USER MOD reduce.3.24.130724 H: found=0, std=0, add=559, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 556 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 57 HIS : no HD1:sc= 0.705 K(o=-10,f=-17!) USER MOD Set 1.2: A 59 HIS : no HD1:sc= -12.3! C(o=-10!,f=-10!) USER MOD Set 1.3: A 85 SER OG : rot -107:sc= 1.26 USER MOD Set 2.1: A 31 THR OG1 : rot 180:sc= 0.0201 USER MOD Set 2.2: A 34 HIS : no HE2:sc= 0.0113 K(o=0.031,f=-0.51) USER MOD Single : A 10 HIS : no HD1:sc=-0.000181 X(o=-0.00018,f=0) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot 180:sc= -0.262! USER MOD Single : A 21 CYS SG : rot 17:sc= 0.149 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 36 CYS SG : rot 60:sc= -0.293 USER MOD Single : A 38 MET CE :methyl -146:sc= -2.98 (180deg=-8.42!) USER MOD Single : A 56 CYS SG : rot 21:sc= -2.28 USER MOD Single : A 69 HIS : no HD1:sc= -2.8! K(o=-2.8!,f=-2.3) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 76 GLN : amide:sc= -0.49 X(o=-0.49,f=-0.073) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 66 N ARG A 8 -10.134 -15.499 1.908 1.00 0.00 N ATOM 67 CA ARG A 8 -9.016 -15.079 1.080 1.00 0.00 C ATOM 68 C ARG A 8 -8.320 -13.867 1.704 1.00 0.00 C ATOM 69 O ARG A 8 -8.931 -13.121 2.468 1.00 0.00 O ATOM 70 CB ARG A 8 -9.482 -14.719 -0.332 1.00 0.00 C ATOM 71 CG ARG A 8 -9.084 -15.806 -1.334 1.00 0.00 C ATOM 72 CD ARG A 8 -9.957 -17.052 -1.167 1.00 0.00 C ATOM 73 NE ARG A 8 -9.371 -18.184 -1.918 1.00 0.00 N ATOM 74 CZ ARG A 8 -9.547 -18.386 -3.231 1.00 0.00 C ATOM 75 NH1 ARG A 8 -10.292 -17.532 -3.946 1.00 0.00 N ATOM 76 NH2 ARG A 8 -8.977 -19.441 -3.829 1.00 0.00 N ATOM 0 HA ARG A 8 -8.317 -15.913 1.018 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -10.564 -14.590 -0.340 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -9.046 -13.766 -0.631 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -9.182 -15.423 -2.350 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -8.036 -16.070 -1.192 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -10.040 -17.309 -0.111 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -10.966 -16.850 -1.526 1.00 0.00 H new ATOM 0 HE ARG A 8 -8.797 -18.853 -1.404 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -10.725 -16.728 -3.491 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -10.426 -17.686 -4.945 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -8.409 -20.090 -3.285 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -9.111 -19.595 -4.828 1.00 0.00 H new ATOM 90 N PRO A 9 -7.018 -13.705 1.346 1.00 0.00 N ATOM 91 CA PRO A 9 -6.232 -12.598 1.862 1.00 0.00 C ATOM 92 C PRO A 9 -6.620 -11.285 1.178 1.00 0.00 C ATOM 93 O PRO A 9 -7.405 -11.283 0.231 1.00 0.00 O ATOM 94 CB PRO A 9 -4.786 -12.992 1.614 1.00 0.00 C ATOM 95 CG PRO A 9 -4.827 -14.084 0.556 1.00 0.00 C ATOM 96 CD PRO A 9 -6.262 -14.570 0.444 1.00 0.00 C ATOM 0 HA PRO A 9 -6.405 -12.418 2.923 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -4.202 -12.138 1.271 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -4.317 -13.353 2.529 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -4.478 -13.700 -0.403 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -4.166 -14.906 0.830 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -6.628 -14.491 -0.580 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -6.349 -15.617 0.734 1.00 0.00 H new ATOM 104 N HIS A 10 -6.051 -10.201 1.684 1.00 0.00 N ATOM 105 CA HIS A 10 -6.327 -8.885 1.134 1.00 0.00 C ATOM 106 C HIS A 10 -5.074 -8.344 0.442 1.00 0.00 C ATOM 107 O HIS A 10 -4.112 -7.960 1.104 1.00 0.00 O ATOM 108 CB HIS A 10 -6.859 -7.943 2.216 1.00 0.00 C ATOM 109 CG HIS A 10 -8.184 -8.368 2.803 1.00 0.00 C ATOM 110 ND1 HIS A 10 -9.398 -8.052 2.219 1.00 0.00 N ATOM 111 CD2 HIS A 10 -8.473 -9.088 3.925 1.00 0.00 C ATOM 112 CE1 HIS A 10 -10.367 -8.562 2.965 1.00 0.00 C ATOM 113 NE2 HIS A 10 -9.791 -9.203 4.022 1.00 0.00 N ATOM 0 H HIS A 10 -5.400 -10.207 2.469 1.00 0.00 H new ATOM 0 HA HIS A 10 -7.112 -8.960 0.382 1.00 0.00 H new ATOM 0 HB2 HIS A 10 -6.123 -7.875 3.017 1.00 0.00 H new ATOM 0 HB3 HIS A 10 -6.964 -6.944 1.794 1.00 0.00 H new ATOM 0 HD2 HIS A 10 -7.751 -9.495 4.617 1.00 0.00 H new ATOM 0 HE1 HIS A 10 -11.426 -8.484 2.770 1.00 0.00 H new ATOM 0 HE2 HIS A 10 -10.291 -9.691 4.765 1.00 0.00 H new ATOM 121 N VAL A 11 -5.127 -8.332 -0.882 1.00 0.00 N ATOM 122 CA VAL A 11 -4.008 -7.846 -1.671 1.00 0.00 C ATOM 123 C VAL A 11 -4.151 -6.336 -1.875 1.00 0.00 C ATOM 124 O VAL A 11 -4.843 -5.893 -2.791 1.00 0.00 O ATOM 125 CB VAL A 11 -3.919 -8.621 -2.987 1.00 0.00 C ATOM 126 CG1 VAL A 11 -2.940 -7.950 -3.953 1.00 0.00 C ATOM 127 CG2 VAL A 11 -3.531 -10.080 -2.739 1.00 0.00 C ATOM 0 H VAL A 11 -5.927 -8.651 -1.428 1.00 0.00 H new ATOM 0 HA VAL A 11 -3.068 -8.016 -1.145 1.00 0.00 H new ATOM 0 HB VAL A 11 -4.906 -8.611 -3.449 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -2.895 -8.521 -4.881 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -3.277 -6.936 -4.167 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -1.949 -7.915 -3.501 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -3.475 -10.608 -3.691 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -2.561 -10.119 -2.244 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -4.281 -10.553 -2.105 1.00 0.00 H new ATOM 137 N VAL A 12 -3.487 -5.588 -1.006 1.00 0.00 N ATOM 138 CA VAL A 12 -3.532 -4.138 -1.080 1.00 0.00 C ATOM 139 C VAL A 12 -2.522 -3.652 -2.122 1.00 0.00 C ATOM 140 O VAL A 12 -1.349 -4.020 -2.073 1.00 0.00 O ATOM 141 CB VAL A 12 -3.296 -3.536 0.307 1.00 0.00 C ATOM 142 CG1 VAL A 12 -3.369 -2.008 0.262 1.00 0.00 C ATOM 143 CG2 VAL A 12 -4.286 -4.103 1.326 1.00 0.00 C ATOM 0 H VAL A 12 -2.915 -5.959 -0.247 1.00 0.00 H new ATOM 0 HA VAL A 12 -4.518 -3.803 -1.402 1.00 0.00 H new ATOM 0 HB VAL A 12 -2.291 -3.813 0.626 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -3.198 -1.606 1.261 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -2.607 -1.627 -0.418 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -4.354 -1.701 -0.089 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -4.097 -3.659 2.303 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -5.304 -3.870 1.013 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -4.164 -5.184 1.389 1.00 0.00 H new ATOM 153 N LYS A 13 -3.014 -2.833 -3.040 1.00 0.00 N ATOM 154 CA LYS A 13 -2.169 -2.294 -4.092 1.00 0.00 C ATOM 155 C LYS A 13 -1.693 -0.896 -3.691 1.00 0.00 C ATOM 156 O LYS A 13 -2.473 0.055 -3.699 1.00 0.00 O ATOM 157 CB LYS A 13 -2.897 -2.334 -5.437 1.00 0.00 C ATOM 158 CG LYS A 13 -2.916 -3.754 -6.008 1.00 0.00 C ATOM 159 CD LYS A 13 -1.777 -3.958 -7.008 1.00 0.00 C ATOM 160 CE LYS A 13 -2.283 -3.839 -8.447 1.00 0.00 C ATOM 161 NZ LYS A 13 -1.499 -4.716 -9.346 1.00 0.00 N ATOM 0 H LYS A 13 -3.987 -2.530 -3.077 1.00 0.00 H new ATOM 0 HA LYS A 13 -1.279 -2.910 -4.220 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -3.918 -1.974 -5.313 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -2.406 -1.662 -6.141 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -2.827 -4.477 -5.197 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -3.872 -3.940 -6.497 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -0.996 -3.218 -6.831 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -1.327 -4.939 -6.857 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -3.337 -4.112 -8.492 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -2.207 -2.804 -8.781 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -1.855 -4.623 -10.319 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -0.497 -4.437 -9.316 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -1.593 -5.704 -9.036 1.00 0.00 H new ATOM 175 N VAL A 14 -0.416 -0.816 -3.350 1.00 0.00 N ATOM 176 CA VAL A 14 0.173 0.450 -2.948 1.00 0.00 C ATOM 177 C VAL A 14 1.028 0.997 -4.093 1.00 0.00 C ATOM 178 O VAL A 14 1.825 0.268 -4.681 1.00 0.00 O ATOM 179 CB VAL A 14 0.960 0.271 -1.648 1.00 0.00 C ATOM 180 CG1 VAL A 14 1.896 1.457 -1.405 1.00 0.00 C ATOM 181 CG2 VAL A 14 0.017 0.065 -0.460 1.00 0.00 C ATOM 0 H VAL A 14 0.228 -1.607 -3.344 1.00 0.00 H new ATOM 0 HA VAL A 14 -0.605 1.185 -2.744 1.00 0.00 H new ATOM 0 HB VAL A 14 1.573 -0.624 -1.749 1.00 0.00 H new ATOM 0 HG11 VAL A 14 2.443 1.304 -0.475 1.00 0.00 H new ATOM 0 HG12 VAL A 14 2.602 1.539 -2.232 1.00 0.00 H new ATOM 0 HG13 VAL A 14 1.311 2.374 -1.335 1.00 0.00 H new ATOM 0 HG21 VAL A 14 0.602 -0.060 0.451 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -0.634 0.933 -0.357 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -0.589 -0.825 -0.627 1.00 0.00 H new ATOM 191 N TYR A 15 0.833 2.277 -4.375 1.00 0.00 N ATOM 192 CA TYR A 15 1.575 2.931 -5.439 1.00 0.00 C ATOM 193 C TYR A 15 2.534 3.981 -4.874 1.00 0.00 C ATOM 194 O TYR A 15 2.176 4.728 -3.965 1.00 0.00 O ATOM 195 CB TYR A 15 0.532 3.628 -6.315 1.00 0.00 C ATOM 196 CG TYR A 15 -0.483 2.676 -6.951 1.00 0.00 C ATOM 197 CD1 TYR A 15 -1.569 2.238 -6.221 1.00 0.00 C ATOM 198 CD2 TYR A 15 -0.312 2.256 -8.254 1.00 0.00 C ATOM 199 CE1 TYR A 15 -2.525 1.343 -6.820 1.00 0.00 C ATOM 200 CE2 TYR A 15 -1.267 1.360 -8.853 1.00 0.00 C ATOM 201 CZ TYR A 15 -2.327 0.948 -8.106 1.00 0.00 C ATOM 202 OH TYR A 15 -3.229 0.102 -8.672 1.00 0.00 O ATOM 0 H TYR A 15 0.171 2.879 -3.885 1.00 0.00 H new ATOM 0 HA TYR A 15 2.169 2.205 -5.994 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -0.002 4.362 -5.712 1.00 0.00 H new ATOM 0 HB3 TYR A 15 1.044 4.177 -7.105 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -1.702 2.566 -5.201 1.00 0.00 H new ATOM 0 HD2 TYR A 15 0.538 2.599 -8.825 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -3.380 0.993 -6.260 1.00 0.00 H new ATOM 0 HE2 TYR A 15 -1.145 1.023 -9.872 1.00 0.00 H new ATOM 0 HH TYR A 15 -2.960 -0.094 -9.594 1.00 0.00 H new ATOM 212 N SER A 16 3.733 4.004 -5.436 1.00 0.00 N ATOM 213 CA SER A 16 4.746 4.950 -5.000 1.00 0.00 C ATOM 214 C SER A 16 4.641 6.242 -5.813 1.00 0.00 C ATOM 215 O SER A 16 4.400 6.202 -7.019 1.00 0.00 O ATOM 216 CB SER A 16 6.149 4.354 -5.129 1.00 0.00 C ATOM 217 OG SER A 16 7.002 4.759 -4.062 1.00 0.00 O ATOM 0 H SER A 16 4.026 3.383 -6.190 1.00 0.00 H new ATOM 0 HA SER A 16 4.572 5.176 -3.948 1.00 0.00 H new ATOM 0 HB2 SER A 16 6.081 3.266 -5.145 1.00 0.00 H new ATOM 0 HB3 SER A 16 6.587 4.660 -6.079 1.00 0.00 H new ATOM 0 HG SER A 16 7.887 4.356 -4.180 1.00 0.00 H new ATOM 223 N GLU A 17 4.827 7.356 -5.121 1.00 0.00 N ATOM 224 CA GLU A 17 4.756 8.657 -5.764 1.00 0.00 C ATOM 225 C GLU A 17 5.514 8.635 -7.093 1.00 0.00 C ATOM 226 O GLU A 17 5.042 9.176 -8.091 1.00 0.00 O ATOM 227 CB GLU A 17 5.294 9.754 -4.844 1.00 0.00 C ATOM 228 CG GLU A 17 4.161 10.413 -4.054 1.00 0.00 C ATOM 229 CD GLU A 17 4.562 11.812 -3.584 1.00 0.00 C ATOM 230 OE1 GLU A 17 5.390 11.882 -2.649 1.00 0.00 O ATOM 231 OE2 GLU A 17 4.033 12.781 -4.169 1.00 0.00 O ATOM 0 H GLU A 17 5.027 7.385 -4.121 1.00 0.00 H new ATOM 0 HA GLU A 17 3.709 8.882 -5.969 1.00 0.00 H new ATOM 0 HB2 GLU A 17 6.024 9.330 -4.154 1.00 0.00 H new ATOM 0 HB3 GLU A 17 5.815 10.507 -5.436 1.00 0.00 H new ATOM 0 HG2 GLU A 17 3.268 10.477 -4.676 1.00 0.00 H new ATOM 0 HG3 GLU A 17 3.906 9.795 -3.193 1.00 0.00 H new ATOM 238 N ASP A 18 6.678 8.002 -7.062 1.00 0.00 N ATOM 239 CA ASP A 18 7.507 7.902 -8.252 1.00 0.00 C ATOM 240 C ASP A 18 6.688 7.286 -9.388 1.00 0.00 C ATOM 241 O ASP A 18 6.776 7.729 -10.532 1.00 0.00 O ATOM 242 CB ASP A 18 8.721 7.004 -8.003 1.00 0.00 C ATOM 243 CG ASP A 18 10.057 7.740 -7.890 1.00 0.00 C ATOM 244 OD1 ASP A 18 10.224 8.731 -8.635 1.00 0.00 O ATOM 245 OD2 ASP A 18 10.882 7.296 -7.063 1.00 0.00 O ATOM 0 H ASP A 18 7.067 7.554 -6.232 1.00 0.00 H new ATOM 0 HA ASP A 18 7.847 8.904 -8.512 1.00 0.00 H new ATOM 0 HB2 ASP A 18 8.555 6.440 -7.085 1.00 0.00 H new ATOM 0 HB3 ASP A 18 8.790 6.279 -8.814 1.00 0.00 H new ATOM 250 N GLY A 19 5.910 6.274 -9.033 1.00 0.00 N ATOM 251 CA GLY A 19 5.076 5.593 -10.008 1.00 0.00 C ATOM 252 C GLY A 19 5.107 4.078 -9.794 1.00 0.00 C ATOM 253 O GLY A 19 4.151 3.380 -10.130 1.00 0.00 O ATOM 0 H GLY A 19 5.840 5.909 -8.083 1.00 0.00 H new ATOM 0 HA2 GLY A 19 4.050 5.954 -9.930 1.00 0.00 H new ATOM 0 HA3 GLY A 19 5.421 5.829 -11.015 1.00 0.00 H new ATOM 257 N ALA A 20 6.216 3.614 -9.237 1.00 0.00 N ATOM 258 CA ALA A 20 6.384 2.195 -8.973 1.00 0.00 C ATOM 259 C ALA A 20 5.180 1.681 -8.182 1.00 0.00 C ATOM 260 O ALA A 20 4.864 2.206 -7.115 1.00 0.00 O ATOM 261 CB ALA A 20 7.706 1.965 -8.238 1.00 0.00 C ATOM 0 H ALA A 20 7.007 4.196 -8.961 1.00 0.00 H new ATOM 0 HA ALA A 20 6.428 1.634 -9.907 1.00 0.00 H new ATOM 0 HB1 ALA A 20 7.832 0.901 -8.040 1.00 0.00 H new ATOM 0 HB2 ALA A 20 8.532 2.319 -8.855 1.00 0.00 H new ATOM 0 HB3 ALA A 20 7.698 2.511 -7.295 1.00 0.00 H new ATOM 267 N CYS A 21 4.541 0.661 -8.735 1.00 0.00 N ATOM 268 CA CYS A 21 3.378 0.070 -8.094 1.00 0.00 C ATOM 269 C CYS A 21 3.799 -1.260 -7.467 1.00 0.00 C ATOM 270 O CYS A 21 4.669 -1.951 -7.994 1.00 0.00 O ATOM 271 CB CYS A 21 2.218 -0.103 -9.076 1.00 0.00 C ATOM 272 SG CYS A 21 2.660 -1.335 -10.355 1.00 0.00 S ATOM 0 H CYS A 21 4.806 0.228 -9.620 1.00 0.00 H new ATOM 0 HA CYS A 21 3.011 0.737 -7.314 1.00 0.00 H new ATOM 0 HB2 CYS A 21 1.324 -0.425 -8.542 1.00 0.00 H new ATOM 0 HB3 CYS A 21 1.982 0.852 -9.545 1.00 0.00 H new ATOM 0 HG CYS A 21 3.681 -2.031 -9.952 1.00 0.00 H new ATOM 278 N ARG A 22 3.162 -1.580 -6.350 1.00 0.00 N ATOM 279 CA ARG A 22 3.460 -2.815 -5.645 1.00 0.00 C ATOM 280 C ARG A 22 2.337 -3.148 -4.660 1.00 0.00 C ATOM 281 O ARG A 22 1.742 -2.251 -4.066 1.00 0.00 O ATOM 282 CB ARG A 22 4.783 -2.710 -4.884 1.00 0.00 C ATOM 283 CG ARG A 22 4.703 -1.643 -3.791 1.00 0.00 C ATOM 284 CD ARG A 22 5.989 -0.816 -3.738 1.00 0.00 C ATOM 285 NE ARG A 22 5.694 0.548 -3.245 1.00 0.00 N ATOM 286 CZ ARG A 22 6.578 1.555 -3.246 1.00 0.00 C ATOM 287 NH1 ARG A 22 7.818 1.357 -3.712 1.00 0.00 N ATOM 288 NH2 ARG A 22 6.222 2.760 -2.779 1.00 0.00 N ATOM 0 H ARG A 22 2.440 -1.005 -5.916 1.00 0.00 H new ATOM 0 HA ARG A 22 3.544 -3.609 -6.387 1.00 0.00 H new ATOM 0 HB2 ARG A 22 5.028 -3.674 -4.439 1.00 0.00 H new ATOM 0 HB3 ARG A 22 5.587 -2.466 -5.578 1.00 0.00 H new ATOM 0 HG2 ARG A 22 3.852 -0.988 -3.979 1.00 0.00 H new ATOM 0 HG3 ARG A 22 4.532 -2.119 -2.825 1.00 0.00 H new ATOM 0 HD2 ARG A 22 6.715 -1.299 -3.084 1.00 0.00 H new ATOM 0 HD3 ARG A 22 6.439 -0.764 -4.730 1.00 0.00 H new ATOM 0 HE ARG A 22 4.759 0.733 -2.882 1.00 0.00 H new ATOM 0 HH11 ARG A 22 8.089 0.440 -4.066 1.00 0.00 H new ATOM 0 HH12 ARG A 22 8.491 2.124 -3.713 1.00 0.00 H new ATOM 0 HH21 ARG A 22 5.278 2.910 -2.423 1.00 0.00 H new ATOM 0 HH22 ARG A 22 6.895 3.526 -2.780 1.00 0.00 H new ATOM 302 N SER A 23 2.082 -4.440 -4.518 1.00 0.00 N ATOM 303 CA SER A 23 1.042 -4.903 -3.615 1.00 0.00 C ATOM 304 C SER A 23 1.646 -5.809 -2.541 1.00 0.00 C ATOM 305 O SER A 23 2.680 -6.437 -2.763 1.00 0.00 O ATOM 306 CB SER A 23 -0.059 -5.644 -4.377 1.00 0.00 C ATOM 307 OG SER A 23 0.471 -6.647 -5.239 1.00 0.00 O ATOM 0 H SER A 23 2.578 -5.181 -5.013 1.00 0.00 H new ATOM 0 HA SER A 23 0.593 -4.033 -3.136 1.00 0.00 H new ATOM 0 HB2 SER A 23 -0.746 -6.103 -3.666 1.00 0.00 H new ATOM 0 HB3 SER A 23 -0.637 -4.930 -4.964 1.00 0.00 H new ATOM 0 HG SER A 23 -0.263 -7.098 -5.706 1.00 0.00 H new ATOM 313 N VAL A 24 0.976 -5.848 -1.399 1.00 0.00 N ATOM 314 CA VAL A 24 1.434 -6.666 -0.289 1.00 0.00 C ATOM 315 C VAL A 24 0.287 -7.560 0.187 1.00 0.00 C ATOM 316 O VAL A 24 -0.872 -7.149 0.174 1.00 0.00 O ATOM 317 CB VAL A 24 1.998 -5.776 0.820 1.00 0.00 C ATOM 318 CG1 VAL A 24 3.375 -5.229 0.437 1.00 0.00 C ATOM 319 CG2 VAL A 24 1.031 -4.639 1.156 1.00 0.00 C ATOM 0 H VAL A 24 0.119 -5.326 -1.218 1.00 0.00 H new ATOM 0 HA VAL A 24 2.246 -7.320 -0.606 1.00 0.00 H new ATOM 0 HB VAL A 24 2.117 -6.389 1.713 1.00 0.00 H new ATOM 0 HG11 VAL A 24 3.753 -4.600 1.242 1.00 0.00 H new ATOM 0 HG12 VAL A 24 4.063 -6.058 0.271 1.00 0.00 H new ATOM 0 HG13 VAL A 24 3.291 -4.639 -0.476 1.00 0.00 H new ATOM 0 HG21 VAL A 24 1.456 -4.022 1.947 1.00 0.00 H new ATOM 0 HG22 VAL A 24 0.865 -4.028 0.269 1.00 0.00 H new ATOM 0 HG23 VAL A 24 0.082 -5.056 1.492 1.00 0.00 H new ATOM 329 N GLU A 25 0.651 -8.767 0.597 1.00 0.00 N ATOM 330 CA GLU A 25 -0.333 -9.722 1.076 1.00 0.00 C ATOM 331 C GLU A 25 -0.601 -9.505 2.567 1.00 0.00 C ATOM 332 O GLU A 25 0.227 -9.854 3.407 1.00 0.00 O ATOM 333 CB GLU A 25 0.119 -11.158 0.804 1.00 0.00 C ATOM 334 CG GLU A 25 -0.816 -11.848 -0.192 1.00 0.00 C ATOM 335 CD GLU A 25 -0.800 -13.365 0.001 1.00 0.00 C ATOM 336 OE1 GLU A 25 -1.500 -13.827 0.928 1.00 0.00 O ATOM 337 OE2 GLU A 25 -0.088 -14.029 -0.783 1.00 0.00 O ATOM 0 H GLU A 25 1.613 -9.105 0.607 1.00 0.00 H new ATOM 0 HA GLU A 25 -1.263 -9.559 0.532 1.00 0.00 H new ATOM 0 HB2 GLU A 25 1.136 -11.155 0.411 1.00 0.00 H new ATOM 0 HB3 GLU A 25 0.140 -11.720 1.738 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -1.831 -11.472 -0.063 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -0.512 -11.604 -1.210 1.00 0.00 H new ATOM 344 N VAL A 26 -1.761 -8.931 2.850 1.00 0.00 N ATOM 345 CA VAL A 26 -2.148 -8.663 4.224 1.00 0.00 C ATOM 346 C VAL A 26 -3.537 -9.251 4.482 1.00 0.00 C ATOM 347 O VAL A 26 -4.256 -9.588 3.543 1.00 0.00 O ATOM 348 CB VAL A 26 -2.073 -7.161 4.507 1.00 0.00 C ATOM 349 CG1 VAL A 26 -0.643 -6.643 4.339 1.00 0.00 C ATOM 350 CG2 VAL A 26 -3.045 -6.386 3.615 1.00 0.00 C ATOM 0 H VAL A 26 -2.446 -8.644 2.150 1.00 0.00 H new ATOM 0 HA VAL A 26 -1.457 -9.145 4.916 1.00 0.00 H new ATOM 0 HB VAL A 26 -2.369 -7.000 5.544 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -0.617 -5.573 4.546 1.00 0.00 H new ATOM 0 HG12 VAL A 26 0.016 -7.163 5.034 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -0.308 -6.823 3.317 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -2.972 -5.321 3.836 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -2.794 -6.557 2.568 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -4.063 -6.727 3.804 1.00 0.00 H new ATOM 360 N ALA A 27 -3.873 -9.355 5.759 1.00 0.00 N ATOM 361 CA ALA A 27 -5.163 -9.896 6.152 1.00 0.00 C ATOM 362 C ALA A 27 -5.904 -8.867 7.009 1.00 0.00 C ATOM 363 O ALA A 27 -5.351 -7.820 7.344 1.00 0.00 O ATOM 364 CB ALA A 27 -4.959 -11.224 6.883 1.00 0.00 C ATOM 0 H ALA A 27 -3.274 -9.074 6.535 1.00 0.00 H new ATOM 0 HA ALA A 27 -5.777 -10.098 5.274 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -5.927 -11.630 7.178 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -4.456 -11.930 6.222 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -4.349 -11.060 7.771 1.00 0.00 H new ATOM 370 N ALA A 28 -7.143 -9.200 7.338 1.00 0.00 N ATOM 371 CA ALA A 28 -7.965 -8.318 8.149 1.00 0.00 C ATOM 372 C ALA A 28 -7.321 -8.152 9.527 1.00 0.00 C ATOM 373 O ALA A 28 -7.707 -8.824 10.482 1.00 0.00 O ATOM 374 CB ALA A 28 -9.386 -8.878 8.233 1.00 0.00 C ATOM 0 H ALA A 28 -7.598 -10.069 7.058 1.00 0.00 H new ATOM 0 HA ALA A 28 -8.031 -7.329 7.695 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -10.002 -8.216 8.841 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -9.809 -8.949 7.231 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -9.360 -9.869 8.687 1.00 0.00 H new ATOM 380 N GLY A 29 -6.349 -7.253 9.587 1.00 0.00 N ATOM 381 CA GLY A 29 -5.648 -6.990 10.832 1.00 0.00 C ATOM 382 C GLY A 29 -4.536 -5.959 10.628 1.00 0.00 C ATOM 383 O GLY A 29 -4.456 -4.975 11.361 1.00 0.00 O ATOM 0 H GLY A 29 -6.031 -6.698 8.793 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -6.352 -6.627 11.580 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -5.223 -7.917 11.217 1.00 0.00 H new ATOM 387 N ALA A 30 -3.707 -6.220 9.628 1.00 0.00 N ATOM 388 CA ALA A 30 -2.603 -5.327 9.319 1.00 0.00 C ATOM 389 C ALA A 30 -3.116 -3.887 9.271 1.00 0.00 C ATOM 390 O ALA A 30 -4.238 -3.638 8.830 1.00 0.00 O ATOM 391 CB ALA A 30 -1.951 -5.758 8.004 1.00 0.00 C ATOM 0 H ALA A 30 -3.778 -7.037 9.021 1.00 0.00 H new ATOM 0 HA ALA A 30 -1.839 -5.379 10.094 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -1.123 -5.088 7.772 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -1.577 -6.777 8.100 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -2.688 -5.716 7.202 1.00 0.00 H new ATOM 397 N THR A 31 -2.271 -2.976 9.729 1.00 0.00 N ATOM 398 CA THR A 31 -2.625 -1.566 9.744 1.00 0.00 C ATOM 399 C THR A 31 -1.838 -0.808 8.674 1.00 0.00 C ATOM 400 O THR A 31 -1.062 -1.404 7.929 1.00 0.00 O ATOM 401 CB THR A 31 -2.393 -1.035 11.160 1.00 0.00 C ATOM 402 OG1 THR A 31 -1.013 -1.292 11.405 1.00 0.00 O ATOM 403 CG2 THR A 31 -3.120 -1.862 12.222 1.00 0.00 C ATOM 0 H THR A 31 -1.342 -3.186 10.093 1.00 0.00 H new ATOM 0 HA THR A 31 -3.676 -1.419 9.495 1.00 0.00 H new ATOM 0 HB THR A 31 -2.725 0.002 11.218 1.00 0.00 H new ATOM 0 HG1 THR A 31 -0.776 -0.977 12.302 1.00 0.00 H new ATOM 0 HG21 THR A 31 -2.922 -1.443 13.208 1.00 0.00 H new ATOM 0 HG22 THR A 31 -4.192 -1.842 12.028 1.00 0.00 H new ATOM 0 HG23 THR A 31 -2.764 -2.892 12.188 1.00 0.00 H new ATOM 411 N ALA A 32 -2.067 0.497 8.630 1.00 0.00 N ATOM 412 CA ALA A 32 -1.389 1.343 7.663 1.00 0.00 C ATOM 413 C ALA A 32 0.124 1.196 7.834 1.00 0.00 C ATOM 414 O ALA A 32 0.873 1.278 6.863 1.00 0.00 O ATOM 415 CB ALA A 32 -1.857 2.790 7.834 1.00 0.00 C ATOM 0 H ALA A 32 -2.712 0.988 9.248 1.00 0.00 H new ATOM 0 HA ALA A 32 -1.637 1.038 6.646 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -1.348 3.425 7.109 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -2.934 2.846 7.673 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -1.623 3.131 8.842 1.00 0.00 H new ATOM 421 N ARG A 33 0.528 0.981 9.078 1.00 0.00 N ATOM 422 CA ARG A 33 1.938 0.821 9.389 1.00 0.00 C ATOM 423 C ARG A 33 2.465 -0.493 8.809 1.00 0.00 C ATOM 424 O ARG A 33 3.527 -0.520 8.189 1.00 0.00 O ATOM 425 CB ARG A 33 2.173 0.833 10.901 1.00 0.00 C ATOM 426 CG ARG A 33 3.460 0.089 11.262 1.00 0.00 C ATOM 427 CD ARG A 33 4.679 0.762 10.628 1.00 0.00 C ATOM 428 NE ARG A 33 5.835 0.687 11.548 1.00 0.00 N ATOM 429 CZ ARG A 33 6.912 1.481 11.470 1.00 0.00 C ATOM 430 NH1 ARG A 33 6.986 2.416 10.513 1.00 0.00 N ATOM 431 NH2 ARG A 33 7.914 1.341 12.348 1.00 0.00 N ATOM 0 H ARG A 33 -0.097 0.914 9.882 1.00 0.00 H new ATOM 0 HA ARG A 33 2.473 1.659 8.942 1.00 0.00 H new ATOM 0 HB2 ARG A 33 2.232 1.862 11.255 1.00 0.00 H new ATOM 0 HB3 ARG A 33 1.327 0.370 11.408 1.00 0.00 H new ATOM 0 HG2 ARG A 33 3.577 0.063 12.345 1.00 0.00 H new ATOM 0 HG3 ARG A 33 3.394 -0.945 10.923 1.00 0.00 H new ATOM 0 HD2 ARG A 33 4.923 0.275 9.684 1.00 0.00 H new ATOM 0 HD3 ARG A 33 4.452 1.804 10.400 1.00 0.00 H new ATOM 0 HE ARG A 33 5.811 -0.014 12.289 1.00 0.00 H new ATOM 0 HH11 ARG A 33 6.223 2.523 9.845 1.00 0.00 H new ATOM 0 HH12 ARG A 33 7.805 3.021 10.453 1.00 0.00 H new ATOM 0 HH21 ARG A 33 7.858 0.630 13.077 1.00 0.00 H new ATOM 0 HH22 ARG A 33 8.733 1.946 12.288 1.00 0.00 H new ATOM 445 N HIS A 34 1.698 -1.550 9.030 1.00 0.00 N ATOM 446 CA HIS A 34 2.073 -2.864 8.537 1.00 0.00 C ATOM 447 C HIS A 34 2.541 -2.752 7.084 1.00 0.00 C ATOM 448 O HIS A 34 3.679 -3.092 6.767 1.00 0.00 O ATOM 449 CB HIS A 34 0.926 -3.860 8.715 1.00 0.00 C ATOM 450 CG HIS A 34 0.997 -4.656 9.997 1.00 0.00 C ATOM 451 ND1 HIS A 34 0.703 -4.112 11.235 1.00 0.00 N ATOM 452 CD2 HIS A 34 1.332 -5.960 10.219 1.00 0.00 C ATOM 453 CE1 HIS A 34 0.857 -5.054 12.153 1.00 0.00 C ATOM 454 NE2 HIS A 34 1.247 -6.198 11.522 1.00 0.00 N ATOM 0 H HIS A 34 0.818 -1.523 9.544 1.00 0.00 H new ATOM 0 HA HIS A 34 2.907 -3.252 9.123 1.00 0.00 H new ATOM 0 HB2 HIS A 34 -0.019 -3.318 8.688 1.00 0.00 H new ATOM 0 HB3 HIS A 34 0.923 -4.550 7.871 1.00 0.00 H new ATOM 0 HD1 HIS A 34 0.416 -3.149 11.411 1.00 0.00 H new ATOM 0 HD2 HIS A 34 1.618 -6.677 9.463 1.00 0.00 H new ATOM 0 HE1 HIS A 34 0.701 -4.937 13.215 1.00 0.00 H new ATOM 462 N VAL A 35 1.637 -2.275 6.241 1.00 0.00 N ATOM 463 CA VAL A 35 1.943 -2.114 4.829 1.00 0.00 C ATOM 464 C VAL A 35 3.322 -1.468 4.680 1.00 0.00 C ATOM 465 O VAL A 35 4.243 -2.081 4.144 1.00 0.00 O ATOM 466 CB VAL A 35 0.832 -1.318 4.141 1.00 0.00 C ATOM 467 CG1 VAL A 35 1.283 -0.827 2.764 1.00 0.00 C ATOM 468 CG2 VAL A 35 -0.451 -2.145 4.035 1.00 0.00 C ATOM 0 H VAL A 35 0.693 -1.995 6.508 1.00 0.00 H new ATOM 0 HA VAL A 35 1.984 -3.084 4.334 1.00 0.00 H new ATOM 0 HB VAL A 35 0.616 -0.444 4.755 1.00 0.00 H new ATOM 0 HG11 VAL A 35 0.475 -0.264 2.296 1.00 0.00 H new ATOM 0 HG12 VAL A 35 2.156 -0.184 2.875 1.00 0.00 H new ATOM 0 HG13 VAL A 35 1.539 -1.682 2.139 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -1.224 -1.556 3.542 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -0.256 -3.046 3.454 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -0.788 -2.423 5.034 1.00 0.00 H new ATOM 478 N CYS A 36 3.419 -0.239 5.165 1.00 0.00 N ATOM 479 CA CYS A 36 4.670 0.497 5.093 1.00 0.00 C ATOM 480 C CYS A 36 5.813 -0.464 5.428 1.00 0.00 C ATOM 481 O CYS A 36 6.633 -0.783 4.568 1.00 0.00 O ATOM 482 CB CYS A 36 4.662 1.717 6.015 1.00 0.00 C ATOM 483 SG CYS A 36 6.337 2.452 6.095 1.00 0.00 S ATOM 0 H CYS A 36 2.652 0.266 5.609 1.00 0.00 H new ATOM 0 HA CYS A 36 4.808 0.887 4.084 1.00 0.00 H new ATOM 0 HB2 CYS A 36 3.949 2.455 5.649 1.00 0.00 H new ATOM 0 HB3 CYS A 36 4.335 1.426 7.013 1.00 0.00 H new ATOM 0 HG CYS A 36 6.708 2.817 4.904 1.00 0.00 H new ATOM 489 N GLU A 37 5.830 -0.899 6.679 1.00 0.00 N ATOM 490 CA GLU A 37 6.858 -1.818 7.138 1.00 0.00 C ATOM 491 C GLU A 37 7.027 -2.967 6.142 1.00 0.00 C ATOM 492 O GLU A 37 8.149 -3.330 5.793 1.00 0.00 O ATOM 493 CB GLU A 37 6.536 -2.347 8.537 1.00 0.00 C ATOM 494 CG GLU A 37 6.971 -1.351 9.614 1.00 0.00 C ATOM 495 CD GLU A 37 8.457 -1.513 9.942 1.00 0.00 C ATOM 496 OE1 GLU A 37 9.274 -1.086 9.099 1.00 0.00 O ATOM 497 OE2 GLU A 37 8.741 -2.061 11.029 1.00 0.00 O ATOM 0 H GLU A 37 5.148 -0.632 7.389 1.00 0.00 H new ATOM 0 HA GLU A 37 7.801 -1.275 7.199 1.00 0.00 H new ATOM 0 HB2 GLU A 37 5.466 -2.534 8.621 1.00 0.00 H new ATOM 0 HB3 GLU A 37 7.040 -3.301 8.694 1.00 0.00 H new ATOM 0 HG2 GLU A 37 6.779 -0.334 9.273 1.00 0.00 H new ATOM 0 HG3 GLU A 37 6.377 -1.502 10.515 1.00 0.00 H new ATOM 504 N MET A 38 5.895 -3.506 5.713 1.00 0.00 N ATOM 505 CA MET A 38 5.904 -4.607 4.764 1.00 0.00 C ATOM 506 C MET A 38 6.438 -4.154 3.404 1.00 0.00 C ATOM 507 O MET A 38 6.839 -4.979 2.585 1.00 0.00 O ATOM 508 CB MET A 38 4.483 -5.150 4.600 1.00 0.00 C ATOM 509 CG MET A 38 3.988 -5.793 5.898 1.00 0.00 C ATOM 510 SD MET A 38 3.589 -7.510 5.615 1.00 0.00 S ATOM 511 CE MET A 38 2.443 -7.342 4.256 1.00 0.00 C ATOM 0 H MET A 38 4.966 -3.201 6.005 1.00 0.00 H new ATOM 0 HA MET A 38 6.559 -5.389 5.148 1.00 0.00 H new ATOM 0 HB2 MET A 38 3.812 -4.341 4.312 1.00 0.00 H new ATOM 0 HB3 MET A 38 4.461 -5.884 3.795 1.00 0.00 H new ATOM 0 HG2 MET A 38 4.754 -5.711 6.669 1.00 0.00 H new ATOM 0 HG3 MET A 38 3.109 -5.262 6.264 1.00 0.00 H new ATOM 0 HE1 MET A 38 1.677 -8.114 4.329 1.00 0.00 H new ATOM 0 HE2 MET A 38 1.973 -6.359 4.296 1.00 0.00 H new ATOM 0 HE3 MET A 38 2.979 -7.450 3.313 1.00 0.00 H new ATOM 521 N LEU A 39 6.425 -2.844 3.205 1.00 0.00 N ATOM 522 CA LEU A 39 6.903 -2.271 1.958 1.00 0.00 C ATOM 523 C LEU A 39 8.377 -1.892 2.108 1.00 0.00 C ATOM 524 O LEU A 39 9.228 -2.388 1.371 1.00 0.00 O ATOM 525 CB LEU A 39 6.009 -1.107 1.527 1.00 0.00 C ATOM 526 CG LEU A 39 4.579 -1.472 1.125 1.00 0.00 C ATOM 527 CD1 LEU A 39 3.740 -0.215 0.883 1.00 0.00 C ATOM 528 CD2 LEU A 39 4.571 -2.409 -0.084 1.00 0.00 C ATOM 0 H LEU A 39 6.091 -2.163 3.887 1.00 0.00 H new ATOM 0 HA LEU A 39 6.843 -3.004 1.154 1.00 0.00 H new ATOM 0 HB2 LEU A 39 5.963 -0.388 2.345 1.00 0.00 H new ATOM 0 HB3 LEU A 39 6.484 -0.602 0.686 1.00 0.00 H new ATOM 0 HG LEU A 39 4.119 -2.012 1.952 1.00 0.00 H new ATOM 0 HD11 LEU A 39 2.728 -0.502 0.599 1.00 0.00 H new ATOM 0 HD12 LEU A 39 3.705 0.381 1.795 1.00 0.00 H new ATOM 0 HD13 LEU A 39 4.189 0.373 0.083 1.00 0.00 H new ATOM 0 HD21 LEU A 39 3.542 -2.653 -0.349 1.00 0.00 H new ATOM 0 HD22 LEU A 39 5.056 -1.918 -0.928 1.00 0.00 H new ATOM 0 HD23 LEU A 39 5.109 -3.325 0.162 1.00 0.00 H new ATOM 540 N VAL A 40 8.636 -1.016 3.068 1.00 0.00 N ATOM 541 CA VAL A 40 9.993 -0.565 3.324 1.00 0.00 C ATOM 542 C VAL A 40 10.927 -1.775 3.378 1.00 0.00 C ATOM 543 O VAL A 40 12.064 -1.708 2.914 1.00 0.00 O ATOM 544 CB VAL A 40 10.032 0.277 4.601 1.00 0.00 C ATOM 545 CG1 VAL A 40 9.529 1.698 4.337 1.00 0.00 C ATOM 546 CG2 VAL A 40 9.231 -0.388 5.722 1.00 0.00 C ATOM 0 H VAL A 40 7.928 -0.607 3.678 1.00 0.00 H new ATOM 0 HA VAL A 40 10.340 0.078 2.515 1.00 0.00 H new ATOM 0 HB VAL A 40 11.070 0.344 4.926 1.00 0.00 H new ATOM 0 HG11 VAL A 40 9.567 2.275 5.261 1.00 0.00 H new ATOM 0 HG12 VAL A 40 10.160 2.174 3.586 1.00 0.00 H new ATOM 0 HG13 VAL A 40 8.501 1.659 3.976 1.00 0.00 H new ATOM 0 HG21 VAL A 40 9.276 0.231 6.618 1.00 0.00 H new ATOM 0 HG22 VAL A 40 8.193 -0.501 5.410 1.00 0.00 H new ATOM 0 HG23 VAL A 40 9.653 -1.369 5.938 1.00 0.00 H new ATOM 705 N TRP A 51 7.413 7.173 7.725 1.00 0.00 N ATOM 706 CA TRP A 51 6.706 6.759 6.525 1.00 0.00 C ATOM 707 C TRP A 51 5.255 6.463 6.910 1.00 0.00 C ATOM 708 O TRP A 51 4.952 6.246 8.082 1.00 0.00 O ATOM 709 CB TRP A 51 7.403 5.569 5.862 1.00 0.00 C ATOM 710 CG TRP A 51 8.628 5.951 5.028 1.00 0.00 C ATOM 711 CD1 TRP A 51 9.889 6.126 5.447 1.00 0.00 C ATOM 712 CD2 TRP A 51 8.657 6.199 3.607 1.00 0.00 C ATOM 713 NE1 TRP A 51 10.725 6.467 4.404 1.00 0.00 N ATOM 714 CE2 TRP A 51 9.953 6.513 3.250 1.00 0.00 C ATOM 715 CE3 TRP A 51 7.624 6.160 2.655 1.00 0.00 C ATOM 716 CZ2 TRP A 51 10.334 6.812 1.936 1.00 0.00 C ATOM 717 CZ3 TRP A 51 8.021 6.461 1.347 1.00 0.00 C ATOM 718 CH2 TRP A 51 9.321 6.779 0.971 1.00 0.00 C ATOM 0 HA TRP A 51 6.713 7.554 5.779 1.00 0.00 H new ATOM 0 HB2 TRP A 51 7.708 4.863 6.635 1.00 0.00 H new ATOM 0 HB3 TRP A 51 6.688 5.052 5.222 1.00 0.00 H new ATOM 0 HD1 TRP A 51 10.210 6.014 6.472 1.00 0.00 H new ATOM 0 HE1 TRP A 51 11.726 6.651 4.468 1.00 0.00 H new ATOM 0 HE3 TRP A 51 6.604 5.917 2.912 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 11.355 7.055 1.681 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 7.265 6.445 0.576 1.00 0.00 H new ATOM 0 HH2 TRP A 51 9.548 7.000 -0.062 1.00 0.00 H new ATOM 729 N GLY A 52 4.397 6.464 5.901 1.00 0.00 N ATOM 730 CA GLY A 52 2.985 6.199 6.118 1.00 0.00 C ATOM 731 C GLY A 52 2.271 5.912 4.796 1.00 0.00 C ATOM 732 O GLY A 52 2.916 5.724 3.766 1.00 0.00 O ATOM 0 H GLY A 52 4.653 6.644 4.930 1.00 0.00 H new ATOM 0 HA2 GLY A 52 2.870 5.348 6.790 1.00 0.00 H new ATOM 0 HA3 GLY A 52 2.522 7.056 6.607 1.00 0.00 H new ATOM 736 N LEU A 53 0.948 5.886 4.868 1.00 0.00 N ATOM 737 CA LEU A 53 0.139 5.624 3.690 1.00 0.00 C ATOM 738 C LEU A 53 -0.668 6.877 3.343 1.00 0.00 C ATOM 739 O LEU A 53 -1.005 7.666 4.224 1.00 0.00 O ATOM 740 CB LEU A 53 -0.720 4.376 3.896 1.00 0.00 C ATOM 741 CG LEU A 53 -0.200 3.089 3.252 1.00 0.00 C ATOM 742 CD1 LEU A 53 -1.245 1.975 3.331 1.00 0.00 C ATOM 743 CD2 LEU A 53 0.259 3.343 1.814 1.00 0.00 C ATOM 0 H LEU A 53 0.416 6.042 5.724 1.00 0.00 H new ATOM 0 HA LEU A 53 0.775 5.406 2.832 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -0.826 4.205 4.967 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -1.717 4.577 3.505 1.00 0.00 H new ATOM 0 HG LEU A 53 0.671 2.753 3.814 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -0.850 1.072 2.866 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -1.482 1.772 4.375 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -2.149 2.286 2.808 1.00 0.00 H new ATOM 0 HD21 LEU A 53 0.624 2.413 1.379 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -0.579 3.715 1.225 1.00 0.00 H new ATOM 0 HD23 LEU A 53 1.060 4.083 1.813 1.00 0.00 H new ATOM 755 N VAL A 54 -0.956 7.019 2.057 1.00 0.00 N ATOM 756 CA VAL A 54 -1.718 8.162 1.583 1.00 0.00 C ATOM 757 C VAL A 54 -2.825 7.677 0.645 1.00 0.00 C ATOM 758 O VAL A 54 -2.545 7.134 -0.423 1.00 0.00 O ATOM 759 CB VAL A 54 -0.782 9.179 0.928 1.00 0.00 C ATOM 760 CG1 VAL A 54 -1.570 10.360 0.356 1.00 0.00 C ATOM 761 CG2 VAL A 54 0.284 9.659 1.915 1.00 0.00 C ATOM 0 H VAL A 54 -0.675 6.362 1.329 1.00 0.00 H new ATOM 0 HA VAL A 54 -2.199 8.673 2.417 1.00 0.00 H new ATOM 0 HB VAL A 54 -0.274 8.682 0.101 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -0.881 11.068 -0.104 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -2.274 9.999 -0.394 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -2.117 10.855 1.158 1.00 0.00 H new ATOM 0 HG21 VAL A 54 0.936 10.381 1.424 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -0.199 10.130 2.771 1.00 0.00 H new ATOM 0 HG23 VAL A 54 0.875 8.808 2.254 1.00 0.00 H new ATOM 771 N GLU A 55 -4.059 7.890 1.077 1.00 0.00 N ATOM 772 CA GLU A 55 -5.210 7.482 0.289 1.00 0.00 C ATOM 773 C GLU A 55 -5.505 8.520 -0.795 1.00 0.00 C ATOM 774 O GLU A 55 -5.745 9.688 -0.493 1.00 0.00 O ATOM 775 CB GLU A 55 -6.433 7.257 1.180 1.00 0.00 C ATOM 776 CG GLU A 55 -7.001 8.587 1.678 1.00 0.00 C ATOM 777 CD GLU A 55 -7.495 8.466 3.121 1.00 0.00 C ATOM 778 OE1 GLU A 55 -6.650 8.146 3.985 1.00 0.00 O ATOM 779 OE2 GLU A 55 -8.706 8.697 3.328 1.00 0.00 O ATOM 0 H GLU A 55 -4.287 8.340 1.963 1.00 0.00 H new ATOM 0 HA GLU A 55 -4.976 6.534 -0.196 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -7.198 6.716 0.623 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -6.158 6.634 2.031 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -6.235 9.360 1.616 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -7.823 8.900 1.034 1.00 0.00 H new ATOM 786 N CYS A 56 -5.478 8.057 -2.036 1.00 0.00 N ATOM 787 CA CYS A 56 -5.741 8.930 -3.167 1.00 0.00 C ATOM 788 C CYS A 56 -7.151 8.638 -3.683 1.00 0.00 C ATOM 789 O CYS A 56 -7.603 7.494 -3.650 1.00 0.00 O ATOM 790 CB CYS A 56 -4.686 8.768 -4.264 1.00 0.00 C ATOM 791 SG CYS A 56 -3.438 10.100 -4.135 1.00 0.00 S ATOM 0 H CYS A 56 -5.278 7.088 -2.283 1.00 0.00 H new ATOM 0 HA CYS A 56 -5.681 9.970 -2.848 1.00 0.00 H new ATOM 0 HB2 CYS A 56 -4.202 7.795 -4.174 1.00 0.00 H new ATOM 0 HB3 CYS A 56 -5.162 8.798 -5.244 1.00 0.00 H new ATOM 0 HG CYS A 56 -3.458 10.599 -2.935 1.00 0.00 H new ATOM 797 N HIS A 57 -7.807 9.691 -4.148 1.00 0.00 N ATOM 798 CA HIS A 57 -9.156 9.562 -4.670 1.00 0.00 C ATOM 799 C HIS A 57 -9.154 9.843 -6.174 1.00 0.00 C ATOM 800 O HIS A 57 -9.251 10.995 -6.594 1.00 0.00 O ATOM 801 CB HIS A 57 -10.126 10.461 -3.900 1.00 0.00 C ATOM 802 CG HIS A 57 -10.368 10.024 -2.475 1.00 0.00 C ATOM 803 ND1 HIS A 57 -10.571 8.701 -2.121 1.00 0.00 N ATOM 804 CD2 HIS A 57 -10.438 10.747 -1.321 1.00 0.00 C ATOM 805 CE1 HIS A 57 -10.754 8.643 -0.810 1.00 0.00 C ATOM 806 NE2 HIS A 57 -10.672 9.912 -0.316 1.00 0.00 N ATOM 0 H HIS A 57 -7.429 10.638 -4.174 1.00 0.00 H new ATOM 0 HA HIS A 57 -9.508 8.540 -4.527 1.00 0.00 H new ATOM 0 HB2 HIS A 57 -9.736 11.479 -3.896 1.00 0.00 H new ATOM 0 HB3 HIS A 57 -11.079 10.486 -4.428 1.00 0.00 H new ATOM 0 HD2 HIS A 57 -10.323 11.818 -1.239 1.00 0.00 H new ATOM 0 HE1 HIS A 57 -10.936 7.748 -0.234 1.00 0.00 H new ATOM 0 HE2 HIS A 57 -10.774 10.176 0.664 1.00 0.00 H new ATOM 814 N PRO A 58 -9.039 8.743 -6.965 1.00 0.00 N ATOM 815 CA PRO A 58 -9.023 8.860 -8.413 1.00 0.00 C ATOM 816 C PRO A 58 -10.424 9.146 -8.956 1.00 0.00 C ATOM 817 O PRO A 58 -10.936 8.399 -9.788 1.00 0.00 O ATOM 818 CB PRO A 58 -8.452 7.541 -8.908 1.00 0.00 C ATOM 819 CG PRO A 58 -8.604 6.562 -7.755 1.00 0.00 C ATOM 820 CD PRO A 58 -8.922 7.363 -6.503 1.00 0.00 C ATOM 0 HA PRO A 58 -8.417 9.697 -8.760 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -8.987 7.191 -9.791 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -7.405 7.651 -9.192 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -9.400 5.847 -7.963 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -7.688 5.988 -7.618 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -9.847 7.021 -6.039 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -8.134 7.261 -5.757 1.00 0.00 H new ATOM 828 N HIS A 59 -11.006 10.230 -8.462 1.00 0.00 N ATOM 829 CA HIS A 59 -12.338 10.624 -8.887 1.00 0.00 C ATOM 830 C HIS A 59 -12.632 12.045 -8.402 1.00 0.00 C ATOM 831 O HIS A 59 -13.200 12.851 -9.138 1.00 0.00 O ATOM 832 CB HIS A 59 -13.381 9.609 -8.415 1.00 0.00 C ATOM 833 CG HIS A 59 -13.294 9.277 -6.945 1.00 0.00 C ATOM 834 ND1 HIS A 59 -12.126 8.843 -6.343 1.00 0.00 N ATOM 835 CD2 HIS A 59 -14.240 9.321 -5.964 1.00 0.00 C ATOM 836 CE1 HIS A 59 -12.370 8.637 -5.057 1.00 0.00 C ATOM 837 NE2 HIS A 59 -13.681 8.933 -4.824 1.00 0.00 N ATOM 0 H HIS A 59 -10.579 10.847 -7.771 1.00 0.00 H new ATOM 0 HA HIS A 59 -12.389 10.631 -9.976 1.00 0.00 H new ATOM 0 HB2 HIS A 59 -14.376 9.999 -8.631 1.00 0.00 H new ATOM 0 HB3 HIS A 59 -13.267 8.691 -8.992 1.00 0.00 H new ATOM 0 HD2 HIS A 59 -15.270 9.621 -6.093 1.00 0.00 H new ATOM 0 HE1 HIS A 59 -11.656 8.295 -4.322 1.00 0.00 H new ATOM 0 HE2 HIS A 59 -14.154 8.867 -3.923 1.00 0.00 H new ATOM 845 N LEU A 60 -12.232 12.309 -7.167 1.00 0.00 N ATOM 846 CA LEU A 60 -12.445 13.619 -6.576 1.00 0.00 C ATOM 847 C LEU A 60 -11.133 14.407 -6.604 1.00 0.00 C ATOM 848 O LEU A 60 -11.091 15.564 -6.189 1.00 0.00 O ATOM 849 CB LEU A 60 -13.050 13.483 -5.177 1.00 0.00 C ATOM 850 CG LEU A 60 -13.860 12.211 -4.917 1.00 0.00 C ATOM 851 CD1 LEU A 60 -14.426 12.202 -3.496 1.00 0.00 C ATOM 852 CD2 LEU A 60 -14.954 12.032 -5.972 1.00 0.00 C ATOM 0 H LEU A 60 -11.762 11.638 -6.559 1.00 0.00 H new ATOM 0 HA LEU A 60 -13.170 14.186 -7.159 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -12.242 13.531 -4.447 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -13.694 14.343 -4.996 1.00 0.00 H new ATOM 0 HG LEU A 60 -13.189 11.356 -5.001 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -14.997 11.287 -3.338 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -13.607 12.247 -2.778 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -15.077 13.065 -3.358 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -15.515 11.121 -5.764 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -15.629 12.887 -5.945 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -14.499 11.960 -6.960 1.00 0.00 H new ATOM 864 N ALA A 61 -10.095 13.748 -7.098 1.00 0.00 N ATOM 865 CA ALA A 61 -8.786 14.371 -7.185 1.00 0.00 C ATOM 866 C ALA A 61 -8.373 14.877 -5.802 1.00 0.00 C ATOM 867 O ALA A 61 -7.934 16.017 -5.659 1.00 0.00 O ATOM 868 CB ALA A 61 -8.822 15.490 -8.228 1.00 0.00 C ATOM 0 H ALA A 61 -10.134 12.789 -7.442 1.00 0.00 H new ATOM 0 HA ALA A 61 -8.038 13.647 -7.508 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -7.840 15.958 -8.294 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -9.091 15.074 -9.199 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -9.561 16.236 -7.936 1.00 0.00 H new ATOM 874 N LEU A 62 -8.528 14.005 -4.817 1.00 0.00 N ATOM 875 CA LEU A 62 -8.177 14.349 -3.450 1.00 0.00 C ATOM 876 C LEU A 62 -7.025 13.456 -2.984 1.00 0.00 C ATOM 877 O LEU A 62 -6.763 12.413 -3.580 1.00 0.00 O ATOM 878 CB LEU A 62 -9.411 14.282 -2.547 1.00 0.00 C ATOM 879 CG LEU A 62 -9.657 15.502 -1.656 1.00 0.00 C ATOM 880 CD1 LEU A 62 -8.581 15.617 -0.575 1.00 0.00 C ATOM 881 CD2 LEU A 62 -9.768 16.778 -2.493 1.00 0.00 C ATOM 0 H LEU A 62 -8.892 13.060 -4.939 1.00 0.00 H new ATOM 0 HA LEU A 62 -7.825 15.379 -3.395 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -10.289 14.133 -3.175 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -9.323 13.403 -1.909 1.00 0.00 H new ATOM 0 HG LEU A 62 -10.611 15.367 -1.147 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -8.779 16.492 0.044 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -8.593 14.722 0.047 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -7.603 15.719 -1.045 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -9.943 17.630 -1.836 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -8.842 16.931 -3.047 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -10.598 16.683 -3.193 1.00 0.00 H new ATOM 893 N GLU A 63 -6.367 13.900 -1.922 1.00 0.00 N ATOM 894 CA GLU A 63 -5.249 13.154 -1.370 1.00 0.00 C ATOM 895 C GLU A 63 -5.216 13.298 0.153 1.00 0.00 C ATOM 896 O GLU A 63 -4.892 14.365 0.672 1.00 0.00 O ATOM 897 CB GLU A 63 -3.927 13.608 -1.992 1.00 0.00 C ATOM 898 CG GLU A 63 -3.838 13.184 -3.459 1.00 0.00 C ATOM 899 CD GLU A 63 -4.077 14.375 -4.390 1.00 0.00 C ATOM 900 OE1 GLU A 63 -4.960 15.192 -4.050 1.00 0.00 O ATOM 901 OE2 GLU A 63 -3.371 14.442 -5.419 1.00 0.00 O ATOM 0 H GLU A 63 -6.587 14.766 -1.430 1.00 0.00 H new ATOM 0 HA GLU A 63 -5.384 12.100 -1.613 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -3.839 14.692 -1.917 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -3.093 13.181 -1.435 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -2.856 12.754 -3.658 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -4.574 12.406 -3.662 1.00 0.00 H new ATOM 908 N ARG A 64 -5.557 12.209 0.826 1.00 0.00 N ATOM 909 CA ARG A 64 -5.570 12.200 2.279 1.00 0.00 C ATOM 910 C ARG A 64 -4.558 11.185 2.813 1.00 0.00 C ATOM 911 O ARG A 64 -4.273 10.184 2.159 1.00 0.00 O ATOM 912 CB ARG A 64 -6.961 11.854 2.815 1.00 0.00 C ATOM 913 CG ARG A 64 -7.055 12.134 4.316 1.00 0.00 C ATOM 914 CD ARG A 64 -7.201 13.632 4.587 1.00 0.00 C ATOM 915 NE ARG A 64 -8.521 14.106 4.113 1.00 0.00 N ATOM 916 CZ ARG A 64 -9.077 15.270 4.477 1.00 0.00 C ATOM 917 NH1 ARG A 64 -8.430 16.086 5.321 1.00 0.00 N ATOM 918 NH2 ARG A 64 -10.279 15.617 3.997 1.00 0.00 N ATOM 0 H ARG A 64 -5.827 11.326 0.392 1.00 0.00 H new ATOM 0 HA ARG A 64 -5.300 13.200 2.619 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -7.714 12.437 2.285 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -7.178 10.803 2.623 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -7.907 11.600 4.736 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -6.164 11.756 4.816 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -7.096 13.829 5.654 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -6.406 14.180 4.082 1.00 0.00 H new ATOM 0 HE ARG A 64 -9.040 13.509 3.469 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -7.515 15.821 5.686 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -8.853 16.972 5.598 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -10.771 14.995 3.355 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -10.702 16.503 4.274 1.00 0.00 H new ATOM 932 N GLY A 65 -4.042 11.480 3.998 1.00 0.00 N ATOM 933 CA GLY A 65 -3.067 10.605 4.627 1.00 0.00 C ATOM 934 C GLY A 65 -3.617 10.018 5.928 1.00 0.00 C ATOM 935 O GLY A 65 -4.222 10.730 6.728 1.00 0.00 O ATOM 0 H GLY A 65 -4.281 12.312 4.538 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -2.802 9.799 3.943 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -2.153 11.162 4.833 1.00 0.00 H new ATOM 939 N LEU A 66 -3.387 8.724 6.100 1.00 0.00 N ATOM 940 CA LEU A 66 -3.852 8.033 7.291 1.00 0.00 C ATOM 941 C LEU A 66 -2.651 7.665 8.164 1.00 0.00 C ATOM 942 O LEU A 66 -1.535 7.528 7.664 1.00 0.00 O ATOM 943 CB LEU A 66 -4.725 6.835 6.908 1.00 0.00 C ATOM 944 CG LEU A 66 -4.104 5.840 5.926 1.00 0.00 C ATOM 945 CD1 LEU A 66 -4.560 4.412 6.231 1.00 0.00 C ATOM 946 CD2 LEU A 66 -4.401 6.240 4.479 1.00 0.00 C ATOM 0 H LEU A 66 -2.885 8.136 5.435 1.00 0.00 H new ATOM 0 HA LEU A 66 -4.490 8.686 7.886 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -4.991 6.298 7.819 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -5.653 7.210 6.476 1.00 0.00 H new ATOM 0 HG LEU A 66 -3.022 5.866 6.052 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -4.104 3.724 5.518 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -4.256 4.141 7.242 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -5.645 4.352 6.150 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -3.948 5.516 3.801 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -5.479 6.260 4.321 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -3.987 7.229 4.283 1.00 0.00 H new ATOM 958 N GLU A 67 -2.920 7.515 9.452 1.00 0.00 N ATOM 959 CA GLU A 67 -1.875 7.166 10.399 1.00 0.00 C ATOM 960 C GLU A 67 -1.589 5.664 10.344 1.00 0.00 C ATOM 961 O GLU A 67 -2.194 4.942 9.553 1.00 0.00 O ATOM 962 CB GLU A 67 -2.253 7.600 11.817 1.00 0.00 C ATOM 963 CG GLU A 67 -1.999 9.095 12.019 1.00 0.00 C ATOM 964 CD GLU A 67 -2.175 9.488 13.487 1.00 0.00 C ATOM 965 OE1 GLU A 67 -3.346 9.559 13.919 1.00 0.00 O ATOM 966 OE2 GLU A 67 -1.135 9.708 14.144 1.00 0.00 O ATOM 0 H GLU A 67 -3.847 7.629 9.862 1.00 0.00 H new ATOM 0 HA GLU A 67 -0.966 7.700 10.121 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -3.304 7.378 12.001 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -1.675 7.028 12.543 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -0.990 9.344 11.691 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -2.686 9.671 11.400 1.00 0.00 H new ATOM 973 N ASP A 68 -0.665 5.238 11.193 1.00 0.00 N ATOM 974 CA ASP A 68 -0.291 3.835 11.250 1.00 0.00 C ATOM 975 C ASP A 68 -1.463 3.022 11.802 1.00 0.00 C ATOM 976 O ASP A 68 -1.914 2.068 11.170 1.00 0.00 O ATOM 977 CB ASP A 68 0.909 3.623 12.175 1.00 0.00 C ATOM 978 CG ASP A 68 0.964 4.554 13.388 1.00 0.00 C ATOM 979 OD1 ASP A 68 1.070 5.778 13.159 1.00 0.00 O ATOM 980 OD2 ASP A 68 0.899 4.021 14.516 1.00 0.00 O ATOM 0 H ASP A 68 -0.164 5.840 11.847 1.00 0.00 H new ATOM 0 HA ASP A 68 -0.031 3.513 10.242 1.00 0.00 H new ATOM 0 HB2 ASP A 68 0.899 2.592 12.528 1.00 0.00 H new ATOM 0 HB3 ASP A 68 1.823 3.752 11.595 1.00 0.00 H new ATOM 985 N HIS A 69 -1.924 3.429 12.976 1.00 0.00 N ATOM 986 CA HIS A 69 -3.035 2.749 13.620 1.00 0.00 C ATOM 987 C HIS A 69 -4.122 2.449 12.587 1.00 0.00 C ATOM 988 O HIS A 69 -4.644 1.336 12.534 1.00 0.00 O ATOM 989 CB HIS A 69 -3.554 3.562 14.808 1.00 0.00 C ATOM 990 CG HIS A 69 -4.518 4.660 14.426 1.00 0.00 C ATOM 991 ND1 HIS A 69 -4.100 5.909 13.998 1.00 0.00 N ATOM 992 CD2 HIS A 69 -5.881 4.684 14.411 1.00 0.00 C ATOM 993 CE1 HIS A 69 -5.173 6.643 13.741 1.00 0.00 C ATOM 994 NE2 HIS A 69 -6.276 5.882 13.998 1.00 0.00 N ATOM 0 H HIS A 69 -1.548 4.221 13.498 1.00 0.00 H new ATOM 0 HA HIS A 69 -2.696 1.796 14.026 1.00 0.00 H new ATOM 0 HB2 HIS A 69 -4.046 2.888 15.509 1.00 0.00 H new ATOM 0 HB3 HIS A 69 -2.706 4.003 15.332 1.00 0.00 H new ATOM 0 HD2 HIS A 69 -6.530 3.866 14.688 1.00 0.00 H new ATOM 0 HE1 HIS A 69 -5.174 7.664 13.390 1.00 0.00 H new ATOM 0 HE2 HIS A 69 -7.244 6.184 13.890 1.00 0.00 H new ATOM 1002 N GLU A 70 -4.432 3.462 11.790 1.00 0.00 N ATOM 1003 CA GLU A 70 -5.448 3.320 10.761 1.00 0.00 C ATOM 1004 C GLU A 70 -5.281 1.986 10.030 1.00 0.00 C ATOM 1005 O GLU A 70 -4.180 1.641 9.605 1.00 0.00 O ATOM 1006 CB GLU A 70 -5.400 4.493 9.779 1.00 0.00 C ATOM 1007 CG GLU A 70 -5.859 5.789 10.450 1.00 0.00 C ATOM 1008 CD GLU A 70 -7.385 5.840 10.557 1.00 0.00 C ATOM 1009 OE1 GLU A 70 -7.934 4.968 11.264 1.00 0.00 O ATOM 1010 OE2 GLU A 70 -7.968 6.750 9.929 1.00 0.00 O ATOM 0 H GLU A 70 -3.997 4.384 11.836 1.00 0.00 H new ATOM 0 HA GLU A 70 -6.427 3.329 11.240 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -4.385 4.615 9.402 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -6.036 4.279 8.920 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -5.418 5.864 11.444 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -5.502 6.645 9.878 1.00 0.00 H new ATOM 1017 N SER A 71 -6.391 1.273 9.907 1.00 0.00 N ATOM 1018 CA SER A 71 -6.381 -0.015 9.235 1.00 0.00 C ATOM 1019 C SER A 71 -6.648 0.172 7.740 1.00 0.00 C ATOM 1020 O SER A 71 -7.743 0.571 7.346 1.00 0.00 O ATOM 1021 CB SER A 71 -7.418 -0.962 9.844 1.00 0.00 C ATOM 1022 OG SER A 71 -6.846 -1.814 10.834 1.00 0.00 O ATOM 0 H SER A 71 -7.303 1.563 10.261 1.00 0.00 H new ATOM 0 HA SER A 71 -5.396 -0.462 9.369 1.00 0.00 H new ATOM 0 HB2 SER A 71 -8.224 -0.379 10.289 1.00 0.00 H new ATOM 0 HB3 SER A 71 -7.862 -1.569 9.055 1.00 0.00 H new ATOM 0 HG SER A 71 -7.539 -2.402 11.200 1.00 0.00 H new ATOM 1028 N VAL A 72 -5.628 -0.125 6.948 1.00 0.00 N ATOM 1029 CA VAL A 72 -5.739 0.005 5.505 1.00 0.00 C ATOM 1030 C VAL A 72 -7.051 -0.629 5.039 1.00 0.00 C ATOM 1031 O VAL A 72 -7.742 -0.076 4.185 1.00 0.00 O ATOM 1032 CB VAL A 72 -4.508 -0.602 4.829 1.00 0.00 C ATOM 1033 CG1 VAL A 72 -3.385 0.430 4.704 1.00 0.00 C ATOM 1034 CG2 VAL A 72 -4.029 -1.846 5.579 1.00 0.00 C ATOM 0 H VAL A 72 -4.721 -0.455 7.278 1.00 0.00 H new ATOM 0 HA VAL A 72 -5.766 1.056 5.217 1.00 0.00 H new ATOM 0 HB VAL A 72 -4.795 -0.907 3.823 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -2.522 -0.028 4.220 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -3.731 1.273 4.106 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -3.101 0.781 5.696 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -3.153 -2.258 5.078 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -3.768 -1.576 6.602 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -4.824 -2.592 5.592 1.00 0.00 H new ATOM 1044 N VAL A 73 -7.355 -1.780 5.621 1.00 0.00 N ATOM 1045 CA VAL A 73 -8.572 -2.495 5.275 1.00 0.00 C ATOM 1046 C VAL A 73 -9.784 -1.662 5.696 1.00 0.00 C ATOM 1047 O VAL A 73 -10.611 -1.297 4.862 1.00 0.00 O ATOM 1048 CB VAL A 73 -8.556 -3.889 5.905 1.00 0.00 C ATOM 1049 CG1 VAL A 73 -9.914 -4.576 5.750 1.00 0.00 C ATOM 1050 CG2 VAL A 73 -7.437 -4.746 5.312 1.00 0.00 C ATOM 0 H VAL A 73 -6.780 -2.235 6.330 1.00 0.00 H new ATOM 0 HA VAL A 73 -8.637 -2.641 4.197 1.00 0.00 H new ATOM 0 HB VAL A 73 -8.359 -3.773 6.971 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -9.876 -5.565 6.206 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -10.682 -3.979 6.242 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -10.153 -4.674 4.691 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -7.448 -5.732 5.777 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -7.589 -4.850 4.238 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -6.475 -4.268 5.498 1.00 0.00 H new ATOM 1060 N GLU A 74 -9.851 -1.385 6.990 1.00 0.00 N ATOM 1061 CA GLU A 74 -10.948 -0.602 7.532 1.00 0.00 C ATOM 1062 C GLU A 74 -11.131 0.686 6.726 1.00 0.00 C ATOM 1063 O GLU A 74 -12.257 1.113 6.479 1.00 0.00 O ATOM 1064 CB GLU A 74 -10.723 -0.294 9.014 1.00 0.00 C ATOM 1065 CG GLU A 74 -10.787 -1.570 9.855 1.00 0.00 C ATOM 1066 CD GLU A 74 -11.911 -1.488 10.890 1.00 0.00 C ATOM 1067 OE1 GLU A 74 -13.083 -1.573 10.464 1.00 0.00 O ATOM 1068 OE2 GLU A 74 -11.573 -1.342 12.085 1.00 0.00 O ATOM 0 H GLU A 74 -9.163 -1.689 7.679 1.00 0.00 H new ATOM 0 HA GLU A 74 -11.862 -1.190 7.452 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -9.753 0.185 9.146 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -11.477 0.413 9.361 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -10.948 -2.430 9.205 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -9.833 -1.726 10.360 1.00 0.00 H new ATOM 1075 N VAL A 75 -10.005 1.268 6.338 1.00 0.00 N ATOM 1076 CA VAL A 75 -10.026 2.498 5.565 1.00 0.00 C ATOM 1077 C VAL A 75 -10.344 2.171 4.105 1.00 0.00 C ATOM 1078 O VAL A 75 -10.933 2.987 3.396 1.00 0.00 O ATOM 1079 CB VAL A 75 -8.703 3.246 5.736 1.00 0.00 C ATOM 1080 CG1 VAL A 75 -8.673 4.511 4.876 1.00 0.00 C ATOM 1081 CG2 VAL A 75 -8.447 3.578 7.208 1.00 0.00 C ATOM 0 H VAL A 75 -9.072 0.910 6.545 1.00 0.00 H new ATOM 0 HA VAL A 75 -10.809 3.164 5.927 1.00 0.00 H new ATOM 0 HB VAL A 75 -7.901 2.590 5.396 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -7.722 5.024 5.016 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -8.788 4.240 3.826 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -9.488 5.171 5.172 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -7.500 4.110 7.302 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -9.254 4.206 7.585 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -8.404 2.655 7.787 1.00 0.00 H new ATOM 1091 N GLN A 76 -9.940 0.977 3.697 1.00 0.00 N ATOM 1092 CA GLN A 76 -10.174 0.533 2.333 1.00 0.00 C ATOM 1093 C GLN A 76 -11.644 0.149 2.145 1.00 0.00 C ATOM 1094 O GLN A 76 -12.194 0.303 1.056 1.00 0.00 O ATOM 1095 CB GLN A 76 -9.252 -0.633 1.970 1.00 0.00 C ATOM 1096 CG GLN A 76 -9.889 -1.523 0.902 1.00 0.00 C ATOM 1097 CD GLN A 76 -8.833 -2.379 0.200 1.00 0.00 C ATOM 1098 OE1 GLN A 76 -8.926 -3.594 0.131 1.00 0.00 O ATOM 1099 NE2 GLN A 76 -7.825 -1.680 -0.314 1.00 0.00 N ATOM 0 H GLN A 76 -9.452 0.303 4.287 1.00 0.00 H new ATOM 0 HA GLN A 76 -9.945 1.358 1.658 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -8.299 -0.248 1.607 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -9.039 -1.224 2.861 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -10.639 -2.168 1.361 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -10.406 -0.904 0.169 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -7.809 -0.664 -0.221 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -7.068 -2.160 -0.802 1.00 0.00 H new ATOM 1108 N ALA A 77 -12.236 -0.342 3.223 1.00 0.00 N ATOM 1109 CA ALA A 77 -13.631 -0.749 3.190 1.00 0.00 C ATOM 1110 C ALA A 77 -14.521 0.495 3.185 1.00 0.00 C ATOM 1111 O ALA A 77 -15.557 0.520 2.522 1.00 0.00 O ATOM 1112 CB ALA A 77 -13.922 -1.669 4.377 1.00 0.00 C ATOM 0 H ALA A 77 -11.776 -0.467 4.125 1.00 0.00 H new ATOM 0 HA ALA A 77 -13.845 -1.311 2.281 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -14.968 -1.974 4.353 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -13.285 -2.551 4.318 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -13.721 -1.138 5.307 1.00 0.00 H new ATOM 1118 N ALA A 78 -14.084 1.499 3.933 1.00 0.00 N ATOM 1119 CA ALA A 78 -14.828 2.744 4.023 1.00 0.00 C ATOM 1120 C ALA A 78 -14.942 3.367 2.630 1.00 0.00 C ATOM 1121 O ALA A 78 -15.971 3.948 2.288 1.00 0.00 O ATOM 1122 CB ALA A 78 -14.145 3.676 5.025 1.00 0.00 C ATOM 0 H ALA A 78 -13.225 1.475 4.482 1.00 0.00 H new ATOM 0 HA ALA A 78 -15.839 2.561 4.386 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -14.703 4.610 5.092 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -14.116 3.199 6.005 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -13.128 3.884 4.693 1.00 0.00 H new ATOM 1128 N TRP A 79 -13.871 3.224 1.864 1.00 0.00 N ATOM 1129 CA TRP A 79 -13.837 3.766 0.516 1.00 0.00 C ATOM 1130 C TRP A 79 -15.150 3.391 -0.177 1.00 0.00 C ATOM 1131 O TRP A 79 -15.677 2.300 0.033 1.00 0.00 O ATOM 1132 CB TRP A 79 -12.601 3.277 -0.241 1.00 0.00 C ATOM 1133 CG TRP A 79 -11.286 3.872 0.265 1.00 0.00 C ATOM 1134 CD1 TRP A 79 -11.115 4.847 1.168 1.00 0.00 C ATOM 1135 CD2 TRP A 79 -9.955 3.488 -0.143 1.00 0.00 C ATOM 1136 NE1 TRP A 79 -9.777 5.119 1.372 1.00 0.00 N ATOM 1137 CE2 TRP A 79 -9.050 4.266 0.549 1.00 0.00 C ATOM 1138 CE3 TRP A 79 -9.531 2.515 -1.065 1.00 0.00 C ATOM 1139 CZ2 TRP A 79 -7.663 4.152 0.392 1.00 0.00 C ATOM 1140 CZ3 TRP A 79 -8.143 2.414 -1.211 1.00 0.00 C ATOM 1141 CH2 TRP A 79 -7.218 3.190 -0.522 1.00 0.00 C ATOM 0 H TRP A 79 -13.020 2.741 2.151 1.00 0.00 H new ATOM 0 HA TRP A 79 -13.753 4.852 0.539 1.00 0.00 H new ATOM 0 HB2 TRP A 79 -12.549 2.191 -0.167 1.00 0.00 H new ATOM 0 HB3 TRP A 79 -12.715 3.520 -1.298 1.00 0.00 H new ATOM 0 HD1 TRP A 79 -11.923 5.356 1.673 1.00 0.00 H new ATOM 0 HE1 TRP A 79 -9.393 5.817 2.009 1.00 0.00 H new ATOM 0 HE3 TRP A 79 -10.222 1.895 -1.617 1.00 0.00 H new ATOM 0 HZ2 TRP A 79 -6.974 4.773 0.946 1.00 0.00 H new ATOM 0 HZ3 TRP A 79 -7.764 1.682 -1.908 1.00 0.00 H new ATOM 0 HH2 TRP A 79 -6.160 3.051 -0.691 1.00 0.00 H new ATOM 1152 N PRO A 80 -15.652 4.343 -1.009 1.00 0.00 N ATOM 1153 CA PRO A 80 -16.892 4.124 -1.734 1.00 0.00 C ATOM 1154 C PRO A 80 -16.680 3.161 -2.904 1.00 0.00 C ATOM 1155 O PRO A 80 -15.547 2.916 -3.315 1.00 0.00 O ATOM 1156 CB PRO A 80 -17.339 5.507 -2.176 1.00 0.00 C ATOM 1157 CG PRO A 80 -16.105 6.392 -2.088 1.00 0.00 C ATOM 1158 CD PRO A 80 -15.054 5.646 -1.282 1.00 0.00 C ATOM 0 HA PRO A 80 -17.659 3.649 -1.122 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -17.732 5.484 -3.193 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -18.136 5.883 -1.535 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -15.729 6.623 -3.085 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -16.349 7.341 -1.611 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -14.124 5.545 -1.841 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -14.815 6.173 -0.358 1.00 0.00 H new ATOM 1166 N VAL A 81 -17.790 2.641 -3.409 1.00 0.00 N ATOM 1167 CA VAL A 81 -17.740 1.711 -4.524 1.00 0.00 C ATOM 1168 C VAL A 81 -17.660 2.497 -5.835 1.00 0.00 C ATOM 1169 O VAL A 81 -18.542 3.299 -6.137 1.00 0.00 O ATOM 1170 CB VAL A 81 -18.939 0.763 -4.468 1.00 0.00 C ATOM 1171 CG1 VAL A 81 -20.247 1.518 -4.711 1.00 0.00 C ATOM 1172 CG2 VAL A 81 -18.776 -0.387 -5.465 1.00 0.00 C ATOM 0 H VAL A 81 -18.729 2.846 -3.066 1.00 0.00 H new ATOM 0 HA VAL A 81 -16.847 1.089 -4.463 1.00 0.00 H new ATOM 0 HB VAL A 81 -18.981 0.335 -3.467 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -21.083 0.821 -4.666 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -20.372 2.285 -3.946 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -20.219 1.988 -5.694 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -19.642 -1.046 -5.405 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -18.696 0.016 -6.475 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -17.874 -0.950 -5.226 1.00 0.00 H new ATOM 1182 N GLY A 82 -16.594 2.238 -6.579 1.00 0.00 N ATOM 1183 CA GLY A 82 -16.388 2.911 -7.850 1.00 0.00 C ATOM 1184 C GLY A 82 -15.228 3.905 -7.762 1.00 0.00 C ATOM 1185 O GLY A 82 -14.489 4.089 -8.728 1.00 0.00 O ATOM 0 H GLY A 82 -15.864 1.572 -6.326 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -16.182 2.174 -8.627 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -17.299 3.434 -8.140 1.00 0.00 H new ATOM 1189 N GLY A 83 -15.105 4.519 -6.595 1.00 0.00 N ATOM 1190 CA GLY A 83 -14.048 5.490 -6.368 1.00 0.00 C ATOM 1191 C GLY A 83 -12.705 4.969 -6.885 1.00 0.00 C ATOM 1192 O GLY A 83 -11.875 5.744 -7.359 1.00 0.00 O ATOM 0 H GLY A 83 -15.720 4.363 -5.796 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -14.296 6.426 -6.868 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -13.972 5.708 -5.303 1.00 0.00 H new ATOM 1196 N ASP A 84 -12.533 3.660 -6.776 1.00 0.00 N ATOM 1197 CA ASP A 84 -11.305 3.027 -7.227 1.00 0.00 C ATOM 1198 C ASP A 84 -10.120 3.623 -6.466 1.00 0.00 C ATOM 1199 O ASP A 84 -9.011 3.695 -6.994 1.00 0.00 O ATOM 1200 CB ASP A 84 -11.078 3.267 -8.721 1.00 0.00 C ATOM 1201 CG ASP A 84 -12.212 2.793 -9.632 1.00 0.00 C ATOM 1202 OD1 ASP A 84 -13.132 2.136 -9.099 1.00 0.00 O ATOM 1203 OD2 ASP A 84 -12.133 3.099 -10.841 1.00 0.00 O ATOM 0 H ASP A 84 -13.223 3.020 -6.382 1.00 0.00 H new ATOM 0 HA ASP A 84 -11.390 1.956 -7.043 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -10.924 4.334 -8.883 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -10.158 2.763 -9.019 1.00 0.00 H new ATOM 1208 N SER A 85 -10.394 4.036 -5.237 1.00 0.00 N ATOM 1209 CA SER A 85 -9.363 4.624 -4.398 1.00 0.00 C ATOM 1210 C SER A 85 -8.200 3.645 -4.234 1.00 0.00 C ATOM 1211 O SER A 85 -8.380 2.434 -4.358 1.00 0.00 O ATOM 1212 CB SER A 85 -9.924 5.016 -3.030 1.00 0.00 C ATOM 1213 OG SER A 85 -10.922 6.029 -3.132 1.00 0.00 O ATOM 0 H SER A 85 -11.315 3.975 -4.802 1.00 0.00 H new ATOM 0 HA SER A 85 -9.001 5.529 -4.885 1.00 0.00 H new ATOM 0 HB2 SER A 85 -10.349 4.136 -2.547 1.00 0.00 H new ATOM 0 HB3 SER A 85 -9.113 5.369 -2.393 1.00 0.00 H new ATOM 0 HG SER A 85 -10.558 6.880 -2.810 1.00 0.00 H new ATOM 1219 N ARG A 86 -7.031 4.204 -3.958 1.00 0.00 N ATOM 1220 CA ARG A 86 -5.838 3.395 -3.776 1.00 0.00 C ATOM 1221 C ARG A 86 -5.006 3.931 -2.609 1.00 0.00 C ATOM 1222 O ARG A 86 -5.391 4.905 -1.963 1.00 0.00 O ATOM 1223 CB ARG A 86 -4.980 3.386 -5.042 1.00 0.00 C ATOM 1224 CG ARG A 86 -4.721 4.809 -5.540 1.00 0.00 C ATOM 1225 CD ARG A 86 -3.229 5.144 -5.488 1.00 0.00 C ATOM 1226 NE ARG A 86 -2.917 6.217 -6.459 1.00 0.00 N ATOM 1227 CZ ARG A 86 -2.986 6.070 -7.789 1.00 0.00 C ATOM 1228 NH1 ARG A 86 -3.354 4.894 -8.315 1.00 0.00 N ATOM 1229 NH2 ARG A 86 -2.685 7.098 -8.593 1.00 0.00 N ATOM 0 H ARG A 86 -6.885 5.208 -3.856 1.00 0.00 H new ATOM 0 HA ARG A 86 -6.159 2.376 -3.561 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -4.031 2.890 -4.839 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -5.480 2.810 -5.820 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -5.085 4.913 -6.562 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -5.279 5.519 -4.929 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -2.954 5.461 -4.482 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -2.640 4.255 -5.714 1.00 0.00 H new ATOM 0 HE ARG A 86 -2.632 7.125 -6.093 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -3.582 4.110 -7.703 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -3.406 4.782 -9.328 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -2.403 7.993 -8.193 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -2.738 6.986 -9.605 1.00 0.00 H new ATOM 1243 N PHE A 87 -3.882 3.272 -2.373 1.00 0.00 N ATOM 1244 CA PHE A 87 -2.992 3.670 -1.295 1.00 0.00 C ATOM 1245 C PHE A 87 -1.624 4.086 -1.839 1.00 0.00 C ATOM 1246 O PHE A 87 -0.972 3.316 -2.543 1.00 0.00 O ATOM 1247 CB PHE A 87 -2.818 2.451 -0.386 1.00 0.00 C ATOM 1248 CG PHE A 87 -3.844 2.367 0.746 1.00 0.00 C ATOM 1249 CD1 PHE A 87 -3.977 3.400 1.621 1.00 0.00 C ATOM 1250 CD2 PHE A 87 -4.623 1.260 0.877 1.00 0.00 C ATOM 1251 CE1 PHE A 87 -4.929 3.322 2.672 1.00 0.00 C ATOM 1252 CE2 PHE A 87 -5.575 1.183 1.927 1.00 0.00 C ATOM 1253 CZ PHE A 87 -5.708 2.215 2.802 1.00 0.00 C ATOM 0 H PHE A 87 -3.566 2.464 -2.910 1.00 0.00 H new ATOM 0 HA PHE A 87 -3.413 4.520 -0.759 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -2.885 1.547 -0.991 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -1.817 2.472 0.045 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -3.359 4.279 1.516 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -4.517 0.440 0.182 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -5.034 4.141 3.368 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -6.194 0.304 2.031 1.00 0.00 H new ATOM 0 HZ PHE A 87 -6.433 2.156 3.601 1.00 0.00 H new ATOM 1263 N VAL A 88 -1.230 5.302 -1.491 1.00 0.00 N ATOM 1264 CA VAL A 88 0.049 5.829 -1.935 1.00 0.00 C ATOM 1265 C VAL A 88 1.044 5.789 -0.773 1.00 0.00 C ATOM 1266 O VAL A 88 0.650 5.875 0.389 1.00 0.00 O ATOM 1267 CB VAL A 88 -0.136 7.233 -2.514 1.00 0.00 C ATOM 1268 CG1 VAL A 88 1.190 7.995 -2.542 1.00 0.00 C ATOM 1269 CG2 VAL A 88 -0.763 7.173 -3.909 1.00 0.00 C ATOM 0 H VAL A 88 -1.774 5.937 -0.907 1.00 0.00 H new ATOM 0 HA VAL A 88 0.458 5.213 -2.735 1.00 0.00 H new ATOM 0 HB VAL A 88 -0.820 7.776 -1.862 1.00 0.00 H new ATOM 0 HG11 VAL A 88 1.029 8.990 -2.958 1.00 0.00 H new ATOM 0 HG12 VAL A 88 1.580 8.084 -1.528 1.00 0.00 H new ATOM 0 HG13 VAL A 88 1.907 7.455 -3.160 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -0.884 8.184 -4.298 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -0.115 6.603 -4.575 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -1.738 6.689 -3.849 1.00 0.00 H new ATOM 1279 N PHE A 89 2.314 5.657 -1.128 1.00 0.00 N ATOM 1280 CA PHE A 89 3.368 5.604 -0.129 1.00 0.00 C ATOM 1281 C PHE A 89 4.245 6.857 -0.190 1.00 0.00 C ATOM 1282 O PHE A 89 4.938 7.086 -1.179 1.00 0.00 O ATOM 1283 CB PHE A 89 4.227 4.379 -0.449 1.00 0.00 C ATOM 1284 CG PHE A 89 5.225 4.013 0.651 1.00 0.00 C ATOM 1285 CD1 PHE A 89 4.844 4.056 1.956 1.00 0.00 C ATOM 1286 CD2 PHE A 89 6.493 3.646 0.325 1.00 0.00 C ATOM 1287 CE1 PHE A 89 5.770 3.717 2.978 1.00 0.00 C ATOM 1288 CE2 PHE A 89 7.419 3.306 1.346 1.00 0.00 C ATOM 1289 CZ PHE A 89 7.038 3.349 2.651 1.00 0.00 C ATOM 0 H PHE A 89 2.637 5.585 -2.093 1.00 0.00 H new ATOM 0 HA PHE A 89 2.932 5.546 0.868 1.00 0.00 H new ATOM 0 HB2 PHE A 89 3.572 3.526 -0.629 1.00 0.00 H new ATOM 0 HB3 PHE A 89 4.773 4.563 -1.374 1.00 0.00 H new ATOM 0 HD1 PHE A 89 3.837 4.348 2.215 1.00 0.00 H new ATOM 0 HD2 PHE A 89 6.796 3.613 -0.711 1.00 0.00 H new ATOM 0 HE1 PHE A 89 5.468 3.751 4.014 1.00 0.00 H new ATOM 0 HE2 PHE A 89 8.426 3.013 1.087 1.00 0.00 H new ATOM 0 HZ PHE A 89 7.742 3.091 3.428 1.00 0.00 H new ATOM 1299 N ARG A 90 4.185 7.634 0.881 1.00 0.00 N ATOM 1300 CA ARG A 90 4.965 8.858 0.962 1.00 0.00 C ATOM 1301 C ARG A 90 5.636 8.970 2.332 1.00 0.00 C ATOM 1302 O ARG A 90 5.128 8.443 3.321 1.00 0.00 O ATOM 1303 CB ARG A 90 4.085 10.088 0.731 1.00 0.00 C ATOM 1304 CG ARG A 90 3.631 10.171 -0.728 1.00 0.00 C ATOM 1305 CD ARG A 90 2.620 11.303 -0.924 1.00 0.00 C ATOM 1306 NE ARG A 90 2.065 11.253 -2.295 1.00 0.00 N ATOM 1307 CZ ARG A 90 1.522 12.305 -2.924 1.00 0.00 C ATOM 1308 NH1 ARG A 90 1.458 13.493 -2.309 1.00 0.00 N ATOM 1309 NH2 ARG A 90 1.043 12.167 -4.168 1.00 0.00 N ATOM 0 H ARG A 90 3.609 7.440 1.700 1.00 0.00 H new ATOM 0 HA ARG A 90 5.726 8.818 0.183 1.00 0.00 H new ATOM 0 HB2 ARG A 90 3.214 10.044 1.385 1.00 0.00 H new ATOM 0 HB3 ARG A 90 4.637 10.990 0.996 1.00 0.00 H new ATOM 0 HG2 ARG A 90 4.495 10.334 -1.373 1.00 0.00 H new ATOM 0 HG3 ARG A 90 3.184 9.223 -1.028 1.00 0.00 H new ATOM 0 HD2 ARG A 90 1.816 11.214 -0.194 1.00 0.00 H new ATOM 0 HD3 ARG A 90 3.102 12.266 -0.752 1.00 0.00 H new ATOM 0 HE ARG A 90 2.098 10.363 -2.792 1.00 0.00 H new ATOM 0 HH11 ARG A 90 1.822 13.597 -1.362 1.00 0.00 H new ATOM 0 HH12 ARG A 90 1.045 14.293 -2.788 1.00 0.00 H new ATOM 0 HH21 ARG A 90 1.092 11.262 -4.636 1.00 0.00 H new ATOM 0 HH22 ARG A 90 0.630 12.967 -4.647 1.00 0.00 H new ATOM 1323 N LYS A 91 6.767 9.659 2.347 1.00 0.00 N ATOM 1324 CA LYS A 91 7.513 9.847 3.580 1.00 0.00 C ATOM 1325 C LYS A 91 7.356 11.294 4.051 1.00 0.00 C ATOM 1326 O LYS A 91 7.505 11.585 5.237 1.00 0.00 O ATOM 1327 CB LYS A 91 8.970 9.416 3.396 1.00 0.00 C ATOM 1328 CG LYS A 91 9.847 10.603 2.994 1.00 0.00 C ATOM 1329 CD LYS A 91 11.206 10.130 2.474 1.00 0.00 C ATOM 1330 CE LYS A 91 11.144 9.825 0.976 1.00 0.00 C ATOM 1331 NZ LYS A 91 12.505 9.611 0.434 1.00 0.00 N ATOM 0 H LYS A 91 7.185 10.094 1.525 1.00 0.00 H new ATOM 0 HA LYS A 91 7.112 9.209 4.368 1.00 0.00 H new ATOM 0 HB2 LYS A 91 9.344 8.981 4.323 1.00 0.00 H new ATOM 0 HB3 LYS A 91 9.030 8.640 2.633 1.00 0.00 H new ATOM 0 HG2 LYS A 91 9.343 11.188 2.225 1.00 0.00 H new ATOM 0 HG3 LYS A 91 9.991 11.260 3.851 1.00 0.00 H new ATOM 0 HD2 LYS A 91 11.958 10.896 2.662 1.00 0.00 H new ATOM 0 HD3 LYS A 91 11.517 9.238 3.018 1.00 0.00 H new ATOM 0 HE2 LYS A 91 10.534 8.938 0.804 1.00 0.00 H new ATOM 0 HE3 LYS A 91 10.662 10.650 0.451 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 12.445 9.405 -0.584 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 13.076 10.468 0.581 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 12.952 8.809 0.924 1.00 0.00 H new