USER MOD reduce.3.24.130724 H: found=0, std=0, add=722, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 614 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 31 CYS SG : rot 140:sc= 0.697 USER MOD Set 1.2: A 33 HIS : no HE2:sc= 0.476 K(o=1.2,f=-4.6!) USER MOD Set 2.1: A 5 TYR OH : rot 70:sc= 0.498 USER MOD Set 2.2: A 34 CYS SG : rot 110:sc= 0.191 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 69:sc= 0.0934 USER MOD Single : A 28 THR OG1 : rot 153:sc= 0.597 USER MOD Single : A 35 GLN : amide:sc= 0.68 K(o=0.68,f=-0.0082) USER MOD Single : A 38 GLN : amide:sc= 1.11 K(o=1.1,f=-0.52) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 48 TYR OH : rot 180:sc= -0.0184 USER MOD Single : A 53 HIS : no HE2:sc= -1.09 K(o=-1.1,f=-2!) USER MOD Single : A 55 LYS NZ :NH3+ 173:sc= 1.04 (180deg=0.992) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 69 GLN : amide:sc= -0.551 X(o=-0.55,f=-0.4) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 THR OG1 : rot 81:sc= 1.12 USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 69 N TYR A 5 8.803 -2.527 7.036 1.00 0.00 N ATOM 70 CA TYR A 5 8.197 -3.523 6.142 1.00 0.00 C ATOM 71 C TYR A 5 8.113 -4.933 6.769 1.00 0.00 C ATOM 72 O TYR A 5 8.826 -5.245 7.728 1.00 0.00 O ATOM 73 CB TYR A 5 8.968 -3.570 4.816 1.00 0.00 C ATOM 74 CG TYR A 5 8.441 -2.630 3.749 1.00 0.00 C ATOM 75 CD1 TYR A 5 8.724 -1.251 3.788 1.00 0.00 C ATOM 76 CD2 TYR A 5 7.618 -3.145 2.726 1.00 0.00 C ATOM 77 CE1 TYR A 5 8.220 -0.396 2.786 1.00 0.00 C ATOM 78 CE2 TYR A 5 7.098 -2.294 1.737 1.00 0.00 C ATOM 79 CZ TYR A 5 7.433 -0.924 1.740 1.00 0.00 C ATOM 80 OH TYR A 5 7.013 -0.131 0.723 1.00 0.00 O ATOM 0 HA TYR A 5 7.169 -3.206 5.963 1.00 0.00 H new ATOM 0 HB2 TYR A 5 10.014 -3.330 5.009 1.00 0.00 H new ATOM 0 HB3 TYR A 5 8.941 -4.589 4.430 1.00 0.00 H new ATOM 0 HD1 TYR A 5 9.328 -0.847 4.587 1.00 0.00 H new ATOM 0 HD2 TYR A 5 7.386 -4.200 2.703 1.00 0.00 H new ATOM 0 HE1 TYR A 5 8.436 0.662 2.819 1.00 0.00 H new ATOM 0 HE2 TYR A 5 6.442 -2.688 0.975 1.00 0.00 H new ATOM 0 HH TYR A 5 7.779 0.121 0.167 1.00 0.00 H new ATOM 89 N SER A 6 7.254 -5.793 6.213 1.00 0.00 N ATOM 90 CA SER A 6 6.979 -7.143 6.730 1.00 0.00 C ATOM 91 C SER A 6 6.963 -8.214 5.622 1.00 0.00 C ATOM 92 O SER A 6 6.206 -8.120 4.652 1.00 0.00 O ATOM 93 CB SER A 6 5.619 -7.153 7.447 1.00 0.00 C ATOM 94 OG SER A 6 5.628 -6.322 8.599 1.00 0.00 O ATOM 0 H SER A 6 6.718 -5.569 5.374 1.00 0.00 H new ATOM 0 HA SER A 6 7.787 -7.389 7.419 1.00 0.00 H new ATOM 0 HB2 SER A 6 4.843 -6.815 6.760 1.00 0.00 H new ATOM 0 HB3 SER A 6 5.367 -8.173 7.736 1.00 0.00 H new ATOM 0 HG SER A 6 4.748 -6.350 9.030 1.00 0.00 H new ATOM 99 N ALA A 7 7.778 -9.266 5.768 1.00 0.00 N ATOM 100 CA ALA A 7 7.789 -10.420 4.857 1.00 0.00 C ATOM 101 C ALA A 7 6.644 -11.415 5.141 1.00 0.00 C ATOM 102 O ALA A 7 6.194 -12.114 4.241 1.00 0.00 O ATOM 103 CB ALA A 7 9.157 -11.097 4.963 1.00 0.00 C ATOM 0 H ALA A 7 8.454 -9.342 6.528 1.00 0.00 H new ATOM 0 HA ALA A 7 7.620 -10.068 3.839 1.00 0.00 H new ATOM 0 HB1 ALA A 7 9.190 -11.958 4.295 1.00 0.00 H new ATOM 0 HB2 ALA A 7 9.936 -10.389 4.681 1.00 0.00 H new ATOM 0 HB3 ALA A 7 9.321 -11.427 5.989 1.00 0.00 H new ATOM 109 N GLU A 8 6.132 -11.445 6.377 1.00 0.00 N ATOM 110 CA GLU A 8 5.013 -12.298 6.814 1.00 0.00 C ATOM 111 C GLU A 8 3.633 -11.726 6.395 1.00 0.00 C ATOM 112 O GLU A 8 2.663 -11.762 7.156 1.00 0.00 O ATOM 113 CB GLU A 8 5.108 -12.558 8.330 1.00 0.00 C ATOM 114 CG GLU A 8 6.407 -13.280 8.735 1.00 0.00 C ATOM 115 CD GLU A 8 6.379 -13.650 10.228 1.00 0.00 C ATOM 116 OE1 GLU A 8 6.730 -12.794 11.071 1.00 0.00 O ATOM 117 OE2 GLU A 8 6.001 -14.796 10.564 1.00 0.00 O ATOM 0 H GLU A 8 6.495 -10.858 7.128 1.00 0.00 H new ATOM 0 HA GLU A 8 5.097 -13.256 6.301 1.00 0.00 H new ATOM 0 HB2 GLU A 8 5.046 -11.608 8.861 1.00 0.00 H new ATOM 0 HB3 GLU A 8 4.253 -13.156 8.645 1.00 0.00 H new ATOM 0 HG2 GLU A 8 6.531 -14.181 8.134 1.00 0.00 H new ATOM 0 HG3 GLU A 8 7.265 -12.639 8.530 1.00 0.00 H new ATOM 122 N ALA A 9 3.534 -11.166 5.182 1.00 0.00 N ATOM 123 CA ALA A 9 2.285 -10.661 4.607 1.00 0.00 C ATOM 124 C ALA A 9 1.280 -11.800 4.326 1.00 0.00 C ATOM 125 O ALA A 9 1.702 -12.943 4.109 1.00 0.00 O ATOM 126 CB ALA A 9 2.594 -9.892 3.312 1.00 0.00 C ATOM 0 H ALA A 9 4.336 -11.050 4.563 1.00 0.00 H new ATOM 0 HA ALA A 9 1.822 -9.992 5.333 1.00 0.00 H new ATOM 0 HB1 ALA A 9 1.666 -9.515 2.882 1.00 0.00 H new ATOM 0 HB2 ALA A 9 3.257 -9.056 3.535 1.00 0.00 H new ATOM 0 HB3 ALA A 9 3.079 -10.559 2.600 1.00 0.00 H new ATOM 132 N PRO A 10 -0.033 -11.507 4.265 1.00 0.00 N ATOM 133 CA PRO A 10 -1.062 -12.491 3.941 1.00 0.00 C ATOM 134 C PRO A 10 -0.996 -12.959 2.482 1.00 0.00 C ATOM 135 O PRO A 10 -0.546 -12.227 1.602 1.00 0.00 O ATOM 136 CB PRO A 10 -2.391 -11.781 4.212 1.00 0.00 C ATOM 137 CG PRO A 10 -2.053 -10.310 3.982 1.00 0.00 C ATOM 138 CD PRO A 10 -0.640 -10.207 4.531 1.00 0.00 C ATOM 0 HA PRO A 10 -0.932 -13.393 4.539 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -3.176 -12.124 3.538 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -2.743 -11.959 5.228 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -2.098 -10.044 2.926 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -2.742 -9.648 4.508 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -0.085 -9.406 4.043 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -0.647 -9.986 5.598 1.00 0.00 H new ATOM 143 N ALA A 11 -1.526 -14.156 2.230 1.00 0.00 N ATOM 144 CA ALA A 11 -1.946 -14.594 0.892 1.00 0.00 C ATOM 145 C ALA A 11 -3.304 -13.965 0.521 1.00 0.00 C ATOM 146 O ALA A 11 -4.066 -13.572 1.410 1.00 0.00 O ATOM 147 CB ALA A 11 -2.015 -16.125 0.907 1.00 0.00 C ATOM 0 H ALA A 11 -1.679 -14.858 2.954 1.00 0.00 H new ATOM 0 HA ALA A 11 -1.233 -14.268 0.135 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -2.325 -16.485 -0.074 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -1.033 -16.531 1.149 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -2.736 -16.449 1.657 1.00 0.00 H new ATOM 153 N ARG A 12 -3.662 -13.923 -0.770 1.00 0.00 N ATOM 154 CA ARG A 12 -4.934 -13.326 -1.237 1.00 0.00 C ATOM 155 C ARG A 12 -6.170 -13.922 -0.534 1.00 0.00 C ATOM 156 O ARG A 12 -7.108 -13.196 -0.227 1.00 0.00 O ATOM 157 CB ARG A 12 -5.085 -13.479 -2.765 1.00 0.00 C ATOM 158 CG ARG A 12 -4.147 -12.596 -3.607 1.00 0.00 C ATOM 159 CD ARG A 12 -4.288 -11.082 -3.372 1.00 0.00 C ATOM 160 NE ARG A 12 -5.671 -10.602 -3.551 1.00 0.00 N ATOM 161 CZ ARG A 12 -6.231 -10.127 -4.659 1.00 0.00 C ATOM 162 NH1 ARG A 12 -5.597 -10.058 -5.814 1.00 0.00 N ATOM 163 NH2 ARG A 12 -7.476 -9.708 -4.614 1.00 0.00 N ATOM 0 H ARG A 12 -3.085 -14.299 -1.522 1.00 0.00 H new ATOM 0 HA ARG A 12 -4.886 -12.269 -0.977 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -4.910 -14.522 -3.029 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -6.115 -13.250 -3.037 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -3.117 -12.886 -3.399 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -4.329 -12.802 -4.662 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -3.953 -10.843 -2.363 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -3.632 -10.549 -4.060 1.00 0.00 H new ATOM 0 HE ARG A 12 -6.269 -10.639 -2.726 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -4.631 -10.378 -5.886 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -6.073 -9.685 -6.635 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -7.997 -9.750 -3.738 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -7.921 -9.341 -5.455 1.00 0.00 H new ATOM 174 N ASP A 13 -6.147 -15.218 -0.224 1.00 0.00 N ATOM 175 CA ASP A 13 -7.236 -15.915 0.475 1.00 0.00 C ATOM 176 C ASP A 13 -7.358 -15.530 1.963 1.00 0.00 C ATOM 177 O ASP A 13 -8.456 -15.540 2.518 1.00 0.00 O ATOM 178 CB ASP A 13 -6.989 -17.426 0.357 1.00 0.00 C ATOM 179 CG ASP A 13 -8.179 -18.257 0.868 1.00 0.00 C ATOM 180 OD1 ASP A 13 -9.254 -18.244 0.218 1.00 0.00 O ATOM 181 OD2 ASP A 13 -8.020 -18.956 1.897 1.00 0.00 O ATOM 0 H ASP A 13 -5.361 -15.826 -0.453 1.00 0.00 H new ATOM 0 HA ASP A 13 -8.174 -15.619 0.005 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -6.794 -17.679 -0.685 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -6.095 -17.690 0.922 1.00 0.00 H new ATOM 185 N GLU A 14 -6.241 -15.172 2.613 1.00 0.00 N ATOM 186 CA GLU A 14 -6.192 -14.704 4.003 1.00 0.00 C ATOM 187 C GLU A 14 -6.603 -13.217 4.083 1.00 0.00 C ATOM 188 O GLU A 14 -7.301 -12.802 5.010 1.00 0.00 O ATOM 189 CB GLU A 14 -4.763 -14.871 4.539 1.00 0.00 C ATOM 190 CG GLU A 14 -4.286 -16.325 4.628 1.00 0.00 C ATOM 191 CD GLU A 14 -2.848 -16.389 5.161 1.00 0.00 C ATOM 192 OE1 GLU A 14 -1.916 -15.986 4.425 1.00 0.00 O ATOM 193 OE2 GLU A 14 -2.644 -16.855 6.307 1.00 0.00 O ATOM 0 H GLU A 14 -5.322 -15.201 2.172 1.00 0.00 H new ATOM 0 HA GLU A 14 -6.886 -15.292 4.604 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -4.080 -14.316 3.896 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -4.705 -14.421 5.530 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -4.948 -16.891 5.283 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -4.336 -16.791 3.644 1.00 0.00 H new ATOM 198 N LEU A 15 -6.189 -12.432 3.079 1.00 0.00 N ATOM 199 CA LEU A 15 -6.509 -11.026 2.864 1.00 0.00 C ATOM 200 C LEU A 15 -7.988 -10.810 2.512 1.00 0.00 C ATOM 201 O LEU A 15 -8.571 -9.814 2.940 1.00 0.00 O ATOM 202 CB LEU A 15 -5.501 -10.522 1.807 1.00 0.00 C ATOM 203 CG LEU A 15 -5.854 -9.256 1.001 1.00 0.00 C ATOM 204 CD1 LEU A 15 -4.549 -8.624 0.502 1.00 0.00 C ATOM 205 CD2 LEU A 15 -6.759 -9.576 -0.201 1.00 0.00 C ATOM 0 H LEU A 15 -5.578 -12.795 2.347 1.00 0.00 H new ATOM 0 HA LEU A 15 -6.401 -10.435 3.774 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -4.553 -10.340 2.313 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -5.333 -11.331 1.097 1.00 0.00 H new ATOM 0 HG LEU A 15 -6.400 -8.571 1.650 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -4.776 -7.725 -0.072 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -3.923 -8.362 1.355 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -4.020 -9.335 -0.132 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -6.984 -8.657 -0.742 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -6.248 -10.273 -0.866 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -7.687 -10.026 0.152 1.00 0.00 H new ATOM 216 N ASP A 16 -8.631 -11.752 1.819 1.00 0.00 N ATOM 217 CA ASP A 16 -10.062 -11.711 1.478 1.00 0.00 C ATOM 218 C ASP A 16 -10.975 -11.644 2.717 1.00 0.00 C ATOM 219 O ASP A 16 -12.111 -11.184 2.630 1.00 0.00 O ATOM 220 CB ASP A 16 -10.383 -12.947 0.624 1.00 0.00 C ATOM 221 CG ASP A 16 -11.858 -13.011 0.197 1.00 0.00 C ATOM 222 OD1 ASP A 16 -12.248 -12.269 -0.734 1.00 0.00 O ATOM 223 OD2 ASP A 16 -12.612 -13.837 0.770 1.00 0.00 O ATOM 0 H ASP A 16 -8.162 -12.588 1.469 1.00 0.00 H new ATOM 0 HA ASP A 16 -10.260 -10.795 0.921 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -9.752 -12.942 -0.265 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -10.133 -13.846 1.187 1.00 0.00 H new ATOM 227 N ARG A 17 -10.458 -12.061 3.883 1.00 0.00 N ATOM 228 CA ARG A 17 -11.168 -12.004 5.164 1.00 0.00 C ATOM 229 C ARG A 17 -11.227 -10.587 5.761 1.00 0.00 C ATOM 230 O ARG A 17 -12.023 -10.363 6.680 1.00 0.00 O ATOM 231 CB ARG A 17 -10.510 -12.966 6.168 1.00 0.00 C ATOM 232 CG ARG A 17 -10.353 -14.417 5.663 1.00 0.00 C ATOM 233 CD ARG A 17 -11.635 -15.048 5.102 1.00 0.00 C ATOM 234 NE ARG A 17 -12.726 -15.061 6.096 1.00 0.00 N ATOM 235 CZ ARG A 17 -14.028 -14.973 5.842 1.00 0.00 C ATOM 236 NH1 ARG A 17 -14.497 -14.859 4.616 1.00 0.00 N ATOM 237 NH2 ARG A 17 -14.880 -15.002 6.839 1.00 0.00 N ATOM 0 H ARG A 17 -9.520 -12.453 3.960 1.00 0.00 H new ATOM 0 HA ARG A 17 -12.197 -12.306 4.968 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -9.526 -12.578 6.430 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -11.103 -12.976 7.083 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -9.587 -14.436 4.888 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -9.990 -15.035 6.484 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -11.955 -14.494 4.219 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -11.426 -16.068 4.780 1.00 0.00 H new ATOM 0 HE ARG A 17 -12.454 -15.146 7.075 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -13.854 -14.836 3.824 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -15.503 -14.794 4.459 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -14.541 -15.091 7.797 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -15.881 -14.935 6.656 1.00 0.00 H new ATOM 248 N LEU A 18 -10.408 -9.634 5.284 1.00 0.00 N ATOM 249 CA LEU A 18 -10.441 -8.245 5.789 1.00 0.00 C ATOM 250 C LEU A 18 -11.735 -7.507 5.384 1.00 0.00 C ATOM 251 O LEU A 18 -12.436 -7.936 4.465 1.00 0.00 O ATOM 252 CB LEU A 18 -9.127 -7.489 5.473 1.00 0.00 C ATOM 253 CG LEU A 18 -8.932 -6.833 4.086 1.00 0.00 C ATOM 254 CD1 LEU A 18 -9.653 -5.484 3.936 1.00 0.00 C ATOM 255 CD2 LEU A 18 -7.431 -6.595 3.858 1.00 0.00 C ATOM 0 H LEU A 18 -9.716 -9.796 4.552 1.00 0.00 H new ATOM 0 HA LEU A 18 -10.485 -8.281 6.878 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -9.015 -6.705 6.222 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -8.305 -8.190 5.620 1.00 0.00 H new ATOM 0 HG LEU A 18 -9.361 -7.517 3.354 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -9.471 -5.083 2.939 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -10.724 -5.626 4.081 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -9.276 -4.785 4.682 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -7.280 -6.132 2.883 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -7.045 -5.936 4.636 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -6.902 -7.547 3.894 1.00 0.00 H new ATOM 266 N ALA A 19 -12.052 -6.391 6.058 1.00 0.00 N ATOM 267 CA ALA A 19 -13.263 -5.594 5.791 1.00 0.00 C ATOM 268 C ALA A 19 -13.066 -4.064 5.804 1.00 0.00 C ATOM 269 O ALA A 19 -13.711 -3.362 5.022 1.00 0.00 O ATOM 270 CB ALA A 19 -14.338 -6.028 6.797 1.00 0.00 C ATOM 0 H ALA A 19 -11.473 -6.013 6.808 1.00 0.00 H new ATOM 0 HA ALA A 19 -13.565 -5.799 4.764 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -15.249 -5.455 6.625 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -14.548 -7.090 6.670 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -13.981 -5.847 7.811 1.00 0.00 H new ATOM 276 N GLY A 20 -12.186 -3.531 6.656 1.00 0.00 N ATOM 277 CA GLY A 20 -11.968 -2.084 6.784 1.00 0.00 C ATOM 278 C GLY A 20 -11.092 -1.507 5.662 1.00 0.00 C ATOM 279 O GLY A 20 -10.496 -2.282 4.902 1.00 0.00 O ATOM 0 H GLY A 20 -11.603 -4.090 7.278 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -12.932 -1.575 6.783 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -11.500 -1.876 7.746 1.00 0.00 H new ATOM 283 N PRO A 21 -10.990 -0.167 5.548 1.00 0.00 N ATOM 284 CA PRO A 21 -10.149 0.488 4.552 1.00 0.00 C ATOM 285 C PRO A 21 -8.676 0.175 4.844 1.00 0.00 C ATOM 286 O PRO A 21 -8.119 0.617 5.851 1.00 0.00 O ATOM 287 CB PRO A 21 -10.486 1.981 4.638 1.00 0.00 C ATOM 288 CG PRO A 21 -10.980 2.165 6.072 1.00 0.00 C ATOM 289 CD PRO A 21 -11.659 0.829 6.383 1.00 0.00 C ATOM 0 HA PRO A 21 -10.328 0.137 3.536 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -9.612 2.600 4.434 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -11.251 2.260 3.913 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -10.158 2.368 6.758 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -11.677 2.999 6.154 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -11.564 0.580 7.440 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -12.725 0.872 6.160 1.00 0.00 H new ATOM 294 N THR A 22 -8.063 -0.621 3.963 1.00 0.00 N ATOM 295 CA THR A 22 -6.686 -1.111 4.101 1.00 0.00 C ATOM 296 C THR A 22 -5.923 -0.873 2.807 1.00 0.00 C ATOM 297 O THR A 22 -6.243 -1.451 1.774 1.00 0.00 O ATOM 298 CB THR A 22 -6.662 -2.608 4.451 1.00 0.00 C ATOM 299 OG1 THR A 22 -7.409 -2.825 5.625 1.00 0.00 O ATOM 300 CG2 THR A 22 -5.233 -3.109 4.704 1.00 0.00 C ATOM 0 H THR A 22 -8.520 -0.951 3.113 1.00 0.00 H new ATOM 0 HA THR A 22 -6.209 -0.563 4.914 1.00 0.00 H new ATOM 0 HB THR A 22 -7.084 -3.150 3.605 1.00 0.00 H new ATOM 0 HG1 THR A 22 -8.359 -2.666 5.442 1.00 0.00 H new ATOM 0 HG21 THR A 22 -5.258 -4.171 4.948 1.00 0.00 H new ATOM 0 HG22 THR A 22 -4.630 -2.957 3.809 1.00 0.00 H new ATOM 0 HG23 THR A 22 -4.795 -2.556 5.535 1.00 0.00 H new ATOM 308 N LEU A 23 -4.862 -0.072 2.864 1.00 0.00 N ATOM 309 CA LEU A 23 -3.918 0.073 1.762 1.00 0.00 C ATOM 310 C LEU A 23 -2.842 -1.014 1.865 1.00 0.00 C ATOM 311 O LEU A 23 -2.227 -1.173 2.914 1.00 0.00 O ATOM 312 CB LEU A 23 -3.334 1.499 1.806 1.00 0.00 C ATOM 313 CG LEU A 23 -2.407 1.845 0.626 1.00 0.00 C ATOM 314 CD1 LEU A 23 -3.106 1.587 -0.701 1.00 0.00 C ATOM 315 CD2 LEU A 23 -1.943 3.287 0.718 1.00 0.00 C ATOM 0 H LEU A 23 -4.633 0.496 3.679 1.00 0.00 H new ATOM 0 HA LEU A 23 -4.409 -0.059 0.798 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -4.156 2.214 1.828 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -2.779 1.622 2.736 1.00 0.00 H new ATOM 0 HG LEU A 23 -1.530 1.200 0.678 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -2.434 1.838 -1.521 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -3.383 0.535 -0.768 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -4.003 2.203 -0.766 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -1.289 3.513 -0.124 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -2.808 3.950 0.694 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -1.398 3.435 1.650 1.00 0.00 H new ATOM 326 N VAL A 24 -2.606 -1.754 0.779 1.00 0.00 N ATOM 327 CA VAL A 24 -1.572 -2.800 0.703 1.00 0.00 C ATOM 328 C VAL A 24 -0.453 -2.331 -0.224 1.00 0.00 C ATOM 329 O VAL A 24 -0.685 -2.164 -1.419 1.00 0.00 O ATOM 330 CB VAL A 24 -2.160 -4.152 0.227 1.00 0.00 C ATOM 331 CG1 VAL A 24 -1.096 -5.258 0.223 1.00 0.00 C ATOM 332 CG2 VAL A 24 -3.338 -4.593 1.126 1.00 0.00 C ATOM 0 H VAL A 24 -3.133 -1.645 -0.087 1.00 0.00 H new ATOM 0 HA VAL A 24 -1.168 -2.967 1.702 1.00 0.00 H new ATOM 0 HB VAL A 24 -2.517 -3.999 -0.791 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -1.544 -6.192 -0.116 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -0.284 -4.980 -0.449 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -0.703 -5.389 1.231 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -3.732 -5.545 0.769 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -2.990 -4.706 2.153 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -4.124 -3.839 1.091 1.00 0.00 H new ATOM 342 N GLU A 25 0.738 -2.100 0.332 1.00 0.00 N ATOM 343 CA GLU A 25 1.917 -1.526 -0.324 1.00 0.00 C ATOM 344 C GLU A 25 2.995 -2.586 -0.555 1.00 0.00 C ATOM 345 O GLU A 25 3.420 -3.262 0.383 1.00 0.00 O ATOM 346 CB GLU A 25 2.454 -0.380 0.548 1.00 0.00 C ATOM 347 CG GLU A 25 3.696 0.317 -0.019 1.00 0.00 C ATOM 348 CD GLU A 25 4.284 1.401 0.904 1.00 0.00 C ATOM 349 OE1 GLU A 25 4.575 1.119 2.089 1.00 0.00 O ATOM 350 OE2 GLU A 25 4.508 2.536 0.423 1.00 0.00 O ATOM 0 H GLU A 25 0.917 -2.322 1.311 1.00 0.00 H new ATOM 0 HA GLU A 25 1.633 -1.142 -1.304 1.00 0.00 H new ATOM 0 HB2 GLU A 25 1.665 0.360 0.680 1.00 0.00 H new ATOM 0 HB3 GLU A 25 2.692 -0.772 1.537 1.00 0.00 H new ATOM 0 HG2 GLU A 25 4.462 -0.433 -0.216 1.00 0.00 H new ATOM 0 HG3 GLU A 25 3.440 0.770 -0.977 1.00 0.00 H new ATOM 355 N PHE A 26 3.465 -2.701 -1.801 1.00 0.00 N ATOM 356 CA PHE A 26 4.564 -3.579 -2.197 1.00 0.00 C ATOM 357 C PHE A 26 5.862 -2.760 -2.316 1.00 0.00 C ATOM 358 O PHE A 26 5.886 -1.675 -2.902 1.00 0.00 O ATOM 359 CB PHE A 26 4.226 -4.288 -3.518 1.00 0.00 C ATOM 360 CG PHE A 26 2.785 -4.762 -3.605 1.00 0.00 C ATOM 361 CD1 PHE A 26 2.308 -5.789 -2.769 1.00 0.00 C ATOM 362 CD2 PHE A 26 1.900 -4.109 -4.476 1.00 0.00 C ATOM 363 CE1 PHE A 26 0.941 -6.118 -2.767 1.00 0.00 C ATOM 364 CE2 PHE A 26 0.548 -4.470 -4.509 1.00 0.00 C ATOM 365 CZ PHE A 26 0.060 -5.446 -3.629 1.00 0.00 C ATOM 0 H PHE A 26 3.079 -2.170 -2.582 1.00 0.00 H new ATOM 0 HA PHE A 26 4.711 -4.346 -1.437 1.00 0.00 H new ATOM 0 HB2 PHE A 26 4.426 -3.609 -4.346 1.00 0.00 H new ATOM 0 HB3 PHE A 26 4.889 -5.144 -3.641 1.00 0.00 H new ATOM 0 HD1 PHE A 26 2.993 -6.325 -2.128 1.00 0.00 H new ATOM 0 HD2 PHE A 26 2.263 -3.325 -5.124 1.00 0.00 H new ATOM 0 HE1 PHE A 26 0.570 -6.886 -2.104 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -0.120 -3.996 -5.213 1.00 0.00 H new ATOM 0 HZ PHE A 26 -0.994 -5.681 -3.614 1.00 0.00 H new ATOM 374 N GLY A 27 6.941 -3.288 -1.744 1.00 0.00 N ATOM 375 CA GLY A 27 8.245 -2.629 -1.703 1.00 0.00 C ATOM 376 C GLY A 27 9.200 -3.294 -0.724 1.00 0.00 C ATOM 377 O GLY A 27 9.006 -4.450 -0.343 1.00 0.00 O ATOM 0 H GLY A 27 6.934 -4.201 -1.288 1.00 0.00 H new ATOM 0 HA2 GLY A 27 8.686 -2.639 -2.700 1.00 0.00 H new ATOM 0 HA3 GLY A 27 8.112 -1.584 -1.424 1.00 0.00 H new ATOM 381 N THR A 28 10.211 -2.542 -0.280 1.00 0.00 N ATOM 382 CA THR A 28 11.103 -2.862 0.853 1.00 0.00 C ATOM 383 C THR A 28 11.439 -1.572 1.602 1.00 0.00 C ATOM 384 O THR A 28 11.019 -0.487 1.204 1.00 0.00 O ATOM 385 CB THR A 28 12.385 -3.578 0.403 1.00 0.00 C ATOM 386 OG1 THR A 28 13.091 -2.756 -0.498 1.00 0.00 O ATOM 387 CG2 THR A 28 12.110 -4.948 -0.228 1.00 0.00 C ATOM 0 H THR A 28 10.446 -1.651 -0.717 1.00 0.00 H new ATOM 0 HA THR A 28 10.580 -3.552 1.515 1.00 0.00 H new ATOM 0 HB THR A 28 12.987 -3.761 1.293 1.00 0.00 H new ATOM 0 HG1 THR A 28 14.048 -2.963 -0.449 1.00 0.00 H new ATOM 0 HG21 THR A 28 13.053 -5.407 -0.527 1.00 0.00 H new ATOM 0 HG22 THR A 28 11.608 -5.589 0.497 1.00 0.00 H new ATOM 0 HG23 THR A 28 11.473 -4.824 -1.104 1.00 0.00 H new ATOM 395 N ASP A 29 12.224 -1.659 2.674 1.00 0.00 N ATOM 396 CA ASP A 29 12.641 -0.477 3.440 1.00 0.00 C ATOM 397 C ASP A 29 13.928 0.166 2.881 1.00 0.00 C ATOM 398 O ASP A 29 14.439 1.146 3.432 1.00 0.00 O ATOM 399 CB ASP A 29 12.788 -0.902 4.908 1.00 0.00 C ATOM 400 CG ASP A 29 12.503 0.216 5.920 1.00 0.00 C ATOM 401 OD1 ASP A 29 12.273 1.393 5.554 1.00 0.00 O ATOM 402 OD2 ASP A 29 12.419 -0.110 7.120 1.00 0.00 O ATOM 0 H ASP A 29 12.588 -2.540 3.037 1.00 0.00 H new ATOM 0 HA ASP A 29 11.884 0.303 3.355 1.00 0.00 H new ATOM 0 HB2 ASP A 29 12.111 -1.734 5.103 1.00 0.00 H new ATOM 0 HB3 ASP A 29 13.801 -1.271 5.068 1.00 0.00 H new ATOM 406 N TRP A 30 14.472 -0.393 1.792 1.00 0.00 N ATOM 407 CA TRP A 30 15.815 -0.097 1.280 1.00 0.00 C ATOM 408 C TRP A 30 15.890 0.236 -0.225 1.00 0.00 C ATOM 409 O TRP A 30 16.905 0.786 -0.647 1.00 0.00 O ATOM 410 CB TRP A 30 16.743 -1.268 1.651 1.00 0.00 C ATOM 411 CG TRP A 30 16.300 -2.651 1.283 1.00 0.00 C ATOM 412 CD1 TRP A 30 15.762 -3.560 2.125 1.00 0.00 C ATOM 413 CD2 TRP A 30 16.376 -3.319 -0.014 1.00 0.00 C ATOM 414 NE1 TRP A 30 15.497 -4.738 1.449 1.00 0.00 N ATOM 415 CE2 TRP A 30 15.830 -4.632 0.115 1.00 0.00 C ATOM 416 CE3 TRP A 30 16.840 -2.941 -1.294 1.00 0.00 C ATOM 417 CZ2 TRP A 30 15.714 -5.511 -0.976 1.00 0.00 C ATOM 418 CZ3 TRP A 30 16.735 -3.814 -2.390 1.00 0.00 C ATOM 419 CH2 TRP A 30 16.163 -5.091 -2.239 1.00 0.00 C ATOM 0 H TRP A 30 13.976 -1.083 1.228 1.00 0.00 H new ATOM 0 HA TRP A 30 16.142 0.827 1.757 1.00 0.00 H new ATOM 0 HB2 TRP A 30 17.711 -1.090 1.183 1.00 0.00 H new ATOM 0 HB3 TRP A 30 16.901 -1.242 2.729 1.00 0.00 H new ATOM 0 HD1 TRP A 30 15.567 -3.392 3.174 1.00 0.00 H new ATOM 0 HE1 TRP A 30 15.106 -5.575 1.881 1.00 0.00 H new ATOM 0 HE3 TRP A 30 17.282 -1.966 -1.432 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 15.286 -6.494 -0.845 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 17.097 -3.502 -3.358 1.00 0.00 H new ATOM 0 HH2 TRP A 30 16.069 -5.747 -3.092 1.00 0.00 H new ATOM 429 N CYS A 31 14.847 -0.021 -1.032 1.00 0.00 N ATOM 430 CA CYS A 31 14.817 0.378 -2.446 1.00 0.00 C ATOM 431 C CYS A 31 14.723 1.905 -2.593 1.00 0.00 C ATOM 432 O CYS A 31 14.007 2.568 -1.838 1.00 0.00 O ATOM 433 CB CYS A 31 13.656 -0.319 -3.158 1.00 0.00 C ATOM 434 SG CYS A 31 13.644 0.149 -4.922 1.00 0.00 S ATOM 0 H CYS A 31 14.006 -0.509 -0.723 1.00 0.00 H new ATOM 0 HA CYS A 31 15.751 0.067 -2.914 1.00 0.00 H new ATOM 0 HB2 CYS A 31 13.753 -1.400 -3.060 1.00 0.00 H new ATOM 0 HB3 CYS A 31 12.711 -0.040 -2.692 1.00 0.00 H new ATOM 0 HG CYS A 31 13.357 -0.892 -5.645 1.00 0.00 H new ATOM 439 N GLY A 32 15.398 2.458 -3.609 1.00 0.00 N ATOM 440 CA GLY A 32 15.369 3.884 -3.957 1.00 0.00 C ATOM 441 C GLY A 32 14.002 4.371 -4.441 1.00 0.00 C ATOM 442 O GLY A 32 13.701 5.552 -4.261 1.00 0.00 O ATOM 0 H GLY A 32 15.996 1.911 -4.228 1.00 0.00 H new ATOM 0 HA2 GLY A 32 15.665 4.468 -3.085 1.00 0.00 H new ATOM 0 HA3 GLY A 32 16.109 4.074 -4.734 1.00 0.00 H new ATOM 446 N HIS A 33 13.136 3.490 -4.949 1.00 0.00 N ATOM 447 CA HIS A 33 11.721 3.819 -5.145 1.00 0.00 C ATOM 448 C HIS A 33 11.035 4.088 -3.798 1.00 0.00 C ATOM 449 O HIS A 33 10.358 5.103 -3.607 1.00 0.00 O ATOM 450 CB HIS A 33 10.977 2.643 -5.807 1.00 0.00 C ATOM 451 CG HIS A 33 11.453 2.185 -7.158 1.00 0.00 C ATOM 452 ND1 HIS A 33 11.903 0.917 -7.447 1.00 0.00 N ATOM 453 CD2 HIS A 33 11.301 2.842 -8.347 1.00 0.00 C ATOM 454 CE1 HIS A 33 11.987 0.800 -8.782 1.00 0.00 C ATOM 455 NE2 HIS A 33 11.640 1.955 -9.380 1.00 0.00 N ATOM 0 H HIS A 33 13.390 2.543 -5.232 1.00 0.00 H new ATOM 0 HA HIS A 33 11.682 4.705 -5.779 1.00 0.00 H new ATOM 0 HB2 HIS A 33 11.025 1.791 -5.128 1.00 0.00 H new ATOM 0 HB3 HIS A 33 9.927 2.919 -5.898 1.00 0.00 H new ATOM 0 HD1 HIS A 33 12.133 0.193 -6.766 1.00 0.00 H new ATOM 0 HD2 HIS A 33 10.977 3.865 -8.470 1.00 0.00 H new ATOM 0 HE1 HIS A 33 12.291 -0.096 -9.303 1.00 0.00 H new ATOM 463 N CYS A 34 11.241 3.187 -2.838 1.00 0.00 N ATOM 464 CA CYS A 34 10.672 3.280 -1.509 1.00 0.00 C ATOM 465 C CYS A 34 11.172 4.496 -0.735 1.00 0.00 C ATOM 466 O CYS A 34 10.365 5.133 -0.063 1.00 0.00 O ATOM 467 CB CYS A 34 10.962 1.992 -0.752 1.00 0.00 C ATOM 468 SG CYS A 34 9.667 0.810 -1.206 1.00 0.00 S ATOM 0 H CYS A 34 11.821 2.359 -2.973 1.00 0.00 H new ATOM 0 HA CYS A 34 9.595 3.414 -1.612 1.00 0.00 H new ATOM 0 HB2 CYS A 34 11.947 1.604 -1.013 1.00 0.00 H new ATOM 0 HB3 CYS A 34 10.964 2.169 0.324 1.00 0.00 H new ATOM 0 HG CYS A 34 10.177 -0.130 -1.944 1.00 0.00 H new ATOM 473 N GLN A 35 12.438 4.891 -0.880 1.00 0.00 N ATOM 474 CA GLN A 35 12.954 6.044 -0.130 1.00 0.00 C ATOM 475 C GLN A 35 12.240 7.360 -0.496 1.00 0.00 C ATOM 476 O GLN A 35 12.198 8.296 0.305 1.00 0.00 O ATOM 477 CB GLN A 35 14.464 6.223 -0.352 1.00 0.00 C ATOM 478 CG GLN A 35 15.325 4.998 -0.064 1.00 0.00 C ATOM 479 CD GLN A 35 15.008 4.275 1.238 1.00 0.00 C ATOM 480 OE1 GLN A 35 15.283 4.751 2.332 1.00 0.00 O ATOM 481 NE2 GLN A 35 14.442 3.094 1.161 1.00 0.00 N ATOM 0 H GLN A 35 13.116 4.442 -1.496 1.00 0.00 H new ATOM 0 HA GLN A 35 12.756 5.826 0.919 1.00 0.00 H new ATOM 0 HB2 GLN A 35 14.627 6.524 -1.387 1.00 0.00 H new ATOM 0 HB3 GLN A 35 14.810 7.043 0.277 1.00 0.00 H new ATOM 0 HG2 GLN A 35 15.214 4.294 -0.888 1.00 0.00 H new ATOM 0 HG3 GLN A 35 16.371 5.305 -0.045 1.00 0.00 H new ATOM 0 HE21 GLN A 35 14.213 2.697 0.250 1.00 0.00 H new ATOM 0 HE22 GLN A 35 14.231 2.573 2.012 1.00 0.00 H new ATOM 488 N ALA A 36 11.670 7.418 -1.705 1.00 0.00 N ATOM 489 CA ALA A 36 10.857 8.522 -2.212 1.00 0.00 C ATOM 490 C ALA A 36 9.357 8.357 -1.901 1.00 0.00 C ATOM 491 O ALA A 36 8.693 9.344 -1.576 1.00 0.00 O ATOM 492 CB ALA A 36 11.105 8.607 -3.724 1.00 0.00 C ATOM 0 H ALA A 36 11.769 6.663 -2.384 1.00 0.00 H new ATOM 0 HA ALA A 36 11.150 9.445 -1.712 1.00 0.00 H new ATOM 0 HB1 ALA A 36 10.515 9.421 -4.144 1.00 0.00 H new ATOM 0 HB2 ALA A 36 12.163 8.792 -3.909 1.00 0.00 H new ATOM 0 HB3 ALA A 36 10.813 7.668 -4.194 1.00 0.00 H new ATOM 498 N ALA A 37 8.818 7.135 -1.961 1.00 0.00 N ATOM 499 CA ALA A 37 7.392 6.870 -1.762 1.00 0.00 C ATOM 500 C ALA A 37 6.995 6.689 -0.284 1.00 0.00 C ATOM 501 O ALA A 37 5.883 7.042 0.095 1.00 0.00 O ATOM 502 CB ALA A 37 6.997 5.643 -2.589 1.00 0.00 C ATOM 0 H ALA A 37 9.365 6.295 -2.151 1.00 0.00 H new ATOM 0 HA ALA A 37 6.845 7.750 -2.100 1.00 0.00 H new ATOM 0 HB1 ALA A 37 5.936 5.436 -2.449 1.00 0.00 H new ATOM 0 HB2 ALA A 37 7.192 5.837 -3.644 1.00 0.00 H new ATOM 0 HB3 ALA A 37 7.581 4.782 -2.264 1.00 0.00 H new ATOM 508 N GLN A 38 7.895 6.202 0.568 1.00 0.00 N ATOM 509 CA GLN A 38 7.644 6.018 2.001 1.00 0.00 C ATOM 510 C GLN A 38 7.251 7.323 2.720 1.00 0.00 C ATOM 511 O GLN A 38 6.188 7.323 3.344 1.00 0.00 O ATOM 512 CB GLN A 38 8.858 5.373 2.673 1.00 0.00 C ATOM 513 CG GLN A 38 8.922 3.852 2.464 1.00 0.00 C ATOM 514 CD GLN A 38 10.187 3.257 3.088 1.00 0.00 C ATOM 515 OE1 GLN A 38 11.291 3.385 2.577 1.00 0.00 O ATOM 516 NE2 GLN A 38 10.083 2.614 4.238 1.00 0.00 N ATOM 0 H GLN A 38 8.832 5.920 0.281 1.00 0.00 H new ATOM 0 HA GLN A 38 6.786 5.352 2.087 1.00 0.00 H new ATOM 0 HB2 GLN A 38 9.768 5.827 2.280 1.00 0.00 H new ATOM 0 HB3 GLN A 38 8.831 5.587 3.742 1.00 0.00 H new ATOM 0 HG2 GLN A 38 8.042 3.385 2.906 1.00 0.00 H new ATOM 0 HG3 GLN A 38 8.900 3.628 1.397 1.00 0.00 H new ATOM 0 HE21 GLN A 38 9.170 2.499 4.677 1.00 0.00 H new ATOM 0 HE22 GLN A 38 10.916 2.233 4.686 1.00 0.00 H new ATOM 523 N PRO A 39 8.021 8.434 2.627 1.00 0.00 N ATOM 524 CA PRO A 39 7.620 9.706 3.224 1.00 0.00 C ATOM 525 C PRO A 39 6.395 10.304 2.526 1.00 0.00 C ATOM 526 O PRO A 39 5.691 11.114 3.123 1.00 0.00 O ATOM 527 CB PRO A 39 8.841 10.630 3.113 1.00 0.00 C ATOM 528 CG PRO A 39 9.589 10.088 1.903 1.00 0.00 C ATOM 529 CD PRO A 39 9.325 8.589 1.988 1.00 0.00 C ATOM 0 HA PRO A 39 7.321 9.571 4.263 1.00 0.00 H new ATOM 0 HB2 PRO A 39 8.546 11.669 2.970 1.00 0.00 H new ATOM 0 HB3 PRO A 39 9.455 10.594 4.013 1.00 0.00 H new ATOM 0 HG2 PRO A 39 9.214 10.513 0.972 1.00 0.00 H new ATOM 0 HG3 PRO A 39 10.654 10.315 1.951 1.00 0.00 H new ATOM 0 HD2 PRO A 39 9.327 8.138 0.996 1.00 0.00 H new ATOM 0 HD3 PRO A 39 10.102 8.090 2.567 1.00 0.00 H new ATOM 534 N LEU A 40 6.104 9.893 1.285 1.00 0.00 N ATOM 535 CA LEU A 40 4.915 10.316 0.544 1.00 0.00 C ATOM 536 C LEU A 40 3.658 9.776 1.234 1.00 0.00 C ATOM 537 O LEU A 40 2.795 10.543 1.672 1.00 0.00 O ATOM 538 CB LEU A 40 5.033 9.793 -0.907 1.00 0.00 C ATOM 539 CG LEU A 40 4.582 10.735 -2.028 1.00 0.00 C ATOM 540 CD1 LEU A 40 3.296 11.488 -1.687 1.00 0.00 C ATOM 541 CD2 LEU A 40 5.685 11.722 -2.419 1.00 0.00 C ATOM 0 H LEU A 40 6.698 9.249 0.763 1.00 0.00 H new ATOM 0 HA LEU A 40 4.839 11.403 0.523 1.00 0.00 H new ATOM 0 HB2 LEU A 40 6.075 9.528 -1.087 1.00 0.00 H new ATOM 0 HB3 LEU A 40 4.452 8.874 -0.983 1.00 0.00 H new ATOM 0 HG LEU A 40 4.369 10.095 -2.884 1.00 0.00 H new ATOM 0 HD11 LEU A 40 3.025 12.140 -2.517 1.00 0.00 H new ATOM 0 HD12 LEU A 40 2.492 10.774 -1.509 1.00 0.00 H new ATOM 0 HD13 LEU A 40 3.453 12.088 -0.791 1.00 0.00 H new ATOM 0 HD21 LEU A 40 5.326 12.372 -3.217 1.00 0.00 H new ATOM 0 HD22 LEU A 40 5.956 12.326 -1.553 1.00 0.00 H new ATOM 0 HD23 LEU A 40 6.560 11.172 -2.766 1.00 0.00 H new ATOM 552 N LEU A 41 3.600 8.448 1.396 1.00 0.00 N ATOM 553 CA LEU A 41 2.500 7.753 2.058 1.00 0.00 C ATOM 554 C LEU A 41 2.389 8.246 3.495 1.00 0.00 C ATOM 555 O LEU A 41 1.293 8.584 3.918 1.00 0.00 O ATOM 556 CB LEU A 41 2.708 6.223 2.041 1.00 0.00 C ATOM 557 CG LEU A 41 2.194 5.449 0.810 1.00 0.00 C ATOM 558 CD1 LEU A 41 0.732 5.742 0.492 1.00 0.00 C ATOM 559 CD2 LEU A 41 3.103 5.666 -0.397 1.00 0.00 C ATOM 0 H LEU A 41 4.331 7.820 1.063 1.00 0.00 H new ATOM 0 HA LEU A 41 1.579 7.969 1.517 1.00 0.00 H new ATOM 0 HB2 LEU A 41 3.776 6.027 2.140 1.00 0.00 H new ATOM 0 HB3 LEU A 41 2.225 5.808 2.925 1.00 0.00 H new ATOM 0 HG LEU A 41 2.232 4.390 1.065 1.00 0.00 H new ATOM 0 HD11 LEU A 41 0.428 5.169 -0.384 1.00 0.00 H new ATOM 0 HD12 LEU A 41 0.111 5.461 1.343 1.00 0.00 H new ATOM 0 HD13 LEU A 41 0.610 6.806 0.289 1.00 0.00 H new ATOM 0 HD21 LEU A 41 2.715 5.108 -1.249 1.00 0.00 H new ATOM 0 HD22 LEU A 41 3.135 6.728 -0.642 1.00 0.00 H new ATOM 0 HD23 LEU A 41 4.109 5.317 -0.162 1.00 0.00 H new ATOM 570 N ALA A 42 3.509 8.356 4.214 1.00 0.00 N ATOM 571 CA ALA A 42 3.532 8.812 5.604 1.00 0.00 C ATOM 572 C ALA A 42 2.935 10.220 5.786 1.00 0.00 C ATOM 573 O ALA A 42 2.245 10.463 6.780 1.00 0.00 O ATOM 574 CB ALA A 42 4.970 8.756 6.118 1.00 0.00 C ATOM 0 H ALA A 42 4.432 8.129 3.844 1.00 0.00 H new ATOM 0 HA ALA A 42 2.898 8.145 6.188 1.00 0.00 H new ATOM 0 HB1 ALA A 42 5.000 9.094 7.154 1.00 0.00 H new ATOM 0 HB2 ALA A 42 5.338 7.731 6.060 1.00 0.00 H new ATOM 0 HB3 ALA A 42 5.600 9.403 5.507 1.00 0.00 H new ATOM 580 N GLU A 43 3.162 11.129 4.832 1.00 0.00 N ATOM 581 CA GLU A 43 2.552 12.460 4.837 1.00 0.00 C ATOM 582 C GLU A 43 1.049 12.396 4.531 1.00 0.00 C ATOM 583 O GLU A 43 0.256 13.028 5.226 1.00 0.00 O ATOM 584 CB GLU A 43 3.263 13.373 3.830 1.00 0.00 C ATOM 585 CG GLU A 43 4.629 13.835 4.348 1.00 0.00 C ATOM 586 CD GLU A 43 4.517 15.016 5.325 1.00 0.00 C ATOM 587 OE1 GLU A 43 4.393 16.178 4.869 1.00 0.00 O ATOM 588 OE2 GLU A 43 4.563 14.794 6.555 1.00 0.00 O ATOM 0 H GLU A 43 3.775 10.961 4.034 1.00 0.00 H new ATOM 0 HA GLU A 43 2.667 12.874 5.839 1.00 0.00 H new ATOM 0 HB2 GLU A 43 3.392 12.843 2.887 1.00 0.00 H new ATOM 0 HB3 GLU A 43 2.639 14.243 3.624 1.00 0.00 H new ATOM 0 HG2 GLU A 43 5.127 13.002 4.845 1.00 0.00 H new ATOM 0 HG3 GLU A 43 5.256 14.123 3.504 1.00 0.00 H new ATOM 593 N VAL A 44 0.634 11.607 3.534 1.00 0.00 N ATOM 594 CA VAL A 44 -0.789 11.462 3.169 1.00 0.00 C ATOM 595 C VAL A 44 -1.588 10.832 4.316 1.00 0.00 C ATOM 596 O VAL A 44 -2.594 11.393 4.751 1.00 0.00 O ATOM 597 CB VAL A 44 -0.969 10.626 1.885 1.00 0.00 C ATOM 598 CG1 VAL A 44 -2.438 10.437 1.520 1.00 0.00 C ATOM 599 CG2 VAL A 44 -0.171 11.187 0.719 1.00 0.00 C ATOM 0 H VAL A 44 1.267 11.052 2.958 1.00 0.00 H new ATOM 0 HA VAL A 44 -1.172 12.465 2.978 1.00 0.00 H new ATOM 0 HB VAL A 44 -0.565 9.637 2.104 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -2.513 9.842 0.610 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -2.952 9.923 2.332 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -2.901 11.410 1.357 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -0.329 10.566 -0.163 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -0.500 12.205 0.509 1.00 0.00 H new ATOM 0 HG23 VAL A 44 0.889 11.193 0.973 1.00 0.00 H new ATOM 609 N PHE A 45 -1.105 9.708 4.862 1.00 0.00 N ATOM 610 CA PHE A 45 -1.657 9.011 6.028 1.00 0.00 C ATOM 611 C PHE A 45 -1.734 9.898 7.282 1.00 0.00 C ATOM 612 O PHE A 45 -2.456 9.552 8.217 1.00 0.00 O ATOM 613 CB PHE A 45 -0.819 7.753 6.337 1.00 0.00 C ATOM 614 CG PHE A 45 -1.301 6.452 5.720 1.00 0.00 C ATOM 615 CD1 PHE A 45 -2.433 5.815 6.265 1.00 0.00 C ATOM 616 CD2 PHE A 45 -0.576 5.814 4.690 1.00 0.00 C ATOM 617 CE1 PHE A 45 -2.837 4.562 5.778 1.00 0.00 C ATOM 618 CE2 PHE A 45 -0.969 4.549 4.233 1.00 0.00 C ATOM 619 CZ PHE A 45 -2.114 3.935 4.758 1.00 0.00 C ATOM 0 H PHE A 45 -0.281 9.240 4.485 1.00 0.00 H new ATOM 0 HA PHE A 45 -2.679 8.733 5.769 1.00 0.00 H new ATOM 0 HB2 PHE A 45 0.203 7.932 6.002 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -0.782 7.625 7.419 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -2.990 6.291 7.058 1.00 0.00 H new ATOM 0 HD2 PHE A 45 0.283 6.302 4.254 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -3.710 4.080 6.193 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -0.388 4.046 3.474 1.00 0.00 H new ATOM 0 HZ PHE A 45 -2.438 2.978 4.375 1.00 0.00 H new ATOM 628 N SER A 46 -1.040 11.042 7.306 1.00 0.00 N ATOM 629 CA SER A 46 -1.161 12.004 8.415 1.00 0.00 C ATOM 630 C SER A 46 -2.581 12.599 8.524 1.00 0.00 C ATOM 631 O SER A 46 -3.037 12.937 9.622 1.00 0.00 O ATOM 632 CB SER A 46 -0.117 13.124 8.264 1.00 0.00 C ATOM 633 OG SER A 46 0.088 13.827 9.484 1.00 0.00 O ATOM 0 H SER A 46 -0.390 11.326 6.574 1.00 0.00 H new ATOM 0 HA SER A 46 -0.972 11.459 9.340 1.00 0.00 H new ATOM 0 HB2 SER A 46 0.828 12.697 7.928 1.00 0.00 H new ATOM 0 HB3 SER A 46 -0.443 13.822 7.493 1.00 0.00 H new ATOM 0 HG SER A 46 0.758 14.529 9.348 1.00 0.00 H new ATOM 638 N ASP A 47 -3.320 12.673 7.407 1.00 0.00 N ATOM 639 CA ASP A 47 -4.709 13.124 7.325 1.00 0.00 C ATOM 640 C ASP A 47 -5.735 11.967 7.366 1.00 0.00 C ATOM 641 O ASP A 47 -6.924 12.219 7.572 1.00 0.00 O ATOM 642 CB ASP A 47 -4.852 13.941 6.030 1.00 0.00 C ATOM 643 CG ASP A 47 -4.636 15.440 6.288 1.00 0.00 C ATOM 644 OD1 ASP A 47 -5.617 16.140 6.639 1.00 0.00 O ATOM 645 OD2 ASP A 47 -3.485 15.918 6.143 1.00 0.00 O ATOM 0 H ASP A 47 -2.944 12.407 6.497 1.00 0.00 H new ATOM 0 HA ASP A 47 -4.932 13.731 8.203 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -4.129 13.589 5.294 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -5.843 13.782 5.605 1.00 0.00 H new ATOM 649 N TYR A 48 -5.300 10.707 7.193 1.00 0.00 N ATOM 650 CA TYR A 48 -6.166 9.516 7.116 1.00 0.00 C ATOM 651 C TYR A 48 -5.731 8.353 8.046 1.00 0.00 C ATOM 652 O TYR A 48 -5.708 7.200 7.599 1.00 0.00 O ATOM 653 CB TYR A 48 -6.291 9.070 5.646 1.00 0.00 C ATOM 654 CG TYR A 48 -6.569 10.202 4.665 1.00 0.00 C ATOM 655 CD1 TYR A 48 -7.847 10.791 4.583 1.00 0.00 C ATOM 656 CD2 TYR A 48 -5.523 10.709 3.877 1.00 0.00 C ATOM 657 CE1 TYR A 48 -8.066 11.896 3.739 1.00 0.00 C ATOM 658 CE2 TYR A 48 -5.720 11.837 3.056 1.00 0.00 C ATOM 659 CZ TYR A 48 -6.997 12.438 2.993 1.00 0.00 C ATOM 660 OH TYR A 48 -7.189 13.555 2.239 1.00 0.00 O ATOM 0 H TYR A 48 -4.309 10.482 7.100 1.00 0.00 H new ATOM 0 HA TYR A 48 -7.147 9.805 7.493 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -5.369 8.569 5.352 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -7.092 8.334 5.569 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -8.661 10.393 5.170 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -4.556 10.229 3.901 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -9.052 12.329 3.662 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -4.901 12.239 2.479 1.00 0.00 H new ATOM 0 HH TYR A 48 -6.351 13.795 1.791 1.00 0.00 H new ATOM 669 N PRO A 49 -5.418 8.602 9.340 1.00 0.00 N ATOM 670 CA PRO A 49 -4.927 7.567 10.257 1.00 0.00 C ATOM 671 C PRO A 49 -5.931 6.431 10.514 1.00 0.00 C ATOM 672 O PRO A 49 -5.519 5.358 10.950 1.00 0.00 O ATOM 673 CB PRO A 49 -4.568 8.298 11.553 1.00 0.00 C ATOM 674 CG PRO A 49 -5.487 9.516 11.543 1.00 0.00 C ATOM 675 CD PRO A 49 -5.556 9.866 10.059 1.00 0.00 C ATOM 0 HA PRO A 49 -4.069 7.061 9.814 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -4.742 7.672 12.428 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -3.518 8.588 11.572 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -6.471 9.285 11.952 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -5.080 10.336 12.135 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -6.501 10.352 9.816 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -4.761 10.560 9.784 1.00 0.00 H new ATOM 680 N GLU A 50 -7.218 6.628 10.206 1.00 0.00 N ATOM 681 CA GLU A 50 -8.240 5.566 10.264 1.00 0.00 C ATOM 682 C GLU A 50 -8.066 4.471 9.186 1.00 0.00 C ATOM 683 O GLU A 50 -8.649 3.393 9.324 1.00 0.00 O ATOM 684 CB GLU A 50 -9.644 6.197 10.189 1.00 0.00 C ATOM 685 CG GLU A 50 -9.975 6.864 8.848 1.00 0.00 C ATOM 686 CD GLU A 50 -11.346 7.556 8.900 1.00 0.00 C ATOM 687 OE1 GLU A 50 -12.381 6.887 8.677 1.00 0.00 O ATOM 688 OE2 GLU A 50 -11.393 8.777 9.183 1.00 0.00 O ATOM 0 H GLU A 50 -7.586 7.531 9.908 1.00 0.00 H new ATOM 0 HA GLU A 50 -8.112 5.054 11.218 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -10.386 5.424 10.388 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -9.737 6.940 10.982 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -9.204 7.594 8.601 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -9.971 6.116 8.055 1.00 0.00 H new ATOM 693 N VAL A 51 -7.261 4.713 8.141 1.00 0.00 N ATOM 694 CA VAL A 51 -6.884 3.721 7.116 1.00 0.00 C ATOM 695 C VAL A 51 -5.693 2.899 7.642 1.00 0.00 C ATOM 696 O VAL A 51 -4.800 3.447 8.288 1.00 0.00 O ATOM 697 CB VAL A 51 -6.557 4.404 5.759 1.00 0.00 C ATOM 698 CG1 VAL A 51 -6.204 3.419 4.633 1.00 0.00 C ATOM 699 CG2 VAL A 51 -7.739 5.261 5.272 1.00 0.00 C ATOM 0 H VAL A 51 -6.841 5.628 7.979 1.00 0.00 H new ATOM 0 HA VAL A 51 -7.725 3.054 6.928 1.00 0.00 H new ATOM 0 HB VAL A 51 -5.680 5.017 5.965 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -5.989 3.973 3.719 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -5.328 2.837 4.920 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -7.045 2.747 4.460 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -7.483 5.727 4.321 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -8.617 4.629 5.141 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -7.955 6.035 6.009 1.00 0.00 H new ATOM 709 N GLY A 52 -5.669 1.588 7.376 1.00 0.00 N ATOM 710 CA GLY A 52 -4.545 0.696 7.698 1.00 0.00 C ATOM 711 C GLY A 52 -3.527 0.609 6.557 1.00 0.00 C ATOM 712 O GLY A 52 -3.889 0.795 5.398 1.00 0.00 O ATOM 0 H GLY A 52 -6.445 1.106 6.922 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -4.047 1.053 8.600 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -4.927 -0.301 7.918 1.00 0.00 H new ATOM 716 N HIS A 53 -2.262 0.302 6.857 1.00 0.00 N ATOM 717 CA HIS A 53 -1.212 0.135 5.842 1.00 0.00 C ATOM 718 C HIS A 53 -0.464 -1.203 6.025 1.00 0.00 C ATOM 719 O HIS A 53 0.220 -1.408 7.035 1.00 0.00 O ATOM 720 CB HIS A 53 -0.216 1.306 5.923 1.00 0.00 C ATOM 721 CG HIS A 53 0.548 1.590 4.646 1.00 0.00 C ATOM 722 ND1 HIS A 53 1.747 2.267 4.539 1.00 0.00 N ATOM 723 CD2 HIS A 53 0.134 1.333 3.364 1.00 0.00 C ATOM 724 CE1 HIS A 53 2.038 2.403 3.232 1.00 0.00 C ATOM 725 NE2 HIS A 53 1.062 1.872 2.478 1.00 0.00 N ATOM 0 H HIS A 53 -1.934 0.161 7.812 1.00 0.00 H new ATOM 0 HA HIS A 53 -1.687 0.126 4.861 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -0.760 2.206 6.210 1.00 0.00 H new ATOM 0 HB3 HIS A 53 0.500 1.099 6.718 1.00 0.00 H new ATOM 0 HD1 HIS A 53 2.314 2.605 5.316 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -0.764 0.800 3.088 1.00 0.00 H new ATOM 0 HE1 HIS A 53 2.930 2.873 2.845 1.00 0.00 H new ATOM 733 N LEU A 54 -0.552 -2.100 5.040 1.00 0.00 N ATOM 734 CA LEU A 54 0.163 -3.380 5.025 1.00 0.00 C ATOM 735 C LEU A 54 1.406 -3.251 4.135 1.00 0.00 C ATOM 736 O LEU A 54 1.317 -3.180 2.914 1.00 0.00 O ATOM 737 CB LEU A 54 -0.813 -4.489 4.560 1.00 0.00 C ATOM 738 CG LEU A 54 -0.464 -5.937 4.965 1.00 0.00 C ATOM 739 CD1 LEU A 54 0.960 -6.354 4.580 1.00 0.00 C ATOM 740 CD2 LEU A 54 -0.678 -6.175 6.470 1.00 0.00 C ATOM 0 H LEU A 54 -1.133 -1.955 4.214 1.00 0.00 H new ATOM 0 HA LEU A 54 0.515 -3.655 6.019 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -1.803 -4.256 4.951 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -0.882 -4.447 3.473 1.00 0.00 H new ATOM 0 HG LEU A 54 -1.153 -6.562 4.397 1.00 0.00 H new ATOM 0 HD11 LEU A 54 1.136 -7.383 4.895 1.00 0.00 H new ATOM 0 HD12 LEU A 54 1.081 -6.280 3.499 1.00 0.00 H new ATOM 0 HD13 LEU A 54 1.677 -5.697 5.071 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -0.422 -7.206 6.715 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -0.042 -5.497 7.040 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -1.722 -5.991 6.723 1.00 0.00 H new ATOM 751 N LYS A 55 2.582 -3.222 4.763 1.00 0.00 N ATOM 752 CA LYS A 55 3.867 -3.100 4.072 1.00 0.00 C ATOM 753 C LYS A 55 4.400 -4.484 3.681 1.00 0.00 C ATOM 754 O LYS A 55 5.068 -5.143 4.482 1.00 0.00 O ATOM 755 CB LYS A 55 4.883 -2.377 4.962 1.00 0.00 C ATOM 756 CG LYS A 55 4.686 -0.871 5.143 1.00 0.00 C ATOM 757 CD LYS A 55 3.599 -0.448 6.129 1.00 0.00 C ATOM 758 CE LYS A 55 3.761 -1.060 7.529 1.00 0.00 C ATOM 759 NZ LYS A 55 2.630 -0.697 8.428 1.00 0.00 N ATOM 0 H LYS A 55 2.670 -3.283 5.777 1.00 0.00 H new ATOM 0 HA LYS A 55 3.716 -2.516 3.164 1.00 0.00 H new ATOM 0 HB2 LYS A 55 4.866 -2.844 5.947 1.00 0.00 H new ATOM 0 HB3 LYS A 55 5.878 -2.543 4.548 1.00 0.00 H new ATOM 0 HG2 LYS A 55 5.632 -0.438 5.469 1.00 0.00 H new ATOM 0 HG3 LYS A 55 4.455 -0.436 4.171 1.00 0.00 H new ATOM 0 HD2 LYS A 55 3.602 0.639 6.215 1.00 0.00 H new ATOM 0 HD3 LYS A 55 2.626 -0.733 5.728 1.00 0.00 H new ATOM 0 HE2 LYS A 55 3.825 -2.145 7.446 1.00 0.00 H new ATOM 0 HE3 LYS A 55 4.698 -0.718 7.968 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 2.714 -1.223 9.321 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 2.656 0.324 8.623 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 1.729 -0.939 7.968 1.00 0.00 H new ATOM 769 N VAL A 56 4.129 -4.918 2.454 1.00 0.00 N ATOM 770 CA VAL A 56 4.593 -6.204 1.912 1.00 0.00 C ATOM 771 C VAL A 56 6.030 -6.074 1.461 1.00 0.00 C ATOM 772 O VAL A 56 6.324 -5.306 0.543 1.00 0.00 O ATOM 773 CB VAL A 56 3.729 -6.685 0.724 1.00 0.00 C ATOM 774 CG1 VAL A 56 4.195 -8.071 0.235 1.00 0.00 C ATOM 775 CG2 VAL A 56 2.231 -6.739 1.040 1.00 0.00 C ATOM 0 H VAL A 56 3.571 -4.380 1.791 1.00 0.00 H new ATOM 0 HA VAL A 56 4.506 -6.944 2.708 1.00 0.00 H new ATOM 0 HB VAL A 56 3.868 -5.942 -0.061 1.00 0.00 H new ATOM 0 HG11 VAL A 56 3.573 -8.390 -0.601 1.00 0.00 H new ATOM 0 HG12 VAL A 56 5.235 -8.012 -0.088 1.00 0.00 H new ATOM 0 HG13 VAL A 56 4.107 -8.792 1.048 1.00 0.00 H new ATOM 0 HG21 VAL A 56 1.686 -7.085 0.162 1.00 0.00 H new ATOM 0 HG22 VAL A 56 2.058 -7.427 1.868 1.00 0.00 H new ATOM 0 HG23 VAL A 56 1.881 -5.744 1.316 1.00 0.00 H new ATOM 785 N GLU A 57 6.910 -6.849 2.098 1.00 0.00 N ATOM 786 CA GLU A 57 8.324 -6.923 1.766 1.00 0.00 C ATOM 787 C GLU A 57 8.527 -7.782 0.497 1.00 0.00 C ATOM 788 O GLU A 57 8.918 -8.949 0.541 1.00 0.00 O ATOM 789 CB GLU A 57 9.118 -7.381 2.999 1.00 0.00 C ATOM 790 CG GLU A 57 10.535 -6.832 2.919 1.00 0.00 C ATOM 791 CD GLU A 57 11.330 -7.148 4.195 1.00 0.00 C ATOM 792 OE1 GLU A 57 11.922 -8.248 4.285 1.00 0.00 O ATOM 793 OE2 GLU A 57 11.368 -6.291 5.108 1.00 0.00 O ATOM 0 H GLU A 57 6.648 -7.454 2.876 1.00 0.00 H new ATOM 0 HA GLU A 57 8.721 -5.941 1.509 1.00 0.00 H new ATOM 0 HB2 GLU A 57 8.631 -7.031 3.909 1.00 0.00 H new ATOM 0 HB3 GLU A 57 9.140 -8.470 3.048 1.00 0.00 H new ATOM 0 HG2 GLU A 57 11.045 -7.260 2.055 1.00 0.00 H new ATOM 0 HG3 GLU A 57 10.501 -5.753 2.767 1.00 0.00 H new ATOM 894 N GLY A 65 2.443 -8.670 -4.566 1.00 0.00 N ATOM 895 CA GLY A 65 2.260 -7.834 -5.762 1.00 0.00 C ATOM 896 C GLY A 65 2.179 -8.618 -7.078 1.00 0.00 C ATOM 897 O GLY A 65 1.535 -8.159 -8.029 1.00 0.00 O ATOM 0 HA2 GLY A 65 1.348 -7.249 -5.645 1.00 0.00 H new ATOM 0 HA3 GLY A 65 3.087 -7.126 -5.825 1.00 0.00 H new ATOM 901 N ARG A 66 2.729 -9.840 -7.114 1.00 0.00 N ATOM 902 CA ARG A 66 2.515 -10.785 -8.219 1.00 0.00 C ATOM 903 C ARG A 66 1.039 -11.201 -8.314 1.00 0.00 C ATOM 904 O ARG A 66 0.464 -11.181 -9.399 1.00 0.00 O ATOM 905 CB ARG A 66 3.453 -11.995 -8.029 1.00 0.00 C ATOM 906 CG ARG A 66 3.404 -12.959 -9.226 1.00 0.00 C ATOM 907 CD ARG A 66 4.367 -14.144 -9.076 1.00 0.00 C ATOM 908 NE ARG A 66 5.775 -13.731 -9.211 1.00 0.00 N ATOM 909 CZ ARG A 66 6.830 -14.535 -9.204 1.00 0.00 C ATOM 910 NH1 ARG A 66 6.716 -15.837 -9.024 1.00 0.00 N ATOM 911 NH2 ARG A 66 8.036 -14.037 -9.372 1.00 0.00 N ATOM 0 H ARG A 66 3.335 -10.201 -6.377 1.00 0.00 H new ATOM 0 HA ARG A 66 2.756 -10.305 -9.167 1.00 0.00 H new ATOM 0 HB2 ARG A 66 4.475 -11.642 -7.890 1.00 0.00 H new ATOM 0 HB3 ARG A 66 3.174 -12.530 -7.121 1.00 0.00 H new ATOM 0 HG2 ARG A 66 2.388 -13.335 -9.342 1.00 0.00 H new ATOM 0 HG3 ARG A 66 3.647 -12.412 -10.137 1.00 0.00 H new ATOM 0 HD2 ARG A 66 4.218 -14.611 -8.103 1.00 0.00 H new ATOM 0 HD3 ARG A 66 4.136 -14.897 -9.830 1.00 0.00 H new ATOM 0 HE ARG A 66 5.955 -12.733 -9.320 1.00 0.00 H new ATOM 0 HH11 ARG A 66 5.796 -16.254 -8.885 1.00 0.00 H new ATOM 0 HH12 ARG A 66 7.548 -16.427 -9.024 1.00 0.00 H new ATOM 0 HH21 ARG A 66 8.159 -13.034 -9.507 1.00 0.00 H new ATOM 0 HH22 ARG A 66 8.848 -14.654 -9.367 1.00 0.00 H new ATOM 922 N SER A 67 0.389 -11.468 -7.181 1.00 0.00 N ATOM 923 CA SER A 67 -1.027 -11.876 -7.085 1.00 0.00 C ATOM 924 C SER A 67 -2.017 -10.698 -7.131 1.00 0.00 C ATOM 925 O SER A 67 -3.232 -10.905 -7.180 1.00 0.00 O ATOM 926 CB SER A 67 -1.239 -12.673 -5.787 1.00 0.00 C ATOM 927 OG SER A 67 -0.233 -13.663 -5.587 1.00 0.00 O ATOM 0 H SER A 67 0.843 -11.406 -6.270 1.00 0.00 H new ATOM 0 HA SER A 67 -1.235 -12.489 -7.962 1.00 0.00 H new ATOM 0 HB2 SER A 67 -1.244 -11.987 -4.940 1.00 0.00 H new ATOM 0 HB3 SER A 67 -2.217 -13.153 -5.814 1.00 0.00 H new ATOM 0 HG SER A 67 -0.408 -14.142 -4.750 1.00 0.00 H new ATOM 932 N PHE A 68 -1.517 -9.456 -7.131 1.00 0.00 N ATOM 933 CA PHE A 68 -2.242 -8.262 -7.576 1.00 0.00 C ATOM 934 C PHE A 68 -1.946 -7.889 -9.037 1.00 0.00 C ATOM 935 O PHE A 68 -2.569 -6.956 -9.551 1.00 0.00 O ATOM 936 CB PHE A 68 -1.941 -7.086 -6.636 1.00 0.00 C ATOM 937 CG PHE A 68 -2.758 -7.145 -5.370 1.00 0.00 C ATOM 938 CD1 PHE A 68 -2.277 -7.843 -4.255 1.00 0.00 C ATOM 939 CD2 PHE A 68 -3.999 -6.488 -5.300 1.00 0.00 C ATOM 940 CE1 PHE A 68 -3.026 -7.889 -3.068 1.00 0.00 C ATOM 941 CE2 PHE A 68 -4.753 -6.525 -4.117 1.00 0.00 C ATOM 942 CZ PHE A 68 -4.267 -7.228 -3.000 1.00 0.00 C ATOM 0 H PHE A 68 -0.570 -9.250 -6.812 1.00 0.00 H new ATOM 0 HA PHE A 68 -3.306 -8.496 -7.534 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -0.881 -7.088 -6.383 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -2.143 -6.148 -7.154 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -1.324 -8.349 -4.308 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -4.374 -5.953 -6.160 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -2.652 -8.429 -2.211 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -5.704 -6.015 -4.064 1.00 0.00 H new ATOM 0 HZ PHE A 68 -4.846 -7.261 -2.089 1.00 0.00 H new ATOM 951 N GLN A 69 -1.029 -8.608 -9.708 1.00 0.00 N ATOM 952 CA GLN A 69 -0.651 -8.416 -11.114 1.00 0.00 C ATOM 953 C GLN A 69 -0.148 -6.974 -11.355 1.00 0.00 C ATOM 954 O GLN A 69 -0.552 -6.300 -12.299 1.00 0.00 O ATOM 955 CB GLN A 69 -1.792 -8.883 -12.043 1.00 0.00 C ATOM 956 CG GLN A 69 -2.096 -10.396 -11.940 1.00 0.00 C ATOM 957 CD GLN A 69 -2.843 -10.887 -10.696 1.00 0.00 C ATOM 958 OE1 GLN A 69 -2.567 -11.953 -10.161 1.00 0.00 O ATOM 959 NE2 GLN A 69 -3.805 -10.159 -10.166 1.00 0.00 N ATOM 0 H GLN A 69 -0.512 -9.368 -9.266 1.00 0.00 H new ATOM 0 HA GLN A 69 0.200 -9.049 -11.367 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -2.696 -8.322 -11.804 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -1.531 -8.643 -13.074 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -2.678 -10.682 -12.816 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -1.149 -10.933 -11.997 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -4.060 -9.266 -10.587 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -4.295 -10.489 -9.334 1.00 0.00 H new ATOM 966 N VAL A 70 0.681 -6.488 -10.427 1.00 0.00 N ATOM 967 CA VAL A 70 1.179 -5.102 -10.311 1.00 0.00 C ATOM 968 C VAL A 70 1.885 -4.587 -11.578 1.00 0.00 C ATOM 969 O VAL A 70 2.628 -5.316 -12.237 1.00 0.00 O ATOM 970 CB VAL A 70 2.085 -5.018 -9.057 1.00 0.00 C ATOM 971 CG1 VAL A 70 3.064 -3.836 -9.046 1.00 0.00 C ATOM 972 CG2 VAL A 70 1.209 -4.937 -7.799 1.00 0.00 C ATOM 0 H VAL A 70 1.050 -7.085 -9.686 1.00 0.00 H new ATOM 0 HA VAL A 70 0.323 -4.436 -10.199 1.00 0.00 H new ATOM 0 HB VAL A 70 2.694 -5.922 -9.077 1.00 0.00 H new ATOM 0 HG11 VAL A 70 3.655 -3.861 -8.130 1.00 0.00 H new ATOM 0 HG12 VAL A 70 3.728 -3.905 -9.908 1.00 0.00 H new ATOM 0 HG13 VAL A 70 2.506 -2.901 -9.092 1.00 0.00 H new ATOM 0 HG21 VAL A 70 1.845 -4.878 -6.916 1.00 0.00 H new ATOM 0 HG22 VAL A 70 0.578 -4.050 -7.852 1.00 0.00 H new ATOM 0 HG23 VAL A 70 0.581 -5.826 -7.735 1.00 0.00 H new ATOM 982 N LYS A 71 1.662 -3.301 -11.905 1.00 0.00 N ATOM 983 CA LYS A 71 2.214 -2.623 -13.089 1.00 0.00 C ATOM 984 C LYS A 71 3.720 -2.302 -12.938 1.00 0.00 C ATOM 985 O LYS A 71 4.542 -2.826 -13.693 1.00 0.00 O ATOM 986 CB LYS A 71 1.412 -1.330 -13.362 1.00 0.00 C ATOM 987 CG LYS A 71 0.109 -1.476 -14.173 1.00 0.00 C ATOM 988 CD LYS A 71 -1.072 -2.126 -13.446 1.00 0.00 C ATOM 989 CE LYS A 71 -1.093 -3.651 -13.581 1.00 0.00 C ATOM 990 NZ LYS A 71 -1.562 -4.117 -14.914 1.00 0.00 N ATOM 0 H LYS A 71 1.077 -2.689 -11.336 1.00 0.00 H new ATOM 0 HA LYS A 71 2.121 -3.304 -13.935 1.00 0.00 H new ATOM 0 HB2 LYS A 71 1.165 -0.875 -12.403 1.00 0.00 H new ATOM 0 HB3 LYS A 71 2.063 -0.632 -13.888 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -0.198 -0.485 -14.508 1.00 0.00 H new ATOM 0 HG3 LYS A 71 0.326 -2.062 -15.066 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -1.031 -1.861 -12.389 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -2.003 -1.719 -13.841 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -0.090 -4.039 -13.400 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -1.740 -4.068 -12.809 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -1.553 -5.157 -14.941 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -2.530 -3.775 -15.081 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -0.931 -3.746 -15.653 1.00 0.00 H new ATOM 1000 N LEU A 72 4.071 -1.452 -11.965 1.00 0.00 N ATOM 1001 CA LEU A 72 5.446 -1.122 -11.569 1.00 0.00 C ATOM 1002 C LEU A 72 5.597 -1.444 -10.079 1.00 0.00 C ATOM 1003 O LEU A 72 4.682 -1.178 -9.303 1.00 0.00 O ATOM 1004 CB LEU A 72 5.727 0.368 -11.844 1.00 0.00 C ATOM 1005 CG LEU A 72 7.221 0.762 -11.820 1.00 0.00 C ATOM 1006 CD1 LEU A 72 7.926 0.299 -13.098 1.00 0.00 C ATOM 1007 CD2 LEU A 72 7.380 2.281 -11.668 1.00 0.00 C ATOM 0 H LEU A 72 3.376 -0.955 -11.409 1.00 0.00 H new ATOM 0 HA LEU A 72 6.165 -1.705 -12.144 1.00 0.00 H new ATOM 0 HB2 LEU A 72 5.313 0.627 -12.819 1.00 0.00 H new ATOM 0 HB3 LEU A 72 5.196 0.966 -11.103 1.00 0.00 H new ATOM 0 HG LEU A 72 7.680 0.269 -10.963 1.00 0.00 H new ATOM 0 HD11 LEU A 72 8.976 0.587 -13.059 1.00 0.00 H new ATOM 0 HD12 LEU A 72 7.850 -0.785 -13.183 1.00 0.00 H new ATOM 0 HD13 LEU A 72 7.454 0.765 -13.963 1.00 0.00 H new ATOM 0 HD21 LEU A 72 8.440 2.536 -11.653 1.00 0.00 H new ATOM 0 HD22 LEU A 72 6.897 2.783 -12.506 1.00 0.00 H new ATOM 0 HD23 LEU A 72 6.916 2.604 -10.736 1.00 0.00 H new ATOM 1018 N TRP A 73 6.735 -2.003 -9.666 1.00 0.00 N ATOM 1019 CA TRP A 73 6.905 -2.570 -8.322 1.00 0.00 C ATOM 1020 C TRP A 73 6.477 -1.674 -7.137 1.00 0.00 C ATOM 1021 O TRP A 73 5.821 -2.209 -6.239 1.00 0.00 O ATOM 1022 CB TRP A 73 8.358 -3.016 -8.195 1.00 0.00 C ATOM 1023 CG TRP A 73 8.673 -3.829 -6.982 1.00 0.00 C ATOM 1024 CD1 TRP A 73 8.312 -5.111 -6.748 1.00 0.00 C ATOM 1025 CD2 TRP A 73 9.458 -3.417 -5.835 1.00 0.00 C ATOM 1026 NE1 TRP A 73 8.859 -5.530 -5.547 1.00 0.00 N ATOM 1027 CE2 TRP A 73 9.623 -4.534 -4.967 1.00 0.00 C ATOM 1028 CE3 TRP A 73 10.072 -2.201 -5.475 1.00 0.00 C ATOM 1029 CZ2 TRP A 73 10.447 -4.470 -3.834 1.00 0.00 C ATOM 1030 CZ3 TRP A 73 10.859 -2.118 -4.316 1.00 0.00 C ATOM 1031 CH2 TRP A 73 11.088 -3.255 -3.527 1.00 0.00 C ATOM 0 H TRP A 73 7.567 -2.077 -10.252 1.00 0.00 H new ATOM 0 HA TRP A 73 6.210 -3.406 -8.241 1.00 0.00 H new ATOM 0 HB2 TRP A 73 8.621 -3.596 -9.079 1.00 0.00 H new ATOM 0 HB3 TRP A 73 8.994 -2.131 -8.194 1.00 0.00 H new ATOM 0 HD1 TRP A 73 7.694 -5.714 -7.397 1.00 0.00 H new ATOM 0 HE1 TRP A 73 8.717 -6.455 -5.142 1.00 0.00 H new ATOM 0 HE3 TRP A 73 9.936 -1.327 -6.095 1.00 0.00 H new ATOM 0 HZ2 TRP A 73 10.587 -5.338 -3.207 1.00 0.00 H new ATOM 0 HZ3 TRP A 73 11.292 -1.171 -4.029 1.00 0.00 H new ATOM 0 HH2 TRP A 73 11.758 -3.198 -2.682 1.00 0.00 H new ATOM 1041 N PRO A 74 6.764 -0.348 -7.097 1.00 0.00 N ATOM 1042 CA PRO A 74 6.260 0.548 -6.060 1.00 0.00 C ATOM 1043 C PRO A 74 4.795 0.936 -6.350 1.00 0.00 C ATOM 1044 O PRO A 74 4.489 2.054 -6.785 1.00 0.00 O ATOM 1045 CB PRO A 74 7.219 1.743 -6.049 1.00 0.00 C ATOM 1046 CG PRO A 74 7.601 1.855 -7.526 1.00 0.00 C ATOM 1047 CD PRO A 74 7.683 0.393 -7.948 1.00 0.00 C ATOM 0 HA PRO A 74 6.236 0.085 -5.073 1.00 0.00 H new ATOM 0 HB2 PRO A 74 6.738 2.649 -5.682 1.00 0.00 H new ATOM 0 HB3 PRO A 74 8.087 1.564 -5.415 1.00 0.00 H new ATOM 0 HG2 PRO A 74 6.854 2.403 -8.100 1.00 0.00 H new ATOM 0 HG3 PRO A 74 8.551 2.372 -7.663 1.00 0.00 H new ATOM 0 HD2 PRO A 74 7.413 0.279 -8.998 1.00 0.00 H new ATOM 0 HD3 PRO A 74 8.700 0.016 -7.837 1.00 0.00 H new ATOM 1052 N THR A 75 3.890 -0.016 -6.099 1.00 0.00 N ATOM 1053 CA THR A 75 2.432 0.126 -6.197 1.00 0.00 C ATOM 1054 C THR A 75 1.834 -0.134 -4.828 1.00 0.00 C ATOM 1055 O THR A 75 2.351 -0.935 -4.043 1.00 0.00 O ATOM 1056 CB THR A 75 1.862 -0.879 -7.211 1.00 0.00 C ATOM 1057 OG1 THR A 75 2.233 -0.466 -8.497 1.00 0.00 O ATOM 1058 CG2 THR A 75 0.330 -0.980 -7.249 1.00 0.00 C ATOM 0 H THR A 75 4.168 -0.953 -5.807 1.00 0.00 H new ATOM 0 HA THR A 75 2.183 1.132 -6.535 1.00 0.00 H new ATOM 0 HB THR A 75 2.258 -1.846 -6.901 1.00 0.00 H new ATOM 0 HG1 THR A 75 3.154 -0.748 -8.678 1.00 0.00 H new ATOM 0 HG21 THR A 75 0.032 -1.716 -7.996 1.00 0.00 H new ATOM 0 HG22 THR A 75 -0.039 -1.287 -6.270 1.00 0.00 H new ATOM 0 HG23 THR A 75 -0.092 -0.009 -7.507 1.00 0.00 H new ATOM 1066 N PHE A 76 0.708 0.515 -4.563 1.00 0.00 N ATOM 1067 CA PHE A 76 -0.114 0.286 -3.386 1.00 0.00 C ATOM 1068 C PHE A 76 -1.597 0.226 -3.786 1.00 0.00 C ATOM 1069 O PHE A 76 -2.116 1.124 -4.453 1.00 0.00 O ATOM 1070 CB PHE A 76 0.189 1.335 -2.304 1.00 0.00 C ATOM 1071 CG PHE A 76 0.647 2.674 -2.802 1.00 0.00 C ATOM 1072 CD1 PHE A 76 1.997 2.857 -3.182 1.00 0.00 C ATOM 1073 CD2 PHE A 76 -0.271 3.729 -2.896 1.00 0.00 C ATOM 1074 CE1 PHE A 76 2.416 4.088 -3.702 1.00 0.00 C ATOM 1075 CE2 PHE A 76 0.164 4.968 -3.384 1.00 0.00 C ATOM 1076 CZ PHE A 76 1.491 5.133 -3.815 1.00 0.00 C ATOM 0 H PHE A 76 0.332 1.235 -5.180 1.00 0.00 H new ATOM 0 HA PHE A 76 0.130 -0.680 -2.944 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -0.709 1.480 -1.703 1.00 0.00 H new ATOM 0 HB3 PHE A 76 0.955 0.934 -1.640 1.00 0.00 H new ATOM 0 HD1 PHE A 76 2.704 2.048 -3.071 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -1.299 3.589 -2.596 1.00 0.00 H new ATOM 0 HE1 PHE A 76 3.441 4.230 -4.012 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -0.523 5.800 -3.429 1.00 0.00 H new ATOM 0 HZ PHE A 76 1.801 6.077 -4.238 1.00 0.00 H new ATOM 1085 N VAL A 77 -2.257 -0.869 -3.397 1.00 0.00 N ATOM 1086 CA VAL A 77 -3.637 -1.225 -3.768 1.00 0.00 C ATOM 1087 C VAL A 77 -4.545 -0.948 -2.575 1.00 0.00 C ATOM 1088 O VAL A 77 -4.329 -1.484 -1.485 1.00 0.00 O ATOM 1089 CB VAL A 77 -3.762 -2.692 -4.236 1.00 0.00 C ATOM 1090 CG1 VAL A 77 -5.173 -2.982 -4.763 1.00 0.00 C ATOM 1091 CG2 VAL A 77 -2.763 -2.997 -5.361 1.00 0.00 C ATOM 0 H VAL A 77 -1.828 -1.565 -2.787 1.00 0.00 H new ATOM 0 HA VAL A 77 -3.940 -0.614 -4.618 1.00 0.00 H new ATOM 0 HB VAL A 77 -3.551 -3.321 -3.371 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -5.234 -4.021 -5.086 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -5.901 -2.805 -3.971 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -5.388 -2.326 -5.607 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -2.872 -4.036 -5.672 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -2.959 -2.342 -6.210 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -1.748 -2.830 -5.001 1.00 0.00 H new ATOM 1101 N PHE A 78 -5.546 -0.093 -2.777 1.00 0.00 N ATOM 1102 CA PHE A 78 -6.529 0.265 -1.757 1.00 0.00 C ATOM 1103 C PHE A 78 -7.624 -0.801 -1.716 1.00 0.00 C ATOM 1104 O PHE A 78 -8.328 -1.026 -2.707 1.00 0.00 O ATOM 1105 CB PHE A 78 -7.120 1.664 -2.029 1.00 0.00 C ATOM 1106 CG PHE A 78 -6.130 2.817 -1.967 1.00 0.00 C ATOM 1107 CD1 PHE A 78 -5.235 3.019 -3.034 1.00 0.00 C ATOM 1108 CD2 PHE A 78 -6.043 3.647 -0.829 1.00 0.00 C ATOM 1109 CE1 PHE A 78 -4.250 4.011 -2.958 1.00 0.00 C ATOM 1110 CE2 PHE A 78 -5.074 4.666 -0.772 1.00 0.00 C ATOM 1111 CZ PHE A 78 -4.181 4.849 -1.841 1.00 0.00 C ATOM 0 H PHE A 78 -5.699 0.378 -3.669 1.00 0.00 H new ATOM 0 HA PHE A 78 -6.039 0.306 -0.784 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -7.583 1.658 -3.016 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -7.914 1.851 -1.306 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -5.309 2.404 -3.919 1.00 0.00 H new ATOM 0 HD2 PHE A 78 -6.721 3.500 -0.001 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -3.541 4.129 -3.764 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -5.017 5.308 0.095 1.00 0.00 H new ATOM 0 HZ PHE A 78 -3.442 5.636 -1.800 1.00 0.00 H new ATOM 1120 N LEU A 79 -7.765 -1.476 -0.577 1.00 0.00 N ATOM 1121 CA LEU A 79 -8.795 -2.478 -0.314 1.00 0.00 C ATOM 1122 C LEU A 79 -9.850 -1.923 0.641 1.00 0.00 C ATOM 1123 O LEU A 79 -9.566 -1.077 1.493 1.00 0.00 O ATOM 1124 CB LEU A 79 -8.205 -3.772 0.272 1.00 0.00 C ATOM 1125 CG LEU A 79 -7.620 -4.726 -0.775 1.00 0.00 C ATOM 1126 CD1 LEU A 79 -6.472 -4.106 -1.555 1.00 0.00 C ATOM 1127 CD2 LEU A 79 -7.151 -5.993 -0.074 1.00 0.00 C ATOM 0 H LEU A 79 -7.141 -1.334 0.218 1.00 0.00 H new ATOM 0 HA LEU A 79 -9.256 -2.719 -1.272 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -7.424 -3.511 0.986 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -8.984 -4.294 0.828 1.00 0.00 H new ATOM 0 HG LEU A 79 -8.403 -4.953 -1.499 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -6.096 -4.825 -2.282 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -6.824 -3.215 -2.075 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -5.671 -3.832 -0.868 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -6.732 -6.681 -0.808 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -6.389 -5.740 0.663 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -7.996 -6.466 0.426 1.00 0.00 H new ATOM 1138 N ARG A 80 -11.059 -2.464 0.509 1.00 0.00 N ATOM 1139 CA ARG A 80 -12.212 -2.217 1.383 1.00 0.00 C ATOM 1140 C ARG A 80 -13.267 -3.298 1.127 1.00 0.00 C ATOM 1141 O ARG A 80 -13.483 -3.689 -0.018 1.00 0.00 O ATOM 1142 CB ARG A 80 -12.751 -0.789 1.174 1.00 0.00 C ATOM 1143 CG ARG A 80 -13.468 -0.231 2.417 1.00 0.00 C ATOM 1144 CD ARG A 80 -13.710 1.280 2.280 1.00 0.00 C ATOM 1145 NE ARG A 80 -14.340 1.829 3.494 1.00 0.00 N ATOM 1146 CZ ARG A 80 -14.338 3.097 3.898 1.00 0.00 C ATOM 1147 NH1 ARG A 80 -13.731 4.059 3.239 1.00 0.00 N ATOM 1148 NH2 ARG A 80 -14.974 3.424 5.003 1.00 0.00 N ATOM 0 H ARG A 80 -11.275 -3.117 -0.244 1.00 0.00 H new ATOM 0 HA ARG A 80 -11.917 -2.279 2.431 1.00 0.00 H new ATOM 0 HB2 ARG A 80 -11.924 -0.129 0.911 1.00 0.00 H new ATOM 0 HB3 ARG A 80 -13.442 -0.787 0.331 1.00 0.00 H new ATOM 0 HG2 ARG A 80 -14.420 -0.745 2.554 1.00 0.00 H new ATOM 0 HG3 ARG A 80 -12.869 -0.428 3.306 1.00 0.00 H new ATOM 0 HD2 ARG A 80 -12.763 1.788 2.097 1.00 0.00 H new ATOM 0 HD3 ARG A 80 -14.347 1.473 1.417 1.00 0.00 H new ATOM 0 HE ARG A 80 -14.832 1.164 4.090 1.00 0.00 H new ATOM 0 HH11 ARG A 80 -13.231 3.849 2.375 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -13.760 5.016 3.592 1.00 0.00 H new ATOM 0 HH21 ARG A 80 -15.462 2.708 5.541 1.00 0.00 H new ATOM 0 HH22 ARG A 80 -14.978 4.393 5.321 1.00 0.00 H new ATOM 1159 N ASP A 81 -13.856 -3.827 2.193 1.00 0.00 N ATOM 1160 CA ASP A 81 -14.808 -4.960 2.173 1.00 0.00 C ATOM 1161 C ASP A 81 -14.160 -6.287 1.694 1.00 0.00 C ATOM 1162 O ASP A 81 -14.840 -7.218 1.253 1.00 0.00 O ATOM 1163 CB ASP A 81 -16.075 -4.586 1.372 1.00 0.00 C ATOM 1164 CG ASP A 81 -17.278 -5.496 1.667 1.00 0.00 C ATOM 1165 OD1 ASP A 81 -17.613 -5.692 2.862 1.00 0.00 O ATOM 1166 OD2 ASP A 81 -17.928 -5.975 0.706 1.00 0.00 O ATOM 0 H ASP A 81 -13.686 -3.475 3.135 1.00 0.00 H new ATOM 0 HA ASP A 81 -15.112 -5.153 3.202 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -16.346 -3.554 1.597 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -15.848 -4.631 0.307 1.00 0.00 H new ATOM 1170 N GLY A 82 -12.818 -6.368 1.748 1.00 0.00 N ATOM 1171 CA GLY A 82 -12.018 -7.520 1.314 1.00 0.00 C ATOM 1172 C GLY A 82 -11.634 -7.507 -0.170 1.00 0.00 C ATOM 1173 O GLY A 82 -10.835 -8.345 -0.591 1.00 0.00 O ATOM 0 H GLY A 82 -12.244 -5.605 2.108 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -11.107 -7.559 1.911 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -12.576 -8.433 1.524 1.00 0.00 H new ATOM 1177 N ARG A 83 -12.171 -6.567 -0.956 1.00 0.00 N ATOM 1178 CA ARG A 83 -11.916 -6.379 -2.382 1.00 0.00 C ATOM 1179 C ARG A 83 -11.040 -5.137 -2.609 1.00 0.00 C ATOM 1180 O ARG A 83 -11.052 -4.194 -1.819 1.00 0.00 O ATOM 1181 CB ARG A 83 -13.270 -6.217 -3.107 1.00 0.00 C ATOM 1182 CG ARG A 83 -13.208 -6.722 -4.560 1.00 0.00 C ATOM 1183 CD ARG A 83 -14.339 -6.140 -5.419 1.00 0.00 C ATOM 1184 NE ARG A 83 -14.058 -4.731 -5.743 1.00 0.00 N ATOM 1185 CZ ARG A 83 -14.861 -3.840 -6.303 1.00 0.00 C ATOM 1186 NH1 ARG A 83 -16.099 -4.124 -6.657 1.00 0.00 N ATOM 1187 NH2 ARG A 83 -14.396 -2.632 -6.511 1.00 0.00 N ATOM 0 H ARG A 83 -12.831 -5.881 -0.590 1.00 0.00 H new ATOM 0 HA ARG A 83 -11.385 -7.245 -2.778 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -14.040 -6.766 -2.565 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -13.562 -5.167 -3.100 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -12.246 -6.453 -4.997 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -13.269 -7.810 -4.569 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -14.443 -6.718 -6.337 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -15.287 -6.216 -4.886 1.00 0.00 H new ATOM 0 HE ARG A 83 -13.123 -4.399 -5.505 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -16.472 -5.061 -6.502 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -16.684 -3.407 -7.086 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -13.439 -2.401 -6.243 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -14.991 -1.924 -6.941 1.00 0.00 H new ATOM 1198 N GLU A 84 -10.315 -5.106 -3.722 1.00 0.00 N ATOM 1199 CA GLU A 84 -9.695 -3.885 -4.257 1.00 0.00 C ATOM 1200 C GLU A 84 -10.782 -2.869 -4.644 1.00 0.00 C ATOM 1201 O GLU A 84 -11.692 -3.192 -5.406 1.00 0.00 O ATOM 1202 CB GLU A 84 -8.785 -4.243 -5.449 1.00 0.00 C ATOM 1203 CG GLU A 84 -8.341 -3.039 -6.296 1.00 0.00 C ATOM 1204 CD GLU A 84 -7.336 -3.396 -7.404 1.00 0.00 C ATOM 1205 OE1 GLU A 84 -7.018 -4.589 -7.617 1.00 0.00 O ATOM 1206 OE2 GLU A 84 -6.845 -2.464 -8.083 1.00 0.00 O ATOM 0 H GLU A 84 -10.135 -5.934 -4.289 1.00 0.00 H new ATOM 0 HA GLU A 84 -9.072 -3.420 -3.493 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -7.898 -4.753 -5.073 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -9.310 -4.949 -6.092 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -9.220 -2.582 -6.750 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -7.895 -2.291 -5.641 1.00 0.00 H new ATOM 1211 N VAL A 85 -10.662 -1.635 -4.151 1.00 0.00 N ATOM 1212 CA VAL A 85 -11.491 -0.481 -4.556 1.00 0.00 C ATOM 1213 C VAL A 85 -10.747 0.461 -5.521 1.00 0.00 C ATOM 1214 O VAL A 85 -11.394 1.189 -6.271 1.00 0.00 O ATOM 1215 CB VAL A 85 -11.998 0.323 -3.339 1.00 0.00 C ATOM 1216 CG1 VAL A 85 -13.076 -0.488 -2.609 1.00 0.00 C ATOM 1217 CG2 VAL A 85 -10.887 0.699 -2.343 1.00 0.00 C ATOM 0 H VAL A 85 -9.970 -1.397 -3.440 1.00 0.00 H new ATOM 0 HA VAL A 85 -12.350 -0.902 -5.079 1.00 0.00 H new ATOM 0 HB VAL A 85 -12.402 1.258 -3.728 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -13.436 0.077 -1.749 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -13.906 -0.684 -3.288 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -12.653 -1.434 -2.271 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -11.316 1.262 -1.514 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -10.418 -0.208 -1.961 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -10.138 1.310 -2.847 1.00 0.00 H new ATOM 1227 N ALA A 86 -9.412 0.420 -5.520 1.00 0.00 N ATOM 1228 CA ALA A 86 -8.511 1.236 -6.337 1.00 0.00 C ATOM 1229 C ALA A 86 -7.055 0.794 -6.157 1.00 0.00 C ATOM 1230 O ALA A 86 -6.756 -0.036 -5.303 1.00 0.00 O ATOM 1231 CB ALA A 86 -8.643 2.701 -5.901 1.00 0.00 C ATOM 0 H ALA A 86 -8.902 -0.221 -4.913 1.00 0.00 H new ATOM 0 HA ALA A 86 -8.783 1.117 -7.386 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -7.977 3.321 -6.501 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -9.672 3.031 -6.042 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -8.374 2.793 -4.849 1.00 0.00 H new ATOM 1237 N ARG A 87 -6.141 1.436 -6.885 1.00 0.00 N ATOM 1238 CA ARG A 87 -4.707 1.397 -6.616 1.00 0.00 C ATOM 1239 C ARG A 87 -4.008 2.640 -7.165 1.00 0.00 C ATOM 1240 O ARG A 87 -4.493 3.279 -8.100 1.00 0.00 O ATOM 1241 CB ARG A 87 -4.087 0.102 -7.144 1.00 0.00 C ATOM 1242 CG ARG A 87 -4.126 -0.051 -8.668 1.00 0.00 C ATOM 1243 CD ARG A 87 -3.347 -1.313 -9.041 1.00 0.00 C ATOM 1244 NE ARG A 87 -4.119 -2.551 -8.832 1.00 0.00 N ATOM 1245 CZ ARG A 87 -3.711 -3.789 -9.078 1.00 0.00 C ATOM 1246 NH1 ARG A 87 -2.509 -4.054 -9.549 1.00 0.00 N ATOM 1247 NH2 ARG A 87 -4.517 -4.798 -8.854 1.00 0.00 N ATOM 0 H ARG A 87 -6.384 2.008 -7.694 1.00 0.00 H new ATOM 0 HA ARG A 87 -4.561 1.405 -5.536 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -3.050 0.051 -6.814 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -4.607 -0.744 -6.694 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -5.156 -0.123 -9.017 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -3.687 0.823 -9.149 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -3.046 -1.251 -10.087 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -2.433 -1.357 -8.449 1.00 0.00 H new ATOM 0 HE ARG A 87 -5.063 -2.445 -8.460 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -1.856 -3.293 -9.737 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -2.232 -5.020 -9.725 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -5.456 -4.630 -8.491 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -4.206 -5.751 -9.042 1.00 0.00 H new ATOM 1258 N VAL A 88 -2.848 2.954 -6.597 1.00 0.00 N ATOM 1259 CA VAL A 88 -1.951 4.030 -7.048 1.00 0.00 C ATOM 1260 C VAL A 88 -0.566 3.419 -7.269 1.00 0.00 C ATOM 1261 O VAL A 88 -0.144 2.552 -6.508 1.00 0.00 O ATOM 1262 CB VAL A 88 -1.900 5.159 -5.991 1.00 0.00 C ATOM 1263 CG1 VAL A 88 -0.848 6.242 -6.317 1.00 0.00 C ATOM 1264 CG2 VAL A 88 -3.240 5.867 -5.773 1.00 0.00 C ATOM 0 H VAL A 88 -2.488 2.455 -5.783 1.00 0.00 H new ATOM 0 HA VAL A 88 -2.312 4.471 -7.977 1.00 0.00 H new ATOM 0 HB VAL A 88 -1.624 4.632 -5.078 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -0.860 7.006 -5.540 1.00 0.00 H new ATOM 0 HG12 VAL A 88 0.141 5.786 -6.363 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -1.082 6.699 -7.279 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -3.122 6.645 -5.018 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -3.570 6.317 -6.709 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -3.983 5.144 -5.436 1.00 0.00 H new ATOM 1274 N VAL A 89 0.123 3.856 -8.320 1.00 0.00 N ATOM 1275 CA VAL A 89 1.432 3.351 -8.750 1.00 0.00 C ATOM 1276 C VAL A 89 2.335 4.523 -9.136 1.00 0.00 C ATOM 1277 O VAL A 89 1.872 5.471 -9.772 1.00 0.00 O ATOM 1278 CB VAL A 89 1.292 2.327 -9.907 1.00 0.00 C ATOM 1279 CG1 VAL A 89 0.407 2.812 -11.074 1.00 0.00 C ATOM 1280 CG2 VAL A 89 2.654 1.897 -10.477 1.00 0.00 C ATOM 0 H VAL A 89 -0.226 4.602 -8.922 1.00 0.00 H new ATOM 0 HA VAL A 89 1.894 2.819 -7.918 1.00 0.00 H new ATOM 0 HB VAL A 89 0.799 1.475 -9.439 1.00 0.00 H new ATOM 0 HG11 VAL A 89 0.360 2.039 -11.841 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -0.598 3.020 -10.707 1.00 0.00 H new ATOM 0 HG13 VAL A 89 0.832 3.721 -11.500 1.00 0.00 H new ATOM 0 HG21 VAL A 89 2.501 1.180 -11.284 1.00 0.00 H new ATOM 0 HG22 VAL A 89 3.179 2.771 -10.863 1.00 0.00 H new ATOM 0 HG23 VAL A 89 3.249 1.435 -9.689 1.00 0.00 H new ATOM 1290 N ARG A 90 3.617 4.453 -8.757 1.00 0.00 N ATOM 1291 CA ARG A 90 4.653 5.445 -9.090 1.00 0.00 C ATOM 1292 C ARG A 90 4.218 6.875 -8.651 1.00 0.00 C ATOM 1293 O ARG A 90 3.987 7.729 -9.517 1.00 0.00 O ATOM 1294 CB ARG A 90 4.993 5.334 -10.596 1.00 0.00 C ATOM 1295 CG ARG A 90 6.335 6.004 -10.940 1.00 0.00 C ATOM 1296 CD ARG A 90 6.583 5.994 -12.455 1.00 0.00 C ATOM 1297 NE ARG A 90 7.921 6.522 -12.776 1.00 0.00 N ATOM 1298 CZ ARG A 90 8.442 6.666 -13.987 1.00 0.00 C ATOM 1299 NH1 ARG A 90 7.771 6.355 -15.079 1.00 0.00 N ATOM 1300 NH2 ARG A 90 9.661 7.138 -14.124 1.00 0.00 N ATOM 0 H ARG A 90 3.975 3.682 -8.193 1.00 0.00 H new ATOM 0 HA ARG A 90 5.567 5.238 -8.533 1.00 0.00 H new ATOM 0 HB2 ARG A 90 5.030 4.283 -10.882 1.00 0.00 H new ATOM 0 HB3 ARG A 90 4.198 5.796 -11.181 1.00 0.00 H new ATOM 0 HG2 ARG A 90 6.337 7.031 -10.574 1.00 0.00 H new ATOM 0 HG3 ARG A 90 7.146 5.483 -10.432 1.00 0.00 H new ATOM 0 HD2 ARG A 90 6.489 4.977 -12.836 1.00 0.00 H new ATOM 0 HD3 ARG A 90 5.822 6.593 -12.955 1.00 0.00 H new ATOM 0 HE ARG A 90 8.504 6.805 -11.988 1.00 0.00 H new ATOM 0 HH11 ARG A 90 6.821 5.991 -15.007 1.00 0.00 H new ATOM 0 HH12 ARG A 90 8.202 6.478 -15.995 1.00 0.00 H new ATOM 0 HH21 ARG A 90 10.205 7.393 -13.300 1.00 0.00 H new ATOM 0 HH22 ARG A 90 10.063 7.249 -15.055 1.00 0.00 H new ATOM 1311 N PRO A 91 4.036 7.146 -7.334 1.00 0.00 N ATOM 1312 CA PRO A 91 3.470 8.400 -6.816 1.00 0.00 C ATOM 1313 C PRO A 91 4.294 9.609 -7.277 1.00 0.00 C ATOM 1314 O PRO A 91 5.507 9.655 -7.075 1.00 0.00 O ATOM 1315 CB PRO A 91 3.457 8.279 -5.294 1.00 0.00 C ATOM 1316 CG PRO A 91 4.486 7.187 -4.996 1.00 0.00 C ATOM 1317 CD PRO A 91 4.396 6.275 -6.220 1.00 0.00 C ATOM 0 HA PRO A 91 2.461 8.559 -7.196 1.00 0.00 H new ATOM 0 HB2 PRO A 91 3.727 9.221 -4.817 1.00 0.00 H new ATOM 0 HB3 PRO A 91 2.468 8.006 -4.925 1.00 0.00 H new ATOM 0 HG2 PRO A 91 5.487 7.600 -4.875 1.00 0.00 H new ATOM 0 HG3 PRO A 91 4.249 6.651 -4.077 1.00 0.00 H new ATOM 0 HD2 PRO A 91 5.346 5.774 -6.406 1.00 0.00 H new ATOM 0 HD3 PRO A 91 3.648 5.496 -6.074 1.00 0.00 H new ATOM 1322 N GLY A 92 3.632 10.597 -7.890 1.00 0.00 N ATOM 1323 CA GLY A 92 4.275 11.804 -8.425 1.00 0.00 C ATOM 1324 C GLY A 92 4.450 12.913 -7.382 1.00 0.00 C ATOM 1325 O GLY A 92 5.448 13.629 -7.398 1.00 0.00 O ATOM 0 H GLY A 92 2.622 10.581 -8.031 1.00 0.00 H new ATOM 0 HA2 GLY A 92 5.252 11.538 -8.829 1.00 0.00 H new ATOM 0 HA3 GLY A 92 3.680 12.186 -9.255 1.00 0.00 H new ATOM 1329 N SER A 93 3.498 13.037 -6.460 1.00 0.00 N ATOM 1330 CA SER A 93 3.435 14.060 -5.415 1.00 0.00 C ATOM 1331 C SER A 93 2.307 13.737 -4.415 1.00 0.00 C ATOM 1332 O SER A 93 1.363 13.006 -4.744 1.00 0.00 O ATOM 1333 CB SER A 93 3.181 15.441 -6.028 1.00 0.00 C ATOM 1334 OG SER A 93 1.909 15.504 -6.671 1.00 0.00 O ATOM 0 H SER A 93 2.708 12.394 -6.418 1.00 0.00 H new ATOM 0 HA SER A 93 4.392 14.068 -4.894 1.00 0.00 H new ATOM 0 HB2 SER A 93 3.233 16.201 -5.248 1.00 0.00 H new ATOM 0 HB3 SER A 93 3.966 15.670 -6.749 1.00 0.00 H new ATOM 0 HG SER A 93 1.778 16.398 -7.050 1.00 0.00 H new ATOM 1339 N ALA A 94 2.338 14.321 -3.211 1.00 0.00 N ATOM 1340 CA ALA A 94 1.236 14.215 -2.249 1.00 0.00 C ATOM 1341 C ALA A 94 -0.079 14.720 -2.868 1.00 0.00 C ATOM 1342 O ALA A 94 -1.122 14.144 -2.610 1.00 0.00 O ATOM 1343 CB ALA A 94 1.622 14.966 -0.966 1.00 0.00 C ATOM 0 H ALA A 94 3.125 14.878 -2.878 1.00 0.00 H new ATOM 0 HA ALA A 94 1.062 13.171 -1.987 1.00 0.00 H new ATOM 0 HB1 ALA A 94 0.809 14.894 -0.243 1.00 0.00 H new ATOM 0 HB2 ALA A 94 2.524 14.524 -0.543 1.00 0.00 H new ATOM 0 HB3 ALA A 94 1.807 16.014 -1.200 1.00 0.00 H new ATOM 1349 N SER A 95 -0.046 15.685 -3.786 1.00 0.00 N ATOM 1350 CA SER A 95 -1.241 16.149 -4.509 1.00 0.00 C ATOM 1351 C SER A 95 -1.898 15.065 -5.385 1.00 0.00 C ATOM 1352 O SER A 95 -3.098 15.142 -5.640 1.00 0.00 O ATOM 1353 CB SER A 95 -0.898 17.374 -5.377 1.00 0.00 C ATOM 1354 OG SER A 95 -0.242 18.386 -4.620 1.00 0.00 O ATOM 0 H SER A 95 0.810 16.172 -4.054 1.00 0.00 H new ATOM 0 HA SER A 95 -1.968 16.416 -3.743 1.00 0.00 H new ATOM 0 HB2 SER A 95 -0.259 17.067 -6.205 1.00 0.00 H new ATOM 0 HB3 SER A 95 -1.811 17.779 -5.813 1.00 0.00 H new ATOM 0 HG SER A 95 -0.037 19.148 -5.201 1.00 0.00 H new ATOM 1359 N VAL A 96 -1.153 14.037 -5.818 1.00 0.00 N ATOM 1360 CA VAL A 96 -1.673 12.859 -6.548 1.00 0.00 C ATOM 1361 C VAL A 96 -2.033 11.724 -5.582 1.00 0.00 C ATOM 1362 O VAL A 96 -3.076 11.084 -5.741 1.00 0.00 O ATOM 1363 CB VAL A 96 -0.638 12.375 -7.602 1.00 0.00 C ATOM 1364 CG1 VAL A 96 -1.034 11.052 -8.274 1.00 0.00 C ATOM 1365 CG2 VAL A 96 -0.437 13.435 -8.700 1.00 0.00 C ATOM 0 H VAL A 96 -0.145 13.996 -5.669 1.00 0.00 H new ATOM 0 HA VAL A 96 -2.584 13.157 -7.067 1.00 0.00 H new ATOM 0 HB VAL A 96 0.288 12.213 -7.050 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -0.270 10.769 -8.999 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -1.123 10.272 -7.518 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -1.990 11.174 -8.783 1.00 0.00 H new ATOM 0 HG21 VAL A 96 0.292 13.073 -9.426 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -1.386 13.624 -9.202 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -0.074 14.360 -8.251 1.00 0.00 H new ATOM 1375 N LEU A 97 -1.206 11.485 -4.560 1.00 0.00 N ATOM 1376 CA LEU A 97 -1.424 10.418 -3.584 1.00 0.00 C ATOM 1377 C LEU A 97 -2.614 10.734 -2.651 1.00 0.00 C ATOM 1378 O LEU A 97 -3.506 9.905 -2.510 1.00 0.00 O ATOM 1379 CB LEU A 97 -0.107 10.163 -2.824 1.00 0.00 C ATOM 1380 CG LEU A 97 0.279 8.669 -2.768 1.00 0.00 C ATOM 1381 CD1 LEU A 97 1.646 8.446 -2.136 1.00 0.00 C ATOM 1382 CD2 LEU A 97 -0.787 7.937 -1.957 1.00 0.00 C ATOM 0 H LEU A 97 -0.362 12.031 -4.387 1.00 0.00 H new ATOM 0 HA LEU A 97 -1.703 9.498 -4.098 1.00 0.00 H new ATOM 0 HB2 LEU A 97 0.697 10.722 -3.303 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -0.200 10.547 -1.808 1.00 0.00 H new ATOM 0 HG LEU A 97 0.336 8.287 -3.787 1.00 0.00 H new ATOM 0 HD11 LEU A 97 1.870 7.379 -2.121 1.00 0.00 H new ATOM 0 HD12 LEU A 97 2.405 8.968 -2.718 1.00 0.00 H new ATOM 0 HD13 LEU A 97 1.643 8.831 -1.116 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -0.538 6.877 -1.902 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -0.828 8.353 -0.950 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -1.757 8.057 -2.439 1.00 0.00 H new ATOM 1393 N GLU A 98 -2.679 11.942 -2.084 1.00 0.00 N ATOM 1394 CA GLU A 98 -3.782 12.390 -1.230 1.00 0.00 C ATOM 1395 C GLU A 98 -5.123 12.416 -1.991 1.00 0.00 C ATOM 1396 O GLU A 98 -6.154 12.070 -1.416 1.00 0.00 O ATOM 1397 CB GLU A 98 -3.544 13.795 -0.648 1.00 0.00 C ATOM 1398 CG GLU A 98 -2.380 14.039 0.319 1.00 0.00 C ATOM 1399 CD GLU A 98 -2.356 15.528 0.726 1.00 0.00 C ATOM 1400 OE1 GLU A 98 -3.171 15.929 1.592 1.00 0.00 O ATOM 1401 OE2 GLU A 98 -1.539 16.304 0.182 1.00 0.00 O ATOM 0 H GLU A 98 -1.954 12.648 -2.208 1.00 0.00 H new ATOM 0 HA GLU A 98 -3.826 11.664 -0.418 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -3.414 14.476 -1.489 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -4.459 14.092 -0.135 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -2.489 13.411 1.203 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -1.437 13.764 -0.153 1.00 0.00 H new ATOM 1406 N GLU A 99 -5.116 12.778 -3.282 1.00 0.00 N ATOM 1407 CA GLU A 99 -6.297 12.796 -4.164 1.00 0.00 C ATOM 1408 C GLU A 99 -6.933 11.404 -4.315 1.00 0.00 C ATOM 1409 O GLU A 99 -8.156 11.269 -4.384 1.00 0.00 O ATOM 1410 CB GLU A 99 -5.885 13.338 -5.544 1.00 0.00 C ATOM 1411 CG GLU A 99 -6.953 13.158 -6.633 1.00 0.00 C ATOM 1412 CD GLU A 99 -6.704 14.084 -7.832 1.00 0.00 C ATOM 1413 OE1 GLU A 99 -7.211 15.232 -7.826 1.00 0.00 O ATOM 1414 OE2 GLU A 99 -6.025 13.666 -8.802 1.00 0.00 O ATOM 0 H GLU A 99 -4.264 13.076 -3.758 1.00 0.00 H new ATOM 0 HA GLU A 99 -7.047 13.443 -3.710 1.00 0.00 H new ATOM 0 HB2 GLU A 99 -5.652 14.399 -5.451 1.00 0.00 H new ATOM 0 HB3 GLU A 99 -4.970 12.837 -5.861 1.00 0.00 H new ATOM 0 HG2 GLU A 99 -6.959 12.121 -6.969 1.00 0.00 H new ATOM 0 HG3 GLU A 99 -7.938 13.363 -6.214 1.00 0.00 H new ATOM 1419 N ALA A 100 -6.117 10.352 -4.335 1.00 0.00 N ATOM 1420 CA ALA A 100 -6.617 8.988 -4.274 1.00 0.00 C ATOM 1421 C ALA A 100 -7.077 8.630 -2.851 1.00 0.00 C ATOM 1422 O ALA A 100 -8.172 8.104 -2.685 1.00 0.00 O ATOM 1423 CB ALA A 100 -5.533 8.054 -4.811 1.00 0.00 C ATOM 0 H ALA A 100 -5.101 10.423 -4.393 1.00 0.00 H new ATOM 0 HA ALA A 100 -7.503 8.877 -4.899 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -5.889 7.024 -4.774 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -5.301 8.321 -5.842 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -4.635 8.150 -4.201 1.00 0.00 H new ATOM 1429 N PHE A 101 -6.304 8.961 -1.815 1.00 0.00 N ATOM 1430 CA PHE A 101 -6.652 8.622 -0.432 1.00 0.00 C ATOM 1431 C PHE A 101 -8.031 9.153 -0.031 1.00 0.00 C ATOM 1432 O PHE A 101 -8.874 8.385 0.436 1.00 0.00 O ATOM 1433 CB PHE A 101 -5.591 9.157 0.521 1.00 0.00 C ATOM 1434 CG PHE A 101 -4.582 8.118 0.943 1.00 0.00 C ATOM 1435 CD1 PHE A 101 -3.614 7.648 0.031 1.00 0.00 C ATOM 1436 CD2 PHE A 101 -4.585 7.653 2.274 1.00 0.00 C ATOM 1437 CE1 PHE A 101 -2.634 6.763 0.474 1.00 0.00 C ATOM 1438 CE2 PHE A 101 -3.579 6.780 2.713 1.00 0.00 C ATOM 1439 CZ PHE A 101 -2.597 6.362 1.802 1.00 0.00 C ATOM 0 H PHE A 101 -5.424 9.468 -1.909 1.00 0.00 H new ATOM 0 HA PHE A 101 -6.691 7.535 -0.367 1.00 0.00 H new ATOM 0 HB2 PHE A 101 -5.069 9.986 0.043 1.00 0.00 H new ATOM 0 HB3 PHE A 101 -6.080 9.558 1.408 1.00 0.00 H new ATOM 0 HD1 PHE A 101 -3.633 7.971 -0.999 1.00 0.00 H new ATOM 0 HD2 PHE A 101 -5.361 7.969 2.955 1.00 0.00 H new ATOM 0 HE1 PHE A 101 -1.898 6.386 -0.221 1.00 0.00 H new ATOM 0 HE2 PHE A 101 -3.560 6.435 3.736 1.00 0.00 H new ATOM 0 HZ PHE A 101 -1.799 5.717 2.140 1.00 0.00 H new ATOM 1448 N GLU A 102 -8.290 10.443 -0.267 1.00 0.00 N ATOM 1449 CA GLU A 102 -9.602 11.044 0.005 1.00 0.00 C ATOM 1450 C GLU A 102 -10.742 10.389 -0.781 1.00 0.00 C ATOM 1451 O GLU A 102 -11.860 10.269 -0.269 1.00 0.00 O ATOM 1452 CB GLU A 102 -9.603 12.563 -0.234 1.00 0.00 C ATOM 1453 CG GLU A 102 -9.170 13.045 -1.624 1.00 0.00 C ATOM 1454 CD GLU A 102 -10.312 13.731 -2.388 1.00 0.00 C ATOM 1455 OE1 GLU A 102 -10.516 14.955 -2.184 1.00 0.00 O ATOM 1456 OE2 GLU A 102 -11.010 13.075 -3.197 1.00 0.00 O ATOM 0 H GLU A 102 -7.605 11.095 -0.648 1.00 0.00 H new ATOM 0 HA GLU A 102 -9.786 10.857 1.063 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -10.609 12.936 -0.043 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -8.947 13.023 0.505 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -8.336 13.740 -1.521 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -8.808 12.196 -2.203 1.00 0.00 H new ATOM 1461 N SER A 103 -10.471 9.909 -1.992 1.00 0.00 N ATOM 1462 CA SER A 103 -11.462 9.197 -2.799 1.00 0.00 C ATOM 1463 C SER A 103 -11.819 7.820 -2.207 1.00 0.00 C ATOM 1464 O SER A 103 -12.974 7.399 -2.286 1.00 0.00 O ATOM 1465 CB SER A 103 -10.944 9.049 -4.237 1.00 0.00 C ATOM 1466 OG SER A 103 -11.973 8.613 -5.111 1.00 0.00 O ATOM 0 H SER A 103 -9.560 10.002 -2.442 1.00 0.00 H new ATOM 0 HA SER A 103 -12.379 9.786 -2.798 1.00 0.00 H new ATOM 0 HB2 SER A 103 -10.549 10.004 -4.584 1.00 0.00 H new ATOM 0 HB3 SER A 103 -10.119 8.336 -4.258 1.00 0.00 H new ATOM 0 HG SER A 103 -11.616 8.529 -6.020 1.00 0.00 H new ATOM 1471 N LEU A 104 -10.860 7.129 -1.566 1.00 0.00 N ATOM 1472 CA LEU A 104 -11.068 5.772 -1.019 1.00 0.00 C ATOM 1473 C LEU A 104 -11.426 5.765 0.469 1.00 0.00 C ATOM 1474 O LEU A 104 -12.096 4.837 0.927 1.00 0.00 O ATOM 1475 CB LEU A 104 -9.847 4.874 -1.313 1.00 0.00 C ATOM 1476 CG LEU A 104 -9.683 4.402 -2.775 1.00 0.00 C ATOM 1477 CD1 LEU A 104 -11.023 4.063 -3.452 1.00 0.00 C ATOM 1478 CD2 LEU A 104 -8.905 5.392 -3.642 1.00 0.00 C ATOM 0 H LEU A 104 -9.920 7.493 -1.412 1.00 0.00 H new ATOM 0 HA LEU A 104 -11.937 5.359 -1.532 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -8.946 5.416 -1.025 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -9.908 3.993 -0.674 1.00 0.00 H new ATOM 0 HG LEU A 104 -9.098 3.486 -2.699 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -10.841 3.738 -4.476 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -11.518 3.264 -2.900 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -11.661 4.947 -3.460 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -8.825 5.002 -4.657 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -9.428 6.348 -3.661 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -7.907 5.533 -3.227 1.00 0.00 H new ATOM 1489 N VAL A 105 -11.042 6.804 1.212 1.00 0.00 N ATOM 1490 CA VAL A 105 -11.463 7.016 2.608 1.00 0.00 C ATOM 1491 C VAL A 105 -12.945 7.403 2.695 1.00 0.00 C ATOM 1492 O VAL A 105 -13.611 7.087 3.680 1.00 0.00 O ATOM 1493 CB VAL A 105 -10.561 8.066 3.301 1.00 0.00 C ATOM 1494 CG1 VAL A 105 -11.077 9.509 3.211 1.00 0.00 C ATOM 1495 CG2 VAL A 105 -10.341 7.703 4.764 1.00 0.00 C ATOM 0 H VAL A 105 -10.422 7.534 0.862 1.00 0.00 H new ATOM 0 HA VAL A 105 -11.346 6.072 3.140 1.00 0.00 H new ATOM 0 HB VAL A 105 -9.621 8.038 2.750 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -10.383 10.176 3.723 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -11.157 9.802 2.164 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -12.058 9.575 3.682 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -9.705 8.453 5.233 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -11.301 7.668 5.279 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -9.860 6.727 4.828 1.00 0.00 H new ATOM 1505 N GLY A 106 -13.464 8.052 1.644 1.00 0.00 N ATOM 1506 CA GLY A 106 -14.851 8.501 1.502 1.00 0.00 C ATOM 1507 C GLY A 106 -15.060 10.007 1.693 1.00 0.00 C ATOM 1508 O GLY A 106 -16.154 10.507 1.434 1.00 0.00 O ATOM 0 H GLY A 106 -12.897 8.289 0.830 1.00 0.00 H new ATOM 0 HA2 GLY A 106 -15.209 8.221 0.511 1.00 0.00 H new ATOM 0 HA3 GLY A 106 -15.467 7.968 2.226 1.00 0.00 H new ATOM 1512 N GLU A 107 -14.024 10.753 2.078 1.00 0.00 N ATOM 1513 CA GLU A 107 -14.057 12.214 2.241 1.00 0.00 C ATOM 1514 C GLU A 107 -14.287 12.967 0.913 1.00 0.00 C ATOM 1515 O GLU A 107 -14.826 14.077 0.919 1.00 0.00 O ATOM 1516 CB GLU A 107 -12.770 12.700 2.932 1.00 0.00 C ATOM 1517 CG GLU A 107 -12.784 12.487 4.453 1.00 0.00 C ATOM 1518 CD GLU A 107 -13.760 13.431 5.168 1.00 0.00 C ATOM 1519 OE1 GLU A 107 -13.441 14.628 5.330 1.00 0.00 O ATOM 1520 OE2 GLU A 107 -14.854 12.972 5.573 1.00 0.00 O ATOM 0 H GLU A 107 -13.112 10.350 2.292 1.00 0.00 H new ATOM 0 HA GLU A 107 -14.915 12.444 2.873 1.00 0.00 H new ATOM 0 HB2 GLU A 107 -11.915 12.175 2.506 1.00 0.00 H new ATOM 0 HB3 GLU A 107 -12.630 13.760 2.721 1.00 0.00 H new ATOM 0 HG2 GLU A 107 -13.057 11.454 4.670 1.00 0.00 H new ATOM 0 HG3 GLU A 107 -11.780 12.641 4.848 1.00 0.00 H new ATOM 1525 N GLY A 108 -13.945 12.346 -0.222 1.00 0.00 N ATOM 1526 CA GLY A 108 -14.193 12.857 -1.578 1.00 0.00 C ATOM 1527 C GLY A 108 -15.529 12.432 -2.201 1.00 0.00 C ATOM 1528 O GLY A 108 -15.773 12.740 -3.365 1.00 0.00 O ATOM 0 H GLY A 108 -13.472 11.443 -0.223 1.00 0.00 H new ATOM 0 HA2 GLY A 108 -14.152 13.946 -1.552 1.00 0.00 H new ATOM 0 HA3 GLY A 108 -13.384 12.523 -2.228 1.00 0.00 H new