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 93 SER OG : rot 136:sc= 1.48 USER MOD Set 1.2: A 95 SER OG : rot 180:sc= 0.913 USER MOD Set 2.1: A 31 CYS SG : rot 140:sc= 0.76 USER MOD Set 2.2: A 33 HIS : no HE2:sc= 0.534 K(o=1.3,f=-4.8!) USER MOD Set 3.1: A 5 TYR OH : rot 71:sc= 0.574 USER MOD Set 3.2: A 34 CYS SG : rot 100:sc= 0.498 USER MOD Single : A 6 SER OG : rot 180:sc= 0.12 USER MOD Single : A 22 THR OG1 : rot 67:sc= 0.12 USER MOD Single : A 28 THR OG1 : rot 150:sc= 0.404 USER MOD Single : A 35 GLN : amide:sc= 1.06 K(o=1.1,f=-0.0084) USER MOD Single : A 38 GLN : amide:sc= 0.0678 X(o=0.068,f=-0.017) USER MOD Single : A 46 SER OG : rot 76:sc= 0.87 USER MOD Single : A 48 TYR OH : rot 180:sc=-0.000264 USER MOD Single : A 53 HIS : no HE2:sc= -1.18 K(o=-1.2,f=-2!) USER MOD Single : A 55 LYS NZ :NH3+ 169:sc= 0.868 (180deg=0.795) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 69 GLN : amide:sc= 0.584 K(o=0.58,f=0) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 THR OG1 : rot 99:sc= 1.27 USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 69 N TYR A 5 8.974 -2.430 6.734 1.00 0.00 N ATOM 70 CA TYR A 5 8.599 -3.476 5.771 1.00 0.00 C ATOM 71 C TYR A 5 8.675 -4.885 6.374 1.00 0.00 C ATOM 72 O TYR A 5 9.536 -5.160 7.207 1.00 0.00 O ATOM 73 CB TYR A 5 9.454 -3.393 4.498 1.00 0.00 C ATOM 74 CG TYR A 5 8.871 -2.485 3.435 1.00 0.00 C ATOM 75 CD1 TYR A 5 9.058 -1.088 3.498 1.00 0.00 C ATOM 76 CD2 TYR A 5 8.071 -3.039 2.420 1.00 0.00 C ATOM 77 CE1 TYR A 5 8.488 -0.255 2.515 1.00 0.00 C ATOM 78 CE2 TYR A 5 7.484 -2.208 1.443 1.00 0.00 C ATOM 79 CZ TYR A 5 7.738 -0.822 1.461 1.00 0.00 C ATOM 80 OH TYR A 5 7.289 -0.029 0.457 1.00 0.00 O ATOM 0 HA TYR A 5 7.558 -3.291 5.506 1.00 0.00 H new ATOM 0 HB2 TYR A 5 10.450 -3.037 4.762 1.00 0.00 H new ATOM 0 HB3 TYR A 5 9.572 -4.394 4.084 1.00 0.00 H new ATOM 0 HD1 TYR A 5 9.638 -0.657 4.300 1.00 0.00 H new ATOM 0 HD2 TYR A 5 7.905 -4.106 2.388 1.00 0.00 H new ATOM 0 HE1 TYR A 5 8.624 0.815 2.567 1.00 0.00 H new ATOM 0 HE2 TYR A 5 6.843 -2.632 0.685 1.00 0.00 H new ATOM 0 HH TYR A 5 8.045 0.257 -0.097 1.00 0.00 H new ATOM 89 N SER A 6 7.795 -5.783 5.931 1.00 0.00 N ATOM 90 CA SER A 6 7.740 -7.166 6.425 1.00 0.00 C ATOM 91 C SER A 6 7.635 -8.211 5.307 1.00 0.00 C ATOM 92 O SER A 6 6.816 -8.098 4.392 1.00 0.00 O ATOM 93 CB SER A 6 6.547 -7.333 7.367 1.00 0.00 C ATOM 94 OG SER A 6 6.636 -8.569 8.061 1.00 0.00 O ATOM 0 H SER A 6 7.097 -5.575 5.217 1.00 0.00 H new ATOM 0 HA SER A 6 8.681 -7.341 6.946 1.00 0.00 H new ATOM 0 HB2 SER A 6 6.520 -6.509 8.080 1.00 0.00 H new ATOM 0 HB3 SER A 6 5.618 -7.293 6.799 1.00 0.00 H new ATOM 0 HG SER A 6 5.867 -8.663 8.662 1.00 0.00 H new ATOM 99 N ALA A 7 8.440 -9.271 5.406 1.00 0.00 N ATOM 100 CA ALA A 7 8.324 -10.479 4.581 1.00 0.00 C ATOM 101 C ALA A 7 7.233 -11.456 5.072 1.00 0.00 C ATOM 102 O ALA A 7 6.914 -12.417 4.375 1.00 0.00 O ATOM 103 CB ALA A 7 9.709 -11.147 4.542 1.00 0.00 C ATOM 0 H ALA A 7 9.208 -9.316 6.076 1.00 0.00 H new ATOM 0 HA ALA A 7 8.004 -10.193 3.579 1.00 0.00 H new ATOM 0 HB1 ALA A 7 9.660 -12.051 3.935 1.00 0.00 H new ATOM 0 HB2 ALA A 7 10.433 -10.458 4.108 1.00 0.00 H new ATOM 0 HB3 ALA A 7 10.017 -11.406 5.555 1.00 0.00 H new ATOM 109 N GLU A 8 6.634 -11.204 6.243 1.00 0.00 N ATOM 110 CA GLU A 8 5.660 -12.079 6.914 1.00 0.00 C ATOM 111 C GLU A 8 4.199 -11.758 6.529 1.00 0.00 C ATOM 112 O GLU A 8 3.264 -12.047 7.277 1.00 0.00 O ATOM 113 CB GLU A 8 5.864 -12.015 8.443 1.00 0.00 C ATOM 114 CG GLU A 8 7.286 -12.365 8.894 1.00 0.00 C ATOM 115 CD GLU A 8 7.672 -13.816 8.563 1.00 0.00 C ATOM 116 OE1 GLU A 8 7.104 -14.750 9.183 1.00 0.00 O ATOM 117 OE2 GLU A 8 8.560 -14.034 7.704 1.00 0.00 O ATOM 0 H GLU A 8 6.821 -10.352 6.771 1.00 0.00 H new ATOM 0 HA GLU A 8 5.843 -13.097 6.570 1.00 0.00 H new ATOM 0 HB2 GLU A 8 5.620 -11.011 8.791 1.00 0.00 H new ATOM 0 HB3 GLU A 8 5.163 -12.698 8.922 1.00 0.00 H new ATOM 0 HG2 GLU A 8 7.992 -11.687 8.415 1.00 0.00 H new ATOM 0 HG3 GLU A 8 7.371 -12.207 9.969 1.00 0.00 H new ATOM 122 N ALA A 9 3.994 -11.135 5.365 1.00 0.00 N ATOM 123 CA ALA A 9 2.673 -10.727 4.873 1.00 0.00 C ATOM 124 C ALA A 9 1.721 -11.923 4.643 1.00 0.00 C ATOM 125 O ALA A 9 2.189 -13.032 4.337 1.00 0.00 O ATOM 126 CB ALA A 9 2.837 -9.909 3.583 1.00 0.00 C ATOM 0 H ALA A 9 4.753 -10.896 4.727 1.00 0.00 H new ATOM 0 HA ALA A 9 2.210 -10.113 5.646 1.00 0.00 H new ATOM 0 HB1 ALA A 9 1.856 -9.606 3.217 1.00 0.00 H new ATOM 0 HB2 ALA A 9 3.438 -9.023 3.788 1.00 0.00 H new ATOM 0 HB3 ALA A 9 3.334 -10.517 2.827 1.00 0.00 H new ATOM 132 N PRO A 10 0.396 -11.707 4.735 1.00 0.00 N ATOM 133 CA PRO A 10 -0.608 -12.746 4.544 1.00 0.00 C ATOM 134 C PRO A 10 -0.661 -13.274 3.107 1.00 0.00 C ATOM 135 O PRO A 10 -0.278 -12.597 2.148 1.00 0.00 O ATOM 136 CB PRO A 10 -1.939 -12.079 4.920 1.00 0.00 C ATOM 137 CG PRO A 10 -1.685 -10.603 4.617 1.00 0.00 C ATOM 138 CD PRO A 10 -0.247 -10.441 5.065 1.00 0.00 C ATOM 0 HA PRO A 10 -0.377 -13.619 5.155 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -2.768 -12.474 4.333 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -2.187 -12.238 5.969 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -1.812 -10.374 3.559 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -2.362 -9.950 5.168 1.00 0.00 H new ATOM 0 HD2 PRO A 10 0.235 -9.608 4.552 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -0.187 -10.235 6.134 1.00 0.00 H new ATOM 143 N ALA A 11 -1.224 -14.476 2.968 1.00 0.00 N ATOM 144 CA ALA A 11 -1.738 -14.983 1.696 1.00 0.00 C ATOM 145 C ALA A 11 -3.078 -14.301 1.351 1.00 0.00 C ATOM 146 O ALA A 11 -3.780 -13.813 2.241 1.00 0.00 O ATOM 147 CB ALA A 11 -1.889 -16.511 1.809 1.00 0.00 C ATOM 0 H ALA A 11 -1.337 -15.130 3.743 1.00 0.00 H new ATOM 0 HA ALA A 11 -1.045 -14.754 0.886 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -2.272 -16.909 0.869 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -0.918 -16.958 2.024 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -2.584 -16.749 2.614 1.00 0.00 H new ATOM 153 N ARG A 12 -3.481 -14.307 0.075 1.00 0.00 N ATOM 154 CA ARG A 12 -4.704 -13.612 -0.369 1.00 0.00 C ATOM 155 C ARG A 12 -5.983 -14.130 0.318 1.00 0.00 C ATOM 156 O ARG A 12 -6.909 -13.350 0.512 1.00 0.00 O ATOM 157 CB ARG A 12 -4.827 -13.629 -1.907 1.00 0.00 C ATOM 158 CG ARG A 12 -4.810 -12.205 -2.494 1.00 0.00 C ATOM 159 CD ARG A 12 -6.059 -11.365 -2.179 1.00 0.00 C ATOM 160 NE ARG A 12 -7.241 -11.794 -2.959 1.00 0.00 N ATOM 161 CZ ARG A 12 -8.485 -11.941 -2.507 1.00 0.00 C ATOM 162 NH1 ARG A 12 -8.768 -11.948 -1.226 1.00 0.00 N ATOM 163 NH2 ARG A 12 -9.480 -12.097 -3.349 1.00 0.00 N ATOM 0 H ARG A 12 -2.979 -14.786 -0.673 1.00 0.00 H new ATOM 0 HA ARG A 12 -4.602 -12.574 -0.052 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -4.007 -14.208 -2.332 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -5.752 -14.130 -2.193 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -3.932 -11.681 -2.116 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -4.699 -12.274 -3.576 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -6.284 -11.438 -1.115 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -5.850 -10.316 -2.389 1.00 0.00 H new ATOM 0 HE ARG A 12 -7.087 -11.999 -3.946 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -8.023 -11.838 -0.538 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -9.733 -12.063 -0.918 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -9.302 -12.106 -4.353 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -10.431 -12.209 -2.999 1.00 0.00 H new ATOM 174 N ASP A 13 -6.013 -15.396 0.743 1.00 0.00 N ATOM 175 CA ASP A 13 -7.114 -15.990 1.517 1.00 0.00 C ATOM 176 C ASP A 13 -7.216 -15.447 2.960 1.00 0.00 C ATOM 177 O ASP A 13 -8.316 -15.348 3.502 1.00 0.00 O ATOM 178 CB ASP A 13 -6.887 -17.505 1.574 1.00 0.00 C ATOM 179 CG ASP A 13 -8.013 -18.264 2.299 1.00 0.00 C ATOM 180 OD1 ASP A 13 -9.206 -17.990 2.037 1.00 0.00 O ATOM 181 OD2 ASP A 13 -7.705 -19.151 3.129 1.00 0.00 O ATOM 0 H ASP A 13 -5.257 -16.054 0.556 1.00 0.00 H new ATOM 0 HA ASP A 13 -8.047 -15.728 1.017 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -6.795 -17.890 0.558 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -5.941 -17.705 2.078 1.00 0.00 H new ATOM 185 N GLU A 14 -6.077 -15.093 3.559 1.00 0.00 N ATOM 186 CA GLU A 14 -5.996 -14.472 4.882 1.00 0.00 C ATOM 187 C GLU A 14 -6.245 -12.954 4.799 1.00 0.00 C ATOM 188 O GLU A 14 -6.832 -12.361 5.704 1.00 0.00 O ATOM 189 CB GLU A 14 -4.626 -14.763 5.502 1.00 0.00 C ATOM 190 CG GLU A 14 -4.478 -16.211 5.972 1.00 0.00 C ATOM 191 CD GLU A 14 -5.374 -16.547 7.175 1.00 0.00 C ATOM 192 OE1 GLU A 14 -5.064 -16.090 8.300 1.00 0.00 O ATOM 193 OE2 GLU A 14 -6.367 -17.298 7.016 1.00 0.00 O ATOM 0 H GLU A 14 -5.164 -15.234 3.127 1.00 0.00 H new ATOM 0 HA GLU A 14 -6.773 -14.898 5.516 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -3.848 -14.543 4.771 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -4.467 -14.094 6.348 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -4.720 -16.881 5.147 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -3.437 -16.396 6.238 1.00 0.00 H new ATOM 198 N LEU A 15 -5.841 -12.327 3.689 1.00 0.00 N ATOM 199 CA LEU A 15 -6.132 -10.937 3.334 1.00 0.00 C ATOM 200 C LEU A 15 -7.635 -10.724 3.097 1.00 0.00 C ATOM 201 O LEU A 15 -8.168 -9.683 3.463 1.00 0.00 O ATOM 202 CB LEU A 15 -5.319 -10.610 2.065 1.00 0.00 C ATOM 203 CG LEU A 15 -5.170 -9.101 1.794 1.00 0.00 C ATOM 204 CD1 LEU A 15 -4.025 -8.497 2.618 1.00 0.00 C ATOM 205 CD2 LEU A 15 -4.840 -8.886 0.320 1.00 0.00 C ATOM 0 H LEU A 15 -5.276 -12.798 2.982 1.00 0.00 H new ATOM 0 HA LEU A 15 -5.852 -10.271 4.150 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -4.327 -11.053 2.156 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -5.800 -11.078 1.206 1.00 0.00 H new ATOM 0 HG LEU A 15 -6.108 -8.619 2.068 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -3.946 -7.431 2.404 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -4.226 -8.640 3.680 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -3.089 -8.990 2.356 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -4.733 -7.819 0.123 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -3.907 -9.395 0.078 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -5.644 -9.290 -0.295 1.00 0.00 H new ATOM 216 N ASP A 16 -8.331 -11.717 2.544 1.00 0.00 N ATOM 217 CA ASP A 16 -9.774 -11.693 2.250 1.00 0.00 C ATOM 218 C ASP A 16 -10.639 -11.464 3.504 1.00 0.00 C ATOM 219 O ASP A 16 -11.770 -10.986 3.419 1.00 0.00 O ATOM 220 CB ASP A 16 -10.171 -13.042 1.619 1.00 0.00 C ATOM 221 CG ASP A 16 -11.476 -12.945 0.811 1.00 0.00 C ATOM 222 OD1 ASP A 16 -11.420 -12.386 -0.313 1.00 0.00 O ATOM 223 OD2 ASP A 16 -12.524 -13.445 1.280 1.00 0.00 O ATOM 0 H ASP A 16 -7.893 -12.598 2.276 1.00 0.00 H new ATOM 0 HA ASP A 16 -9.954 -10.859 1.572 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -9.368 -13.387 0.968 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -10.287 -13.788 2.405 1.00 0.00 H new ATOM 227 N ARG A 17 -10.073 -11.799 4.670 1.00 0.00 N ATOM 228 CA ARG A 17 -10.704 -11.692 5.982 1.00 0.00 C ATOM 229 C ARG A 17 -10.711 -10.251 6.513 1.00 0.00 C ATOM 230 O ARG A 17 -11.447 -9.958 7.457 1.00 0.00 O ATOM 231 CB ARG A 17 -10.000 -12.630 6.973 1.00 0.00 C ATOM 232 CG ARG A 17 -9.784 -14.069 6.456 1.00 0.00 C ATOM 233 CD ARG A 17 -11.056 -14.791 5.984 1.00 0.00 C ATOM 234 NE ARG A 17 -10.719 -15.967 5.163 1.00 0.00 N ATOM 235 CZ ARG A 17 -11.408 -17.098 5.066 1.00 0.00 C ATOM 236 NH1 ARG A 17 -12.464 -17.343 5.813 1.00 0.00 N ATOM 237 NH2 ARG A 17 -11.050 -18.011 4.189 1.00 0.00 N ATOM 0 H ARG A 17 -9.123 -12.167 4.722 1.00 0.00 H new ATOM 0 HA ARG A 17 -11.747 -11.991 5.873 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -9.032 -12.202 7.232 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -10.586 -12.672 7.891 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -9.074 -14.039 5.629 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -9.324 -14.658 7.249 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -11.644 -15.102 6.847 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -11.675 -14.105 5.407 1.00 0.00 H new ATOM 0 HE ARG A 17 -9.864 -15.906 4.610 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -12.778 -16.652 6.495 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -12.968 -18.224 5.710 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -10.244 -17.850 3.585 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -11.578 -18.880 4.113 1.00 0.00 H new ATOM 248 N LEU A 18 -9.915 -9.339 5.931 1.00 0.00 N ATOM 249 CA LEU A 18 -9.934 -7.915 6.316 1.00 0.00 C ATOM 250 C LEU A 18 -11.246 -7.232 5.898 1.00 0.00 C ATOM 251 O LEU A 18 -11.946 -7.725 5.011 1.00 0.00 O ATOM 252 CB LEU A 18 -8.641 -7.191 5.870 1.00 0.00 C ATOM 253 CG LEU A 18 -8.539 -6.634 4.425 1.00 0.00 C ATOM 254 CD1 LEU A 18 -9.280 -5.306 4.210 1.00 0.00 C ATOM 255 CD2 LEU A 18 -7.055 -6.410 4.094 1.00 0.00 C ATOM 0 H LEU A 18 -9.249 -9.561 5.191 1.00 0.00 H new ATOM 0 HA LEU A 18 -9.927 -7.845 7.404 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -8.480 -6.358 6.554 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -7.812 -7.884 6.012 1.00 0.00 H new ATOM 0 HG LEU A 18 -9.011 -7.370 3.774 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -9.159 -4.985 3.175 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -10.340 -5.441 4.427 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -8.868 -4.547 4.875 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -6.963 -6.018 3.081 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -6.629 -5.696 4.799 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -6.519 -7.356 4.167 1.00 0.00 H new ATOM 266 N ALA A 19 -11.578 -6.093 6.516 1.00 0.00 N ATOM 267 CA ALA A 19 -12.807 -5.336 6.222 1.00 0.00 C ATOM 268 C ALA A 19 -12.641 -3.812 6.184 1.00 0.00 C ATOM 269 O ALA A 19 -13.267 -3.162 5.344 1.00 0.00 O ATOM 270 CB ALA A 19 -13.870 -5.765 7.241 1.00 0.00 C ATOM 0 H ALA A 19 -11.000 -5.665 7.239 1.00 0.00 H new ATOM 0 HA ALA A 19 -13.110 -5.579 5.203 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -14.796 -5.222 7.051 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -14.052 -6.836 7.148 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -13.519 -5.543 8.249 1.00 0.00 H new ATOM 276 N GLY A 20 -11.788 -3.232 7.033 1.00 0.00 N ATOM 277 CA GLY A 20 -11.567 -1.781 7.077 1.00 0.00 C ATOM 278 C GLY A 20 -10.675 -1.277 5.929 1.00 0.00 C ATOM 279 O GLY A 20 -10.065 -2.096 5.235 1.00 0.00 O ATOM 0 H GLY A 20 -11.231 -3.754 7.710 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -12.529 -1.270 7.034 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -11.108 -1.517 8.030 1.00 0.00 H new ATOM 283 N PRO A 21 -10.576 0.054 5.727 1.00 0.00 N ATOM 284 CA PRO A 21 -9.745 0.645 4.684 1.00 0.00 C ATOM 285 C PRO A 21 -8.271 0.348 4.971 1.00 0.00 C ATOM 286 O PRO A 21 -7.695 0.861 5.928 1.00 0.00 O ATOM 287 CB PRO A 21 -10.076 2.141 4.679 1.00 0.00 C ATOM 288 CG PRO A 21 -10.553 2.413 6.101 1.00 0.00 C ATOM 289 CD PRO A 21 -11.242 1.103 6.487 1.00 0.00 C ATOM 0 HA PRO A 21 -9.940 0.230 3.695 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -9.203 2.743 4.428 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -10.847 2.378 3.946 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -9.723 2.645 6.768 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -11.240 3.258 6.142 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -11.158 0.920 7.558 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -12.306 1.139 6.252 1.00 0.00 H new ATOM 294 N THR A 22 -7.670 -0.511 4.142 1.00 0.00 N ATOM 295 CA THR A 22 -6.285 -0.988 4.302 1.00 0.00 C ATOM 296 C THR A 22 -5.527 -0.790 3.004 1.00 0.00 C ATOM 297 O THR A 22 -5.857 -1.403 1.992 1.00 0.00 O ATOM 298 CB THR A 22 -6.253 -2.469 4.717 1.00 0.00 C ATOM 299 OG1 THR A 22 -6.991 -2.649 5.902 1.00 0.00 O ATOM 300 CG2 THR A 22 -4.821 -2.943 4.982 1.00 0.00 C ATOM 0 H THR A 22 -8.137 -0.904 3.325 1.00 0.00 H new ATOM 0 HA THR A 22 -5.808 -0.409 5.093 1.00 0.00 H new ATOM 0 HB THR A 22 -6.682 -3.046 3.898 1.00 0.00 H new ATOM 0 HG1 THR A 22 -7.940 -2.483 5.725 1.00 0.00 H new ATOM 0 HG21 THR A 22 -4.833 -3.993 5.273 1.00 0.00 H new ATOM 0 HG22 THR A 22 -4.225 -2.824 4.077 1.00 0.00 H new ATOM 0 HG23 THR A 22 -4.384 -2.349 5.785 1.00 0.00 H new ATOM 308 N LEU A 23 -4.479 0.022 3.027 1.00 0.00 N ATOM 309 CA LEU A 23 -3.562 0.176 1.904 1.00 0.00 C ATOM 310 C LEU A 23 -2.476 -0.904 1.978 1.00 0.00 C ATOM 311 O LEU A 23 -1.825 -1.053 3.010 1.00 0.00 O ATOM 312 CB LEU A 23 -2.987 1.607 1.933 1.00 0.00 C ATOM 313 CG LEU A 23 -2.088 1.957 0.733 1.00 0.00 C ATOM 314 CD1 LEU A 23 -2.803 1.654 -0.582 1.00 0.00 C ATOM 315 CD2 LEU A 23 -1.647 3.409 0.786 1.00 0.00 C ATOM 0 H LEU A 23 -4.238 0.598 3.833 1.00 0.00 H new ATOM 0 HA LEU A 23 -4.076 0.042 0.952 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -3.813 2.317 1.971 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -2.413 1.736 2.851 1.00 0.00 H new ATOM 0 HG LEU A 23 -1.195 1.335 0.788 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -2.151 1.908 -1.418 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -3.051 0.594 -0.625 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -3.718 2.244 -0.643 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -1.013 3.628 -0.073 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -2.524 4.056 0.765 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -1.087 3.586 1.704 1.00 0.00 H new ATOM 326 N VAL A 24 -2.261 -1.649 0.896 1.00 0.00 N ATOM 327 CA VAL A 24 -1.207 -2.674 0.789 1.00 0.00 C ATOM 328 C VAL A 24 -0.119 -2.186 -0.162 1.00 0.00 C ATOM 329 O VAL A 24 -0.384 -1.998 -1.345 1.00 0.00 O ATOM 330 CB VAL A 24 -1.779 -4.030 0.321 1.00 0.00 C ATOM 331 CG1 VAL A 24 -0.689 -5.117 0.340 1.00 0.00 C ATOM 332 CG2 VAL A 24 -2.950 -4.501 1.205 1.00 0.00 C ATOM 0 H VAL A 24 -2.822 -1.561 0.049 1.00 0.00 H new ATOM 0 HA VAL A 24 -0.776 -2.833 1.778 1.00 0.00 H new ATOM 0 HB VAL A 24 -2.143 -3.877 -0.695 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -1.114 -6.064 0.007 1.00 0.00 H new ATOM 0 HG12 VAL A 24 0.124 -4.829 -0.327 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -0.304 -5.229 1.354 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -3.320 -5.458 0.839 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -2.607 -4.614 2.233 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -3.752 -3.764 1.169 1.00 0.00 H new ATOM 342 N GLU A 25 1.077 -1.958 0.372 1.00 0.00 N ATOM 343 CA GLU A 25 2.241 -1.373 -0.301 1.00 0.00 C ATOM 344 C GLU A 25 3.319 -2.423 -0.576 1.00 0.00 C ATOM 345 O GLU A 25 3.738 -3.143 0.335 1.00 0.00 O ATOM 346 CB GLU A 25 2.782 -0.239 0.582 1.00 0.00 C ATOM 347 CG GLU A 25 3.978 0.507 -0.027 1.00 0.00 C ATOM 348 CD GLU A 25 4.608 1.536 0.930 1.00 0.00 C ATOM 349 OE1 GLU A 25 4.824 1.219 2.123 1.00 0.00 O ATOM 350 OE2 GLU A 25 4.944 2.654 0.470 1.00 0.00 O ATOM 0 H GLU A 25 1.276 -2.189 1.345 1.00 0.00 H new ATOM 0 HA GLU A 25 1.942 -0.979 -1.272 1.00 0.00 H new ATOM 0 HB2 GLU A 25 1.980 0.474 0.772 1.00 0.00 H new ATOM 0 HB3 GLU A 25 3.077 -0.652 1.547 1.00 0.00 H new ATOM 0 HG2 GLU A 25 4.737 -0.218 -0.321 1.00 0.00 H new ATOM 0 HG3 GLU A 25 3.655 1.016 -0.935 1.00 0.00 H new ATOM 355 N PHE A 26 3.789 -2.473 -1.825 1.00 0.00 N ATOM 356 CA PHE A 26 4.823 -3.386 -2.304 1.00 0.00 C ATOM 357 C PHE A 26 6.135 -2.622 -2.526 1.00 0.00 C ATOM 358 O PHE A 26 6.154 -1.558 -3.152 1.00 0.00 O ATOM 359 CB PHE A 26 4.325 -4.067 -3.590 1.00 0.00 C ATOM 360 CG PHE A 26 2.981 -4.747 -3.428 1.00 0.00 C ATOM 361 CD1 PHE A 26 2.900 -6.009 -2.808 1.00 0.00 C ATOM 362 CD2 PHE A 26 1.801 -4.084 -3.816 1.00 0.00 C ATOM 363 CE1 PHE A 26 1.641 -6.586 -2.549 1.00 0.00 C ATOM 364 CE2 PHE A 26 0.549 -4.668 -3.563 1.00 0.00 C ATOM 365 CZ PHE A 26 0.470 -5.908 -2.919 1.00 0.00 C ATOM 0 H PHE A 26 3.444 -1.853 -2.557 1.00 0.00 H new ATOM 0 HA PHE A 26 5.024 -4.159 -1.562 1.00 0.00 H new ATOM 0 HB2 PHE A 26 4.254 -3.322 -4.383 1.00 0.00 H new ATOM 0 HB3 PHE A 26 5.061 -4.804 -3.910 1.00 0.00 H new ATOM 0 HD1 PHE A 26 3.802 -6.534 -2.531 1.00 0.00 H new ATOM 0 HD2 PHE A 26 1.859 -3.125 -4.309 1.00 0.00 H new ATOM 0 HE1 PHE A 26 1.578 -7.550 -2.066 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -0.354 -4.159 -3.866 1.00 0.00 H new ATOM 0 HZ PHE A 26 -0.495 -6.344 -2.706 1.00 0.00 H new ATOM 374 N GLY A 27 7.236 -3.176 -2.009 1.00 0.00 N ATOM 375 CA GLY A 27 8.564 -2.563 -2.052 1.00 0.00 C ATOM 376 C GLY A 27 9.522 -3.168 -1.023 1.00 0.00 C ATOM 377 O GLY A 27 9.370 -4.333 -0.662 1.00 0.00 O ATOM 0 H GLY A 27 7.227 -4.082 -1.540 1.00 0.00 H new ATOM 0 HA2 GLY A 27 8.984 -2.684 -3.050 1.00 0.00 H new ATOM 0 HA3 GLY A 27 8.472 -1.492 -1.873 1.00 0.00 H new ATOM 381 N THR A 28 10.496 -2.380 -0.552 1.00 0.00 N ATOM 382 CA THR A 28 11.429 -2.715 0.540 1.00 0.00 C ATOM 383 C THR A 28 11.750 -1.465 1.356 1.00 0.00 C ATOM 384 O THR A 28 11.324 -0.361 1.023 1.00 0.00 O ATOM 385 CB THR A 28 12.723 -3.356 0.010 1.00 0.00 C ATOM 386 OG1 THR A 28 13.403 -2.441 -0.820 1.00 0.00 O ATOM 387 CG2 THR A 28 12.475 -4.661 -0.749 1.00 0.00 C ATOM 0 H THR A 28 10.666 -1.450 -0.936 1.00 0.00 H new ATOM 0 HA THR A 28 10.941 -3.448 1.182 1.00 0.00 H new ATOM 0 HB THR A 28 13.334 -3.605 0.878 1.00 0.00 H new ATOM 0 HG1 THR A 28 14.368 -2.605 -0.766 1.00 0.00 H new ATOM 0 HG21 THR A 28 13.425 -5.065 -1.098 1.00 0.00 H new ATOM 0 HG22 THR A 28 11.996 -5.382 -0.087 1.00 0.00 H new ATOM 0 HG23 THR A 28 11.827 -4.467 -1.604 1.00 0.00 H new ATOM 395 N ASP A 29 12.535 -1.617 2.420 1.00 0.00 N ATOM 396 CA ASP A 29 12.998 -0.501 3.257 1.00 0.00 C ATOM 397 C ASP A 29 14.178 0.261 2.615 1.00 0.00 C ATOM 398 O ASP A 29 14.567 1.325 3.096 1.00 0.00 O ATOM 399 CB ASP A 29 13.364 -1.074 4.636 1.00 0.00 C ATOM 400 CG ASP A 29 13.702 0.010 5.675 1.00 0.00 C ATOM 401 OD1 ASP A 29 12.782 0.767 6.068 1.00 0.00 O ATOM 402 OD2 ASP A 29 14.869 0.052 6.140 1.00 0.00 O ATOM 0 H ASP A 29 12.874 -2.527 2.733 1.00 0.00 H new ATOM 0 HA ASP A 29 12.203 0.238 3.359 1.00 0.00 H new ATOM 0 HB2 ASP A 29 12.532 -1.674 5.005 1.00 0.00 H new ATOM 0 HB3 ASP A 29 14.217 -1.744 4.529 1.00 0.00 H new ATOM 406 N TRP A 30 14.742 -0.275 1.522 1.00 0.00 N ATOM 407 CA TRP A 30 16.066 0.088 1.014 1.00 0.00 C ATOM 408 C TRP A 30 16.124 0.454 -0.483 1.00 0.00 C ATOM 409 O TRP A 30 17.132 1.023 -0.904 1.00 0.00 O ATOM 410 CB TRP A 30 17.031 -1.064 1.357 1.00 0.00 C ATOM 411 CG TRP A 30 16.616 -2.448 0.968 1.00 0.00 C ATOM 412 CD1 TRP A 30 16.094 -3.380 1.795 1.00 0.00 C ATOM 413 CD2 TRP A 30 16.723 -3.092 -0.341 1.00 0.00 C ATOM 414 NE1 TRP A 30 15.866 -4.550 1.097 1.00 0.00 N ATOM 415 CE2 TRP A 30 16.224 -4.427 -0.228 1.00 0.00 C ATOM 416 CE3 TRP A 30 17.193 -2.685 -1.607 1.00 0.00 C ATOM 417 CZ2 TRP A 30 16.171 -5.302 -1.320 1.00 0.00 C ATOM 418 CZ3 TRP A 30 17.142 -3.558 -2.711 1.00 0.00 C ATOM 419 CH2 TRP A 30 16.624 -4.861 -2.574 1.00 0.00 C ATOM 0 H TRP A 30 14.278 -0.987 0.958 1.00 0.00 H new ATOM 0 HA TRP A 30 16.361 1.016 1.505 1.00 0.00 H new ATOM 0 HB2 TRP A 30 17.989 -0.854 0.882 1.00 0.00 H new ATOM 0 HB3 TRP A 30 17.200 -1.053 2.434 1.00 0.00 H new ATOM 0 HD1 TRP A 30 15.886 -3.232 2.844 1.00 0.00 H new ATOM 0 HE1 TRP A 30 15.481 -5.399 1.511 1.00 0.00 H new ATOM 0 HE3 TRP A 30 17.597 -1.691 -1.731 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 15.786 -6.304 -1.199 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 17.504 -3.225 -3.673 1.00 0.00 H new ATOM 0 HH2 TRP A 30 16.575 -5.518 -3.430 1.00 0.00 H new ATOM 429 N CYS A 31 15.088 0.194 -1.293 1.00 0.00 N ATOM 430 CA CYS A 31 15.057 0.624 -2.699 1.00 0.00 C ATOM 431 C CYS A 31 14.952 2.156 -2.820 1.00 0.00 C ATOM 432 O CYS A 31 14.226 2.797 -2.051 1.00 0.00 O ATOM 433 CB CYS A 31 13.912 -0.060 -3.458 1.00 0.00 C ATOM 434 SG CYS A 31 13.920 0.463 -5.205 1.00 0.00 S ATOM 0 H CYS A 31 14.255 -0.315 -0.996 1.00 0.00 H new ATOM 0 HA CYS A 31 15.999 0.319 -3.154 1.00 0.00 H new ATOM 0 HB2 CYS A 31 14.018 -1.143 -3.394 1.00 0.00 H new ATOM 0 HB3 CYS A 31 12.957 0.194 -2.998 1.00 0.00 H new ATOM 0 HG CYS A 31 13.653 -0.558 -5.965 1.00 0.00 H new ATOM 439 N GLY A 32 15.634 2.733 -3.814 1.00 0.00 N ATOM 440 CA GLY A 32 15.591 4.160 -4.143 1.00 0.00 C ATOM 441 C GLY A 32 14.215 4.643 -4.609 1.00 0.00 C ATOM 442 O GLY A 32 13.903 5.817 -4.421 1.00 0.00 O ATOM 0 H GLY A 32 16.250 2.203 -4.431 1.00 0.00 H new ATOM 0 HA2 GLY A 32 15.890 4.735 -3.267 1.00 0.00 H new ATOM 0 HA3 GLY A 32 16.322 4.366 -4.925 1.00 0.00 H new ATOM 446 N HIS A 33 13.356 3.765 -5.136 1.00 0.00 N ATOM 447 CA HIS A 33 11.941 4.086 -5.330 1.00 0.00 C ATOM 448 C HIS A 33 11.242 4.320 -3.977 1.00 0.00 C ATOM 449 O HIS A 33 10.567 5.333 -3.770 1.00 0.00 O ATOM 450 CB HIS A 33 11.223 2.934 -6.045 1.00 0.00 C ATOM 451 CG HIS A 33 11.723 2.522 -7.397 1.00 0.00 C ATOM 452 ND1 HIS A 33 12.225 1.287 -7.726 1.00 0.00 N ATOM 453 CD2 HIS A 33 11.582 3.216 -8.570 1.00 0.00 C ATOM 454 CE1 HIS A 33 12.349 1.218 -9.061 1.00 0.00 C ATOM 455 NE2 HIS A 33 11.977 2.381 -9.630 1.00 0.00 N ATOM 0 H HIS A 33 13.617 2.826 -5.436 1.00 0.00 H new ATOM 0 HA HIS A 33 11.891 4.992 -5.933 1.00 0.00 H new ATOM 0 HB2 HIS A 33 11.263 2.061 -5.394 1.00 0.00 H new ATOM 0 HB3 HIS A 33 10.173 3.207 -6.147 1.00 0.00 H new ATOM 0 HD1 HIS A 33 12.464 0.546 -7.067 1.00 0.00 H new ATOM 0 HD2 HIS A 33 11.228 4.232 -8.664 1.00 0.00 H new ATOM 0 HE1 HIS A 33 12.698 0.351 -9.603 1.00 0.00 H new ATOM 463 N CYS A 34 11.446 3.398 -3.032 1.00 0.00 N ATOM 464 CA CYS A 34 10.878 3.483 -1.690 1.00 0.00 C ATOM 465 C CYS A 34 11.364 4.706 -0.924 1.00 0.00 C ATOM 466 O CYS A 34 10.562 5.308 -0.218 1.00 0.00 O ATOM 467 CB CYS A 34 11.198 2.200 -0.929 1.00 0.00 C ATOM 468 SG CYS A 34 9.955 0.964 -1.380 1.00 0.00 S ATOM 0 H CYS A 34 12.016 2.565 -3.182 1.00 0.00 H new ATOM 0 HA CYS A 34 9.798 3.596 -1.787 1.00 0.00 H new ATOM 0 HB2 CYS A 34 12.198 1.846 -1.181 1.00 0.00 H new ATOM 0 HB3 CYS A 34 11.185 2.380 0.146 1.00 0.00 H new ATOM 0 HG CYS A 34 10.448 0.160 -2.274 1.00 0.00 H new ATOM 473 N GLN A 35 12.620 5.124 -1.079 1.00 0.00 N ATOM 474 CA GLN A 35 13.133 6.277 -0.326 1.00 0.00 C ATOM 475 C GLN A 35 12.437 7.589 -0.725 1.00 0.00 C ATOM 476 O GLN A 35 12.413 8.540 0.051 1.00 0.00 O ATOM 477 CB GLN A 35 14.649 6.437 -0.505 1.00 0.00 C ATOM 478 CG GLN A 35 15.479 5.189 -0.203 1.00 0.00 C ATOM 479 CD GLN A 35 15.073 4.425 1.053 1.00 0.00 C ATOM 480 OE1 GLN A 35 15.231 4.884 2.177 1.00 0.00 O ATOM 481 NE2 GLN A 35 14.542 3.229 0.902 1.00 0.00 N ATOM 0 H GLN A 35 13.296 4.691 -1.709 1.00 0.00 H new ATOM 0 HA GLN A 35 12.914 6.073 0.722 1.00 0.00 H new ATOM 0 HB2 GLN A 35 14.846 6.744 -1.532 1.00 0.00 H new ATOM 0 HB3 GLN A 35 14.991 7.246 0.141 1.00 0.00 H new ATOM 0 HG2 GLN A 35 15.413 4.514 -1.056 1.00 0.00 H new ATOM 0 HG3 GLN A 35 16.525 5.482 -0.108 1.00 0.00 H new ATOM 0 HE21 GLN A 35 14.409 2.844 -0.033 1.00 0.00 H new ATOM 0 HE22 GLN A 35 14.264 2.688 1.720 1.00 0.00 H new ATOM 488 N ALA A 36 11.864 7.624 -1.930 1.00 0.00 N ATOM 489 CA ALA A 36 11.048 8.721 -2.445 1.00 0.00 C ATOM 490 C ALA A 36 9.549 8.557 -2.115 1.00 0.00 C ATOM 491 O ALA A 36 8.888 9.545 -1.797 1.00 0.00 O ATOM 492 CB ALA A 36 11.276 8.802 -3.964 1.00 0.00 C ATOM 0 H ALA A 36 11.961 6.859 -2.598 1.00 0.00 H new ATOM 0 HA ALA A 36 11.353 9.648 -1.959 1.00 0.00 H new ATOM 0 HB1 ALA A 36 10.679 9.614 -4.379 1.00 0.00 H new ATOM 0 HB2 ALA A 36 12.331 8.989 -4.164 1.00 0.00 H new ATOM 0 HB3 ALA A 36 10.980 7.861 -4.427 1.00 0.00 H new ATOM 498 N ALA A 37 9.004 7.332 -2.157 1.00 0.00 N ATOM 499 CA ALA A 37 7.577 7.082 -1.929 1.00 0.00 C ATOM 500 C ALA A 37 7.201 6.948 -0.443 1.00 0.00 C ATOM 501 O ALA A 37 6.088 7.290 -0.052 1.00 0.00 O ATOM 502 CB ALA A 37 7.162 5.840 -2.725 1.00 0.00 C ATOM 0 H ALA A 37 9.543 6.488 -2.350 1.00 0.00 H new ATOM 0 HA ALA A 37 7.027 7.956 -2.279 1.00 0.00 H new ATOM 0 HB1 ALA A 37 6.102 5.642 -2.564 1.00 0.00 H new ATOM 0 HB2 ALA A 37 7.343 6.011 -3.786 1.00 0.00 H new ATOM 0 HB3 ALA A 37 7.746 4.982 -2.391 1.00 0.00 H new ATOM 508 N GLN A 38 8.123 6.494 0.407 1.00 0.00 N ATOM 509 CA GLN A 38 7.891 6.364 1.852 1.00 0.00 C ATOM 510 C GLN A 38 7.584 7.707 2.540 1.00 0.00 C ATOM 511 O GLN A 38 6.545 7.776 3.204 1.00 0.00 O ATOM 512 CB GLN A 38 9.089 5.674 2.523 1.00 0.00 C ATOM 513 CG GLN A 38 9.104 4.146 2.352 1.00 0.00 C ATOM 514 CD GLN A 38 8.039 3.442 3.204 1.00 0.00 C ATOM 515 OE1 GLN A 38 8.223 3.174 4.387 1.00 0.00 O ATOM 516 NE2 GLN A 38 6.897 3.122 2.640 1.00 0.00 N ATOM 0 H GLN A 38 9.056 6.204 0.115 1.00 0.00 H new ATOM 0 HA GLN A 38 7.001 5.747 1.973 1.00 0.00 H new ATOM 0 HB2 GLN A 38 10.010 6.085 2.110 1.00 0.00 H new ATOM 0 HB3 GLN A 38 9.083 5.911 3.587 1.00 0.00 H new ATOM 0 HG2 GLN A 38 8.943 3.901 1.302 1.00 0.00 H new ATOM 0 HG3 GLN A 38 10.089 3.764 2.621 1.00 0.00 H new ATOM 0 HE21 GLN A 38 6.735 3.341 1.657 1.00 0.00 H new ATOM 0 HE22 GLN A 38 6.172 2.655 3.185 1.00 0.00 H new ATOM 523 N PRO A 39 8.391 8.781 2.391 1.00 0.00 N ATOM 524 CA PRO A 39 8.050 10.094 2.934 1.00 0.00 C ATOM 525 C PRO A 39 6.832 10.706 2.228 1.00 0.00 C ATOM 526 O PRO A 39 6.201 11.603 2.787 1.00 0.00 O ATOM 527 CB PRO A 39 9.300 10.961 2.763 1.00 0.00 C ATOM 528 CG PRO A 39 9.978 10.353 1.544 1.00 0.00 C ATOM 529 CD PRO A 39 9.681 8.863 1.708 1.00 0.00 C ATOM 0 HA PRO A 39 7.765 10.020 3.983 1.00 0.00 H new ATOM 0 HB2 PRO A 39 9.045 12.008 2.602 1.00 0.00 H new ATOM 0 HB3 PRO A 39 9.942 10.921 3.643 1.00 0.00 H new ATOM 0 HG2 PRO A 39 9.570 10.748 0.614 1.00 0.00 H new ATOM 0 HG3 PRO A 39 11.049 10.554 1.533 1.00 0.00 H new ATOM 0 HD2 PRO A 39 9.642 8.364 0.740 1.00 0.00 H new ATOM 0 HD3 PRO A 39 10.462 8.371 2.289 1.00 0.00 H new ATOM 534 N LEU A 40 6.455 10.201 1.042 1.00 0.00 N ATOM 535 CA LEU A 40 5.225 10.598 0.361 1.00 0.00 C ATOM 536 C LEU A 40 4.026 10.072 1.149 1.00 0.00 C ATOM 537 O LEU A 40 3.207 10.867 1.612 1.00 0.00 O ATOM 538 CB LEU A 40 5.206 10.040 -1.080 1.00 0.00 C ATOM 539 CG LEU A 40 4.727 10.982 -2.190 1.00 0.00 C ATOM 540 CD1 LEU A 40 3.466 11.747 -1.794 1.00 0.00 C ATOM 541 CD2 LEU A 40 5.841 11.935 -2.626 1.00 0.00 C ATOM 0 H LEU A 40 7.000 9.505 0.533 1.00 0.00 H new ATOM 0 HA LEU A 40 5.175 11.685 0.306 1.00 0.00 H new ATOM 0 HB2 LEU A 40 6.215 9.711 -1.328 1.00 0.00 H new ATOM 0 HB3 LEU A 40 4.571 9.154 -1.091 1.00 0.00 H new ATOM 0 HG LEU A 40 4.464 10.359 -3.045 1.00 0.00 H new ATOM 0 HD11 LEU A 40 3.165 12.401 -2.612 1.00 0.00 H new ATOM 0 HD12 LEU A 40 2.664 11.041 -1.581 1.00 0.00 H new ATOM 0 HD13 LEU A 40 3.668 12.346 -0.906 1.00 0.00 H new ATOM 0 HD21 LEU A 40 5.471 12.591 -3.414 1.00 0.00 H new ATOM 0 HD22 LEU A 40 6.160 12.536 -1.774 1.00 0.00 H new ATOM 0 HD23 LEU A 40 6.687 11.359 -3.001 1.00 0.00 H new ATOM 552 N LEU A 41 3.963 8.745 1.336 1.00 0.00 N ATOM 553 CA LEU A 41 2.905 8.070 2.080 1.00 0.00 C ATOM 554 C LEU A 41 2.822 8.638 3.491 1.00 0.00 C ATOM 555 O LEU A 41 1.721 8.927 3.940 1.00 0.00 O ATOM 556 CB LEU A 41 3.098 6.536 2.105 1.00 0.00 C ATOM 557 CG LEU A 41 2.438 5.726 0.960 1.00 0.00 C ATOM 558 CD1 LEU A 41 0.974 6.093 0.713 1.00 0.00 C ATOM 559 CD2 LEU A 41 3.270 5.823 -0.318 1.00 0.00 C ATOM 0 H LEU A 41 4.664 8.104 0.964 1.00 0.00 H new ATOM 0 HA LEU A 41 1.961 8.256 1.567 1.00 0.00 H new ATOM 0 HB2 LEU A 41 4.168 6.329 2.094 1.00 0.00 H new ATOM 0 HB3 LEU A 41 2.711 6.161 3.052 1.00 0.00 H new ATOM 0 HG LEU A 41 2.422 4.686 1.286 1.00 0.00 H new ATOM 0 HD11 LEU A 41 0.579 5.486 -0.102 1.00 0.00 H new ATOM 0 HD12 LEU A 41 0.395 5.907 1.617 1.00 0.00 H new ATOM 0 HD13 LEU A 41 0.903 7.148 0.447 1.00 0.00 H new ATOM 0 HD21 LEU A 41 2.790 5.248 -1.109 1.00 0.00 H new ATOM 0 HD22 LEU A 41 3.347 6.866 -0.624 1.00 0.00 H new ATOM 0 HD23 LEU A 41 4.268 5.424 -0.134 1.00 0.00 H new ATOM 570 N ALA A 42 3.955 8.875 4.154 1.00 0.00 N ATOM 571 CA ALA A 42 4.012 9.477 5.489 1.00 0.00 C ATOM 572 C ALA A 42 3.320 10.848 5.556 1.00 0.00 C ATOM 573 O ALA A 42 2.634 11.137 6.540 1.00 0.00 O ATOM 574 CB ALA A 42 5.486 9.587 5.904 1.00 0.00 C ATOM 0 H ALA A 42 4.874 8.651 3.773 1.00 0.00 H new ATOM 0 HA ALA A 42 3.466 8.836 6.181 1.00 0.00 H new ATOM 0 HB1 ALA A 42 5.552 10.033 6.896 1.00 0.00 H new ATOM 0 HB2 ALA A 42 5.934 8.593 5.922 1.00 0.00 H new ATOM 0 HB3 ALA A 42 6.020 10.213 5.189 1.00 0.00 H new ATOM 580 N GLU A 43 3.464 11.685 4.518 1.00 0.00 N ATOM 581 CA GLU A 43 2.831 13.009 4.461 1.00 0.00 C ATOM 582 C GLU A 43 1.315 12.903 4.246 1.00 0.00 C ATOM 583 O GLU A 43 0.553 13.572 4.948 1.00 0.00 O ATOM 584 CB GLU A 43 3.462 13.859 3.347 1.00 0.00 C ATOM 585 CG GLU A 43 4.837 14.401 3.727 1.00 0.00 C ATOM 586 CD GLU A 43 4.735 15.639 4.629 1.00 0.00 C ATOM 587 OE1 GLU A 43 4.495 16.754 4.111 1.00 0.00 O ATOM 588 OE2 GLU A 43 4.903 15.512 5.865 1.00 0.00 O ATOM 0 H GLU A 43 4.023 11.462 3.695 1.00 0.00 H new ATOM 0 HA GLU A 43 3.001 13.495 5.422 1.00 0.00 H new ATOM 0 HB2 GLU A 43 3.550 13.257 2.442 1.00 0.00 H new ATOM 0 HB3 GLU A 43 2.800 14.692 3.112 1.00 0.00 H new ATOM 0 HG2 GLU A 43 5.404 13.624 4.239 1.00 0.00 H new ATOM 0 HG3 GLU A 43 5.390 14.655 2.823 1.00 0.00 H new ATOM 593 N VAL A 44 0.854 12.057 3.313 1.00 0.00 N ATOM 594 CA VAL A 44 -0.587 11.854 3.064 1.00 0.00 C ATOM 595 C VAL A 44 -1.284 11.156 4.244 1.00 0.00 C ATOM 596 O VAL A 44 -2.293 11.656 4.732 1.00 0.00 O ATOM 597 CB VAL A 44 -0.865 11.166 1.709 1.00 0.00 C ATOM 598 CG1 VAL A 44 -0.074 9.906 1.428 1.00 0.00 C ATOM 599 CG2 VAL A 44 -2.335 10.789 1.540 1.00 0.00 C ATOM 0 H VAL A 44 1.460 11.497 2.713 1.00 0.00 H new ATOM 0 HA VAL A 44 -1.033 12.845 2.987 1.00 0.00 H new ATOM 0 HB VAL A 44 -0.549 11.935 1.004 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -0.352 9.512 0.451 1.00 0.00 H new ATOM 0 HG12 VAL A 44 0.991 10.136 1.437 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -0.291 9.162 2.194 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -2.478 10.309 0.572 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -2.628 10.101 2.333 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -2.950 11.688 1.594 1.00 0.00 H new ATOM 609 N PHE A 45 -0.737 10.039 4.750 1.00 0.00 N ATOM 610 CA PHE A 45 -1.306 9.251 5.866 1.00 0.00 C ATOM 611 C PHE A 45 -1.504 10.072 7.146 1.00 0.00 C ATOM 612 O PHE A 45 -2.370 9.727 7.947 1.00 0.00 O ATOM 613 CB PHE A 45 -0.433 8.025 6.205 1.00 0.00 C ATOM 614 CG PHE A 45 -0.904 6.691 5.644 1.00 0.00 C ATOM 615 CD1 PHE A 45 -2.044 6.073 6.195 1.00 0.00 C ATOM 616 CD2 PHE A 45 -0.162 6.008 4.659 1.00 0.00 C ATOM 617 CE1 PHE A 45 -2.435 4.801 5.753 1.00 0.00 C ATOM 618 CE2 PHE A 45 -0.543 4.720 4.247 1.00 0.00 C ATOM 619 CZ PHE A 45 -1.695 4.124 4.778 1.00 0.00 C ATOM 0 H PHE A 45 0.133 9.646 4.390 1.00 0.00 H new ATOM 0 HA PHE A 45 -2.283 8.926 5.509 1.00 0.00 H new ATOM 0 HB2 PHE A 45 0.577 8.212 5.841 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -0.370 7.938 7.290 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -2.617 6.579 6.958 1.00 0.00 H new ATOM 0 HD2 PHE A 45 0.705 6.478 4.218 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -3.317 4.339 6.170 1.00 0.00 H new ATOM 0 HE2 PHE A 45 0.053 4.188 3.520 1.00 0.00 H new ATOM 0 HZ PHE A 45 -2.009 3.149 4.437 1.00 0.00 H new ATOM 628 N SER A 46 -0.737 11.147 7.348 1.00 0.00 N ATOM 629 CA SER A 46 -0.879 12.022 8.521 1.00 0.00 C ATOM 630 C SER A 46 -2.247 12.729 8.603 1.00 0.00 C ATOM 631 O SER A 46 -2.638 13.152 9.692 1.00 0.00 O ATOM 632 CB SER A 46 0.246 13.069 8.547 1.00 0.00 C ATOM 633 OG SER A 46 1.520 12.482 8.803 1.00 0.00 O ATOM 0 H SER A 46 -0.000 11.437 6.705 1.00 0.00 H new ATOM 0 HA SER A 46 -0.809 11.370 9.392 1.00 0.00 H new ATOM 0 HB2 SER A 46 0.274 13.593 7.592 1.00 0.00 H new ATOM 0 HB3 SER A 46 0.030 13.814 9.313 1.00 0.00 H new ATOM 0 HG SER A 46 1.844 12.038 7.992 1.00 0.00 H new ATOM 638 N ASP A 47 -3.006 12.817 7.496 1.00 0.00 N ATOM 639 CA ASP A 47 -4.386 13.334 7.488 1.00 0.00 C ATOM 640 C ASP A 47 -5.454 12.220 7.490 1.00 0.00 C ATOM 641 O ASP A 47 -6.635 12.500 7.699 1.00 0.00 O ATOM 642 CB ASP A 47 -4.547 14.264 6.277 1.00 0.00 C ATOM 643 CG ASP A 47 -5.748 15.212 6.424 1.00 0.00 C ATOM 644 OD1 ASP A 47 -5.777 16.006 7.394 1.00 0.00 O ATOM 645 OD2 ASP A 47 -6.640 15.200 5.543 1.00 0.00 O ATOM 0 H ASP A 47 -2.676 12.529 6.575 1.00 0.00 H new ATOM 0 HA ASP A 47 -4.551 13.886 8.413 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -3.637 14.851 6.149 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -4.669 13.664 5.375 1.00 0.00 H new ATOM 649 N TYR A 48 -5.047 10.957 7.295 1.00 0.00 N ATOM 650 CA TYR A 48 -5.921 9.769 7.226 1.00 0.00 C ATOM 651 C TYR A 48 -5.469 8.600 8.143 1.00 0.00 C ATOM 652 O TYR A 48 -5.442 7.447 7.687 1.00 0.00 O ATOM 653 CB TYR A 48 -6.046 9.323 5.756 1.00 0.00 C ATOM 654 CG TYR A 48 -6.355 10.441 4.776 1.00 0.00 C ATOM 655 CD1 TYR A 48 -7.645 11.000 4.707 1.00 0.00 C ATOM 656 CD2 TYR A 48 -5.324 10.982 3.982 1.00 0.00 C ATOM 657 CE1 TYR A 48 -7.906 12.083 3.847 1.00 0.00 C ATOM 658 CE2 TYR A 48 -5.563 12.104 3.169 1.00 0.00 C ATOM 659 CZ TYR A 48 -6.857 12.655 3.094 1.00 0.00 C ATOM 660 OH TYR A 48 -7.088 13.748 2.312 1.00 0.00 O ATOM 0 H TYR A 48 -4.062 10.722 7.176 1.00 0.00 H new ATOM 0 HA TYR A 48 -6.898 10.058 7.612 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -5.114 8.843 5.456 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -6.830 8.569 5.685 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -8.439 10.596 5.317 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -4.343 10.531 3.998 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -8.908 12.477 3.763 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -4.755 12.543 2.603 1.00 0.00 H new ATOM 0 HH TYR A 48 -6.257 14.012 1.864 1.00 0.00 H new ATOM 669 N PRO A 49 -5.135 8.839 9.434 1.00 0.00 N ATOM 670 CA PRO A 49 -4.600 7.809 10.330 1.00 0.00 C ATOM 671 C PRO A 49 -5.567 6.633 10.578 1.00 0.00 C ATOM 672 O PRO A 49 -5.116 5.573 11.000 1.00 0.00 O ATOM 673 CB PRO A 49 -4.256 8.536 11.634 1.00 0.00 C ATOM 674 CG PRO A 49 -5.210 9.730 11.644 1.00 0.00 C ATOM 675 CD PRO A 49 -5.289 10.093 10.167 1.00 0.00 C ATOM 0 HA PRO A 49 -3.729 7.338 9.875 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -4.408 7.895 12.502 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -3.214 8.855 11.652 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -6.186 9.467 12.051 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -4.825 10.554 12.245 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -6.242 10.567 9.932 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -4.506 10.801 9.897 1.00 0.00 H new ATOM 680 N GLU A 50 -6.869 6.788 10.299 1.00 0.00 N ATOM 681 CA GLU A 50 -7.854 5.699 10.342 1.00 0.00 C ATOM 682 C GLU A 50 -7.668 4.628 9.247 1.00 0.00 C ATOM 683 O GLU A 50 -8.246 3.543 9.350 1.00 0.00 O ATOM 684 CB GLU A 50 -9.279 6.285 10.315 1.00 0.00 C ATOM 685 CG GLU A 50 -9.656 6.959 8.987 1.00 0.00 C ATOM 686 CD GLU A 50 -11.047 7.608 9.088 1.00 0.00 C ATOM 687 OE1 GLU A 50 -12.067 6.918 8.839 1.00 0.00 O ATOM 688 OE2 GLU A 50 -11.122 8.808 9.443 1.00 0.00 O ATOM 0 H GLU A 50 -7.273 7.686 10.033 1.00 0.00 H new ATOM 0 HA GLU A 50 -7.688 5.169 11.280 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -9.992 5.487 10.520 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -9.376 7.014 11.120 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -8.913 7.715 8.732 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -9.649 6.222 8.184 1.00 0.00 H new ATOM 693 N VAL A 51 -6.869 4.903 8.208 1.00 0.00 N ATOM 694 CA VAL A 51 -6.483 3.937 7.168 1.00 0.00 C ATOM 695 C VAL A 51 -5.265 3.135 7.671 1.00 0.00 C ATOM 696 O VAL A 51 -4.355 3.716 8.272 1.00 0.00 O ATOM 697 CB VAL A 51 -6.185 4.639 5.815 1.00 0.00 C ATOM 698 CG1 VAL A 51 -5.840 3.656 4.682 1.00 0.00 C ATOM 699 CG2 VAL A 51 -7.388 5.487 5.359 1.00 0.00 C ATOM 0 H VAL A 51 -6.462 5.827 8.063 1.00 0.00 H new ATOM 0 HA VAL A 51 -7.314 3.257 6.981 1.00 0.00 H new ATOM 0 HB VAL A 51 -5.314 5.268 6.002 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -5.643 4.212 3.765 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -4.955 3.082 4.955 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -6.678 2.977 4.522 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -7.155 5.968 4.409 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -8.260 4.845 5.236 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -7.601 6.249 6.109 1.00 0.00 H new ATOM 709 N GLY A 52 -5.232 1.817 7.434 1.00 0.00 N ATOM 710 CA GLY A 52 -4.103 0.938 7.773 1.00 0.00 C ATOM 711 C GLY A 52 -3.075 0.836 6.647 1.00 0.00 C ATOM 712 O GLY A 52 -3.424 1.029 5.484 1.00 0.00 O ATOM 0 H GLY A 52 -6.006 1.321 6.992 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -3.614 1.312 8.673 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -4.480 -0.058 8.006 1.00 0.00 H new ATOM 716 N HIS A 53 -1.820 0.505 6.959 1.00 0.00 N ATOM 717 CA HIS A 53 -0.774 0.308 5.948 1.00 0.00 C ATOM 718 C HIS A 53 -0.038 -1.034 6.127 1.00 0.00 C ATOM 719 O HIS A 53 0.665 -1.232 7.125 1.00 0.00 O ATOM 720 CB HIS A 53 0.229 1.480 6.005 1.00 0.00 C ATOM 721 CG HIS A 53 0.960 1.759 4.704 1.00 0.00 C ATOM 722 ND1 HIS A 53 2.134 2.468 4.563 1.00 0.00 N ATOM 723 CD2 HIS A 53 0.521 1.487 3.434 1.00 0.00 C ATOM 724 CE1 HIS A 53 2.379 2.610 3.244 1.00 0.00 C ATOM 725 NE2 HIS A 53 1.401 2.059 2.516 1.00 0.00 N ATOM 0 H HIS A 53 -1.499 0.366 7.917 1.00 0.00 H new ATOM 0 HA HIS A 53 -1.256 0.282 4.971 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -0.305 2.382 6.306 1.00 0.00 H new ATOM 0 HB3 HIS A 53 0.965 1.272 6.781 1.00 0.00 H new ATOM 0 HD1 HIS A 53 2.715 2.823 5.322 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -0.364 0.921 3.185 1.00 0.00 H new ATOM 0 HE1 HIS A 53 3.247 3.102 2.831 1.00 0.00 H new ATOM 733 N LEU A 54 -0.147 -1.940 5.151 1.00 0.00 N ATOM 734 CA LEU A 54 0.587 -3.206 5.102 1.00 0.00 C ATOM 735 C LEU A 54 1.795 -3.060 4.170 1.00 0.00 C ATOM 736 O LEU A 54 1.636 -2.920 2.960 1.00 0.00 O ATOM 737 CB LEU A 54 -0.380 -4.327 4.671 1.00 0.00 C ATOM 738 CG LEU A 54 0.270 -5.703 4.400 1.00 0.00 C ATOM 739 CD1 LEU A 54 1.039 -6.258 5.607 1.00 0.00 C ATOM 740 CD2 LEU A 54 -0.819 -6.703 3.994 1.00 0.00 C ATOM 0 H LEU A 54 -0.766 -1.808 4.351 1.00 0.00 H new ATOM 0 HA LEU A 54 0.978 -3.474 6.084 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -1.135 -4.449 5.447 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -0.900 -4.007 3.768 1.00 0.00 H new ATOM 0 HG LEU A 54 0.995 -5.561 3.598 1.00 0.00 H new ATOM 0 HD11 LEU A 54 1.470 -7.225 5.350 1.00 0.00 H new ATOM 0 HD12 LEU A 54 1.836 -5.566 5.880 1.00 0.00 H new ATOM 0 HD13 LEU A 54 0.357 -6.377 6.449 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -0.366 -7.676 3.801 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -1.547 -6.795 4.800 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -1.319 -6.350 3.092 1.00 0.00 H new ATOM 751 N LYS A 55 3.011 -3.115 4.726 1.00 0.00 N ATOM 752 CA LYS A 55 4.258 -3.007 3.962 1.00 0.00 C ATOM 753 C LYS A 55 4.788 -4.397 3.575 1.00 0.00 C ATOM 754 O LYS A 55 5.414 -5.081 4.388 1.00 0.00 O ATOM 755 CB LYS A 55 5.330 -2.287 4.786 1.00 0.00 C ATOM 756 CG LYS A 55 5.146 -0.797 5.040 1.00 0.00 C ATOM 757 CD LYS A 55 4.106 -0.410 6.097 1.00 0.00 C ATOM 758 CE LYS A 55 4.322 -1.094 7.452 1.00 0.00 C ATOM 759 NZ LYS A 55 3.246 -0.775 8.423 1.00 0.00 N ATOM 0 H LYS A 55 3.158 -3.237 5.728 1.00 0.00 H new ATOM 0 HA LYS A 55 4.040 -2.438 3.058 1.00 0.00 H new ATOM 0 HB2 LYS A 55 5.401 -2.786 5.753 1.00 0.00 H new ATOM 0 HB3 LYS A 55 6.288 -2.426 4.285 1.00 0.00 H new ATOM 0 HG2 LYS A 55 6.108 -0.380 5.338 1.00 0.00 H new ATOM 0 HG3 LYS A 55 4.870 -0.321 4.099 1.00 0.00 H new ATOM 0 HD2 LYS A 55 4.128 0.671 6.238 1.00 0.00 H new ATOM 0 HD3 LYS A 55 3.113 -0.663 5.726 1.00 0.00 H new ATOM 0 HE2 LYS A 55 4.370 -2.173 7.308 1.00 0.00 H new ATOM 0 HE3 LYS A 55 5.283 -0.785 7.863 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 3.330 -1.398 9.252 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 3.333 0.216 8.725 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 2.319 -0.920 7.974 1.00 0.00 H new ATOM 769 N VAL A 56 4.555 -4.808 2.336 1.00 0.00 N ATOM 770 CA VAL A 56 4.929 -6.123 1.795 1.00 0.00 C ATOM 771 C VAL A 56 6.326 -6.064 1.206 1.00 0.00 C ATOM 772 O VAL A 56 6.569 -5.361 0.218 1.00 0.00 O ATOM 773 CB VAL A 56 3.927 -6.595 0.715 1.00 0.00 C ATOM 774 CG1 VAL A 56 4.247 -8.018 0.228 1.00 0.00 C ATOM 775 CG2 VAL A 56 2.480 -6.549 1.220 1.00 0.00 C ATOM 0 H VAL A 56 4.084 -4.219 1.649 1.00 0.00 H new ATOM 0 HA VAL A 56 4.908 -6.840 2.615 1.00 0.00 H new ATOM 0 HB VAL A 56 4.030 -5.902 -0.120 1.00 0.00 H new ATOM 0 HG11 VAL A 56 3.522 -8.315 -0.530 1.00 0.00 H new ATOM 0 HG12 VAL A 56 5.249 -8.039 -0.200 1.00 0.00 H new ATOM 0 HG13 VAL A 56 4.197 -8.710 1.069 1.00 0.00 H new ATOM 0 HG21 VAL A 56 1.808 -6.888 0.431 1.00 0.00 H new ATOM 0 HG22 VAL A 56 2.377 -7.199 2.089 1.00 0.00 H new ATOM 0 HG23 VAL A 56 2.224 -5.527 1.499 1.00 0.00 H new ATOM 785 N GLU A 57 7.232 -6.813 1.830 1.00 0.00 N ATOM 786 CA GLU A 57 8.618 -6.903 1.408 1.00 0.00 C ATOM 787 C GLU A 57 8.747 -7.809 0.176 1.00 0.00 C ATOM 788 O GLU A 57 8.565 -9.026 0.257 1.00 0.00 O ATOM 789 CB GLU A 57 9.492 -7.370 2.574 1.00 0.00 C ATOM 790 CG GLU A 57 10.924 -6.920 2.338 1.00 0.00 C ATOM 791 CD GLU A 57 11.876 -7.467 3.412 1.00 0.00 C ATOM 792 OE1 GLU A 57 11.797 -7.018 4.579 1.00 0.00 O ATOM 793 OE2 GLU A 57 12.727 -8.334 3.089 1.00 0.00 O ATOM 0 H GLU A 57 7.017 -7.379 2.651 1.00 0.00 H new ATOM 0 HA GLU A 57 8.973 -5.916 1.112 1.00 0.00 H new ATOM 0 HB2 GLU A 57 9.119 -6.958 3.511 1.00 0.00 H new ATOM 0 HB3 GLU A 57 9.450 -8.455 2.664 1.00 0.00 H new ATOM 0 HG2 GLU A 57 11.253 -7.256 1.355 1.00 0.00 H new ATOM 0 HG3 GLU A 57 10.967 -5.831 2.334 1.00 0.00 H new ATOM 894 N GLY A 65 2.478 -9.544 -4.171 1.00 0.00 N ATOM 895 CA GLY A 65 2.469 -8.629 -5.332 1.00 0.00 C ATOM 896 C GLY A 65 2.236 -9.325 -6.678 1.00 0.00 C ATOM 897 O GLY A 65 1.677 -8.719 -7.599 1.00 0.00 O ATOM 0 HA2 GLY A 65 1.692 -7.879 -5.184 1.00 0.00 H new ATOM 0 HA3 GLY A 65 3.420 -8.098 -5.370 1.00 0.00 H new ATOM 901 N ARG A 66 2.575 -10.618 -6.769 1.00 0.00 N ATOM 902 CA ARG A 66 2.177 -11.527 -7.857 1.00 0.00 C ATOM 903 C ARG A 66 0.649 -11.641 -7.958 1.00 0.00 C ATOM 904 O ARG A 66 0.081 -11.473 -9.033 1.00 0.00 O ATOM 905 CB ARG A 66 2.827 -12.897 -7.602 1.00 0.00 C ATOM 906 CG ARG A 66 2.438 -13.968 -8.633 1.00 0.00 C ATOM 907 CD ARG A 66 3.139 -15.307 -8.337 1.00 0.00 C ATOM 908 NE ARG A 66 2.569 -16.404 -9.153 1.00 0.00 N ATOM 909 CZ ARG A 66 2.833 -16.698 -10.425 1.00 0.00 C ATOM 910 NH1 ARG A 66 3.684 -15.996 -11.142 1.00 0.00 N ATOM 911 NH2 ARG A 66 2.224 -17.709 -11.005 1.00 0.00 N ATOM 0 H ARG A 66 3.153 -11.077 -6.065 1.00 0.00 H new ATOM 0 HA ARG A 66 2.521 -11.131 -8.812 1.00 0.00 H new ATOM 0 HB2 ARG A 66 3.911 -12.781 -7.604 1.00 0.00 H new ATOM 0 HB3 ARG A 66 2.545 -13.243 -6.608 1.00 0.00 H new ATOM 0 HG2 ARG A 66 1.357 -14.110 -8.623 1.00 0.00 H new ATOM 0 HG3 ARG A 66 2.706 -13.628 -9.633 1.00 0.00 H new ATOM 0 HD2 ARG A 66 4.206 -15.215 -8.542 1.00 0.00 H new ATOM 0 HD3 ARG A 66 3.037 -15.547 -7.279 1.00 0.00 H new ATOM 0 HE ARG A 66 1.893 -17.007 -8.684 1.00 0.00 H new ATOM 0 HH11 ARG A 66 4.165 -15.199 -10.726 1.00 0.00 H new ATOM 0 HH12 ARG A 66 3.863 -16.249 -12.114 1.00 0.00 H new ATOM 0 HH21 ARG A 66 1.550 -18.267 -10.481 1.00 0.00 H new ATOM 0 HH22 ARG A 66 2.425 -17.935 -11.979 1.00 0.00 H new ATOM 922 N SER A 67 -0.038 -11.859 -6.840 1.00 0.00 N ATOM 923 CA SER A 67 -1.497 -12.032 -6.776 1.00 0.00 C ATOM 924 C SER A 67 -2.241 -10.729 -7.081 1.00 0.00 C ATOM 925 O SER A 67 -3.355 -10.764 -7.601 1.00 0.00 O ATOM 926 CB SER A 67 -1.900 -12.542 -5.386 1.00 0.00 C ATOM 927 OG SER A 67 -1.141 -13.691 -5.026 1.00 0.00 O ATOM 0 H SER A 67 0.411 -11.923 -5.926 1.00 0.00 H new ATOM 0 HA SER A 67 -1.776 -12.761 -7.536 1.00 0.00 H new ATOM 0 HB2 SER A 67 -1.748 -11.755 -4.647 1.00 0.00 H new ATOM 0 HB3 SER A 67 -2.962 -12.786 -5.378 1.00 0.00 H new ATOM 0 HG SER A 67 -1.414 -13.997 -4.136 1.00 0.00 H new ATOM 932 N PHE A 68 -1.608 -9.573 -6.838 1.00 0.00 N ATOM 933 CA PHE A 68 -2.113 -8.255 -7.215 1.00 0.00 C ATOM 934 C PHE A 68 -1.795 -7.848 -8.660 1.00 0.00 C ATOM 935 O PHE A 68 -2.328 -6.840 -9.129 1.00 0.00 O ATOM 936 CB PHE A 68 -1.589 -7.211 -6.221 1.00 0.00 C ATOM 937 CG PHE A 68 -2.439 -7.164 -4.976 1.00 0.00 C ATOM 938 CD1 PHE A 68 -3.627 -6.418 -4.986 1.00 0.00 C ATOM 939 CD2 PHE A 68 -2.075 -7.897 -3.833 1.00 0.00 C ATOM 940 CE1 PHE A 68 -4.449 -6.384 -3.847 1.00 0.00 C ATOM 941 CE2 PHE A 68 -2.875 -7.835 -2.679 1.00 0.00 C ATOM 942 CZ PHE A 68 -4.062 -7.080 -2.689 1.00 0.00 C ATOM 0 H PHE A 68 -0.707 -9.533 -6.361 1.00 0.00 H new ATOM 0 HA PHE A 68 -3.201 -8.308 -7.172 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -0.559 -7.447 -5.952 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -1.578 -6.229 -6.694 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -3.910 -5.868 -5.871 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -1.183 -8.506 -3.842 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -5.373 -5.826 -3.861 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -2.579 -8.366 -1.786 1.00 0.00 H new ATOM 0 HZ PHE A 68 -4.678 -7.035 -1.803 1.00 0.00 H new ATOM 951 N GLN A 69 -0.945 -8.602 -9.364 1.00 0.00 N ATOM 952 CA GLN A 69 -0.472 -8.307 -10.725 1.00 0.00 C ATOM 953 C GLN A 69 0.190 -6.917 -10.762 1.00 0.00 C ATOM 954 O GLN A 69 -0.122 -6.103 -11.628 1.00 0.00 O ATOM 955 CB GLN A 69 -1.595 -8.460 -11.778 1.00 0.00 C ATOM 956 CG GLN A 69 -2.369 -9.791 -11.737 1.00 0.00 C ATOM 957 CD GLN A 69 -3.829 -9.576 -11.331 1.00 0.00 C ATOM 958 OE1 GLN A 69 -4.700 -9.308 -12.149 1.00 0.00 O ATOM 959 NE2 GLN A 69 -4.158 -9.651 -10.057 1.00 0.00 N ATOM 0 H GLN A 69 -0.552 -9.466 -8.991 1.00 0.00 H new ATOM 0 HA GLN A 69 0.284 -9.045 -10.995 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -2.305 -7.643 -11.647 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -1.157 -8.346 -12.769 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -2.329 -10.267 -12.717 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -1.890 -10.471 -11.032 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -3.448 -9.873 -9.359 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -5.123 -9.487 -9.769 1.00 0.00 H new ATOM 966 N VAL A 70 1.038 -6.608 -9.773 1.00 0.00 N ATOM 967 CA VAL A 70 1.646 -5.271 -9.567 1.00 0.00 C ATOM 968 C VAL A 70 2.331 -4.760 -10.858 1.00 0.00 C ATOM 969 O VAL A 70 3.133 -5.469 -11.464 1.00 0.00 O ATOM 970 CB VAL A 70 2.617 -5.311 -8.356 1.00 0.00 C ATOM 971 CG1 VAL A 70 3.606 -4.129 -8.316 1.00 0.00 C ATOM 972 CG2 VAL A 70 1.815 -5.321 -7.044 1.00 0.00 C ATOM 0 H VAL A 70 1.332 -7.290 -9.074 1.00 0.00 H new ATOM 0 HA VAL A 70 0.857 -4.555 -9.336 1.00 0.00 H new ATOM 0 HB VAL A 70 3.203 -6.223 -8.471 1.00 0.00 H new ATOM 0 HG11 VAL A 70 4.252 -4.224 -7.443 1.00 0.00 H new ATOM 0 HG12 VAL A 70 4.215 -4.133 -9.220 1.00 0.00 H new ATOM 0 HG13 VAL A 70 3.051 -3.192 -8.256 1.00 0.00 H new ATOM 0 HG21 VAL A 70 2.502 -5.349 -6.198 1.00 0.00 H new ATOM 0 HG22 VAL A 70 1.203 -4.421 -6.985 1.00 0.00 H new ATOM 0 HG23 VAL A 70 1.171 -6.200 -7.018 1.00 0.00 H new ATOM 982 N LYS A 71 1.973 -3.537 -11.278 1.00 0.00 N ATOM 983 CA LYS A 71 2.404 -2.889 -12.529 1.00 0.00 C ATOM 984 C LYS A 71 3.897 -2.497 -12.497 1.00 0.00 C ATOM 985 O LYS A 71 4.763 -3.335 -12.763 1.00 0.00 O ATOM 986 CB LYS A 71 1.490 -1.675 -12.809 1.00 0.00 C ATOM 987 CG LYS A 71 0.004 -1.964 -13.059 1.00 0.00 C ATOM 988 CD LYS A 71 -0.297 -2.787 -14.322 1.00 0.00 C ATOM 989 CE LYS A 71 -0.311 -4.299 -14.045 1.00 0.00 C ATOM 990 NZ LYS A 71 -0.549 -5.094 -15.281 1.00 0.00 N ATOM 0 H LYS A 71 1.347 -2.945 -10.731 1.00 0.00 H new ATOM 0 HA LYS A 71 2.305 -3.602 -13.348 1.00 0.00 H new ATOM 0 HB2 LYS A 71 1.564 -0.993 -11.962 1.00 0.00 H new ATOM 0 HB3 LYS A 71 1.883 -1.148 -13.678 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -0.398 -2.493 -12.195 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -0.528 -1.015 -13.127 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -1.263 -2.485 -14.728 1.00 0.00 H new ATOM 0 HD3 LYS A 71 0.451 -2.566 -15.083 1.00 0.00 H new ATOM 0 HE2 LYS A 71 0.640 -4.595 -13.602 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -1.087 -4.526 -13.314 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -0.550 -6.107 -15.047 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -1.468 -4.832 -15.691 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 0.205 -4.899 -15.970 1.00 0.00 H new ATOM 1000 N LEU A 72 4.204 -1.234 -12.173 1.00 0.00 N ATOM 1001 CA LEU A 72 5.544 -0.815 -11.769 1.00 0.00 C ATOM 1002 C LEU A 72 5.779 -1.281 -10.327 1.00 0.00 C ATOM 1003 O LEU A 72 4.840 -1.419 -9.543 1.00 0.00 O ATOM 1004 CB LEU A 72 5.677 0.713 -11.917 1.00 0.00 C ATOM 1005 CG LEU A 72 7.134 1.193 -12.070 1.00 0.00 C ATOM 1006 CD1 LEU A 72 7.705 0.852 -13.458 1.00 0.00 C ATOM 1007 CD2 LEU A 72 7.195 2.711 -11.851 1.00 0.00 C ATOM 0 H LEU A 72 3.524 -0.474 -12.185 1.00 0.00 H new ATOM 0 HA LEU A 72 6.305 -1.265 -12.406 1.00 0.00 H new ATOM 0 HB2 LEU A 72 5.103 1.037 -12.785 1.00 0.00 H new ATOM 0 HB3 LEU A 72 5.234 1.194 -11.045 1.00 0.00 H new ATOM 0 HG LEU A 72 7.738 0.677 -11.324 1.00 0.00 H new ATOM 0 HD11 LEU A 72 8.733 1.207 -13.526 1.00 0.00 H new ATOM 0 HD12 LEU A 72 7.683 -0.228 -13.605 1.00 0.00 H new ATOM 0 HD13 LEU A 72 7.103 1.335 -14.228 1.00 0.00 H new ATOM 0 HD21 LEU A 72 8.224 3.053 -11.959 1.00 0.00 H new ATOM 0 HD22 LEU A 72 6.568 3.211 -12.589 1.00 0.00 H new ATOM 0 HD23 LEU A 72 6.836 2.949 -10.849 1.00 0.00 H new ATOM 1018 N TRP A 73 7.029 -1.528 -9.966 1.00 0.00 N ATOM 1019 CA TRP A 73 7.371 -2.122 -8.671 1.00 0.00 C ATOM 1020 C TRP A 73 6.941 -1.283 -7.442 1.00 0.00 C ATOM 1021 O TRP A 73 6.363 -1.884 -6.530 1.00 0.00 O ATOM 1022 CB TRP A 73 8.867 -2.407 -8.699 1.00 0.00 C ATOM 1023 CG TRP A 73 9.372 -3.242 -7.578 1.00 0.00 C ATOM 1024 CD1 TRP A 73 9.339 -4.587 -7.511 1.00 0.00 C ATOM 1025 CD2 TRP A 73 10.007 -2.783 -6.353 1.00 0.00 C ATOM 1026 NE1 TRP A 73 9.933 -4.998 -6.338 1.00 0.00 N ATOM 1027 CE2 TRP A 73 10.403 -3.930 -5.600 1.00 0.00 C ATOM 1028 CE3 TRP A 73 10.296 -1.514 -5.818 1.00 0.00 C ATOM 1029 CZ2 TRP A 73 11.117 -3.822 -4.399 1.00 0.00 C ATOM 1030 CZ3 TRP A 73 10.973 -1.400 -4.591 1.00 0.00 C ATOM 1031 CH2 TRP A 73 11.416 -2.543 -3.900 1.00 0.00 C ATOM 0 H TRP A 73 7.836 -1.325 -10.556 1.00 0.00 H new ATOM 0 HA TRP A 73 6.801 -3.042 -8.539 1.00 0.00 H new ATOM 0 HB2 TRP A 73 9.109 -2.904 -9.639 1.00 0.00 H new ATOM 0 HB3 TRP A 73 9.402 -1.457 -8.694 1.00 0.00 H new ATOM 0 HD1 TRP A 73 8.914 -5.240 -8.259 1.00 0.00 H new ATOM 0 HE1 TRP A 73 10.016 -5.973 -6.050 1.00 0.00 H new ATOM 0 HE3 TRP A 73 9.997 -0.624 -6.352 1.00 0.00 H new ATOM 0 HZ2 TRP A 73 11.432 -4.707 -3.866 1.00 0.00 H new ATOM 0 HZ3 TRP A 73 11.156 -0.421 -4.173 1.00 0.00 H new ATOM 0 HH2 TRP A 73 11.985 -2.437 -2.988 1.00 0.00 H new ATOM 1041 N PRO A 74 7.158 0.057 -7.381 1.00 0.00 N ATOM 1042 CA PRO A 74 6.665 0.877 -6.280 1.00 0.00 C ATOM 1043 C PRO A 74 5.177 1.186 -6.492 1.00 0.00 C ATOM 1044 O PRO A 74 4.811 2.144 -7.175 1.00 0.00 O ATOM 1045 CB PRO A 74 7.539 2.130 -6.267 1.00 0.00 C ATOM 1046 CG PRO A 74 7.857 2.334 -7.746 1.00 0.00 C ATOM 1047 CD PRO A 74 7.934 0.902 -8.283 1.00 0.00 C ATOM 0 HA PRO A 74 6.730 0.376 -5.314 1.00 0.00 H new ATOM 0 HB2 PRO A 74 7.013 2.986 -5.844 1.00 0.00 H new ATOM 0 HB3 PRO A 74 8.443 1.987 -5.675 1.00 0.00 H new ATOM 0 HG2 PRO A 74 7.082 2.913 -8.249 1.00 0.00 H new ATOM 0 HG3 PRO A 74 8.796 2.869 -7.887 1.00 0.00 H new ATOM 0 HD2 PRO A 74 7.535 0.850 -9.296 1.00 0.00 H new ATOM 0 HD3 PRO A 74 8.969 0.565 -8.330 1.00 0.00 H new ATOM 1052 N THR A 75 4.318 0.352 -5.897 1.00 0.00 N ATOM 1053 CA THR A 75 2.861 0.389 -6.055 1.00 0.00 C ATOM 1054 C THR A 75 2.215 0.083 -4.723 1.00 0.00 C ATOM 1055 O THR A 75 2.731 -0.710 -3.929 1.00 0.00 O ATOM 1056 CB THR A 75 2.428 -0.636 -7.111 1.00 0.00 C ATOM 1057 OG1 THR A 75 2.788 -0.140 -8.378 1.00 0.00 O ATOM 1058 CG2 THR A 75 0.919 -0.909 -7.180 1.00 0.00 C ATOM 0 H THR A 75 4.628 -0.392 -5.272 1.00 0.00 H new ATOM 0 HA THR A 75 2.547 1.379 -6.387 1.00 0.00 H new ATOM 0 HB THR A 75 2.919 -1.567 -6.827 1.00 0.00 H new ATOM 0 HG1 THR A 75 3.626 -0.558 -8.667 1.00 0.00 H new ATOM 0 HG21 THR A 75 0.718 -1.647 -7.957 1.00 0.00 H new ATOM 0 HG22 THR A 75 0.574 -1.291 -6.219 1.00 0.00 H new ATOM 0 HG23 THR A 75 0.392 0.016 -7.413 1.00 0.00 H new ATOM 1066 N PHE A 76 1.056 0.693 -4.499 1.00 0.00 N ATOM 1067 CA PHE A 76 0.216 0.442 -3.339 1.00 0.00 C ATOM 1068 C PHE A 76 -1.266 0.363 -3.747 1.00 0.00 C ATOM 1069 O PHE A 76 -1.782 1.230 -4.457 1.00 0.00 O ATOM 1070 CB PHE A 76 0.497 1.472 -2.229 1.00 0.00 C ATOM 1071 CG PHE A 76 0.913 2.840 -2.695 1.00 0.00 C ATOM 1072 CD1 PHE A 76 2.254 3.071 -3.066 1.00 0.00 C ATOM 1073 CD2 PHE A 76 -0.038 3.861 -2.790 1.00 0.00 C ATOM 1074 CE1 PHE A 76 2.630 4.309 -3.597 1.00 0.00 C ATOM 1075 CE2 PHE A 76 0.357 5.112 -3.271 1.00 0.00 C ATOM 1076 CZ PHE A 76 1.671 5.324 -3.708 1.00 0.00 C ATOM 0 H PHE A 76 0.668 1.390 -5.134 1.00 0.00 H new ATOM 0 HA PHE A 76 0.466 -0.532 -2.917 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -0.400 1.574 -1.619 1.00 0.00 H new ATOM 0 HB3 PHE A 76 1.279 1.076 -1.582 1.00 0.00 H new ATOM 0 HD1 PHE A 76 2.991 2.292 -2.940 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -1.062 3.685 -2.496 1.00 0.00 H new ATOM 0 HE1 PHE A 76 3.647 4.480 -3.917 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -0.356 5.922 -3.306 1.00 0.00 H new ATOM 0 HZ PHE A 76 1.947 6.277 -4.134 1.00 0.00 H new ATOM 1085 N VAL A 77 -1.919 -0.720 -3.316 1.00 0.00 N ATOM 1086 CA VAL A 77 -3.292 -1.104 -3.671 1.00 0.00 C ATOM 1087 C VAL A 77 -4.203 -0.872 -2.468 1.00 0.00 C ATOM 1088 O VAL A 77 -3.952 -1.408 -1.390 1.00 0.00 O ATOM 1089 CB VAL A 77 -3.352 -2.575 -4.149 1.00 0.00 C ATOM 1090 CG1 VAL A 77 -4.766 -2.939 -4.621 1.00 0.00 C ATOM 1091 CG2 VAL A 77 -2.373 -2.826 -5.315 1.00 0.00 C ATOM 0 H VAL A 77 -1.485 -1.387 -2.678 1.00 0.00 H new ATOM 0 HA VAL A 77 -3.636 -0.486 -4.500 1.00 0.00 H new ATOM 0 HB VAL A 77 -3.072 -3.196 -3.298 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -4.783 -3.977 -4.952 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -5.469 -2.809 -3.798 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -5.052 -2.290 -5.449 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -2.439 -3.868 -5.628 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -2.632 -2.179 -6.153 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -1.356 -2.609 -4.989 1.00 0.00 H new ATOM 1101 N PHE A 78 -5.235 -0.043 -2.640 1.00 0.00 N ATOM 1102 CA PHE A 78 -6.200 0.316 -1.593 1.00 0.00 C ATOM 1103 C PHE A 78 -7.288 -0.764 -1.519 1.00 0.00 C ATOM 1104 O PHE A 78 -7.997 -1.007 -2.503 1.00 0.00 O ATOM 1105 CB PHE A 78 -6.809 1.705 -1.863 1.00 0.00 C ATOM 1106 CG PHE A 78 -5.836 2.875 -1.830 1.00 0.00 C ATOM 1107 CD1 PHE A 78 -4.930 3.065 -2.892 1.00 0.00 C ATOM 1108 CD2 PHE A 78 -5.783 3.750 -0.723 1.00 0.00 C ATOM 1109 CE1 PHE A 78 -3.965 4.078 -2.842 1.00 0.00 C ATOM 1110 CE2 PHE A 78 -4.834 4.791 -0.690 1.00 0.00 C ATOM 1111 CZ PHE A 78 -3.928 4.952 -1.752 1.00 0.00 C ATOM 0 H PHE A 78 -5.429 0.410 -3.533 1.00 0.00 H new ATOM 0 HA PHE A 78 -5.689 0.369 -0.632 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -7.291 1.685 -2.841 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -7.591 1.887 -1.126 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -4.981 2.420 -3.757 1.00 0.00 H new ATOM 0 HD2 PHE A 78 -6.471 3.621 0.100 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -3.250 4.184 -3.645 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -4.803 5.466 0.153 1.00 0.00 H new ATOM 0 HZ PHE A 78 -3.203 5.752 -1.726 1.00 0.00 H new ATOM 1120 N LEU A 79 -7.430 -1.407 -0.358 1.00 0.00 N ATOM 1121 CA LEU A 79 -8.450 -2.425 -0.092 1.00 0.00 C ATOM 1122 C LEU A 79 -9.501 -1.906 0.888 1.00 0.00 C ATOM 1123 O LEU A 79 -9.242 -1.034 1.721 1.00 0.00 O ATOM 1124 CB LEU A 79 -7.840 -3.729 0.463 1.00 0.00 C ATOM 1125 CG LEU A 79 -7.254 -4.676 -0.589 1.00 0.00 C ATOM 1126 CD1 LEU A 79 -6.073 -4.048 -1.323 1.00 0.00 C ATOM 1127 CD2 LEU A 79 -6.846 -5.990 0.082 1.00 0.00 C ATOM 0 H LEU A 79 -6.824 -1.230 0.443 1.00 0.00 H new ATOM 0 HA LEU A 79 -8.921 -2.646 -1.050 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -7.054 -3.470 1.173 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -8.610 -4.263 1.020 1.00 0.00 H new ATOM 0 HG LEU A 79 -8.020 -4.875 -1.338 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -5.687 -4.752 -2.060 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -6.400 -3.138 -1.827 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -5.288 -3.805 -0.607 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -6.429 -6.666 -0.665 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -6.098 -5.790 0.849 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -7.721 -6.451 0.540 1.00 0.00 H new ATOM 1138 N ARG A 80 -10.677 -2.517 0.803 1.00 0.00 N ATOM 1139 CA ARG A 80 -11.828 -2.336 1.695 1.00 0.00 C ATOM 1140 C ARG A 80 -12.803 -3.504 1.493 1.00 0.00 C ATOM 1141 O ARG A 80 -12.997 -3.963 0.366 1.00 0.00 O ATOM 1142 CB ARG A 80 -12.508 -0.986 1.415 1.00 0.00 C ATOM 1143 CG ARG A 80 -13.289 -0.471 2.624 1.00 0.00 C ATOM 1144 CD ARG A 80 -13.936 0.894 2.312 1.00 0.00 C ATOM 1145 NE ARG A 80 -15.057 0.781 1.357 1.00 0.00 N ATOM 1146 CZ ARG A 80 -16.301 0.387 1.617 1.00 0.00 C ATOM 1147 NH1 ARG A 80 -16.682 0.004 2.821 1.00 0.00 N ATOM 1148 NH2 ARG A 80 -17.191 0.361 0.645 1.00 0.00 N ATOM 0 H ARG A 80 -10.869 -3.195 0.066 1.00 0.00 H new ATOM 0 HA ARG A 80 -11.498 -2.329 2.734 1.00 0.00 H new ATOM 0 HB2 ARG A 80 -11.753 -0.252 1.133 1.00 0.00 H new ATOM 0 HB3 ARG A 80 -13.183 -1.091 0.566 1.00 0.00 H new ATOM 0 HG2 ARG A 80 -14.060 -1.191 2.899 1.00 0.00 H new ATOM 0 HG3 ARG A 80 -12.622 -0.376 3.481 1.00 0.00 H new ATOM 0 HD2 ARG A 80 -14.295 1.343 3.238 1.00 0.00 H new ATOM 0 HD3 ARG A 80 -13.181 1.566 1.904 1.00 0.00 H new ATOM 0 HE ARG A 80 -14.855 1.033 0.390 1.00 0.00 H new ATOM 0 HH11 ARG A 80 -16.013 0.003 3.591 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -17.645 -0.291 2.981 1.00 0.00 H new ATOM 0 HH21 ARG A 80 -16.924 0.642 -0.299 1.00 0.00 H new ATOM 0 HH22 ARG A 80 -18.147 0.060 0.836 1.00 0.00 H new ATOM 1159 N ASP A 81 -13.375 -4.016 2.582 1.00 0.00 N ATOM 1160 CA ASP A 81 -14.323 -5.152 2.582 1.00 0.00 C ATOM 1161 C ASP A 81 -13.694 -6.475 2.075 1.00 0.00 C ATOM 1162 O ASP A 81 -14.396 -7.373 1.608 1.00 0.00 O ATOM 1163 CB ASP A 81 -15.605 -4.762 1.819 1.00 0.00 C ATOM 1164 CG ASP A 81 -16.808 -5.666 2.148 1.00 0.00 C ATOM 1165 OD1 ASP A 81 -17.094 -5.886 3.351 1.00 0.00 O ATOM 1166 OD2 ASP A 81 -17.502 -6.115 1.205 1.00 0.00 O ATOM 0 H ASP A 81 -13.194 -3.650 3.517 1.00 0.00 H new ATOM 0 HA ASP A 81 -14.594 -5.363 3.617 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -15.860 -3.729 2.055 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -15.409 -4.805 0.748 1.00 0.00 H new ATOM 1170 N GLY A 82 -12.359 -6.576 2.121 1.00 0.00 N ATOM 1171 CA GLY A 82 -11.576 -7.714 1.631 1.00 0.00 C ATOM 1172 C GLY A 82 -11.233 -7.661 0.133 1.00 0.00 C ATOM 1173 O GLY A 82 -10.503 -8.533 -0.339 1.00 0.00 O ATOM 0 H GLY A 82 -11.775 -5.839 2.516 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -10.648 -7.771 2.200 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -12.130 -8.631 1.831 1.00 0.00 H new ATOM 1177 N ARG A 83 -11.730 -6.664 -0.612 1.00 0.00 N ATOM 1178 CA ARG A 83 -11.522 -6.463 -2.046 1.00 0.00 C ATOM 1179 C ARG A 83 -10.676 -5.205 -2.299 1.00 0.00 C ATOM 1180 O ARG A 83 -10.654 -4.289 -1.479 1.00 0.00 O ATOM 1181 CB ARG A 83 -12.902 -6.302 -2.716 1.00 0.00 C ATOM 1182 CG ARG A 83 -12.899 -6.805 -4.172 1.00 0.00 C ATOM 1183 CD ARG A 83 -14.057 -6.221 -4.990 1.00 0.00 C ATOM 1184 NE ARG A 83 -13.810 -4.801 -5.284 1.00 0.00 N ATOM 1185 CZ ARG A 83 -14.659 -3.900 -5.751 1.00 0.00 C ATOM 1186 NH1 ARG A 83 -15.919 -4.182 -6.022 1.00 0.00 N ATOM 1187 NH2 ARG A 83 -14.216 -2.684 -5.951 1.00 0.00 N ATOM 0 H ARG A 83 -12.320 -5.938 -0.204 1.00 0.00 H new ATOM 0 HA ARG A 83 -10.992 -7.320 -2.462 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -13.649 -6.852 -2.144 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -13.195 -5.252 -2.696 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -11.953 -6.540 -4.644 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -12.964 -7.893 -4.179 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -14.171 -6.777 -5.920 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -14.991 -6.328 -4.438 1.00 0.00 H new ATOM 0 HE ARG A 83 -12.863 -4.468 -5.105 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -16.274 -5.127 -5.873 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -16.538 -3.455 -6.381 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -13.243 -2.456 -5.748 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -14.844 -1.965 -6.310 1.00 0.00 H new ATOM 1198 N GLU A 84 -10.017 -5.126 -3.450 1.00 0.00 N ATOM 1199 CA GLU A 84 -9.419 -3.883 -3.965 1.00 0.00 C ATOM 1200 C GLU A 84 -10.520 -2.869 -4.319 1.00 0.00 C ATOM 1201 O GLU A 84 -11.471 -3.202 -5.026 1.00 0.00 O ATOM 1202 CB GLU A 84 -8.513 -4.202 -5.174 1.00 0.00 C ATOM 1203 CG GLU A 84 -8.057 -2.968 -5.967 1.00 0.00 C ATOM 1204 CD GLU A 84 -7.084 -3.289 -7.116 1.00 0.00 C ATOM 1205 OE1 GLU A 84 -6.745 -4.472 -7.353 1.00 0.00 O ATOM 1206 OE2 GLU A 84 -6.628 -2.341 -7.800 1.00 0.00 O ATOM 0 H GLU A 84 -9.877 -5.928 -4.064 1.00 0.00 H new ATOM 0 HA GLU A 84 -8.797 -3.428 -3.194 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -7.632 -4.738 -4.821 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -9.047 -4.874 -5.846 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -8.934 -2.467 -6.376 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -7.578 -2.266 -5.284 1.00 0.00 H new ATOM 1211 N VAL A 85 -10.370 -1.627 -3.858 1.00 0.00 N ATOM 1212 CA VAL A 85 -11.221 -0.477 -4.242 1.00 0.00 C ATOM 1213 C VAL A 85 -10.526 0.462 -5.238 1.00 0.00 C ATOM 1214 O VAL A 85 -11.204 1.178 -5.973 1.00 0.00 O ATOM 1215 CB VAL A 85 -11.699 0.321 -3.008 1.00 0.00 C ATOM 1216 CG1 VAL A 85 -12.743 -0.489 -2.236 1.00 0.00 C ATOM 1217 CG2 VAL A 85 -10.571 0.743 -2.042 1.00 0.00 C ATOM 0 H VAL A 85 -9.640 -1.376 -3.192 1.00 0.00 H new ATOM 0 HA VAL A 85 -12.092 -0.904 -4.738 1.00 0.00 H new ATOM 0 HB VAL A 85 -12.126 1.243 -3.404 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -13.075 0.080 -1.368 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -13.596 -0.694 -2.883 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -12.303 -1.430 -1.907 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -10.997 1.298 -1.206 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -10.062 -0.145 -1.667 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -9.857 1.375 -2.570 1.00 0.00 H new ATOM 1227 N ALA A 86 -9.190 0.435 -5.278 1.00 0.00 N ATOM 1228 CA ALA A 86 -8.320 1.273 -6.111 1.00 0.00 C ATOM 1229 C ALA A 86 -6.858 0.844 -5.970 1.00 0.00 C ATOM 1230 O ALA A 86 -6.530 0.021 -5.117 1.00 0.00 O ATOM 1231 CB ALA A 86 -8.462 2.731 -5.669 1.00 0.00 C ATOM 0 H ALA A 86 -8.655 -0.210 -4.696 1.00 0.00 H new ATOM 0 HA ALA A 86 -8.617 1.162 -7.154 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -7.819 3.362 -6.283 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -9.499 3.047 -5.786 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -8.170 2.824 -4.623 1.00 0.00 H new ATOM 1237 N ARG A 87 -5.966 1.499 -6.717 1.00 0.00 N ATOM 1238 CA ARG A 87 -4.522 1.471 -6.486 1.00 0.00 C ATOM 1239 C ARG A 87 -3.839 2.722 -7.038 1.00 0.00 C ATOM 1240 O ARG A 87 -4.355 3.374 -7.947 1.00 0.00 O ATOM 1241 CB ARG A 87 -3.916 0.183 -7.043 1.00 0.00 C ATOM 1242 CG ARG A 87 -3.981 0.042 -8.568 1.00 0.00 C ATOM 1243 CD ARG A 87 -3.199 -1.204 -8.966 1.00 0.00 C ATOM 1244 NE ARG A 87 -3.937 -2.446 -8.686 1.00 0.00 N ATOM 1245 CZ ARG A 87 -3.485 -3.679 -8.861 1.00 0.00 C ATOM 1246 NH1 ARG A 87 -2.292 -3.938 -9.353 1.00 0.00 N ATOM 1247 NH2 ARG A 87 -4.234 -4.703 -8.546 1.00 0.00 N ATOM 0 H ARG A 87 -6.234 2.075 -7.515 1.00 0.00 H new ATOM 0 HA ARG A 87 -4.347 1.477 -5.410 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -2.873 0.126 -6.732 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -4.429 -0.667 -6.593 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -5.017 -0.038 -8.898 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -3.560 0.925 -9.049 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -2.963 -1.157 -10.029 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -2.250 -1.220 -8.430 1.00 0.00 H new ATOM 0 HE ARG A 87 -4.885 -2.348 -8.323 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -1.672 -3.172 -9.618 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -1.987 -4.904 -9.470 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -5.168 -4.553 -8.165 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -3.884 -5.652 -8.681 1.00 0.00 H new ATOM 1258 N VAL A 88 -2.661 3.029 -6.502 1.00 0.00 N ATOM 1259 CA VAL A 88 -1.771 4.086 -7.006 1.00 0.00 C ATOM 1260 C VAL A 88 -0.425 3.446 -7.368 1.00 0.00 C ATOM 1261 O VAL A 88 0.192 2.767 -6.550 1.00 0.00 O ATOM 1262 CB VAL A 88 -1.598 5.196 -5.946 1.00 0.00 C ATOM 1263 CG1 VAL A 88 -0.499 6.217 -6.306 1.00 0.00 C ATOM 1264 CG2 VAL A 88 -2.893 5.970 -5.658 1.00 0.00 C ATOM 0 H VAL A 88 -2.285 2.543 -5.688 1.00 0.00 H new ATOM 0 HA VAL A 88 -2.201 4.552 -7.892 1.00 0.00 H new ATOM 0 HB VAL A 88 -1.301 4.649 -5.051 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -0.430 6.969 -5.520 1.00 0.00 H new ATOM 0 HG12 VAL A 88 0.458 5.703 -6.402 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -0.747 6.701 -7.250 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -2.700 6.734 -4.905 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -3.245 6.444 -6.574 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -3.654 5.282 -5.290 1.00 0.00 H new ATOM 1274 N VAL A 89 0.013 3.671 -8.609 1.00 0.00 N ATOM 1275 CA VAL A 89 1.297 3.211 -9.172 1.00 0.00 C ATOM 1276 C VAL A 89 2.167 4.448 -9.417 1.00 0.00 C ATOM 1277 O VAL A 89 1.697 5.395 -10.049 1.00 0.00 O ATOM 1278 CB VAL A 89 1.078 2.454 -10.508 1.00 0.00 C ATOM 1279 CG1 VAL A 89 2.392 2.013 -11.168 1.00 0.00 C ATOM 1280 CG2 VAL A 89 0.156 1.232 -10.354 1.00 0.00 C ATOM 0 H VAL A 89 -0.538 4.202 -9.284 1.00 0.00 H new ATOM 0 HA VAL A 89 1.779 2.525 -8.476 1.00 0.00 H new ATOM 0 HB VAL A 89 0.591 3.180 -11.159 1.00 0.00 H new ATOM 0 HG11 VAL A 89 2.174 1.489 -12.098 1.00 0.00 H new ATOM 0 HG12 VAL A 89 3.005 2.889 -11.380 1.00 0.00 H new ATOM 0 HG13 VAL A 89 2.932 1.347 -10.495 1.00 0.00 H new ATOM 0 HG21 VAL A 89 0.038 0.741 -11.320 1.00 0.00 H new ATOM 0 HG22 VAL A 89 0.595 0.533 -9.642 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -0.819 1.556 -9.990 1.00 0.00 H new ATOM 1290 N ARG A 90 3.413 4.439 -8.920 1.00 0.00 N ATOM 1291 CA ARG A 90 4.417 5.504 -9.116 1.00 0.00 C ATOM 1292 C ARG A 90 3.908 6.907 -8.677 1.00 0.00 C ATOM 1293 O ARG A 90 3.479 7.691 -9.537 1.00 0.00 O ATOM 1294 CB ARG A 90 4.906 5.488 -10.578 1.00 0.00 C ATOM 1295 CG ARG A 90 6.213 6.273 -10.758 1.00 0.00 C ATOM 1296 CD ARG A 90 6.575 6.392 -12.240 1.00 0.00 C ATOM 1297 NE ARG A 90 7.907 6.991 -12.411 1.00 0.00 N ATOM 1298 CZ ARG A 90 8.635 6.986 -13.525 1.00 0.00 C ATOM 1299 NH1 ARG A 90 8.185 6.471 -14.649 1.00 0.00 N ATOM 1300 NH2 ARG A 90 9.844 7.503 -13.529 1.00 0.00 N ATOM 0 H ARG A 90 3.764 3.668 -8.352 1.00 0.00 H new ATOM 0 HA ARG A 90 5.263 5.295 -8.462 1.00 0.00 H new ATOM 0 HB2 ARG A 90 5.056 4.457 -10.899 1.00 0.00 H new ATOM 0 HB3 ARG A 90 4.136 5.913 -11.222 1.00 0.00 H new ATOM 0 HG2 ARG A 90 6.108 7.267 -10.324 1.00 0.00 H new ATOM 0 HG3 ARG A 90 7.019 5.774 -10.221 1.00 0.00 H new ATOM 0 HD2 ARG A 90 6.554 5.406 -12.703 1.00 0.00 H new ATOM 0 HD3 ARG A 90 5.830 7.001 -12.752 1.00 0.00 H new ATOM 0 HE ARG A 90 8.312 7.455 -11.598 1.00 0.00 H new ATOM 0 HH11 ARG A 90 7.252 6.059 -14.684 1.00 0.00 H new ATOM 0 HH12 ARG A 90 8.769 6.483 -15.485 1.00 0.00 H new ATOM 0 HH21 ARG A 90 10.227 7.910 -12.676 1.00 0.00 H new ATOM 0 HH22 ARG A 90 10.398 7.497 -14.385 1.00 0.00 H new ATOM 1311 N PRO A 91 3.925 7.252 -7.370 1.00 0.00 N ATOM 1312 CA PRO A 91 3.428 8.539 -6.873 1.00 0.00 C ATOM 1313 C PRO A 91 4.260 9.704 -7.431 1.00 0.00 C ATOM 1314 O PRO A 91 5.479 9.733 -7.267 1.00 0.00 O ATOM 1315 CB PRO A 91 3.510 8.469 -5.352 1.00 0.00 C ATOM 1316 CG PRO A 91 4.567 7.395 -5.079 1.00 0.00 C ATOM 1317 CD PRO A 91 4.430 6.443 -6.268 1.00 0.00 C ATOM 0 HA PRO A 91 2.403 8.720 -7.197 1.00 0.00 H new ATOM 0 HB2 PRO A 91 3.799 9.429 -4.925 1.00 0.00 H new ATOM 0 HB3 PRO A 91 2.549 8.201 -4.914 1.00 0.00 H new ATOM 0 HG2 PRO A 91 5.568 7.823 -5.022 1.00 0.00 H new ATOM 0 HG3 PRO A 91 4.384 6.884 -4.134 1.00 0.00 H new ATOM 0 HD2 PRO A 91 5.390 5.993 -6.521 1.00 0.00 H new ATOM 0 HD3 PRO A 91 3.746 5.626 -6.038 1.00 0.00 H new ATOM 1322 N GLY A 92 3.591 10.670 -8.077 1.00 0.00 N ATOM 1323 CA GLY A 92 4.230 11.859 -8.668 1.00 0.00 C ATOM 1324 C GLY A 92 4.342 13.050 -7.711 1.00 0.00 C ATOM 1325 O GLY A 92 5.207 13.905 -7.896 1.00 0.00 O ATOM 0 H GLY A 92 2.579 10.649 -8.206 1.00 0.00 H new ATOM 0 HA2 GLY A 92 5.228 11.588 -9.012 1.00 0.00 H new ATOM 0 HA3 GLY A 92 3.662 12.165 -9.546 1.00 0.00 H new ATOM 1329 N SER A 93 3.493 13.108 -6.686 1.00 0.00 N ATOM 1330 CA SER A 93 3.375 14.209 -5.729 1.00 0.00 C ATOM 1331 C SER A 93 2.430 13.841 -4.577 1.00 0.00 C ATOM 1332 O SER A 93 1.585 12.950 -4.723 1.00 0.00 O ATOM 1333 CB SER A 93 2.793 15.446 -6.426 1.00 0.00 C ATOM 1334 OG SER A 93 1.450 15.224 -6.837 1.00 0.00 O ATOM 0 H SER A 93 2.837 12.352 -6.490 1.00 0.00 H new ATOM 0 HA SER A 93 4.372 14.412 -5.339 1.00 0.00 H new ATOM 0 HB2 SER A 93 2.832 16.299 -5.749 1.00 0.00 H new ATOM 0 HB3 SER A 93 3.404 15.699 -7.293 1.00 0.00 H new ATOM 0 HG SER A 93 0.907 16.010 -6.618 1.00 0.00 H new ATOM 1339 N ALA A 94 2.501 14.566 -3.450 1.00 0.00 N ATOM 1340 CA ALA A 94 1.487 14.476 -2.399 1.00 0.00 C ATOM 1341 C ALA A 94 0.108 14.874 -2.927 1.00 0.00 C ATOM 1342 O ALA A 94 -0.862 14.232 -2.562 1.00 0.00 O ATOM 1343 CB ALA A 94 1.923 15.315 -1.190 1.00 0.00 C ATOM 0 H ALA A 94 3.255 15.222 -3.247 1.00 0.00 H new ATOM 0 HA ALA A 94 1.397 13.441 -2.070 1.00 0.00 H new ATOM 0 HB1 ALA A 94 1.167 15.247 -0.408 1.00 0.00 H new ATOM 0 HB2 ALA A 94 2.873 14.939 -0.810 1.00 0.00 H new ATOM 0 HB3 ALA A 94 2.040 16.356 -1.492 1.00 0.00 H new ATOM 1349 N SER A 95 -0.019 15.823 -3.859 1.00 0.00 N ATOM 1350 CA SER A 95 -1.335 16.163 -4.431 1.00 0.00 C ATOM 1351 C SER A 95 -1.966 14.993 -5.211 1.00 0.00 C ATOM 1352 O SER A 95 -3.176 14.798 -5.114 1.00 0.00 O ATOM 1353 CB SER A 95 -1.266 17.438 -5.287 1.00 0.00 C ATOM 1354 OG SER A 95 -0.256 17.386 -6.289 1.00 0.00 O ATOM 0 H SER A 95 0.759 16.366 -4.233 1.00 0.00 H new ATOM 0 HA SER A 95 -1.995 16.363 -3.587 1.00 0.00 H new ATOM 0 HB2 SER A 95 -2.233 17.601 -5.763 1.00 0.00 H new ATOM 0 HB3 SER A 95 -1.081 18.294 -4.638 1.00 0.00 H new ATOM 0 HG SER A 95 -0.260 18.221 -6.802 1.00 0.00 H new ATOM 1359 N VAL A 96 -1.170 14.150 -5.892 1.00 0.00 N ATOM 1360 CA VAL A 96 -1.639 12.913 -6.546 1.00 0.00 C ATOM 1361 C VAL A 96 -1.948 11.805 -5.528 1.00 0.00 C ATOM 1362 O VAL A 96 -2.975 11.138 -5.656 1.00 0.00 O ATOM 1363 CB VAL A 96 -0.606 12.425 -7.597 1.00 0.00 C ATOM 1364 CG1 VAL A 96 -0.833 10.988 -8.095 1.00 0.00 C ATOM 1365 CG2 VAL A 96 -0.617 13.362 -8.816 1.00 0.00 C ATOM 0 H VAL A 96 -0.169 14.310 -6.006 1.00 0.00 H new ATOM 0 HA VAL A 96 -2.572 13.149 -7.058 1.00 0.00 H new ATOM 0 HB VAL A 96 0.355 12.438 -7.082 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -0.066 10.731 -8.826 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -0.778 10.298 -7.253 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -1.816 10.915 -8.560 1.00 0.00 H new ATOM 0 HG21 VAL A 96 0.110 13.014 -9.549 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -1.611 13.365 -9.264 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -0.358 14.373 -8.500 1.00 0.00 H new ATOM 1375 N LEU A 97 -1.094 11.599 -4.520 1.00 0.00 N ATOM 1376 CA LEU A 97 -1.309 10.565 -3.501 1.00 0.00 C ATOM 1377 C LEU A 97 -2.510 10.899 -2.595 1.00 0.00 C ATOM 1378 O LEU A 97 -3.401 10.074 -2.440 1.00 0.00 O ATOM 1379 CB LEU A 97 0.004 10.344 -2.716 1.00 0.00 C ATOM 1380 CG LEU A 97 0.424 8.853 -2.699 1.00 0.00 C ATOM 1381 CD1 LEU A 97 1.762 8.654 -2.007 1.00 0.00 C ATOM 1382 CD2 LEU A 97 -0.671 8.042 -2.010 1.00 0.00 C ATOM 0 H LEU A 97 -0.240 12.140 -4.387 1.00 0.00 H new ATOM 0 HA LEU A 97 -1.571 9.625 -3.986 1.00 0.00 H new ATOM 0 HB2 LEU A 97 0.799 10.940 -3.164 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -0.121 10.697 -1.693 1.00 0.00 H new ATOM 0 HG LEU A 97 0.547 8.509 -3.726 1.00 0.00 H new ATOM 0 HD11 LEU A 97 2.022 7.596 -2.015 1.00 0.00 H new ATOM 0 HD12 LEU A 97 2.531 9.221 -2.532 1.00 0.00 H new ATOM 0 HD13 LEU A 97 1.694 9.003 -0.977 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -0.387 6.990 -1.991 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -0.802 8.401 -0.989 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -1.607 8.156 -2.557 1.00 0.00 H new ATOM 1393 N GLU A 98 -2.578 12.122 -2.064 1.00 0.00 N ATOM 1394 CA GLU A 98 -3.706 12.630 -1.276 1.00 0.00 C ATOM 1395 C GLU A 98 -5.042 12.566 -2.040 1.00 0.00 C ATOM 1396 O GLU A 98 -6.043 12.169 -1.444 1.00 0.00 O ATOM 1397 CB GLU A 98 -3.458 14.076 -0.823 1.00 0.00 C ATOM 1398 CG GLU A 98 -2.340 14.249 0.218 1.00 0.00 C ATOM 1399 CD GLU A 98 -2.240 15.722 0.648 1.00 0.00 C ATOM 1400 OE1 GLU A 98 -2.963 16.127 1.586 1.00 0.00 O ATOM 1401 OE2 GLU A 98 -1.451 16.492 0.054 1.00 0.00 O ATOM 0 H GLU A 98 -1.829 12.806 -2.173 1.00 0.00 H new ATOM 0 HA GLU A 98 -3.780 11.977 -0.406 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -3.215 14.678 -1.698 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -4.384 14.475 -0.409 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -2.541 13.622 1.086 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -1.389 13.919 -0.200 1.00 0.00 H new ATOM 1406 N GLU A 99 -5.065 12.901 -3.342 1.00 0.00 N ATOM 1407 CA GLU A 99 -6.255 12.817 -4.206 1.00 0.00 C ATOM 1408 C GLU A 99 -6.843 11.396 -4.261 1.00 0.00 C ATOM 1409 O GLU A 99 -8.064 11.221 -4.307 1.00 0.00 O ATOM 1410 CB GLU A 99 -5.893 13.281 -5.626 1.00 0.00 C ATOM 1411 CG GLU A 99 -6.985 13.012 -6.669 1.00 0.00 C ATOM 1412 CD GLU A 99 -6.805 13.889 -7.920 1.00 0.00 C ATOM 1413 OE1 GLU A 99 -7.310 15.041 -7.933 1.00 0.00 O ATOM 1414 OE2 GLU A 99 -6.175 13.427 -8.904 1.00 0.00 O ATOM 0 H GLU A 99 -4.240 13.245 -3.833 1.00 0.00 H new ATOM 0 HA GLU A 99 -7.017 13.467 -3.776 1.00 0.00 H new ATOM 0 HB2 GLU A 99 -5.681 14.350 -5.605 1.00 0.00 H new ATOM 0 HB3 GLU A 99 -4.976 12.781 -5.938 1.00 0.00 H new ATOM 0 HG2 GLU A 99 -6.964 11.961 -6.955 1.00 0.00 H new ATOM 0 HG3 GLU A 99 -7.964 13.203 -6.229 1.00 0.00 H new ATOM 1419 N ALA A 100 -5.995 10.372 -4.254 1.00 0.00 N ATOM 1420 CA ALA A 100 -6.459 8.998 -4.134 1.00 0.00 C ATOM 1421 C ALA A 100 -6.916 8.687 -2.704 1.00 0.00 C ATOM 1422 O ALA A 100 -8.009 8.165 -2.515 1.00 0.00 O ATOM 1423 CB ALA A 100 -5.345 8.074 -4.627 1.00 0.00 C ATOM 0 H ALA A 100 -4.983 10.470 -4.330 1.00 0.00 H new ATOM 0 HA ALA A 100 -7.340 8.837 -4.755 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -5.670 7.037 -4.546 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -5.116 8.303 -5.668 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -4.453 8.223 -4.019 1.00 0.00 H new ATOM 1429 N PHE A 101 -6.147 9.066 -1.678 1.00 0.00 N ATOM 1430 CA PHE A 101 -6.474 8.762 -0.284 1.00 0.00 C ATOM 1431 C PHE A 101 -7.864 9.287 0.104 1.00 0.00 C ATOM 1432 O PHE A 101 -8.697 8.514 0.577 1.00 0.00 O ATOM 1433 CB PHE A 101 -5.387 9.316 0.633 1.00 0.00 C ATOM 1434 CG PHE A 101 -4.357 8.285 1.055 1.00 0.00 C ATOM 1435 CD1 PHE A 101 -3.392 7.805 0.147 1.00 0.00 C ATOM 1436 CD2 PHE A 101 -4.356 7.818 2.382 1.00 0.00 C ATOM 1437 CE1 PHE A 101 -2.421 6.895 0.590 1.00 0.00 C ATOM 1438 CE2 PHE A 101 -3.382 6.907 2.817 1.00 0.00 C ATOM 1439 CZ PHE A 101 -2.405 6.457 1.917 1.00 0.00 C ATOM 0 H PHE A 101 -5.281 9.592 -1.792 1.00 0.00 H new ATOM 0 HA PHE A 101 -6.510 7.679 -0.167 1.00 0.00 H new ATOM 0 HB2 PHE A 101 -4.879 10.136 0.125 1.00 0.00 H new ATOM 0 HB3 PHE A 101 -5.855 9.734 1.524 1.00 0.00 H new ATOM 0 HD1 PHE A 101 -3.400 8.135 -0.881 1.00 0.00 H new ATOM 0 HD2 PHE A 101 -5.112 8.164 3.072 1.00 0.00 H new ATOM 0 HE1 PHE A 101 -1.677 6.529 -0.102 1.00 0.00 H new ATOM 0 HE2 PHE A 101 -3.384 6.555 3.838 1.00 0.00 H new ATOM 0 HZ PHE A 101 -1.640 5.771 2.250 1.00 0.00 H new ATOM 1448 N GLU A 102 -8.149 10.562 -0.167 1.00 0.00 N ATOM 1449 CA GLU A 102 -9.472 11.157 0.086 1.00 0.00 C ATOM 1450 C GLU A 102 -10.602 10.468 -0.694 1.00 0.00 C ATOM 1451 O GLU A 102 -11.719 10.342 -0.186 1.00 0.00 O ATOM 1452 CB GLU A 102 -9.474 12.665 -0.195 1.00 0.00 C ATOM 1453 CG GLU A 102 -9.013 13.108 -1.586 1.00 0.00 C ATOM 1454 CD GLU A 102 -10.110 13.844 -2.372 1.00 0.00 C ATOM 1455 OE1 GLU A 102 -10.251 15.079 -2.198 1.00 0.00 O ATOM 1456 OE2 GLU A 102 -10.827 13.202 -3.176 1.00 0.00 O ATOM 0 H GLU A 102 -7.474 11.214 -0.567 1.00 0.00 H new ATOM 0 HA GLU A 102 -9.670 10.997 1.146 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -10.486 13.039 -0.037 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -8.836 13.149 0.545 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -8.145 13.760 -1.485 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -8.691 12.234 -2.152 1.00 0.00 H new ATOM 1461 N SER A 103 -10.319 9.965 -1.895 1.00 0.00 N ATOM 1462 CA SER A 103 -11.299 9.225 -2.693 1.00 0.00 C ATOM 1463 C SER A 103 -11.666 7.862 -2.068 1.00 0.00 C ATOM 1464 O SER A 103 -12.827 7.439 -2.128 1.00 0.00 O ATOM 1465 CB SER A 103 -10.778 9.039 -4.124 1.00 0.00 C ATOM 1466 OG SER A 103 -11.790 8.555 -5.000 1.00 0.00 O ATOM 0 H SER A 103 -9.407 10.058 -2.342 1.00 0.00 H new ATOM 0 HA SER A 103 -12.214 9.817 -2.713 1.00 0.00 H new ATOM 0 HB2 SER A 103 -10.399 9.990 -4.498 1.00 0.00 H new ATOM 0 HB3 SER A 103 -9.940 8.342 -4.117 1.00 0.00 H new ATOM 0 HG SER A 103 -11.420 8.451 -5.902 1.00 0.00 H new ATOM 1471 N LEU A 104 -10.700 7.194 -1.418 1.00 0.00 N ATOM 1472 CA LEU A 104 -10.901 5.866 -0.819 1.00 0.00 C ATOM 1473 C LEU A 104 -11.302 5.936 0.660 1.00 0.00 C ATOM 1474 O LEU A 104 -11.987 5.036 1.148 1.00 0.00 O ATOM 1475 CB LEU A 104 -9.662 4.971 -1.037 1.00 0.00 C ATOM 1476 CG LEU A 104 -9.459 4.433 -2.476 1.00 0.00 C ATOM 1477 CD1 LEU A 104 -10.781 4.078 -3.181 1.00 0.00 C ATOM 1478 CD2 LEU A 104 -8.673 5.407 -3.350 1.00 0.00 C ATOM 0 H LEU A 104 -9.756 7.560 -1.293 1.00 0.00 H new ATOM 0 HA LEU A 104 -11.744 5.407 -1.336 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -8.775 5.537 -0.753 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -9.728 4.121 -0.358 1.00 0.00 H new ATOM 0 HG LEU A 104 -8.882 3.516 -2.352 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -10.570 3.707 -4.184 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -11.302 3.308 -2.612 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -11.408 4.967 -3.247 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -8.556 4.987 -4.349 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -9.211 6.353 -3.415 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -7.690 5.578 -2.911 1.00 0.00 H new ATOM 1489 N VAL A 105 -10.930 7.010 1.360 1.00 0.00 N ATOM 1490 CA VAL A 105 -11.380 7.296 2.735 1.00 0.00 C ATOM 1491 C VAL A 105 -12.842 7.782 2.777 1.00 0.00 C ATOM 1492 O VAL A 105 -13.505 7.636 3.801 1.00 0.00 O ATOM 1493 CB VAL A 105 -10.415 8.292 3.423 1.00 0.00 C ATOM 1494 CG1 VAL A 105 -10.895 9.746 3.387 1.00 0.00 C ATOM 1495 CG2 VAL A 105 -10.161 7.883 4.872 1.00 0.00 C ATOM 0 H VAL A 105 -10.299 7.719 0.987 1.00 0.00 H new ATOM 0 HA VAL A 105 -11.355 6.363 3.297 1.00 0.00 H new ATOM 0 HB VAL A 105 -9.491 8.246 2.846 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -10.166 10.382 3.889 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -11.005 10.067 2.351 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -11.856 9.825 3.896 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -9.480 8.596 5.337 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -11.104 7.873 5.418 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -9.717 6.888 4.897 1.00 0.00 H new ATOM 1505 N GLY A 106 -13.330 8.369 1.668 1.00 0.00 N ATOM 1506 CA GLY A 106 -14.695 8.873 1.486 1.00 0.00 C ATOM 1507 C GLY A 106 -14.870 10.384 1.684 1.00 0.00 C ATOM 1508 O GLY A 106 -15.980 10.892 1.506 1.00 0.00 O ATOM 0 H GLY A 106 -12.753 8.509 0.839 1.00 0.00 H new ATOM 0 HA2 GLY A 106 -15.029 8.614 0.481 1.00 0.00 H new ATOM 0 HA3 GLY A 106 -15.352 8.354 2.184 1.00 0.00 H new ATOM 1512 N GLU A 107 -13.801 11.114 2.027 1.00 0.00 N ATOM 1513 CA GLU A 107 -13.785 12.572 2.235 1.00 0.00 C ATOM 1514 C GLU A 107 -13.777 13.384 0.922 1.00 0.00 C ATOM 1515 O GLU A 107 -13.865 14.612 0.974 1.00 0.00 O ATOM 1516 CB GLU A 107 -12.578 12.958 3.115 1.00 0.00 C ATOM 1517 CG GLU A 107 -12.771 12.642 4.604 1.00 0.00 C ATOM 1518 CD GLU A 107 -13.844 13.525 5.267 1.00 0.00 C ATOM 1519 OE1 GLU A 107 -13.553 14.693 5.634 1.00 0.00 O ATOM 1520 OE2 GLU A 107 -14.993 13.057 5.445 1.00 0.00 O ATOM 0 H GLU A 107 -12.885 10.690 2.174 1.00 0.00 H new ATOM 0 HA GLU A 107 -14.716 12.828 2.740 1.00 0.00 H new ATOM 0 HB2 GLU A 107 -11.694 12.433 2.753 1.00 0.00 H new ATOM 0 HB3 GLU A 107 -12.384 14.025 3.002 1.00 0.00 H new ATOM 0 HG2 GLU A 107 -13.050 11.594 4.715 1.00 0.00 H new ATOM 0 HG3 GLU A 107 -11.823 12.777 5.125 1.00 0.00 H new ATOM 1525 N GLY A 108 -13.731 12.733 -0.247 1.00 0.00 N ATOM 1526 CA GLY A 108 -13.699 13.348 -1.586 1.00 0.00 C ATOM 1527 C GLY A 108 -15.001 14.024 -2.051 1.00 0.00 C ATOM 1528 O GLY A 108 -15.405 13.879 -3.205 1.00 0.00 O ATOM 0 H GLY A 108 -13.714 11.714 -0.290 1.00 0.00 H new ATOM 0 HA2 GLY A 108 -12.901 14.091 -1.604 1.00 0.00 H new ATOM 0 HA3 GLY A 108 -13.434 12.578 -2.311 1.00 0.00 H new