A 13 -1.711 -5.910 6.068 1.00 0.00 C ATOM 133 C GLY A 13 -0.755 -4.795 5.638 1.00 0.00 C ATOM 134 O GLY A 13 -0.813 -3.685 6.166 1.00 0.00 O ATOM 0 H GLY A 13 -2.445 -6.362 4.158 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -2.639 -5.475 6.439 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -1.272 -6.473 6.891 1.00 0.00 H new ATOM 138 N CYS A 14 0.104 -5.130 4.687 1.00 0.00 N ATOM 139 CA CYS A 14 1.071 -4.171 4.181 1.00 0.00 C ATOM 140 C CYS A 14 0.324 -2.894 3.791 1.00 0.00 C ATOM 141 O CYS A 14 -0.780 -2.957 3.251 1.00 0.00 O ATOM 142 CB CYS A 14 1.874 -4.742 3.010 1.00 0.00 C ATOM 143 SG CYS A 14 3.241 -5.784 3.638 1.00 0.00 S ATOM 0 H CYS A 14 0.151 -6.052 4.253 1.00 0.00 H new ATOM 0 HA CYS A 14 1.799 -3.941 4.959 1.00 0.00 H new ATOM 0 HB2 CYS A 14 1.223 -5.332 2.365 1.00 0.00 H new ATOM 0 HB3 CYS A 14 2.274 -3.930 2.402 1.00 0.00 H new ATOM 0 HG CYS A 14 4.227 -5.025 4.016 1.00 0.00 H new ATOM 148 N ARG A 15 0.954 -1.766 4.081 1.00 0.00 N ATOM 149 CA ARG A 15 0.363 -0.476 3.767 1.00 0.00 C ATOM 150 C ARG A 15 1.238 0.281 2.767 1.00 0.00 C ATOM 151 O ARG A 15 2.413 0.533 3.031 1.00 0.00 O ATOM 152 CB ARG A 15 0.192 0.372 5.029 1.00 0.00 C ATOM 153 CG ARG A 15 -1.173 0.124 5.676 1.00 0.00 C ATOM 154 CD ARG A 15 -1.519 1.235 6.669 1.00 0.00 C ATOM 155 NE ARG A 15 -1.855 0.649 7.986 1.00 0.00 N ATOM 156 CZ ARG A 15 -1.946 1.356 9.121 1.00 0.00 C ATOM 157 NH1 ARG A 15 -1.727 2.678 9.106 1.00 0.00 N ATOM 158 NH2 ARG A 15 -2.255 0.741 10.270 1.00 0.00 N ATOM 0 H ARG A 15 1.868 -1.718 4.530 1.00 0.00 H new ATOM 0 HA ARG A 15 -0.618 -0.659 3.329 1.00 0.00 H new ATOM 0 HB2 ARG A 15 0.984 0.136 5.740 1.00 0.00 H new ATOM 0 HB3 ARG A 15 0.293 1.428 4.778 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -1.941 0.069 4.904 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -1.167 -0.838 6.189 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -0.676 1.919 6.770 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -2.361 1.819 6.296 1.00 0.00 H new ATOM 0 HE ARG A 15 -2.028 -0.355 8.033 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -1.491 3.146 8.231 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -1.796 3.216 9.970 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -2.421 -0.265 10.281 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -2.324 1.279 11.134 1.00 0.00 H new ATOM 169 N LEU A 16 0.633 0.623 1.639 1.00 0.00 N ATOM 170 CA LEU A 16 1.343 1.346 0.598 1.00 0.00 C ATOM 171 C LEU A 16 0.361 2.250 -0.150 1.00 0.00 C ATOM 172 O LEU A 16 -0.837 1.973 -0.188 1.00 0.00 O ATOM 173 CB LEU A 16 2.098 0.374 -0.310 1.00 0.00 C ATOM 174 CG LEU A 16 1.577 -1.064 -0.334 1.00 0.00 C ATOM 175 CD1 LEU A 16 0.047 -1.092 -0.320 1.00 0.00 C ATOM 176 CD2 LEU A 16 2.152 -1.836 -1.522 1.00 0.00 C ATOM 0 H LEU A 16 -0.341 0.413 1.423 1.00 0.00 H new ATOM 0 HA LEU A 16 2.103 1.993 1.035 1.00 0.00 H new ATOM 0 HB2 LEU A 16 2.074 0.765 -1.327 1.00 0.00 H new ATOM 0 HB3 LEU A 16 3.143 0.356 -0.000 1.00 0.00 H new ATOM 0 HG LEU A 16 1.918 -1.566 0.572 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -0.298 -2.126 -0.338 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -0.318 -0.603 0.583 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -0.335 -0.567 -1.196 1.00 0.00 H new ATOM 0 HD21 LEU A 16 1.765 -2.855 -1.515 1.00 0.00 H new ATOM 0 HD22 LEU A 16 1.862 -1.344 -2.450 1.00 0.00 H new ATOM 0 HD23 LEU A 16 3.239 -1.860 -1.449 1.00 0.00 H new ATOM 187 N PRO A 17 0.919 3.340 -0.742 1.00 0.00 N ATOM 188 CA PRO A 17 0.105 4.285 -1.487 1.00 0.00 C ATOM 189 C PRO A 17 -0.297 3.711 -2.847 1.00 0.00 C ATOM 190 O PRO A 17 0.532 3.600 -3.749 1.00 0.00 O ATOM 191 CB PRO A 17 0.962 5.536 -1.602 1.00 0.00 C ATOM 192 CG PRO A 17 2.389 5.091 -1.327 1.00 0.00 C ATOM 193 CD PRO A 17 2.334 3.699 -0.718 1.00 0.00 C ATOM 0 HA PRO A 17 -0.840 4.508 -0.991 1.00 0.00 H new ATOM 0 HB2 PRO A 17 0.875 5.979 -2.594 1.00 0.00 H new ATOM 0 HB3 PRO A 17 0.645 6.294 -0.886 1.00 0.00 H new ATOM 0 HG2 PRO A 17 2.970 5.082 -2.249 1.00 0.00 H new ATOM 0 HG3 PRO A 17 2.881 5.786 -0.647 1.00 0.00 H new ATOM 0 HD2 PRO A 17 2.932 2.991 -1.292 1.00 0.00 H new ATOM 0 HD3 PRO A 17 2.726 3.696 0.299 1.00 0.00 H new ATOM 198 N VAL A 18 -1.571 3.359 -2.951 1.00 0.00 N ATOM 199 CA VAL A 18 -2.094 2.798 -4.184 1.00 0.00 C ATOM 200 C VAL A 18 -2.605 3.931 -5.078 1.00 0.00 C ATOM 201 O VAL A 18 -3.570 4.611 -4.733 1.00 0.00 O ATOM 202 CB VAL A 18 -3.167 1.753 -3.871 1.00 0.00 C ATOM 203 CG1 VAL A 18 -3.946 1.372 -5.132 1.00 0.00 C ATOM 204 CG2 VAL A 18 -2.553 0.518 -3.211 1.00 0.00 C ATOM 0 H VAL A 18 -2.256 3.452 -2.201 1.00 0.00 H new ATOM 0 HA VAL A 18 -1.307 2.281 -4.732 1.00 0.00 H new ATOM 0 HB VAL A 18 -3.870 2.195 -3.165 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -4.702 0.628 -4.882 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -4.431 2.258 -5.542 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -3.261 0.958 -5.872 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -3.337 -0.209 -2.999 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -1.818 0.074 -3.883 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -2.065 0.807 -2.280 1.00 0.00 H new ATOM 214 N LEU A 19 -1.935 4.097 -6.209 1.00 0.00 N ATOM 215 CA LEU A 19 -2.308 5.135 -7.155 1.00 0.00 C ATOM 216 C LEU A 19 -3.833 5.182 -7.277 1.00 0.00 C ATOM 217 O LEU A 19 -4.488 4.142 -7.330 1.00 0.00 O ATOM 218 CB LEU A 19 -1.590 4.928 -8.489 1.00 0.00 C ATOM 219 CG LEU A 19 -1.980 5.887 -9.616 1.00 0.00 C ATOM 220 CD1 LEU A 19 -1.244 7.222 -9.479 1.00 0.00 C ATOM 221 CD2 LEU A 19 -1.751 5.244 -10.986 1.00 0.00 C ATOM 0 H LEU A 19 -1.136 3.530 -6.492 1.00 0.00 H new ATOM 0 HA LEU A 19 -1.986 6.112 -6.796 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -0.517 5.016 -8.319 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -1.777 3.908 -8.825 1.00 0.00 H new ATOM 0 HG LEU A 19 -3.046 6.097 -9.533 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -1.539 7.885 -10.292 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -1.500 7.682 -8.525 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -0.168 7.051 -9.523 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -2.036 5.946 -11.770 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -0.698 4.986 -11.095 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -2.356 4.341 -11.070 1.00 0.00 H new ATOM 232 N ARG A 20 -4.354 6.400 -7.318 1.00 0.00 N ATOM 233 CA ARG A 20 -5.789 6.596 -7.433 1.00 0.00 C ATOM 234 C ARG A 20 -6.088 7.929 -8.120 1.00 0.00 C ATOM 235 O ARG A 20 -5.821 8.994 -7.562 1.00 0.00 O ATOM 236 CB ARG A 20 -6.460 6.576 -6.058 1.00 0.00 C ATOM 237 CG ARG A 20 -7.963 6.321 -6.185 1.00 0.00 C ATOM 238 CD ARG A 20 -8.763 7.586 -5.865 1.00 0.00 C ATOM 239 NE ARG A 20 -10.007 7.615 -6.667 1.00 0.00 N ATOM 240 CZ ARG A 20 -11.036 8.438 -6.427 1.00 0.00 C ATOM 241 NH1 ARG A 20 -10.977 9.305 -5.407 1.00 0.00 N ATOM 242 NH2 ARG A 20 -12.126 8.394 -7.206 1.00 0.00 N ATOM 0 H ARG A 20 -3.808 7.260 -7.274 1.00 0.00 H new ATOM 0 HA ARG A 20 -6.189 5.777 -8.031 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -6.007 5.801 -5.440 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -6.290 7.527 -5.553 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -8.194 5.986 -7.196 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -8.258 5.519 -5.508 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -9.005 7.614 -4.803 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -8.162 8.470 -6.079 1.00 0.00 H new ATOM 0 HE ARG A 20 -10.085 6.968 -7.451 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -10.148 9.338 -4.813 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -11.761 9.932 -5.224 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -12.172 7.734 -7.982 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -12.909 9.021 -7.023 1.00 0.00 H new ATOM 253 N ARG A 21 -6.641 7.830 -9.320 1.00 0.00 N ATOM 254 CA ARG A 21 -6.980 9.015 -10.089 1.00 0.00 C ATOM 255 C ARG A 21 -8.413 9.454 -9.784 1.00 0.00 C ATOM 256 O ARG A 21 -9.363 8.930 -10.363 1.00 0.00 O ATOM 257 CB ARG A 21 -6.842 8.755 -11.591 1.00 0.00 C ATOM 258 CG ARG A 21 -5.422 9.061 -12.073 1.00 0.00 C ATOM 259 CD ARG A 21 -5.365 9.130 -13.600 1.00 0.00 C ATOM 260 NE ARG A 21 -4.073 8.593 -14.082 1.00 0.00 N ATOM 261 CZ ARG A 21 -3.708 8.559 -15.371 1.00 0.00 C ATOM 262 NH1 ARG A 21 -4.535 9.031 -16.315 1.00 0.00 N ATOM 263 NH2 ARG A 21 -2.516 8.054 -15.717 1.00 0.00 N ATOM 0 H ARG A 21 -6.863 6.946 -9.779 1.00 0.00 H new ATOM 0 HA ARG A 21 -6.286 9.805 -9.803 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -7.087 7.715 -11.808 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -7.556 9.371 -12.137 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -5.086 10.008 -11.650 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -4.738 8.291 -11.714 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -6.188 8.559 -14.029 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -5.486 10.162 -13.931 1.00 0.00 H new ATOM 0 HE ARG A 21 -3.420 8.226 -13.390 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -5.442 9.416 -16.052 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -4.257 9.005 -17.296 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -1.886 7.695 -14.999 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -2.238 8.028 -16.698 1.00 0.00 H new ATOM 274 N ASN A 22 -8.524 10.410 -8.874 1.00 0.00 N ATOM 275 CA ASN A 22 -9.826 10.926 -8.485 1.00 0.00 C ATOM 276 C ASN A 22 -10.536 11.489 -9.717 1.00 0.00 C ATOM 277 O ASN A 22 -9.971 11.508 -10.809 1.00 0.00 O ATOM 278 CB ASN A 22 -9.687 12.055 -7.461 1.00 0.00 C ATOM 279 CG ASN A 22 -8.514 12.973 -7.812 1.00 0.00 C ATOM 280 OD1 ASN A 22 -8.519 13.675 -8.811 1.00 0.00 O ATOM 281 ND2 ASN A 22 -7.512 12.927 -6.939 1.00 0.00 N ATOM 0 H ASN A 22 -7.734 10.841 -8.394 1.00 0.00 H new ATOM 0 HA ASN A 22 -10.395 10.108 -8.044 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -10.609 12.635 -7.426 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -9.538 11.633 -6.467 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -6.682 13.502 -7.085 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -7.573 12.317 -6.124 1.00 0.00 H new ATOM 287 N GLN A 23 -11.765 11.934 -9.500 1.00 0.00 N ATOM 288 CA GLN A 23 -12.559 12.495 -10.580 1.00 0.00 C ATOM 289 C GLN A 23 -11.717 13.471 -11.404 1.00 0.00 C ATOM 290 O GLN A 23 -11.557 13.291 -12.612 1.00 0.00 O ATOM 291 CB GLN A 23 -13.817 13.178 -10.038 1.00 0.00 C ATOM 292 CG GLN A 23 -15.064 12.342 -10.332 1.00 0.00 C ATOM 293 CD GLN A 23 -16.216 12.731 -9.403 1.00 0.00 C ATOM 294 OE1 GLN A 23 -17.131 13.449 -9.773 1.00 0.00 O ATOM 295 NE2 GLN A 23 -16.120 12.218 -8.180 1.00 0.00 N ATOM 0 H GLN A 23 -12.230 11.917 -8.592 1.00 0.00 H new ATOM 0 HA GLN A 23 -12.879 11.682 -11.231 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -13.720 13.327 -8.963 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -13.922 14.165 -10.488 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -15.365 12.484 -11.370 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -14.834 11.284 -10.209 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -15.327 11.624 -7.937 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -16.839 12.418 -7.485 1.00 0.00 H new ATOM 302 N ASP A 24 -11.203 14.482 -10.722 1.00 0.00 N ATOM 303 CA ASP A 24 -10.382 15.487 -11.376 1.00 0.00 C ATOM 304 C ASP A 24 -9.354 14.794 -12.273 1.00 0.00 C ATOM 305 O ASP A 24 -8.883 15.377 -13.248 1.00 0.00 O ATOM 306 CB ASP A 24 -9.622 16.331 -10.352 1.00 0.00 C ATOM 307 CG ASP A 24 -10.418 17.492 -9.753 1.00 0.00 C ATOM 308 OD1 ASP A 24 -11.132 17.238 -8.759 1.00 0.00 O ATOM 309 OD2 ASP A 24 -10.294 18.608 -10.302 1.00 0.00 O ATOM 0 H ASP A 24 -11.339 14.628 -9.722 1.00 0.00 H new ATOM 0 HA ASP A 24 -11.040 16.133 -11.957 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -9.291 15.681 -9.542 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -8.726 16.731 -10.826 1.00 0.00 H new ATOM 313 N ASN A 25 -9.037 13.559 -11.912 1.00 0.00 N ATOM 314 CA ASN A 25 -8.074 12.781 -12.671 1.00 0.00 C ATOM 315 C ASN A 25 -6.658 13.171 -12.244 1.00 0.00 C ATOM 316 O ASN A 25 -5.778 13.348 -13.085 1.00 0.00 O ATOM 317 CB ASN A 25 -8.207 13.052 -14.171 1.00 0.00 C ATOM 318 CG ASN A 25 -7.783 11.830 -14.989 1.00 0.00 C ATOM 319 OD1 ASN A 25 -6.717 11.788 -15.583 1.00 0.00 O ATOM 320 ND2 ASN A 25 -8.671 10.842 -14.986 1.00 0.00 N ATOM 0 H ASN A 25 -9.431 13.078 -11.103 1.00 0.00 H new ATOM 0 HA ASN A 25 -8.266 11.726 -12.476 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -9.239 13.312 -14.407 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -7.592 13.909 -14.445 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -8.480 9.983 -15.502 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -9.544 10.942 -14.468 1.00 0.00 H new ATOM 326 N GLU A 26 -6.482 13.296 -10.937 1.00 0.00 N ATOM 327 CA GLU A 26 -5.187 13.664 -10.388 1.00 0.00 C ATOM 328 C GLU A 26 -4.532 12.453 -9.719 1.00 0.00 C ATOM 329 O GLU A 26 -4.850 12.123 -8.577 1.00 0.00 O ATOM 330 CB GLU A 26 -5.320 14.828 -9.404 1.00 0.00 C ATOM 331 CG GLU A 26 -5.964 16.043 -10.076 1.00 0.00 C ATOM 332 CD GLU A 26 -5.773 17.303 -9.229 1.00 0.00 C ATOM 333 OE1 GLU A 26 -4.637 17.494 -8.744 1.00 0.00 O ATOM 334 OE2 GLU A 26 -6.767 18.047 -9.086 1.00 0.00 O ATOM 0 H GLU A 26 -7.214 13.149 -10.242 1.00 0.00 H new ATOM 0 HA GLU A 26 -4.547 13.994 -11.206 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -5.922 14.519 -8.549 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -4.336 15.099 -9.020 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -5.524 16.193 -11.062 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -7.028 15.859 -10.226 1.00 0.00 H new ATOM 339 N ASP A 27 -3.629 11.826 -10.459 1.00 0.00 N ATOM 340 CA ASP A 27 -2.926 10.660 -9.953 1.00 0.00 C ATOM 341 C ASP A 27 -2.566 10.886 -8.482 1.00 0.00 C ATOM 342 O ASP A 27 -1.569 11.537 -8.177 1.00 0.00 O ATOM 343 CB ASP A 27 -1.628 10.420 -10.725 1.00 0.00 C ATOM 344 CG ASP A 27 -1.806 9.792 -12.109 1.00 0.00 C ATOM 345 OD1 ASP A 27 -2.551 10.390 -12.913 1.00 0.00 O ATOM 346 OD2 ASP A 27 -1.193 8.725 -12.331 1.00 0.00 O ATOM 0 H ASP A 27 -3.368 12.104 -11.405 1.00 0.00 H new ATOM 0 HA ASP A 27 -3.580 9.796 -10.070 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -1.109 11.372 -10.838 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -0.983 9.774 -10.130 1.00 0.00 H new ATOM 350 N GLU A 28 -3.399 10.333 -7.611 1.00 0.00 N ATOM 351 CA GLU A 28 -3.181 10.466 -6.181 1.00 0.00 C ATOM 352 C GLU A 28 -2.409 9.258 -5.647 1.00 0.00 C ATOM 353 O GLU A 28 -2.240 8.263 -6.352 1.00 0.00 O ATOM 354 CB GLU A 28 -4.506 10.642 -5.438 1.00 0.00 C ATOM 355 CG GLU A 28 -4.270 11.066 -3.987 1.00 0.00 C ATOM 356 CD GLU A 28 -5.455 11.872 -3.452 1.00 0.00 C ATOM 357 OE1 GLU A 28 -6.599 11.462 -3.744 1.00 0.00 O ATOM 358 OE2 GLU A 28 -5.190 12.881 -2.762 1.00 0.00 O ATOM 0 H GLU A 28 -4.225 9.793 -7.869 1.00 0.00 H new ATOM 0 HA GLU A 28 -2.583 11.361 -6.006 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -5.114 11.391 -5.945 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -5.067 9.707 -5.461 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -4.116 10.183 -3.367 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -3.360 11.663 -3.922 1.00 0.00 H new ATOM 363 N TRP A 29 -1.962 9.381 -4.406 1.00 0.00 N ATOM 364 CA TRP A 29 -1.212 8.312 -3.770 1.00 0.00 C ATOM 365 C TRP A 29 -1.699 8.189 -2.324 1.00 0.00 C ATOM 366 O TRP A 29 -0.940 8.434 -1.387 1.00 0.00 O ATOM 367 CB TRP A 29 0.294 8.560 -3.875 1.00 0.00 C ATOM 368 CG TRP A 29 0.844 8.455 -5.299 1.00 0.00 C ATOM 369 CD1 TRP A 29 1.060 9.447 -6.173 1.00 0.00 C ATOM 370 CD2 TRP A 29 1.241 7.248 -5.981 1.00 0.00 C ATOM 371 NE1 TRP A 29 1.565 8.969 -7.366 1.00 0.00 N ATOM 372 CE2 TRP A 29 1.679 7.588 -7.244 1.00 0.00 C ATOM 373 CE3 TRP A 29 1.231 5.912 -5.545 1.00 0.00 C ATOM 374 CZ2 TRP A 29 2.139 6.650 -8.175 1.00 0.00 C ATOM 375 CZ3 TRP A 29 1.694 4.985 -6.487 1.00 0.00 C ATOM 376 CH2 TRP A 29 2.139 5.311 -7.762 1.00 0.00 C ATOM 0 H TRP A 29 -2.105 10.206 -3.823 1.00 0.00 H new ATOM 0 HA TRP A 29 -1.386 7.364 -4.278 1.00 0.00 H new ATOM 0 HB2 TRP A 29 0.517 9.552 -3.483 1.00 0.00 H new ATOM 0 HB3 TRP A 29 0.815 7.842 -3.241 1.00 0.00 H new ATOM 0 HD1 TRP A 29 0.864 10.489 -5.970 1.00 0.00 H new ATOM 0 HE1 TRP A 29 1.809 9.526 -8.185 1.00 0.00 H new ATOM 0 HE3 TRP A 29 0.893 5.623 -4.561 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 2.476 6.942 -9.159 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 1.706 3.943 -6.202 1.00 0.00 H new ATOM 0 HH2 TRP A 29 2.483 4.536 -8.431 1.00 0.00 H new ATOM 386 N PRO A 30 -2.995 7.799 -2.185 1.00 0.00 N ATOM 387 CA PRO A 30 -3.591 7.640 -0.869 1.00 0.00 C ATOM 388 C PRO A 30 -3.096 6.360 -0.194 1.00 0.00 C ATOM 389 O PRO A 30 -2.740 5.395 -0.869 1.00 0.00 O ATOM 390 CB PRO A 30 -5.091 7.641 -1.115 1.00 0.00 C ATOM 391 CG PRO A 30 -5.272 7.333 -2.592 1.00 0.00 C ATOM 392 CD PRO A 30 -3.923 7.499 -3.272 1.00 0.00 C ATOM 0 HA PRO A 30 -3.313 8.439 -0.181 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -5.589 6.894 -0.497 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -5.528 8.607 -0.861 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -5.645 6.318 -2.727 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -6.008 8.005 -3.035 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -3.632 6.592 -3.802 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -3.946 8.304 -4.007 1.00 0.00 H new ATOM 397 N LEU A 31 -3.091 6.391 1.131 1.00 0.00 N ATOM 398 CA LEU A 31 -2.646 5.245 1.905 1.00 0.00 C ATOM 399 C LEU A 31 -3.666 4.114 1.765 1.00 0.00 C ATOM 400 O LEU A 31 -4.862 4.324 1.961 1.00 0.00 O ATOM 401 CB LEU A 31 -2.373 5.651 3.354 1.00 0.00 C ATOM 402 CG LEU A 31 -1.315 4.829 4.094 1.00 0.00 C ATOM 403 CD1 LEU A 31 -1.810 3.404 4.351 1.00 0.00 C ATOM 404 CD2 LEU A 31 0.018 4.847 3.342 1.00 0.00 C ATOM 0 H LEU A 31 -3.388 7.192 1.688 1.00 0.00 H new ATOM 0 HA LEU A 31 -1.698 4.869 1.520 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -2.065 6.697 3.366 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -3.308 5.588 3.910 1.00 0.00 H new ATOM 0 HG LEU A 31 -1.142 5.290 5.066 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -1.040 2.841 4.878 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -2.715 3.437 4.958 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -2.029 2.918 3.400 1.00 0.00 H new ATOM 0 HD21 LEU A 31 0.752 4.256 3.889 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -0.120 4.424 2.347 1.00 0.00 H new ATOM 0 HD23 LEU A 31 0.372 5.874 3.254 1.00 0.00 H new ATOM 415 N ALA A 32 -3.156 2.939 1.426 1.00 0.00 N ATOM 416 CA ALA A 32 -4.007 1.773 1.258 1.00 0.00 C ATOM 417 C ALA A 32 -3.366 0.573 1.956 1.00 0.00 C ATOM 418 O ALA A 32 -2.143 0.443 1.979 1.00 0.00 O ATOM 419 CB ALA A 32 -4.241 1.523 -0.234 1.00 0.00 C ATOM 0 H ALA A 32 -2.164 2.769 1.263 1.00 0.00 H new ATOM 0 HA ALA A 32 -4.981 1.940 1.718 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -4.879 0.649 -0.361 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -4.725 2.393 -0.677 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -3.285 1.349 -0.728 1.00 0.00 H new ATOM 425 N GLU A 33 -4.221 -0.275 2.510 1.00 0.00 N ATOM 426 CA GLU A 33 -3.754 -1.461 3.207 1.00 0.00 C ATOM 427 C GLU A 33 -4.142 -2.721 2.432 1.00 0.00 C ATOM 428 O GLU A 33 -5.263 -2.828 1.937 1.00 0.00 O ATOM 429 CB GLU A 33 -4.297 -1.507 4.636 1.00 0.00 C ATOM 430 CG GLU A 33 -3.562 -2.557 5.470 1.00 0.00 C ATOM 431 CD GLU A 33 -4.343 -2.895 6.741 1.00 0.00 C ATOM 432 OE1 GLU A 33 -5.586 -2.978 6.638 1.00 0.00 O ATOM 433 OE2 GLU A 33 -3.680 -3.062 7.788 1.00 0.00 O ATOM 0 H GLU A 33 -5.235 -0.164 2.490 1.00 0.00 H new ATOM 0 HA GLU A 33 -2.667 -1.417 3.268 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -4.189 -0.527 5.101 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -5.363 -1.734 4.616 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -3.417 -3.460 4.877 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -2.572 -2.187 5.735 1.00 0.00 H new ATOM 438 N ILE A 34 -3.195 -3.643 2.350 1.00 0.00 N ATOM 439 CA ILE A 34 -3.424 -4.892 1.644 1.00 0.00 C ATOM 440 C ILE A 34 -4.427 -5.740 2.428 1.00 0.00 C ATOM 441 O ILE A 34 -4.337 -5.841 3.650 1.00 0.00 O ATOM 442 CB ILE A 34 -2.098 -5.604 1.370 1.00 0.00 C ATOM 443 CG1 ILE A 34 -1.103 -4.664 0.687 1.00 0.00 C ATOM 444 CG2 ILE A 34 -2.320 -6.887 0.565 1.00 0.00 C ATOM 445 CD1 ILE A 34 -1.334 -4.625 -0.826 1.00 0.00 C ATOM 0 H ILE A 34 -2.266 -3.550 2.761 1.00 0.00 H new ATOM 0 HA ILE A 34 -3.864 -4.701 0.665 1.00 0.00 H new ATOM 0 HB ILE A 34 -1.663 -5.895 2.326 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -1.204 -3.660 1.100 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -0.085 -4.993 0.895 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -1.361 -7.373 0.384 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -2.969 -7.560 1.125 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -2.788 -6.642 -0.388 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -0.613 -3.949 -1.287 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -1.209 -5.626 -1.239 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -2.345 -4.272 -1.031 1.00 0.00 H new ATOM 456 N LEU A 35 -5.360 -6.328 1.693 1.00 0.00 N ATOM 457 CA LEU A 35 -6.378 -7.164 2.305 1.00 0.00 C ATOM 458 C LEU A 35 -6.226 -8.599 1.798 1.00 0.00 C ATOM 459 O LEU A 35 -6.146 -9.537 2.591 1.00 0.00 O ATOM 460 CB LEU A 35 -7.770 -6.574 2.069 1.00 0.00 C ATOM 461 CG LEU A 35 -7.942 -5.096 2.431 1.00 0.00 C ATOM 462 CD1 LEU A 35 -9.362 -4.619 2.126 1.00 0.00 C ATOM 463 CD2 LEU A 35 -7.549 -4.839 3.887 1.00 0.00 C ATOM 0 H LEU A 35 -5.432 -6.242 0.679 1.00 0.00 H new ATOM 0 HA LEU A 35 -6.247 -7.191 3.387 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -8.024 -6.702 1.017 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -8.491 -7.155 2.644 1.00 0.00 H new ATOM 0 HG LEU A 35 -7.266 -4.510 1.808 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -9.457 -3.566 2.392 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -9.568 -4.744 1.063 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -10.075 -5.206 2.705 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -7.680 -3.782 4.118 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -8.181 -5.436 4.545 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -6.505 -5.116 4.037 1.00 0.00 H new ATOM 474 N SER A 36 -6.190 -8.727 0.480 1.00 0.00 N ATOM 475 CA SER A 36 -6.048 -10.033 -0.142 1.00 0.00 C ATOM 476 C SER A 36 -5.355 -9.893 -1.499 1.00 0.00 C ATOM 477 O SER A 36 -5.564 -8.910 -2.208 1.00 0.00 O ATOM 478 CB SER A 36 -7.408 -10.714 -0.307 1.00 0.00 C ATOM 479 OG SER A 36 -7.378 -12.075 0.116 1.00 0.00 O ATOM 0 H SER A 36 -6.257 -7.948 -0.175 1.00 0.00 H new ATOM 0 HA SER A 36 -5.436 -10.658 0.508 1.00 0.00 H new ATOM 0 HB2 SER A 36 -8.157 -10.172 0.269 1.00 0.00 H new ATOM 0 HB3 SER A 36 -7.713 -10.666 -1.352 1.00 0.00 H new ATOM 0 HG SER A 36 -8.265 -12.474 -0.003 1.00 0.00 H new ATOM 484 N VAL A 37 -4.546 -10.891 -1.820 1.00 0.00 N ATOM 485 CA VAL A 37 -3.821 -10.893 -3.079 1.00 0.00 C ATOM 486 C VAL A 37 -4.424 -11.949 -4.008 1.00 0.00 C ATOM 487 O VAL A 37 -5.222 -12.778 -3.576 1.00 0.00 O ATOM 488 CB VAL A 37 -2.327 -11.103 -2.823 1.00 0.00 C ATOM 489 CG1 VAL A 37 -1.550 -11.163 -4.140 1.00 0.00 C ATOM 490 CG2 VAL A 37 -1.769 -10.014 -1.906 1.00 0.00 C ATOM 0 H VAL A 37 -4.376 -11.705 -1.229 1.00 0.00 H new ATOM 0 HA VAL A 37 -3.918 -9.929 -3.577 1.00 0.00 H new ATOM 0 HB VAL A 37 -2.204 -12.061 -2.317 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -0.491 -11.313 -3.931 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -1.921 -11.991 -4.744 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -1.684 -10.228 -4.684 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -0.706 -10.187 -1.741 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -1.910 -9.039 -2.372 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -2.294 -10.039 -0.951 1.00 0.00 H new ATOM 500 N LYS A 38 -4.017 -11.883 -5.268 1.00 0.00 N ATOM 501 CA LYS A 38 -4.507 -12.824 -6.261 1.00 0.00 C ATOM 502 C LYS A 38 -3.544 -12.849 -7.451 1.00 0.00 C ATOM 503 O LYS A 38 -2.518 -12.172 -7.438 1.00 0.00 O ATOM 504 CB LYS A 38 -5.951 -12.494 -6.645 1.00 0.00 C ATOM 505 CG LYS A 38 -6.743 -13.768 -6.942 1.00 0.00 C ATOM 506 CD LYS A 38 -7.220 -13.791 -8.396 1.00 0.00 C ATOM 507 CE LYS A 38 -8.745 -13.708 -8.475 1.00 0.00 C ATOM 508 NZ LYS A 38 -9.205 -12.333 -8.176 1.00 0.00 N ATOM 0 H LYS A 38 -3.355 -11.193 -5.623 1.00 0.00 H new ATOM 0 HA LYS A 38 -4.534 -13.833 -5.850 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -6.430 -11.944 -5.835 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -5.959 -11.844 -7.520 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -6.121 -14.641 -6.746 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -7.601 -13.831 -6.273 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -6.778 -12.956 -8.940 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -6.877 -14.705 -8.881 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -9.080 -14.002 -9.470 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -9.190 -14.409 -7.769 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -10.243 -12.294 -8.234 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -8.901 -12.066 -7.218 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -8.795 -11.672 -8.866 1.00 0.00 H new ATOM 518 N ASP A 39 -3.911 -13.637 -8.451 1.00 0.00 N ATOM 519 CA ASP A 39 -3.093 -13.760 -9.646 1.00 0.00 C ATOM 520 C ASP A 39 -3.957 -14.272 -10.800 1.00 0.00 C ATOM 521 O ASP A 39 -4.542 -15.350 -10.712 1.00 0.00 O ATOM 522 CB ASP A 39 -1.952 -14.756 -9.431 1.00 0.00 C ATOM 523 CG ASP A 39 -1.416 -15.409 -10.707 1.00 0.00 C ATOM 524 OD1 ASP A 39 -1.985 -16.453 -11.092 1.00 0.00 O ATOM 525 OD2 ASP A 39 -0.450 -14.849 -11.269 1.00 0.00 O ATOM 0 H ASP A 39 -4.764 -14.197 -8.458 1.00 0.00 H new ATOM 0 HA ASP A 39 -2.677 -12.778 -9.873 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -1.131 -14.243 -8.931 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -2.296 -15.540 -8.756 1.00 0.00 H new ATOM 529 N ILE A 40 -4.012 -13.473 -11.856 1.00 0.00 N ATOM 530 CA ILE A 40 -4.795 -13.831 -13.025 1.00 0.00 C ATOM 531 C ILE A 40 -4.036 -13.418 -14.288 1.00 0.00 C ATOM 532 O ILE A 40 -3.888 -12.229 -14.567 1.00 0.00 O ATOM 533 CB ILE A 40 -6.202 -13.237 -12.932 1.00 0.00 C ATOM 534 CG1 ILE A 40 -6.927 -13.738 -11.681 1.00 0.00 C ATOM 535 CG2 ILE A 40 -7.000 -13.514 -14.207 1.00 0.00 C ATOM 536 CD1 ILE A 40 -8.210 -12.944 -11.434 1.00 0.00 C ATOM 0 H ILE A 40 -3.526 -12.579 -11.926 1.00 0.00 H new ATOM 0 HA ILE A 40 -4.933 -14.911 -13.074 1.00 0.00 H new ATOM 0 HB ILE A 40 -6.110 -12.155 -12.839 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -7.166 -14.795 -11.794 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -6.269 -13.651 -10.816 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -7.996 -13.081 -14.114 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -6.489 -13.068 -15.060 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -7.085 -14.590 -14.357 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -8.705 -13.321 -10.539 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -7.965 -11.891 -11.297 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -8.876 -13.053 -12.290 1.00 0.00 H new ATOM 547 N SER A 41 -3.575 -14.422 -15.019 1.00 0.00 N ATOM 548 CA SER A 41 -2.835 -14.178 -16.246 1.00 0.00 C ATOM 549 C SER A 41 -1.588 -13.343 -15.946 1.00 0.00 C ATOM 550 O SER A 41 -1.328 -12.347 -16.619 1.00 0.00 O ATOM 551 CB SER A 41 -3.709 -13.473 -17.285 1.00 0.00 C ATOM 552 OG SER A 41 -3.589 -14.068 -18.574 1.00 0.00 O ATOM 0 H SER A 41 -3.700 -15.407 -14.785 1.00 0.00 H new ATOM 0 HA SER A 41 -2.531 -15.139 -16.660 1.00 0.00 H new ATOM 0 HB2 SER A 41 -4.751 -13.506 -16.966 1.00 0.00 H new ATOM 0 HB3 SER A 41 -3.427 -12.422 -17.343 1.00 0.00 H new ATOM 0 HG SER A 41 -4.163 -13.591 -19.209 1.00 0.00 H new ATOM 557 N GLY A 42 -0.850 -13.781 -14.937 1.00 0.00 N ATOM 558 CA GLY A 42 0.363 -13.087 -14.541 1.00 0.00 C ATOM 559 C GLY A 42 0.041 -11.710 -13.958 1.00 0.00 C ATOM 560 O GLY A 42 0.944 -10.915 -13.700 1.00 0.00 O ATOM 0 H GLY A 42 -1.069 -14.608 -14.382 1.00 0.00 H new ATOM 0 HA2 GLY A 42 0.902 -13.681 -13.803 1.00 0.00 H new ATOM 0 HA3 GLY A 42 1.021 -12.976 -15.403 1.00 0.00 H new ATOM 564 N ARG A 43 -1.247 -11.469 -13.768 1.00 0.00 N ATOM 565 CA ARG A 43 -1.699 -10.201 -13.221 1.00 0.00 C ATOM 566 C ARG A 43 -2.109 -10.371 -11.757 1.00 0.00 C ATOM 567 O ARG A 43 -3.247 -10.735 -11.465 1.00 0.00 O ATOM 568 CB ARG A 43 -2.885 -9.650 -14.015 1.00 0.00 C ATOM 569 CG ARG A 43 -3.026 -8.140 -13.813 1.00 0.00 C ATOM 570 CD ARG A 43 -4.119 -7.824 -12.790 1.00 0.00 C ATOM 571 NE ARG A 43 -5.192 -7.027 -13.426 1.00 0.00 N ATOM 572 CZ ARG A 43 -4.997 -5.839 -14.016 1.00 0.00 C ATOM 573 NH1 ARG A 43 -3.768 -5.305 -14.055 1.00 0.00 N ATOM 574 NH2 ARG A 43 -6.029 -5.187 -14.568 1.00 0.00 N ATOM 0 H ARG A 43 -1.993 -12.131 -13.983 1.00 0.00 H new ATOM 0 HA ARG A 43 -0.871 -9.496 -13.291 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -2.751 -9.868 -15.075 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -3.801 -10.150 -13.701 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -2.076 -7.724 -13.476 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -3.264 -7.663 -14.764 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -4.531 -8.750 -12.388 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -3.695 -7.273 -11.950 1.00 0.00 H new ATOM 0 HE ARG A 43 -6.139 -7.405 -13.415 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -2.982 -5.802 -13.636 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -3.619 -4.401 -14.504 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -6.964 -5.594 -14.540 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -5.880 -4.283 -15.017 1.00 0.00 H new ATOM 585 N LYS A 44 -1.160 -10.099 -10.873 1.00 0.00 N ATOM 586 CA LYS A 44 -1.408 -10.218 -9.447 1.00 0.00 C ATOM 587 C LYS A 44 -2.353 -9.099 -9.004 1.00 0.00 C ATOM 588 O LYS A 44 -2.099 -7.925 -9.270 1.00 0.00 O ATOM 589 CB LYS A 44 -0.088 -10.249 -8.674 1.00 0.00 C ATOM 590 CG LYS A 44 0.230 -11.666 -8.190 1.00 0.00 C ATOM 591 CD LYS A 44 0.442 -11.693 -6.675 1.00 0.00 C ATOM 592 CE LYS A 44 1.803 -11.102 -6.301 1.00 0.00 C ATOM 593 NZ LYS A 44 2.834 -12.163 -6.261 1.00 0.00 N ATOM 0 H LYS A 44 -0.217 -9.796 -11.118 1.00 0.00 H new ATOM 0 HA LYS A 44 -1.904 -11.163 -9.224 1.00 0.00 H new ATOM 0 HB2 LYS A 44 0.719 -9.889 -9.311 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -0.146 -9.574 -7.820 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -0.585 -12.338 -8.459 1.00 0.00 H new ATOM 0 HG3 LYS A 44 1.125 -12.034 -8.693 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -0.351 -11.129 -6.183 1.00 0.00 H new ATOM 0 HD3 LYS A 44 0.375 -12.719 -6.313 1.00 0.00 H new ATOM 0 HE2 LYS A 44 2.086 -10.338 -7.025 1.00 0.00 H new ATOM 0 HE3 LYS A 44 1.739 -10.612 -5.330 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 3.752 -11.746 -6.006 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 2.570 -12.877 -5.553 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 2.906 -12.612 -7.196 1.00 0.00 H new ATOM 603 N LEU A 45 -3.424 -9.502 -8.335 1.00 0.00 N ATOM 604 CA LEU A 45 -4.408 -8.549 -7.853 1.00 0.00 C ATOM 605 C LEU A 45 -4.261 -8.393 -6.338 1.00 0.00 C ATOM 606 O LEU A 45 -3.813 -9.314 -5.656 1.00 0.00 O ATOM 607 CB LEU A 45 -5.814 -8.959 -8.295 1.00 0.00 C ATOM 608 CG LEU A 45 -6.470 -8.069 -9.353 1.00 0.00 C ATOM 609 CD1 LEU A 45 -5.426 -7.485 -10.305 1.00 0.00 C ATOM 610 CD2 LEU A 45 -7.569 -8.826 -10.101 1.00 0.00 C ATOM 0 H LEU A 45 -3.631 -10.476 -8.116 1.00 0.00 H new ATOM 0 HA LEU A 45 -4.234 -7.567 -8.294 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -5.769 -9.977 -8.682 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -6.458 -8.980 -7.416 1.00 0.00 H new ATOM 0 HG LEU A 45 -6.945 -7.230 -8.845 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -5.920 -6.857 -11.046 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -4.713 -6.886 -9.739 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -4.900 -8.295 -10.809 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -8.019 -8.171 -10.847 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -7.139 -9.697 -10.595 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -8.333 -9.150 -9.394 1.00 0.00 H new ATOM 621 N PHE A 46 -4.646 -7.220 -5.855 1.00 0.00 N ATOM 622 CA PHE A 46 -4.563 -6.933 -4.434 1.00 0.00 C ATOM 623 C PHE A 46 -5.717 -6.032 -3.988 1.00 0.00 C ATOM 624 O PHE A 46 -5.859 -4.912 -4.477 1.00 0.00 O ATOM 625 CB PHE A 46 -3.240 -6.199 -4.202 1.00 0.00 C ATOM 626 CG PHE A 46 -2.032 -6.872 -4.857 1.00 0.00 C ATOM 627 CD1 PHE A 46 -1.728 -6.611 -6.156 1.00 0.00 C ATOM 628 CD2 PHE A 46 -1.261 -7.734 -4.138 1.00 0.00 C ATOM 629 CE1 PHE A 46 -0.608 -7.236 -6.763 1.00 0.00 C ATOM 630 CE2 PHE A 46 -0.141 -8.359 -4.745 1.00 0.00 C ATOM 631 CZ PHE A 46 0.163 -8.097 -6.045 1.00 0.00 C ATOM 0 H PHE A 46 -5.016 -6.458 -6.423 1.00 0.00 H new ATOM 0 HA PHE A 46 -4.620 -7.860 -3.864 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -3.328 -5.182 -4.585 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -3.063 -6.121 -3.129 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -2.339 -5.927 -6.726 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -1.502 -7.942 -3.106 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -0.367 -7.028 -7.795 1.00 0.00 H new ATOM 0 HE2 PHE A 46 0.470 -9.043 -4.175 1.00 0.00 H new ATOM 0 HZ PHE A 46 1.016 -8.572 -6.507 1.00 0.00 H new ATOM 640 N TYR A 47 -6.511 -6.555 -3.065 1.00 0.00 N ATOM 641 CA TYR A 47 -7.648 -5.812 -2.549 1.00 0.00 C ATOM 642 C TYR A 47 -7.210 -4.821 -1.469 1.00 0.00 C ATOM 643 O TYR A 47 -7.161 -5.166 -0.288 1.00 0.00 O ATOM 644 CB TYR A 47 -8.581 -6.850 -1.923 1.00 0.00 C ATOM 645 CG TYR A 47 -9.995 -6.334 -1.653 1.00 0.00 C ATOM 646 CD1 TYR A 47 -10.661 -5.606 -2.619 1.00 0.00 C ATOM 647 CD2 TYR A 47 -10.606 -6.595 -0.444 1.00 0.00 C ATOM 648 CE1 TYR A 47 -11.992 -5.120 -2.365 1.00 0.00 C ATOM 649 CE2 TYR A 47 -11.937 -6.108 -0.190 1.00 0.00 C ATOM 650 CZ TYR A 47 -12.565 -5.395 -1.163 1.00 0.00 C ATOM 651 OH TYR A 47 -13.822 -4.935 -0.922 1.00 0.00 O ATOM 0 H TYR A 47 -6.389 -7.484 -2.661 1.00 0.00 H new ATOM 0 HA TYR A 47 -8.129 -5.244 -3.345 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -8.641 -7.715 -2.584 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -8.146 -7.195 -0.985 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -10.183 -5.401 -3.566 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -10.086 -7.165 0.312 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -12.524 -4.550 -3.112 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -12.426 -6.305 0.753 1.00 0.00 H new ATOM 0 HH TYR A 47 -14.104 -5.208 -0.024 1.00 0.00 H new ATOM 660 N VAL A 48 -6.903 -3.610 -1.910 1.00 0.00 N ATOM 661 CA VAL A 48 -6.471 -2.567 -0.996 1.00 0.00 C ATOM 662 C VAL A 48 -7.672 -1.698 -0.617 1.00 0.00 C ATOM 663 O VAL A 48 -8.636 -1.602 -1.374 1.00 0.00 O ATOM 664 CB VAL A 48 -5.326 -1.766 -1.619 1.00 0.00 C ATOM 665 CG1 VAL A 48 -4.202 -2.691 -2.090 1.00 0.00 C ATOM 666 CG2 VAL A 48 -5.831 -0.889 -2.767 1.00 0.00 C ATOM 0 H VAL A 48 -6.945 -3.328 -2.889 1.00 0.00 H new ATOM 0 HA VAL A 48 -6.081 -3.003 -0.076 1.00 0.00 H new ATOM 0 HB VAL A 48 -4.920 -1.110 -0.849 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -3.401 -2.096 -2.529 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -3.813 -3.253 -1.241 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -4.590 -3.384 -2.837 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -4.997 -0.330 -3.192 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -6.276 -1.519 -3.537 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -6.580 -0.192 -2.390 1.00 0.00 H new ATOM 676 N HIS A 49 -7.573 -1.087 0.555 1.00 0.00 N ATOM 677 CA HIS A 49 -8.639 -0.229 1.044 1.00 0.00 C ATOM 678 C HIS A 49 -8.056 1.119 1.473 1.00 0.00 C ATOM 679 O HIS A 49 -7.264 1.185 2.412 1.00 0.00 O ATOM 680 CB HIS A 49 -9.423 -0.920 2.161 1.00 0.00 C ATOM 681 CG HIS A 49 -10.378 -0.009 2.895 1.00 0.00 C ATOM 682 ND1 HIS A 49 -11.601 0.375 2.372 1.00 0.00 N ATOM 683 CD2 HIS A 49 -10.277 0.590 4.117 1.00 0.00 C ATOM 684 CE1 HIS A 49 -12.199 1.169 3.247 1.00 0.00 C ATOM 685 NE2 HIS A 49 -11.377 1.302 4.328 1.00 0.00 N ATOM 0 H HIS A 49 -6.771 -1.169 1.180 1.00 0.00 H new ATOM 0 HA HIS A 49 -9.354 -0.038 0.244 1.00 0.00 H new ATOM 0 HB2 HIS A 49 -9.985 -1.752 1.736 1.00 0.00 H new ATOM 0 HB3 HIS A 49 -8.719 -1.344 2.877 1.00 0.00 H new ATOM 0 HD2 HIS A 49 -9.443 0.500 4.797 1.00 0.00 H new ATOM 0 HE1 HIS A 49 -13.168 1.631 3.126 1.00 0.00 H new ATOM 0 HE2 HIS A 49 -11.575 1.857 5.161 1.00 0.00 H new ATOM 692 N TYR A 50 -8.471 2.160 0.767 1.00 0.00 N ATOM 693 CA TYR A 50 -8.001 3.502 1.064 1.00 0.00 C ATOM 694 C TYR A 50 -8.346 3.899 2.501 1.00 0.00 C ATOM 695 O TYR A 50 -9.486 3.739 2.936 1.00 0.00 O ATOM 696 CB TYR A 50 -8.740 4.431 0.100 1.00 0.00 C ATOM 697 CG TYR A 50 -8.557 4.070 -1.376 1.00 0.00 C ATOM 698 CD1 TYR A 50 -7.293 3.843 -1.880 1.00 0.00 C ATOM 699 CD2 TYR A 50 -9.657 3.970 -2.204 1.00 0.00 C ATOM 700 CE1 TYR A 50 -7.121 3.504 -3.268 1.00 0.00 C ATOM 701 CE2 TYR A 50 -9.486 3.630 -3.592 1.00 0.00 C ATOM 702 CZ TYR A 50 -8.225 3.414 -4.056 1.00 0.00 C ATOM 703 OH TYR A 50 -8.063 3.092 -5.367 1.00 0.00 O ATOM 0 H TYR A 50 -9.128 2.101 -0.011 1.00 0.00 H new ATOM 0 HA TYR A 50 -6.918 3.562 0.955 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -9.803 4.414 0.338 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -8.394 5.452 0.259 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -6.432 3.920 -1.233 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -10.647 4.147 -1.810 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -6.137 3.325 -3.675 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -10.339 3.548 -4.250 1.00 0.00 H new ATOM 0 HH TYR A 50 -8.933 3.110 -5.818 1.00 0.00 H new ATOM 712 N ILE A 51 -7.340 4.408 3.198 1.00 0.00 N ATOM 713 CA ILE A 51 -7.523 4.828 4.577 1.00 0.00 C ATOM 714 C ILE A 51 -7.296 6.338 4.680 1.00 0.00 C ATOM 715 O ILE A 51 -7.344 6.903 5.770 1.00 0.00 O ATOM 716 CB ILE A 51 -6.632 4.007 5.511 1.00 0.00 C ATOM 717 CG1 ILE A 51 -5.209 3.902 4.957 1.00 0.00 C ATOM 718 CG2 ILE A 51 -7.243 2.631 5.783 1.00 0.00 C ATOM 719 CD1 ILE A 51 -4.981 2.547 4.285 1.00 0.00 C ATOM 0 H ILE A 51 -6.396 4.539 2.834 1.00 0.00 H new ATOM 0 HA ILE A 51 -8.546 4.636 4.901 1.00 0.00 H new ATOM 0 HB ILE A 51 -6.569 4.526 6.467 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -5.035 4.702 4.238 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -4.490 4.037 5.765 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -6.590 2.068 6.450 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -8.220 2.753 6.250 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -7.355 2.090 4.843 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -3.962 2.499 3.900 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -5.132 1.750 5.013 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -5.686 2.426 3.462 1.00 0.00 H new ATOM 844 N GLU A 59 -11.142 -1.929 -2.868 1.00 0.00 N ATOM 845 CA GLU A 59 -11.191 -2.329 -4.264 1.00 0.00 C ATOM 846 C GLU A 59 -9.898 -3.047 -4.655 1.00 0.00 C ATOM 847 O GLU A 59 -8.912 -3.001 -3.921 1.00 0.00 O ATOM 848 CB GLU A 59 -11.445 -1.124 -5.171 1.00 0.00 C ATOM 849 CG GLU A 59 -10.288 -0.126 -5.094 1.00 0.00 C ATOM 850 CD GLU A 59 -10.199 0.711 -6.372 1.00 0.00 C ATOM 851 OE1 GLU A 59 -10.173 0.089 -7.457 1.00 0.00 O ATOM 852 OE2 GLU A 59 -10.161 1.953 -6.237 1.00 0.00 O ATOM 0 HA GLU A 59 -12.022 -3.022 -4.395 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -11.573 -1.460 -6.200 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -12.373 -0.633 -4.878 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -10.426 0.530 -4.234 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -9.351 -0.661 -4.940 1.00 0.00 H new ATOM 857 N TRP A 60 -9.944 -3.693 -5.811 1.00 0.00 N ATOM 858 CA TRP A 60 -8.788 -4.420 -6.308 1.00 0.00 C ATOM 859 C TRP A 60 -7.924 -3.443 -7.108 1.00 0.00 C ATOM 860 O TRP A 60 -8.446 -2.597 -7.833 1.00 0.00 O ATOM 861 CB TRP A 60 -9.217 -5.643 -7.121 1.00 0.00 C ATOM 862 CG TRP A 60 -10.067 -6.645 -6.337 1.00 0.00 C ATOM 863 CD1 TRP A 60 -11.385 -6.607 -6.107 1.00 0.00 C ATOM 864 CD2 TRP A 60 -9.597 -7.844 -5.684 1.00 0.00 C ATOM 865 NE1 TRP A 60 -11.800 -7.689 -5.358 1.00 0.00 N ATOM 866 CE2 TRP A 60 -10.678 -8.464 -5.092 1.00 0.00 C ATOM 867 CE3 TRP A 60 -8.302 -8.386 -5.597 1.00 0.00 C ATOM 868 CZ2 TRP A 60 -10.575 -9.661 -4.370 1.00 0.00 C ATOM 869 CZ3 TRP A 60 -8.217 -9.581 -4.873 1.00 0.00 C ATOM 870 CH2 TRP A 60 -9.295 -10.218 -4.270 1.00 0.00 C ATOM 0 H TRP A 60 -10.763 -3.728 -6.418 1.00 0.00 H new ATOM 0 HA TRP A 60 -8.195 -4.814 -5.482 1.00 0.00 H new ATOM 0 HB2 TRP A 60 -9.780 -5.308 -7.992 1.00 0.00 H new ATOM 0 HB3 TRP A 60 -8.327 -6.150 -7.493 1.00 0.00 H new ATOM 0 HD1 TRP A 60 -12.042 -5.827 -6.463 1.00 0.00 H new ATOM 0 HE1 TRP A 60 -12.754 -7.884 -5.055 1.00 0.00 H new ATOM 0 HE3 TRP A 60 -7.442 -7.918 -6.052 1.00 0.00 H new ATOM 0 HZ2 TRP A 60 -11.436 -10.128 -3.916 1.00 0.00 H new ATOM 0 HZ3 TRP A 60 -7.245 -10.041 -4.776 1.00 0.00 H new ATOM 0 HH2 TRP A 60 -9.146 -11.139 -3.726 1.00 0.00 H new ATOM 880 N VAL A 61 -6.617 -3.592 -6.950 1.00 0.00 N ATOM 881 CA VAL A 61 -5.675 -2.734 -7.648 1.00 0.00 C ATOM 882 C VAL A 61 -4.610 -3.598 -8.326 1.00 0.00 C ATOM 883 O VAL A 61 -4.727 -4.822 -8.359 1.00 0.00 O ATOM 884 CB VAL A 61 -5.085 -1.707 -6.680 1.00 0.00 C ATOM 885 CG1 VAL A 61 -6.166 -0.755 -6.165 1.00 0.00 C ATOM 886 CG2 VAL A 61 -4.365 -2.398 -5.520 1.00 0.00 C ATOM 0 H VAL A 61 -6.188 -4.295 -6.348 1.00 0.00 H new ATOM 0 HA VAL A 61 -6.181 -2.169 -8.431 1.00 0.00 H new ATOM 0 HB VAL A 61 -4.350 -1.115 -7.226 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -5.720 -0.035 -5.479 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -6.615 -0.225 -7.005 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -6.935 -1.325 -5.643 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -3.955 -1.646 -4.846 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -5.071 -3.026 -4.976 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -3.556 -3.016 -5.910 1.00 0.00 H new ATOM 896 N THR A 62 -3.595 -2.927 -8.850 1.00 0.00 N ATOM 897 CA THR A 62 -2.509 -3.618 -9.526 1.00 0.00 C ATOM 898 C THR A 62 -1.171 -3.286 -8.863 1.00 0.00 C ATOM 899 O THR A 62 -1.101 -2.404 -8.007 1.00 0.00 O ATOM 900 CB THR A 62 -2.562 -3.245 -11.008 1.00 0.00 C ATOM 901 OG1 THR A 62 -2.642 -1.823 -11.007 1.00 0.00 O ATOM 902 CG2 THR A 62 -3.864 -3.691 -11.679 1.00 0.00 C ATOM 0 H THR A 62 -3.501 -1.912 -8.820 1.00 0.00 H new ATOM 0 HA THR A 62 -2.617 -4.700 -9.444 1.00 0.00 H new ATOM 0 HB THR A 62 -1.714 -3.695 -11.525 1.00 0.00 H new ATOM 0 HG1 THR A 62 -2.838 -1.506 -11.913 1.00 0.00 H new ATOM 0 HG21 THR A 62 -3.850 -3.401 -12.730 1.00 0.00 H new ATOM 0 HG22 THR A 62 -3.960 -4.774 -11.602 1.00 0.00 H new ATOM 0 HG23 THR A 62 -4.710 -3.215 -11.183 1.00 0.00 H new ATOM 910 N HIS A 63 -0.143 -4.009 -9.282 1.00 0.00 N ATOM 911 CA HIS A 63 1.188 -3.803 -8.739 1.00 0.00 C ATOM 912 C HIS A 63 1.657 -2.382 -9.059 1.00 0.00 C ATOM 913 O HIS A 63 2.175 -1.685 -8.188 1.00 0.00 O ATOM 914 CB HIS A 63 2.154 -4.874 -9.247 1.00 0.00 C ATOM 915 CG HIS A 63 3.607 -4.465 -9.197 1.00 0.00 C ATOM 916 ND1 HIS A 63 4.278 -3.668 -8.318 1.00 0.00 N flip ATOM 917 CD2 HIS A 63 4.538 -4.888 -10.130 1.00 0.00 C flip ATOM 918 CE1 HIS A 63 5.551 -3.608 -8.692 1.00 0.00 C flip ATOM 919 NE2 HIS A 63 5.713 -4.363 -9.816 1.00 0.00 N flip ATOM 0 H HIS A 63 -0.206 -4.739 -9.992 1.00 0.00 H new ATOM 0 HA HIS A 63 1.162 -3.905 -7.654 1.00 0.00 H new ATOM 0 HB2 HIS A 63 2.021 -5.779 -8.654 1.00 0.00 H new ATOM 0 HB3 HIS A 63 1.893 -5.126 -10.275 1.00 0.00 H new ATOM 0 HD1 HIS A 63 3.871 -3.197 -7.510 1.00 0.00 H new ATOM 0 HD2 HIS A 63 4.340 -5.536 -10.971 1.00 0.00 H new ATOM 0 HE1 HIS A 63 6.329 -3.053 -8.189 1.00 0.00 H new ATOM 926 N GLU A 64 1.460 -1.996 -10.310 1.00 0.00 N ATOM 927 CA GLU A 64 1.856 -0.670 -10.755 1.00 0.00 C ATOM 928 C GLU A 64 1.360 0.392 -9.771 1.00 0.00 C ATOM 929 O GLU A 64 1.966 1.453 -9.640 1.00 0.00 O ATOM 930 CB GLU A 64 1.341 -0.390 -12.169 1.00 0.00 C ATOM 931 CG GLU A 64 -0.159 -0.671 -12.273 1.00 0.00 C ATOM 932 CD GLU A 64 -0.532 -1.140 -13.681 1.00 0.00 C ATOM 933 OE1 GLU A 64 -0.630 -0.262 -14.564 1.00 0.00 O ATOM 934 OE2 GLU A 64 -0.712 -2.366 -13.841 1.00 0.00 O ATOM 0 H GLU A 64 1.031 -2.577 -11.030 1.00 0.00 H new ATOM 0 HA GLU A 64 2.945 -0.629 -10.785 1.00 0.00 H new ATOM 0 HB2 GLU A 64 1.539 0.649 -12.433 1.00 0.00 H new ATOM 0 HB3 GLU A 64 1.881 -1.009 -12.886 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -0.441 -1.432 -11.545 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -0.720 0.230 -12.025 1.00 0.00 H new ATOM 939 N ARG A 65 0.262 0.066 -9.104 1.00 0.00 N ATOM 940 CA ARG A 65 -0.322 0.979 -8.136 1.00 0.00 C ATOM 941 C ARG A 65 0.352 0.810 -6.773 1.00 0.00 C ATOM 942 O ARG A 65 0.417 1.754 -5.987 1.00 0.00 O ATOM 943 CB ARG A 65 -1.825 0.736 -7.987 1.00 0.00 C ATOM 944 CG ARG A 65 -2.620 1.588 -8.978 1.00 0.00 C ATOM 945 CD ARG A 65 -3.717 0.763 -9.656 1.00 0.00 C ATOM 946 NE ARG A 65 -4.803 1.652 -10.124 1.00 0.00 N ATOM 947 CZ ARG A 65 -5.874 1.232 -10.810 1.00 0.00 C ATOM 948 NH1 ARG A 65 -6.009 -0.066 -11.113 1.00 0.00 N ATOM 949 NH2 ARG A 65 -6.810 2.111 -11.195 1.00 0.00 N ATOM 0 H ARG A 65 -0.238 -0.816 -9.215 1.00 0.00 H new ATOM 0 HA ARG A 65 -0.164 1.994 -8.500 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -2.044 -0.319 -8.152 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -2.136 0.971 -6.969 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -3.067 2.435 -8.458 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -1.948 1.996 -9.733 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -3.300 0.211 -10.498 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -4.114 0.027 -8.957 1.00 0.00 H new ATOM 0 HE ARG A 65 -4.732 2.647 -9.911 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -5.296 -0.735 -10.821 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -6.825 -0.386 -11.635 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -6.707 3.099 -10.966 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -7.626 1.791 -11.717 1.00 0.00 H new ATOM 960 N LEU A 66 0.837 -0.399 -6.535 1.00 0.00 N ATOM 961 CA LEU A 66 1.505 -0.705 -5.281 1.00 0.00 C ATOM 962 C LEU A 66 2.896 -0.067 -5.279 1.00 0.00 C ATOM 963 O LEU A 66 3.750 -0.430 -6.086 1.00 0.00 O ATOM 964 CB LEU A 66 1.521 -2.215 -5.035 1.00 0.00 C ATOM 965 CG LEU A 66 0.159 -2.911 -5.051 1.00 0.00 C ATOM 966 CD1 LEU A 66 0.322 -4.432 -5.087 1.00 0.00 C ATOM 967 CD2 LEU A 66 -0.705 -2.454 -3.875 1.00 0.00 C ATOM 0 H LEU A 66 0.781 -1.179 -7.190 1.00 0.00 H new ATOM 0 HA LEU A 66 0.955 -0.275 -4.443 1.00 0.00 H new ATOM 0 HB2 LEU A 66 2.153 -2.680 -5.792 1.00 0.00 H new ATOM 0 HB3 LEU A 66 1.991 -2.401 -4.069 1.00 0.00 H new ATOM 0 HG LEU A 66 -0.362 -2.621 -5.963 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -0.661 -4.903 -5.098 1.00 0.00 H new ATOM 0 HD12 LEU A 66 0.871 -4.718 -5.984 1.00 0.00 H new ATOM 0 HD13 LEU A 66 0.872 -4.760 -4.205 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -1.667 -2.964 -3.911 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -0.201 -2.694 -2.939 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -0.863 -1.377 -3.936 1.00 0.00 H new ATOM 978 N ASP A 67 3.079 0.875 -4.365 1.00 0.00 N ATOM 979 CA ASP A 67 4.350 1.567 -4.248 1.00 0.00 C ATOM 980 C ASP A 67 5.143 0.976 -3.080 1.00 0.00 C ATOM 981 O ASP A 67 5.271 1.605 -2.031 1.00 0.00 O ATOM 982 CB ASP A 67 4.143 3.058 -3.973 1.00 0.00 C ATOM 983 CG ASP A 67 5.233 3.976 -4.529 1.00 0.00 C ATOM 984 OD1 ASP A 67 6.102 3.449 -5.259 1.00 0.00 O ATOM 985 OD2 ASP A 67 5.174 5.183 -4.212 1.00 0.00 O ATOM 0 H ASP A 67 2.367 1.175 -3.699 1.00 0.00 H new ATOM 0 HA ASP A 67 4.887 1.445 -5.189 1.00 0.00 H new ATOM 0 HB2 ASP A 67 3.185 3.360 -4.395 1.00 0.00 H new ATOM 0 HB3 ASP A 67 4.078 3.208 -2.895 1.00 0.00 H new ATOM 989 N LEU A 68 5.654 -0.226 -3.302 1.00 0.00 N ATOM 990 CA LEU A 68 6.429 -0.908 -2.280 1.00 0.00 C ATOM 991 C LEU A 68 7.516 0.033 -1.756 1.00 0.00 C ATOM 992 O LEU A 68 8.025 -0.154 -0.652 1.00 0.00 O ATOM 993 CB LEU A 68 6.973 -2.234 -2.817 1.00 0.00 C ATOM 994 CG LEU A 68 6.018 -3.042 -3.699 1.00 0.00 C ATOM 995 CD1 LEU A 68 6.438 -4.512 -3.759 1.00 0.00 C ATOM 996 CD2 LEU A 68 4.570 -2.878 -3.234 1.00 0.00 C ATOM 0 H LEU A 68 5.547 -0.745 -4.174 1.00 0.00 H new ATOM 0 HA LEU A 68 5.795 -1.168 -1.432 1.00 0.00 H new ATOM 0 HB2 LEU A 68 7.878 -2.028 -3.389 1.00 0.00 H new ATOM 0 HB3 LEU A 68 7.266 -2.854 -1.970 1.00 0.00 H new ATOM 0 HG LEU A 68 6.076 -2.649 -4.714 1.00 0.00 H new ATOM 0 HD11 LEU A 68 5.743 -5.063 -4.392 1.00 0.00 H new ATOM 0 HD12 LEU A 68 7.443 -4.587 -4.173 1.00 0.00 H new ATOM 0 HD13 LEU A 68 6.427 -4.935 -2.754 1.00 0.00 H new ATOM 0 HD21 LEU A 68 3.913 -3.462 -3.878 1.00 0.00 H new ATOM 0 HD22 LEU A 68 4.476 -3.228 -2.206 1.00 0.00 H new ATOM 0 HD23 LEU A 68 4.288 -1.826 -3.286 1.00 0.00 H new ATOM 1007 N LYS A 69 7.838 1.026 -2.572 1.00 0.00 N ATOM 1008 CA LYS A 69 8.855 1.997 -2.206 1.00 0.00 C ATOM 1009 C LYS A 69 8.379 2.790 -0.986 1.00 0.00 C ATOM 1010 O LYS A 69 9.155 3.526 -0.379 1.00 0.00 O ATOM 1011 CB LYS A 69 9.216 2.873 -3.406 1.00 0.00 C ATOM 1012 CG LYS A 69 9.559 2.018 -4.627 1.00 0.00 C ATOM 1013 CD LYS A 69 10.796 2.558 -5.347 1.00 0.00 C ATOM 1014 CE LYS A 69 10.601 2.536 -6.864 1.00 0.00 C ATOM 1015 NZ LYS A 69 11.782 3.111 -7.546 1.00 0.00 N ATOM 0 H LYS A 69 7.412 1.179 -3.486 1.00 0.00 H new ATOM 0 HA LYS A 69 9.778 1.493 -1.920 1.00 0.00 H new ATOM 0 HB2 LYS A 69 8.381 3.533 -3.643 1.00 0.00 H new ATOM 0 HB3 LYS A 69 10.064 3.510 -3.154 1.00 0.00 H new ATOM 0 HG2 LYS A 69 9.736 0.988 -4.316 1.00 0.00 H new ATOM 0 HG3 LYS A 69 8.713 2.003 -5.314 1.00 0.00 H new ATOM 0 HD2 LYS A 69 10.997 3.577 -5.017 1.00 0.00 H new ATOM 0 HD3 LYS A 69 11.667 1.959 -5.080 1.00 0.00 H new ATOM 0 HE2 LYS A 69 10.441 1.512 -7.201 1.00 0.00 H new ATOM 0 HE3 LYS A 69 9.708 3.102 -7.130 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 11.634 3.089 -8.575 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 11.917 4.095 -7.237 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 12.627 2.554 -7.306 1.00 0.00 H new ATOM 1025 N LYS A 70 7.107 2.612 -0.665 1.00 0.00 N ATOM 1026 CA LYS A 70 6.518 3.302 0.471 1.00 0.00 C ATOM 1027 C LYS A 70 5.691 2.310 1.292 1.00 0.00 C ATOM 1028 O LYS A 70 4.799 2.709 2.039 1.00 0.00 O ATOM 1029 CB LYS A 70 5.727 4.524 0.005 1.00 0.00 C ATOM 1030 CG LYS A 70 6.665 5.654 -0.425 1.00 0.00 C ATOM 1031 CD LYS A 70 5.953 7.007 -0.375 1.00 0.00 C ATOM 1032 CE LYS A 70 6.619 8.013 -1.316 1.00 0.00 C ATOM 1033 NZ LYS A 70 5.772 8.250 -2.506 1.00 0.00 N ATOM 0 H LYS A 70 6.467 2.000 -1.171 1.00 0.00 H new ATOM 0 HA LYS A 70 7.298 3.688 1.128 1.00 0.00 H new ATOM 0 HB2 LYS A 70 5.080 4.247 -0.828 1.00 0.00 H new ATOM 0 HB3 LYS A 70 5.079 4.871 0.810 1.00 0.00 H new ATOM 0 HG2 LYS A 70 7.538 5.674 0.227 1.00 0.00 H new ATOM 0 HG3 LYS A 70 7.026 5.466 -1.436 1.00 0.00 H new ATOM 0 HD2 LYS A 70 4.907 6.882 -0.653 1.00 0.00 H new ATOM 0 HD3 LYS A 70 5.968 7.392 0.645 1.00 0.00 H new ATOM 0 HE2 LYS A 70 6.790 8.953 -0.791 1.00 0.00 H new ATOM 0 HE3 LYS A 70 7.595 7.639 -1.626 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 6.239 8.935 -3.134 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 5.630 7.354 -3.015 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 4.850 8.627 -2.207 1.00 0.00 H new ATOM 1043 N ILE A 71 6.016 1.036 1.125 1.00 0.00 N ATOM 1044 CA ILE A 71 5.314 -0.015 1.841 1.00 0.00 C ATOM 1045 C ILE A 71 5.524 0.171 3.345 1.00 0.00 C ATOM 1046 O ILE A 71 6.496 0.794 3.768 1.00 0.00 O ATOM 1047 CB ILE A 71 5.741 -1.391 1.326 1.00 0.00 C ATOM 1048 CG1 ILE A 71 4.525 -2.230 0.926 1.00 0.00 C ATOM 1049 CG2 ILE A 71 6.622 -2.111 2.350 1.00 0.00 C ATOM 1050 CD1 ILE A 71 4.924 -3.681 0.658 1.00 0.00 C ATOM 0 H ILE A 71 6.756 0.708 0.504 1.00 0.00 H new ATOM 0 HA ILE A 71 4.241 0.050 1.658 1.00 0.00 H new ATOM 0 HB ILE A 71 6.342 -1.247 0.428 1.00 0.00 H new ATOM 0 HG12 ILE A 71 3.778 -2.195 1.719 1.00 0.00 H new ATOM 0 HG13 ILE A 71 4.063 -1.806 0.034 1.00 0.00 H new ATOM 0 HG21 ILE A 71 6.911 -3.086 1.959 1.00 0.00 H new ATOM 0 HG22 ILE A 71 7.516 -1.517 2.542 1.00 0.00 H new ATOM 0 HG23 ILE A 71 6.067 -2.243 3.279 1.00 0.00 H new ATOM 0 HD11 ILE A 71 4.041 -4.255 0.376 1.00 0.00 H new ATOM 0 HD12 ILE A 71 5.653 -3.714 -0.152 1.00 0.00 H new ATOM 0 HD13 ILE A 71 5.363 -4.110 1.559 1.00 0.00 H new ATOM 1061 N GLN A 72 4.595 -0.381 4.112 1.00 0.00 N ATOM 1062 CA GLN A 72 4.666 -0.284 5.560 1.00 0.00 C ATOM 1063 C GLN A 72 4.171 -1.581 6.204 1.00 0.00 C ATOM 1064 O GLN A 72 3.096 -1.613 6.800 1.00 0.00 O ATOM 1065 CB GLN A 72 3.867 0.918 6.069 1.00 0.00 C ATOM 1066 CG GLN A 72 3.570 0.786 7.564 1.00 0.00 C ATOM 1067 CD GLN A 72 3.593 2.154 8.249 1.00 0.00 C ATOM 1068 OE1 GLN A 72 4.402 2.427 9.120 1.00 0.00 O ATOM 1069 NE2 GLN A 72 2.660 2.995 7.811 1.00 0.00 N ATOM 0 H GLN A 72 3.789 -0.897 3.758 1.00 0.00 H new ATOM 0 HA GLN A 72 5.708 -0.134 5.843 1.00 0.00 H new ATOM 0 HB2 GLN A 72 4.427 1.835 5.885 1.00 0.00 H new ATOM 0 HB3 GLN A 72 2.932 0.999 5.515 1.00 0.00 H new ATOM 0 HG2 GLN A 72 2.594 0.321 7.705 1.00 0.00 H new ATOM 0 HG3 GLN A 72 4.306 0.130 8.028 1.00 0.00 H new ATOM 0 HE21 GLN A 72 2.013 2.703 7.078 1.00 0.00 H new ATOM 0 HE22 GLN A 72 2.591 3.932 8.208 1.00 0.00 H new ATOM 1076 N PHE A 73 4.980 -2.621 6.061 1.00 0.00 N ATOM 1077 CA PHE A 73 4.639 -3.917 6.622 1.00 0.00 C ATOM 1078 C PHE A 73 4.140 -3.778 8.061 1.00 0.00 C ATOM 1079 O PHE A 73 4.524 -2.848 8.768 1.00 0.00 O ATOM 1080 CB PHE A 73 5.919 -4.757 6.616 1.00 0.00 C ATOM 1081 CG PHE A 73 6.208 -5.443 5.279 1.00 0.00 C ATOM 1082 CD1 PHE A 73 6.772 -4.740 4.263 1.00 0.00 C ATOM 1083 CD2 PHE A 73 5.899 -6.757 5.110 1.00 0.00 C ATOM 1084 CE1 PHE A 73 7.040 -5.377 3.022 1.00 0.00 C ATOM 1085 CE2 PHE A 73 6.167 -7.394 3.869 1.00 0.00 C ATOM 1086 CZ PHE A 73 6.732 -6.690 2.852 1.00 0.00 C ATOM 0 H PHE A 73 5.871 -2.592 5.565 1.00 0.00 H new ATOM 0 HA PHE A 73 3.846 -4.380 6.035 1.00 0.00 H new ATOM 0 HB2 PHE A 73 6.763 -4.117 6.874 1.00 0.00 H new ATOM 0 HB3 PHE A 73 5.846 -5.517 7.394 1.00 0.00 H new ATOM 0 HD1 PHE A 73 7.017 -3.697 4.399 1.00 0.00 H new ATOM 0 HD2 PHE A 73 5.450 -7.315 5.918 1.00 0.00 H new ATOM 0 HE1 PHE A 73 7.488 -4.818 2.214 1.00 0.00 H new ATOM 0 HE2 PHE A 73 5.922 -8.437 3.733 1.00 0.00 H new ATOM 0 HZ PHE A 73 6.936 -7.174 1.909 1.00 0.00 H new ATOM 1095 N PRO A 74 3.269 -4.743 8.463 1.00 0.00 N ATOM 1096 CA PRO A 74 2.714 -4.738 9.805 1.00 0.00 C ATOM 1097 C PRO A 74 3.751 -5.199 10.830 1.00 0.00 C ATOM 1098 O PRO A 74 4.785 -5.756 10.465 1.00 0.00 O ATOM 1099 CB PRO A 74 1.502 -5.653 9.733 1.00 0.00 C ATOM 1100 CG PRO A 74 1.692 -6.499 8.484 1.00 0.00 C ATOM 1101 CD PRO A 74 2.793 -5.860 7.653 1.00 0.00 C ATOM 0 HA PRO A 74 2.425 -3.741 10.136 1.00 0.00 H new ATOM 0 HB2 PRO A 74 1.432 -6.280 10.622 1.00 0.00 H new ATOM 0 HB3 PRO A 74 0.579 -5.075 9.677 1.00 0.00 H new ATOM 0 HG2 PRO A 74 1.960 -7.521 8.752 1.00 0.00 H new ATOM 0 HG3 PRO A 74 0.765 -6.552 7.914 1.00 0.00 H new ATOM 0 HD2 PRO A 74 3.595 -6.569 7.446 1.00 0.00 H new ATOM 0 HD3 PRO A 74 2.414 -5.517 6.690 1.00 0.00 H new