USER MOD reduce.3.24.130724 H: found=0, std=0, add=722, rem=0, adj=15 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 5 TYR OH : rot 65:sc= 0.782 USER MOD Set 1.2: A 34 CYS SG : rot 102:sc= 0.518 USER MOD Single : A 6 SER OG : rot 180:sc= 0.221 USER MOD Single : A 22 THR OG1 : rot 69:sc= 0.091 USER MOD Single : A 28 THR OG1 : rot 150:sc= 0.51 USER MOD Single : A 31 CYS SG : rot 180:sc= -0.0746 USER MOD Single : A 33 HIS : no HD1:sc=-0.00408 X(o=-0.0041,f=-0.0015) USER MOD Single : A 35 GLN : amide:sc= 0.972 K(o=0.97,f=-0.0084) USER MOD Single : A 38 GLN : amide:sc= 0.977 K(o=0.98,f=-0.22) USER MOD Single : A 46 SER OG : rot 81:sc= 0.878 USER MOD Single : A 48 TYR OH : rot 180:sc=-0.00895 USER MOD Single : A 53 HIS : no HE2:sc= -1.13 K(o=-1.1,f=-3.1!) USER MOD Single : A 55 LYS NZ :NH3+ 175:sc= 0.849 (180deg=0.833) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 69 GLN : amide:sc= 0.902 K(o=0.9,f=0) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 THR OG1 : rot -150:sc= -0.147 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 96:sc= 1.15 USER MOD ----------------------------------------------------------------- ATOM 69 N TYR A 5 8.890 -2.687 6.624 1.00 0.00 N ATOM 70 CA TYR A 5 8.356 -3.812 5.839 1.00 0.00 C ATOM 71 C TYR A 5 8.338 -5.151 6.597 1.00 0.00 C ATOM 72 O TYR A 5 9.101 -5.352 7.545 1.00 0.00 O ATOM 73 CB TYR A 5 9.133 -3.929 4.523 1.00 0.00 C ATOM 74 CG TYR A 5 8.574 -3.044 3.434 1.00 0.00 C ATOM 75 CD1 TYR A 5 8.850 -1.666 3.424 1.00 0.00 C ATOM 76 CD2 TYR A 5 7.707 -3.595 2.474 1.00 0.00 C ATOM 77 CE1 TYR A 5 8.311 -0.849 2.418 1.00 0.00 C ATOM 78 CE2 TYR A 5 7.150 -2.780 1.475 1.00 0.00 C ATOM 79 CZ TYR A 5 7.500 -1.414 1.405 1.00 0.00 C ATOM 80 OH TYR A 5 7.086 -0.648 0.364 1.00 0.00 O ATOM 0 HA TYR A 5 7.309 -3.589 5.635 1.00 0.00 H new ATOM 0 HB2 TYR A 5 10.177 -3.667 4.698 1.00 0.00 H new ATOM 0 HB3 TYR A 5 9.116 -4.966 4.187 1.00 0.00 H new ATOM 0 HD1 TYR A 5 9.477 -1.236 4.191 1.00 0.00 H new ATOM 0 HD2 TYR A 5 7.469 -4.648 2.505 1.00 0.00 H new ATOM 0 HE1 TYR A 5 8.515 0.212 2.417 1.00 0.00 H new ATOM 0 HE2 TYR A 5 6.455 -3.198 0.761 1.00 0.00 H new ATOM 0 HH TYR A 5 7.861 -0.374 -0.170 1.00 0.00 H new ATOM 89 N SER A 6 7.487 -6.089 6.159 1.00 0.00 N ATOM 90 CA SER A 6 7.362 -7.419 6.767 1.00 0.00 C ATOM 91 C SER A 6 7.245 -8.546 5.734 1.00 0.00 C ATOM 92 O SER A 6 6.461 -8.481 4.784 1.00 0.00 O ATOM 93 CB SER A 6 6.121 -7.455 7.663 1.00 0.00 C ATOM 94 OG SER A 6 6.083 -8.667 8.403 1.00 0.00 O ATOM 0 H SER A 6 6.862 -5.944 5.366 1.00 0.00 H new ATOM 0 HA SER A 6 8.274 -7.587 7.339 1.00 0.00 H new ATOM 0 HB2 SER A 6 6.131 -6.605 8.345 1.00 0.00 H new ATOM 0 HB3 SER A 6 5.222 -7.364 7.054 1.00 0.00 H new ATOM 0 HG SER A 6 5.286 -8.677 8.973 1.00 0.00 H new ATOM 99 N ALA A 7 8.001 -9.626 5.950 1.00 0.00 N ATOM 100 CA ALA A 7 7.831 -10.899 5.248 1.00 0.00 C ATOM 101 C ALA A 7 6.671 -11.739 5.827 1.00 0.00 C ATOM 102 O ALA A 7 6.207 -12.669 5.167 1.00 0.00 O ATOM 103 CB ALA A 7 9.162 -11.661 5.311 1.00 0.00 C ATOM 0 H ALA A 7 8.761 -9.639 6.630 1.00 0.00 H new ATOM 0 HA ALA A 7 7.562 -10.702 4.210 1.00 0.00 H new ATOM 0 HB1 ALA A 7 9.060 -12.615 4.794 1.00 0.00 H new ATOM 0 HB2 ALA A 7 9.943 -11.070 4.832 1.00 0.00 H new ATOM 0 HB3 ALA A 7 9.430 -11.840 6.352 1.00 0.00 H new ATOM 109 N GLU A 8 6.158 -11.409 7.017 1.00 0.00 N ATOM 110 CA GLU A 8 5.118 -12.161 7.739 1.00 0.00 C ATOM 111 C GLU A 8 3.689 -11.794 7.285 1.00 0.00 C ATOM 112 O GLU A 8 2.722 -11.955 8.030 1.00 0.00 O ATOM 113 CB GLU A 8 5.296 -11.981 9.260 1.00 0.00 C ATOM 114 CG GLU A 8 6.708 -12.315 9.770 1.00 0.00 C ATOM 115 CD GLU A 8 7.082 -13.786 9.541 1.00 0.00 C ATOM 116 OE1 GLU A 8 6.489 -14.672 10.202 1.00 0.00 O ATOM 117 OE2 GLU A 8 7.982 -14.066 8.714 1.00 0.00 O ATOM 0 H GLU A 8 6.465 -10.580 7.526 1.00 0.00 H new ATOM 0 HA GLU A 8 5.245 -13.215 7.493 1.00 0.00 H new ATOM 0 HB2 GLU A 8 5.061 -10.950 9.523 1.00 0.00 H new ATOM 0 HB3 GLU A 8 4.575 -12.614 9.777 1.00 0.00 H new ATOM 0 HG2 GLU A 8 7.433 -11.676 9.266 1.00 0.00 H new ATOM 0 HG3 GLU A 8 6.769 -12.089 10.835 1.00 0.00 H new ATOM 122 N ALA A 9 3.559 -11.269 6.062 1.00 0.00 N ATOM 123 CA ALA A 9 2.281 -10.890 5.457 1.00 0.00 C ATOM 124 C ALA A 9 1.317 -12.086 5.289 1.00 0.00 C ATOM 125 O ALA A 9 1.774 -13.228 5.133 1.00 0.00 O ATOM 126 CB ALA A 9 2.552 -10.223 4.105 1.00 0.00 C ATOM 0 H ALA A 9 4.358 -11.093 5.453 1.00 0.00 H new ATOM 0 HA ALA A 9 1.784 -10.193 6.132 1.00 0.00 H new ATOM 0 HB1 ALA A 9 1.606 -9.936 3.645 1.00 0.00 H new ATOM 0 HB2 ALA A 9 3.167 -9.335 4.254 1.00 0.00 H new ATOM 0 HB3 ALA A 9 3.076 -10.922 3.453 1.00 0.00 H new ATOM 132 N PRO A 10 -0.006 -11.831 5.275 1.00 0.00 N ATOM 133 CA PRO A 10 -1.037 -12.848 5.082 1.00 0.00 C ATOM 134 C PRO A 10 -1.018 -13.447 3.668 1.00 0.00 C ATOM 135 O PRO A 10 -0.512 -12.842 2.723 1.00 0.00 O ATOM 136 CB PRO A 10 -2.364 -12.124 5.331 1.00 0.00 C ATOM 137 CG PRO A 10 -2.051 -10.688 4.928 1.00 0.00 C ATOM 138 CD PRO A 10 -0.628 -10.519 5.432 1.00 0.00 C ATOM 0 HA PRO A 10 -0.877 -13.688 5.758 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -3.172 -12.544 4.732 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -2.672 -12.193 6.374 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -2.122 -10.543 3.850 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -2.735 -9.976 5.391 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -0.095 -9.760 4.859 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -0.615 -10.200 6.474 1.00 0.00 H new ATOM 143 N ALA A 11 -1.638 -14.622 3.524 1.00 0.00 N ATOM 144 CA ALA A 11 -1.995 -15.190 2.222 1.00 0.00 C ATOM 145 C ALA A 11 -3.191 -14.441 1.605 1.00 0.00 C ATOM 146 O ALA A 11 -4.030 -13.883 2.318 1.00 0.00 O ATOM 147 CB ALA A 11 -2.308 -16.679 2.416 1.00 0.00 C ATOM 0 H ALA A 11 -1.908 -15.209 4.313 1.00 0.00 H new ATOM 0 HA ALA A 11 -1.162 -15.081 1.527 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -2.577 -17.122 1.457 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -1.430 -17.186 2.817 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -3.140 -16.788 3.112 1.00 0.00 H new ATOM 153 N ARG A 12 -3.323 -14.458 0.272 1.00 0.00 N ATOM 154 CA ARG A 12 -4.375 -13.696 -0.422 1.00 0.00 C ATOM 155 C ARG A 12 -5.800 -14.157 -0.072 1.00 0.00 C ATOM 156 O ARG A 12 -6.722 -13.346 -0.114 1.00 0.00 O ATOM 157 CB ARG A 12 -4.105 -13.703 -1.941 1.00 0.00 C ATOM 158 CG ARG A 12 -5.037 -12.801 -2.772 1.00 0.00 C ATOM 159 CD ARG A 12 -5.125 -11.345 -2.293 1.00 0.00 C ATOM 160 NE ARG A 12 -6.151 -10.591 -3.039 1.00 0.00 N ATOM 161 CZ ARG A 12 -7.464 -10.633 -2.832 1.00 0.00 C ATOM 162 NH1 ARG A 12 -8.014 -11.403 -1.923 1.00 0.00 N ATOM 163 NH2 ARG A 12 -8.275 -9.897 -3.557 1.00 0.00 N ATOM 0 H ARG A 12 -2.715 -14.991 -0.350 1.00 0.00 H new ATOM 0 HA ARG A 12 -4.328 -12.667 -0.064 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -3.075 -13.392 -2.113 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -4.194 -14.726 -2.306 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -4.696 -12.807 -3.807 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -6.038 -13.232 -2.763 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -5.359 -11.325 -1.229 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -4.156 -10.861 -2.415 1.00 0.00 H new ATOM 0 HE ARG A 12 -5.821 -9.979 -3.785 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -7.429 -12.002 -1.340 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -9.026 -11.403 -1.799 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -7.899 -9.288 -4.284 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -9.281 -9.934 -3.393 1.00 0.00 H new ATOM 174 N ASP A 13 -5.980 -15.412 0.341 1.00 0.00 N ATOM 175 CA ASP A 13 -7.252 -15.947 0.851 1.00 0.00 C ATOM 176 C ASP A 13 -7.596 -15.435 2.265 1.00 0.00 C ATOM 177 O ASP A 13 -8.772 -15.286 2.589 1.00 0.00 O ATOM 178 CB ASP A 13 -7.187 -17.481 0.861 1.00 0.00 C ATOM 179 CG ASP A 13 -7.044 -18.082 -0.541 1.00 0.00 C ATOM 180 OD1 ASP A 13 -8.083 -18.263 -1.225 1.00 0.00 O ATOM 181 OD2 ASP A 13 -5.899 -18.384 -0.952 1.00 0.00 O ATOM 0 H ASP A 13 -5.231 -16.104 0.332 1.00 0.00 H new ATOM 0 HA ASP A 13 -8.041 -15.597 0.186 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -6.345 -17.800 1.475 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -8.089 -17.875 1.329 1.00 0.00 H new ATOM 185 N GLU A 14 -6.592 -15.119 3.096 1.00 0.00 N ATOM 186 CA GLU A 14 -6.759 -14.488 4.412 1.00 0.00 C ATOM 187 C GLU A 14 -7.007 -12.976 4.256 1.00 0.00 C ATOM 188 O GLU A 14 -7.822 -12.395 4.975 1.00 0.00 O ATOM 189 CB GLU A 14 -5.499 -14.711 5.260 1.00 0.00 C ATOM 190 CG GLU A 14 -5.192 -16.180 5.577 1.00 0.00 C ATOM 191 CD GLU A 14 -3.902 -16.296 6.403 1.00 0.00 C ATOM 192 OE1 GLU A 14 -2.808 -15.979 5.875 1.00 0.00 O ATOM 193 OE2 GLU A 14 -3.979 -16.710 7.585 1.00 0.00 O ATOM 0 H GLU A 14 -5.615 -15.300 2.864 1.00 0.00 H new ATOM 0 HA GLU A 14 -7.619 -14.940 4.906 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -4.645 -14.280 4.738 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -5.607 -14.166 6.198 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -6.023 -16.621 6.127 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -5.089 -16.744 4.650 1.00 0.00 H new ATOM 198 N LEU A 15 -6.340 -12.353 3.279 1.00 0.00 N ATOM 199 CA LEU A 15 -6.514 -10.955 2.892 1.00 0.00 C ATOM 200 C LEU A 15 -7.952 -10.665 2.434 1.00 0.00 C ATOM 201 O LEU A 15 -8.508 -9.621 2.756 1.00 0.00 O ATOM 202 CB LEU A 15 -5.527 -10.661 1.747 1.00 0.00 C ATOM 203 CG LEU A 15 -5.208 -9.169 1.564 1.00 0.00 C ATOM 204 CD1 LEU A 15 -3.998 -8.772 2.413 1.00 0.00 C ATOM 205 CD2 LEU A 15 -4.873 -8.870 0.105 1.00 0.00 C ATOM 0 H LEU A 15 -5.637 -12.831 2.716 1.00 0.00 H new ATOM 0 HA LEU A 15 -6.319 -10.315 3.753 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -4.598 -11.200 1.934 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -5.940 -11.051 0.816 1.00 0.00 H new ATOM 0 HG LEU A 15 -6.087 -8.604 1.873 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -3.786 -7.712 2.271 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -4.213 -8.962 3.465 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -3.132 -9.359 2.109 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -4.650 -7.809 -0.007 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -4.006 -9.457 -0.197 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -5.724 -9.130 -0.524 1.00 0.00 H new ATOM 216 N ASP A 16 -8.574 -11.604 1.721 1.00 0.00 N ATOM 217 CA ASP A 16 -9.921 -11.480 1.144 1.00 0.00 C ATOM 218 C ASP A 16 -11.025 -11.325 2.202 1.00 0.00 C ATOM 219 O ASP A 16 -12.117 -10.838 1.903 1.00 0.00 O ATOM 220 CB ASP A 16 -10.202 -12.738 0.313 1.00 0.00 C ATOM 221 CG ASP A 16 -11.213 -12.460 -0.807 1.00 0.00 C ATOM 222 OD1 ASP A 16 -10.825 -11.752 -1.769 1.00 0.00 O ATOM 223 OD2 ASP A 16 -12.356 -12.970 -0.744 1.00 0.00 O ATOM 0 H ASP A 16 -8.142 -12.506 1.520 1.00 0.00 H new ATOM 0 HA ASP A 16 -9.937 -10.575 0.537 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -9.271 -13.105 -0.119 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -10.584 -13.526 0.962 1.00 0.00 H new ATOM 227 N ARG A 17 -10.726 -11.745 3.436 1.00 0.00 N ATOM 228 CA ARG A 17 -11.638 -11.767 4.578 1.00 0.00 C ATOM 229 C ARG A 17 -11.552 -10.488 5.426 1.00 0.00 C ATOM 230 O ARG A 17 -12.366 -10.322 6.341 1.00 0.00 O ATOM 231 CB ARG A 17 -11.304 -13.010 5.416 1.00 0.00 C ATOM 232 CG ARG A 17 -11.587 -14.315 4.647 1.00 0.00 C ATOM 233 CD ARG A 17 -10.993 -15.531 5.354 1.00 0.00 C ATOM 234 NE ARG A 17 -11.287 -16.768 4.611 1.00 0.00 N ATOM 235 CZ ARG A 17 -11.038 -18.008 5.012 1.00 0.00 C ATOM 236 NH1 ARG A 17 -10.498 -18.264 6.188 1.00 0.00 N ATOM 237 NH2 ARG A 17 -11.324 -19.022 4.223 1.00 0.00 N ATOM 0 H ARG A 17 -9.798 -12.094 3.674 1.00 0.00 H new ATOM 0 HA ARG A 17 -12.665 -11.810 4.216 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -10.254 -12.980 5.707 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -11.890 -12.996 6.335 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -12.664 -14.447 4.540 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -11.173 -14.241 3.641 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -9.914 -15.409 5.452 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -11.398 -15.603 6.363 1.00 0.00 H new ATOM 0 HE ARG A 17 -11.726 -16.661 3.697 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -10.260 -17.498 6.818 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -10.319 -19.228 6.468 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -11.736 -18.854 3.305 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -11.133 -19.976 4.529 1.00 0.00 H new ATOM 248 N LEU A 18 -10.603 -9.581 5.147 1.00 0.00 N ATOM 249 CA LEU A 18 -10.568 -8.238 5.780 1.00 0.00 C ATOM 250 C LEU A 18 -11.823 -7.403 5.441 1.00 0.00 C ATOM 251 O LEU A 18 -12.548 -7.736 4.504 1.00 0.00 O ATOM 252 CB LEU A 18 -9.220 -7.525 5.501 1.00 0.00 C ATOM 253 CG LEU A 18 -9.024 -6.789 4.148 1.00 0.00 C ATOM 254 CD1 LEU A 18 -9.699 -5.406 4.064 1.00 0.00 C ATOM 255 CD2 LEU A 18 -7.514 -6.579 3.934 1.00 0.00 C ATOM 0 H LEU A 18 -9.844 -9.747 4.486 1.00 0.00 H new ATOM 0 HA LEU A 18 -10.612 -8.364 6.862 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -9.061 -6.798 6.297 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -8.429 -8.270 5.588 1.00 0.00 H new ATOM 0 HG LEU A 18 -9.491 -7.416 3.388 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -9.509 -4.967 3.085 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -10.774 -5.516 4.210 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -9.293 -4.755 4.838 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -7.349 -6.063 2.988 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -7.111 -5.979 4.750 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -7.012 -7.546 3.912 1.00 0.00 H new ATOM 266 N ALA A 19 -12.089 -6.318 6.181 1.00 0.00 N ATOM 267 CA ALA A 19 -13.286 -5.478 5.982 1.00 0.00 C ATOM 268 C ALA A 19 -13.043 -3.960 5.979 1.00 0.00 C ATOM 269 O ALA A 19 -13.645 -3.248 5.171 1.00 0.00 O ATOM 270 CB ALA A 19 -14.313 -5.870 7.054 1.00 0.00 C ATOM 0 H ALA A 19 -11.483 -5.995 6.935 1.00 0.00 H new ATOM 0 HA ALA A 19 -13.650 -5.676 4.974 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -15.212 -5.266 6.935 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -14.567 -6.924 6.946 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -13.889 -5.698 8.044 1.00 0.00 H new ATOM 276 N GLY A 20 -12.167 -3.444 6.847 1.00 0.00 N ATOM 277 CA GLY A 20 -11.889 -2.009 6.956 1.00 0.00 C ATOM 278 C GLY A 20 -10.990 -1.485 5.831 1.00 0.00 C ATOM 279 O GLY A 20 -10.423 -2.284 5.082 1.00 0.00 O ATOM 0 H GLY A 20 -11.627 -4.015 7.498 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -12.831 -1.460 6.946 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -11.414 -1.809 7.916 1.00 0.00 H new ATOM 283 N PRO A 21 -10.852 -0.149 5.694 1.00 0.00 N ATOM 284 CA PRO A 21 -9.985 0.455 4.690 1.00 0.00 C ATOM 285 C PRO A 21 -8.528 0.094 5.000 1.00 0.00 C ATOM 286 O PRO A 21 -7.953 0.552 5.987 1.00 0.00 O ATOM 287 CB PRO A 21 -10.268 1.962 4.745 1.00 0.00 C ATOM 288 CG PRO A 21 -10.754 2.188 6.180 1.00 0.00 C ATOM 289 CD PRO A 21 -11.481 0.882 6.509 1.00 0.00 C ATOM 0 HA PRO A 21 -10.172 0.093 3.679 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -9.373 2.546 4.529 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -11.023 2.254 4.016 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -9.924 2.371 6.863 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -11.419 3.049 6.250 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -11.396 0.646 7.570 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -12.545 0.961 6.284 1.00 0.00 H new ATOM 294 N THR A 22 -7.947 -0.762 4.152 1.00 0.00 N ATOM 295 CA THR A 22 -6.589 -1.298 4.318 1.00 0.00 C ATOM 296 C THR A 22 -5.814 -1.103 3.028 1.00 0.00 C ATOM 297 O THR A 22 -6.151 -1.681 1.999 1.00 0.00 O ATOM 298 CB THR A 22 -6.630 -2.784 4.698 1.00 0.00 C ATOM 299 OG1 THR A 22 -7.379 -2.941 5.879 1.00 0.00 O ATOM 300 CG2 THR A 22 -5.227 -3.353 4.939 1.00 0.00 C ATOM 0 H THR A 22 -8.415 -1.109 3.315 1.00 0.00 H new ATOM 0 HA THR A 22 -6.092 -0.761 5.126 1.00 0.00 H new ATOM 0 HB THR A 22 -7.085 -3.323 3.867 1.00 0.00 H new ATOM 0 HG1 THR A 22 -8.323 -2.750 5.696 1.00 0.00 H new ATOM 0 HG21 THR A 22 -5.303 -4.407 5.205 1.00 0.00 H new ATOM 0 HG22 THR A 22 -4.632 -3.250 4.032 1.00 0.00 H new ATOM 0 HG23 THR A 22 -4.748 -2.807 5.751 1.00 0.00 H new ATOM 308 N LEU A 23 -4.747 -0.315 3.082 1.00 0.00 N ATOM 309 CA LEU A 23 -3.799 -0.195 1.981 1.00 0.00 C ATOM 310 C LEU A 23 -2.774 -1.334 2.061 1.00 0.00 C ATOM 311 O LEU A 23 -2.200 -1.574 3.125 1.00 0.00 O ATOM 312 CB LEU A 23 -3.157 1.205 2.040 1.00 0.00 C ATOM 313 CG LEU A 23 -2.247 1.534 0.844 1.00 0.00 C ATOM 314 CD1 LEU A 23 -2.959 1.280 -0.483 1.00 0.00 C ATOM 315 CD2 LEU A 23 -1.742 2.963 0.925 1.00 0.00 C ATOM 0 H LEU A 23 -4.514 0.260 3.892 1.00 0.00 H new ATOM 0 HA LEU A 23 -4.295 -0.291 1.015 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -3.948 1.953 2.096 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -2.575 1.287 2.958 1.00 0.00 H new ATOM 0 HG LEU A 23 -1.386 0.867 0.889 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -2.289 1.522 -1.308 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -3.248 0.231 -0.546 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -3.850 1.905 -0.544 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -1.101 3.171 0.068 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -2.589 3.649 0.920 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -1.173 3.096 1.845 1.00 0.00 H new ATOM 326 N VAL A 24 -2.533 -2.019 0.943 1.00 0.00 N ATOM 327 CA VAL A 24 -1.541 -3.097 0.823 1.00 0.00 C ATOM 328 C VAL A 24 -0.419 -2.649 -0.109 1.00 0.00 C ATOM 329 O VAL A 24 -0.653 -2.448 -1.299 1.00 0.00 O ATOM 330 CB VAL A 24 -2.184 -4.410 0.319 1.00 0.00 C ATOM 331 CG1 VAL A 24 -1.180 -5.575 0.313 1.00 0.00 C ATOM 332 CG2 VAL A 24 -3.390 -4.813 1.184 1.00 0.00 C ATOM 0 H VAL A 24 -3.032 -1.838 0.072 1.00 0.00 H new ATOM 0 HA VAL A 24 -1.130 -3.303 1.811 1.00 0.00 H new ATOM 0 HB VAL A 24 -2.512 -4.213 -0.702 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -1.673 -6.478 -0.048 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -0.344 -5.331 -0.342 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -0.811 -5.743 1.325 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -3.818 -5.740 0.802 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -3.066 -4.960 2.214 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -4.142 -4.025 1.150 1.00 0.00 H new ATOM 342 N GLU A 25 0.777 -2.470 0.450 1.00 0.00 N ATOM 343 CA GLU A 25 1.971 -1.927 -0.193 1.00 0.00 C ATOM 344 C GLU A 25 3.023 -3.016 -0.431 1.00 0.00 C ATOM 345 O GLU A 25 3.337 -3.796 0.472 1.00 0.00 O ATOM 346 CB GLU A 25 2.532 -0.784 0.667 1.00 0.00 C ATOM 347 CG GLU A 25 3.923 -0.319 0.254 1.00 0.00 C ATOM 348 CD GLU A 25 4.315 1.043 0.845 1.00 0.00 C ATOM 349 OE1 GLU A 25 4.905 1.090 1.949 1.00 0.00 O ATOM 350 OE2 GLU A 25 4.095 2.066 0.155 1.00 0.00 O ATOM 0 H GLU A 25 0.948 -2.716 1.425 1.00 0.00 H new ATOM 0 HA GLU A 25 1.699 -1.534 -1.173 1.00 0.00 H new ATOM 0 HB2 GLU A 25 1.848 0.063 0.617 1.00 0.00 H new ATOM 0 HB3 GLU A 25 2.563 -1.108 1.707 1.00 0.00 H new ATOM 0 HG2 GLU A 25 4.654 -1.065 0.565 1.00 0.00 H new ATOM 0 HG3 GLU A 25 3.970 -0.261 -0.833 1.00 0.00 H new ATOM 355 N PHE A 26 3.599 -3.030 -1.635 1.00 0.00 N ATOM 356 CA PHE A 26 4.645 -3.957 -2.067 1.00 0.00 C ATOM 357 C PHE A 26 5.979 -3.215 -2.240 1.00 0.00 C ATOM 358 O PHE A 26 6.010 -2.094 -2.751 1.00 0.00 O ATOM 359 CB PHE A 26 4.220 -4.632 -3.380 1.00 0.00 C ATOM 360 CG PHE A 26 2.793 -5.136 -3.363 1.00 0.00 C ATOM 361 CD1 PHE A 26 2.469 -6.352 -2.736 1.00 0.00 C ATOM 362 CD2 PHE A 26 1.769 -4.340 -3.909 1.00 0.00 C ATOM 363 CE1 PHE A 26 1.121 -6.752 -2.638 1.00 0.00 C ATOM 364 CE2 PHE A 26 0.431 -4.732 -3.786 1.00 0.00 C ATOM 365 CZ PHE A 26 0.103 -5.930 -3.140 1.00 0.00 C ATOM 0 H PHE A 26 3.338 -2.368 -2.365 1.00 0.00 H new ATOM 0 HA PHE A 26 4.785 -4.724 -1.306 1.00 0.00 H new ATOM 0 HB2 PHE A 26 4.337 -3.922 -4.199 1.00 0.00 H new ATOM 0 HB3 PHE A 26 4.890 -5.467 -3.584 1.00 0.00 H new ATOM 0 HD1 PHE A 26 3.251 -6.978 -2.331 1.00 0.00 H new ATOM 0 HD2 PHE A 26 2.016 -3.424 -4.425 1.00 0.00 H new ATOM 0 HE1 PHE A 26 0.872 -7.695 -2.174 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -0.352 -4.108 -4.191 1.00 0.00 H new ATOM 0 HZ PHE A 26 -0.931 -6.220 -3.029 1.00 0.00 H new ATOM 374 N GLY A 27 7.073 -3.859 -1.822 1.00 0.00 N ATOM 375 CA GLY A 27 8.434 -3.312 -1.872 1.00 0.00 C ATOM 376 C GLY A 27 9.322 -3.877 -0.765 1.00 0.00 C ATOM 377 O GLY A 27 9.053 -4.964 -0.255 1.00 0.00 O ATOM 0 H GLY A 27 7.036 -4.800 -1.429 1.00 0.00 H new ATOM 0 HA2 GLY A 27 8.878 -3.535 -2.842 1.00 0.00 H new ATOM 0 HA3 GLY A 27 8.391 -2.226 -1.783 1.00 0.00 H new ATOM 381 N THR A 28 10.382 -3.158 -0.382 1.00 0.00 N ATOM 382 CA THR A 28 11.262 -3.481 0.758 1.00 0.00 C ATOM 383 C THR A 28 11.611 -2.212 1.533 1.00 0.00 C ATOM 384 O THR A 28 11.244 -1.115 1.125 1.00 0.00 O ATOM 385 CB THR A 28 12.536 -4.215 0.309 1.00 0.00 C ATOM 386 OG1 THR A 28 13.316 -3.349 -0.489 1.00 0.00 O ATOM 387 CG2 THR A 28 12.248 -5.502 -0.461 1.00 0.00 C ATOM 0 H THR A 28 10.665 -2.307 -0.869 1.00 0.00 H new ATOM 0 HA THR A 28 10.717 -4.157 1.416 1.00 0.00 H new ATOM 0 HB THR A 28 13.076 -4.503 1.211 1.00 0.00 H new ATOM 0 HG1 THR A 28 14.264 -3.574 -0.385 1.00 0.00 H new ATOM 0 HG21 THR A 28 13.188 -5.972 -0.749 1.00 0.00 H new ATOM 0 HG22 THR A 28 11.680 -6.185 0.171 1.00 0.00 H new ATOM 0 HG23 THR A 28 11.670 -5.269 -1.355 1.00 0.00 H new ATOM 395 N ASP A 29 12.329 -2.337 2.645 1.00 0.00 N ATOM 396 CA ASP A 29 12.757 -1.169 3.429 1.00 0.00 C ATOM 397 C ASP A 29 14.033 -0.521 2.860 1.00 0.00 C ATOM 398 O ASP A 29 14.479 0.513 3.361 1.00 0.00 O ATOM 399 CB ASP A 29 12.925 -1.594 4.899 1.00 0.00 C ATOM 400 CG ASP A 29 13.036 -0.376 5.841 1.00 0.00 C ATOM 401 OD1 ASP A 29 12.092 0.455 5.849 1.00 0.00 O ATOM 402 OD2 ASP A 29 14.040 -0.297 6.589 1.00 0.00 O ATOM 0 H ASP A 29 12.630 -3.233 3.029 1.00 0.00 H new ATOM 0 HA ASP A 29 11.989 -0.398 3.367 1.00 0.00 H new ATOM 0 HB2 ASP A 29 12.076 -2.209 5.199 1.00 0.00 H new ATOM 0 HB3 ASP A 29 13.817 -2.212 4.998 1.00 0.00 H new ATOM 406 N TRP A 30 14.631 -1.116 1.817 1.00 0.00 N ATOM 407 CA TRP A 30 16.002 -0.839 1.382 1.00 0.00 C ATOM 408 C TRP A 30 16.167 -0.501 -0.118 1.00 0.00 C ATOM 409 O TRP A 30 17.217 0.033 -0.484 1.00 0.00 O ATOM 410 CB TRP A 30 16.889 -2.027 1.799 1.00 0.00 C ATOM 411 CG TRP A 30 16.432 -3.402 1.403 1.00 0.00 C ATOM 412 CD1 TRP A 30 15.829 -4.304 2.213 1.00 0.00 C ATOM 413 CD2 TRP A 30 16.573 -4.060 0.105 1.00 0.00 C ATOM 414 NE1 TRP A 30 15.580 -5.466 1.509 1.00 0.00 N ATOM 415 CE2 TRP A 30 15.997 -5.365 0.197 1.00 0.00 C ATOM 416 CE3 TRP A 30 17.111 -3.682 -1.143 1.00 0.00 C ATOM 417 CZ2 TRP A 30 15.941 -6.238 -0.900 1.00 0.00 C ATOM 418 CZ3 TRP A 30 17.060 -4.549 -2.247 1.00 0.00 C ATOM 419 CH2 TRP A 30 16.468 -5.825 -2.134 1.00 0.00 C ATOM 0 H TRP A 30 14.163 -1.817 1.243 1.00 0.00 H new ATOM 0 HA TRP A 30 16.315 0.079 1.880 1.00 0.00 H new ATOM 0 HB2 TRP A 30 17.883 -1.869 1.381 1.00 0.00 H new ATOM 0 HB3 TRP A 30 16.993 -2.006 2.884 1.00 0.00 H new ATOM 0 HD1 TRP A 30 15.581 -4.140 3.251 1.00 0.00 H new ATOM 0 HE1 TRP A 30 15.142 -6.296 1.909 1.00 0.00 H new ATOM 0 HE3 TRP A 30 17.570 -2.710 -1.251 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 15.497 -7.217 -0.796 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 17.478 -4.236 -3.192 1.00 0.00 H new ATOM 0 HH2 TRP A 30 16.421 -6.480 -2.992 1.00 0.00 H new ATOM 429 N CYS A 31 15.172 -0.745 -0.984 1.00 0.00 N ATOM 430 CA CYS A 31 15.259 -0.365 -2.404 1.00 0.00 C ATOM 431 C CYS A 31 15.068 1.153 -2.592 1.00 0.00 C ATOM 432 O CYS A 31 14.271 1.784 -1.892 1.00 0.00 O ATOM 433 CB CYS A 31 14.241 -1.166 -3.230 1.00 0.00 C ATOM 434 SG CYS A 31 14.413 -0.767 -5.005 1.00 0.00 S ATOM 0 H CYS A 31 14.298 -1.203 -0.727 1.00 0.00 H new ATOM 0 HA CYS A 31 16.259 -0.608 -2.764 1.00 0.00 H new ATOM 0 HB2 CYS A 31 14.395 -2.234 -3.073 1.00 0.00 H new ATOM 0 HB3 CYS A 31 13.229 -0.937 -2.895 1.00 0.00 H new ATOM 0 HG CYS A 31 13.547 -1.453 -5.690 1.00 0.00 H new ATOM 439 N GLY A 32 15.762 1.735 -3.578 1.00 0.00 N ATOM 440 CA GLY A 32 15.700 3.161 -3.937 1.00 0.00 C ATOM 441 C GLY A 32 14.324 3.622 -4.421 1.00 0.00 C ATOM 442 O GLY A 32 13.958 4.779 -4.197 1.00 0.00 O ATOM 0 H GLY A 32 16.405 1.209 -4.170 1.00 0.00 H new ATOM 0 HA2 GLY A 32 15.987 3.756 -3.070 1.00 0.00 H new ATOM 0 HA3 GLY A 32 16.434 3.361 -4.718 1.00 0.00 H new ATOM 446 N HIS A 33 13.519 2.725 -4.994 1.00 0.00 N ATOM 447 CA HIS A 33 12.092 2.954 -5.249 1.00 0.00 C ATOM 448 C HIS A 33 11.341 3.259 -3.944 1.00 0.00 C ATOM 449 O HIS A 33 10.597 4.238 -3.841 1.00 0.00 O ATOM 450 CB HIS A 33 11.489 1.691 -5.888 1.00 0.00 C ATOM 451 CG HIS A 33 11.680 1.499 -7.371 1.00 0.00 C ATOM 452 ND1 HIS A 33 11.862 0.285 -7.999 1.00 0.00 N ATOM 453 CD2 HIS A 33 11.475 2.434 -8.352 1.00 0.00 C ATOM 454 CE1 HIS A 33 11.742 0.485 -9.321 1.00 0.00 C ATOM 455 NE2 HIS A 33 11.510 1.782 -9.593 1.00 0.00 N ATOM 0 H HIS A 33 13.842 1.807 -5.299 1.00 0.00 H new ATOM 0 HA HIS A 33 11.991 3.809 -5.917 1.00 0.00 H new ATOM 0 HB2 HIS A 33 11.911 0.824 -5.380 1.00 0.00 H new ATOM 0 HB3 HIS A 33 10.418 1.690 -5.684 1.00 0.00 H new ATOM 0 HD2 HIS A 33 11.314 3.491 -8.196 1.00 0.00 H new ATOM 0 HE1 HIS A 33 11.821 -0.292 -10.067 1.00 0.00 H new ATOM 0 HE2 HIS A 33 11.385 2.204 -10.513 1.00 0.00 H new ATOM 463 N CYS A 34 11.566 2.432 -2.922 1.00 0.00 N ATOM 464 CA CYS A 34 10.928 2.563 -1.624 1.00 0.00 C ATOM 465 C CYS A 34 11.412 3.779 -0.836 1.00 0.00 C ATOM 466 O CYS A 34 10.607 4.399 -0.150 1.00 0.00 O ATOM 467 CB CYS A 34 11.179 1.278 -0.848 1.00 0.00 C ATOM 468 SG CYS A 34 9.839 0.136 -1.264 1.00 0.00 S ATOM 0 H CYS A 34 12.208 1.642 -2.980 1.00 0.00 H new ATOM 0 HA CYS A 34 9.861 2.724 -1.777 1.00 0.00 H new ATOM 0 HB2 CYS A 34 12.146 0.850 -1.113 1.00 0.00 H new ATOM 0 HB3 CYS A 34 11.200 1.473 0.224 1.00 0.00 H new ATOM 0 HG CYS A 34 10.265 -0.737 -2.128 1.00 0.00 H new ATOM 473 N GLN A 35 12.675 4.182 -0.969 1.00 0.00 N ATOM 474 CA GLN A 35 13.199 5.319 -0.203 1.00 0.00 C ATOM 475 C GLN A 35 12.509 6.642 -0.586 1.00 0.00 C ATOM 476 O GLN A 35 12.507 7.594 0.191 1.00 0.00 O ATOM 477 CB GLN A 35 14.711 5.486 -0.400 1.00 0.00 C ATOM 478 CG GLN A 35 15.556 4.240 -0.119 1.00 0.00 C ATOM 479 CD GLN A 35 15.202 3.502 1.161 1.00 0.00 C ATOM 480 OE1 GLN A 35 15.439 3.964 2.272 1.00 0.00 O ATOM 481 NE2 GLN A 35 14.640 2.322 1.048 1.00 0.00 N ATOM 0 H GLN A 35 13.352 3.744 -1.594 1.00 0.00 H new ATOM 0 HA GLN A 35 12.989 5.094 0.843 1.00 0.00 H new ATOM 0 HB2 GLN A 35 14.893 5.802 -1.427 1.00 0.00 H new ATOM 0 HB3 GLN A 35 15.057 6.292 0.248 1.00 0.00 H new ATOM 0 HG2 GLN A 35 15.453 3.552 -0.958 1.00 0.00 H new ATOM 0 HG3 GLN A 35 16.605 4.533 -0.074 1.00 0.00 H new ATOM 0 HE21 GLN A 35 14.443 1.937 0.124 1.00 0.00 H new ATOM 0 HE22 GLN A 35 14.400 1.789 1.884 1.00 0.00 H new ATOM 488 N ALA A 36 11.920 6.680 -1.783 1.00 0.00 N ATOM 489 CA ALA A 36 11.123 7.787 -2.313 1.00 0.00 C ATOM 490 C ALA A 36 9.638 7.682 -1.924 1.00 0.00 C ATOM 491 O ALA A 36 9.024 8.694 -1.585 1.00 0.00 O ATOM 492 CB ALA A 36 11.314 7.790 -3.840 1.00 0.00 C ATOM 0 H ALA A 36 11.989 5.903 -2.440 1.00 0.00 H new ATOM 0 HA ALA A 36 11.462 8.729 -1.881 1.00 0.00 H new ATOM 0 HB1 ALA A 36 10.735 8.603 -4.278 1.00 0.00 H new ATOM 0 HB2 ALA A 36 12.369 7.929 -4.074 1.00 0.00 H new ATOM 0 HB3 ALA A 36 10.973 6.840 -4.251 1.00 0.00 H new ATOM 498 N ALA A 37 9.058 6.476 -1.947 1.00 0.00 N ATOM 499 CA ALA A 37 7.627 6.260 -1.690 1.00 0.00 C ATOM 500 C ALA A 37 7.287 6.105 -0.198 1.00 0.00 C ATOM 501 O ALA A 37 6.202 6.496 0.230 1.00 0.00 O ATOM 502 CB ALA A 37 7.162 5.046 -2.501 1.00 0.00 C ATOM 0 H ALA A 37 9.570 5.617 -2.146 1.00 0.00 H new ATOM 0 HA ALA A 37 7.089 7.153 -2.008 1.00 0.00 H new ATOM 0 HB1 ALA A 37 6.101 4.873 -2.321 1.00 0.00 H new ATOM 0 HB2 ALA A 37 7.324 5.234 -3.562 1.00 0.00 H new ATOM 0 HB3 ALA A 37 7.730 4.167 -2.198 1.00 0.00 H new ATOM 508 N GLN A 38 8.212 5.588 0.612 1.00 0.00 N ATOM 509 CA GLN A 38 8.014 5.418 2.055 1.00 0.00 C ATOM 510 C GLN A 38 7.750 6.752 2.784 1.00 0.00 C ATOM 511 O GLN A 38 6.727 6.830 3.475 1.00 0.00 O ATOM 512 CB GLN A 38 9.212 4.690 2.683 1.00 0.00 C ATOM 513 CG GLN A 38 9.176 3.167 2.463 1.00 0.00 C ATOM 514 CD GLN A 38 10.358 2.482 3.154 1.00 0.00 C ATOM 515 OE1 GLN A 38 11.459 2.425 2.634 1.00 0.00 O ATOM 516 NE2 GLN A 38 10.181 1.962 4.356 1.00 0.00 N ATOM 0 H GLN A 38 9.125 5.273 0.285 1.00 0.00 H new ATOM 0 HA GLN A 38 7.119 4.808 2.179 1.00 0.00 H new ATOM 0 HB2 GLN A 38 10.134 5.090 2.262 1.00 0.00 H new ATOM 0 HB3 GLN A 38 9.235 4.896 3.753 1.00 0.00 H new ATOM 0 HG2 GLN A 38 8.241 2.763 2.850 1.00 0.00 H new ATOM 0 HG3 GLN A 38 9.200 2.950 1.395 1.00 0.00 H new ATOM 0 HE21 GLN A 38 9.264 2.004 4.800 1.00 0.00 H new ATOM 0 HE22 GLN A 38 10.962 1.518 4.840 1.00 0.00 H new ATOM 523 N PRO A 39 8.591 7.807 2.653 1.00 0.00 N ATOM 524 CA PRO A 39 8.307 9.111 3.260 1.00 0.00 C ATOM 525 C PRO A 39 7.109 9.808 2.599 1.00 0.00 C ATOM 526 O PRO A 39 6.536 10.719 3.189 1.00 0.00 O ATOM 527 CB PRO A 39 9.592 9.929 3.119 1.00 0.00 C ATOM 528 CG PRO A 39 10.225 9.357 1.859 1.00 0.00 C ATOM 529 CD PRO A 39 9.862 7.874 1.941 1.00 0.00 C ATOM 0 HA PRO A 39 8.024 9.000 4.307 1.00 0.00 H new ATOM 0 HB2 PRO A 39 9.383 10.994 3.018 1.00 0.00 H new ATOM 0 HB3 PRO A 39 10.242 9.812 3.986 1.00 0.00 H new ATOM 0 HG2 PRO A 39 9.825 9.822 0.958 1.00 0.00 H new ATOM 0 HG3 PRO A 39 11.304 9.509 1.844 1.00 0.00 H new ATOM 0 HD2 PRO A 39 9.774 7.439 0.946 1.00 0.00 H new ATOM 0 HD3 PRO A 39 10.634 7.313 2.468 1.00 0.00 H new ATOM 534 N LEU A 40 6.697 9.371 1.400 1.00 0.00 N ATOM 535 CA LEU A 40 5.481 9.847 0.733 1.00 0.00 C ATOM 536 C LEU A 40 4.257 9.364 1.502 1.00 0.00 C ATOM 537 O LEU A 40 3.470 10.181 1.984 1.00 0.00 O ATOM 538 CB LEU A 40 5.444 9.321 -0.713 1.00 0.00 C ATOM 539 CG LEU A 40 5.115 10.324 -1.820 1.00 0.00 C ATOM 540 CD1 LEU A 40 3.900 11.191 -1.482 1.00 0.00 C ATOM 541 CD2 LEU A 40 6.322 11.202 -2.175 1.00 0.00 C ATOM 0 H LEU A 40 7.206 8.669 0.862 1.00 0.00 H new ATOM 0 HA LEU A 40 5.479 10.937 0.711 1.00 0.00 H new ATOM 0 HB2 LEU A 40 6.416 8.881 -0.936 1.00 0.00 H new ATOM 0 HB3 LEU A 40 4.711 8.516 -0.760 1.00 0.00 H new ATOM 0 HG LEU A 40 4.859 9.730 -2.697 1.00 0.00 H new ATOM 0 HD11 LEU A 40 3.710 11.885 -2.300 1.00 0.00 H new ATOM 0 HD12 LEU A 40 3.028 10.554 -1.336 1.00 0.00 H new ATOM 0 HD13 LEU A 40 4.096 11.752 -0.568 1.00 0.00 H new ATOM 0 HD21 LEU A 40 6.045 11.900 -2.965 1.00 0.00 H new ATOM 0 HD22 LEU A 40 6.638 11.759 -1.293 1.00 0.00 H new ATOM 0 HD23 LEU A 40 7.142 10.572 -2.519 1.00 0.00 H new ATOM 552 N LEU A 41 4.142 8.038 1.673 1.00 0.00 N ATOM 553 CA LEU A 41 3.051 7.400 2.402 1.00 0.00 C ATOM 554 C LEU A 41 3.001 7.936 3.826 1.00 0.00 C ATOM 555 O LEU A 41 1.928 8.288 4.292 1.00 0.00 O ATOM 556 CB LEU A 41 3.146 5.857 2.388 1.00 0.00 C ATOM 557 CG LEU A 41 2.422 5.139 1.226 1.00 0.00 C ATOM 558 CD1 LEU A 41 0.975 5.584 1.016 1.00 0.00 C ATOM 559 CD2 LEU A 41 3.249 5.262 -0.052 1.00 0.00 C ATOM 0 H LEU A 41 4.820 7.373 1.300 1.00 0.00 H new ATOM 0 HA LEU A 41 2.121 7.650 1.891 1.00 0.00 H new ATOM 0 HB2 LEU A 41 4.200 5.579 2.359 1.00 0.00 H new ATOM 0 HB3 LEU A 41 2.742 5.480 3.328 1.00 0.00 H new ATOM 0 HG LEU A 41 2.343 4.088 1.506 1.00 0.00 H new ATOM 0 HD11 LEU A 41 0.542 5.031 0.182 1.00 0.00 H new ATOM 0 HD12 LEU A 41 0.399 5.387 1.920 1.00 0.00 H new ATOM 0 HD13 LEU A 41 0.951 6.651 0.795 1.00 0.00 H new ATOM 0 HD21 LEU A 41 2.735 4.755 -0.868 1.00 0.00 H new ATOM 0 HD22 LEU A 41 3.377 6.315 -0.303 1.00 0.00 H new ATOM 0 HD23 LEU A 41 4.226 4.804 0.102 1.00 0.00 H new ATOM 570 N ALA A 42 4.152 8.108 4.478 1.00 0.00 N ATOM 571 CA ALA A 42 4.255 8.702 5.813 1.00 0.00 C ATOM 572 C ALA A 42 3.629 10.106 5.900 1.00 0.00 C ATOM 573 O ALA A 42 2.966 10.414 6.889 1.00 0.00 O ATOM 574 CB ALA A 42 5.734 8.722 6.213 1.00 0.00 C ATOM 0 H ALA A 42 5.054 7.834 4.087 1.00 0.00 H new ATOM 0 HA ALA A 42 3.681 8.092 6.511 1.00 0.00 H new ATOM 0 HB1 ALA A 42 5.837 9.161 7.205 1.00 0.00 H new ATOM 0 HB2 ALA A 42 6.122 7.703 6.225 1.00 0.00 H new ATOM 0 HB3 ALA A 42 6.297 9.316 5.494 1.00 0.00 H new ATOM 580 N GLU A 43 3.802 10.943 4.874 1.00 0.00 N ATOM 581 CA GLU A 43 3.216 12.287 4.835 1.00 0.00 C ATOM 582 C GLU A 43 1.696 12.245 4.650 1.00 0.00 C ATOM 583 O GLU A 43 0.976 12.944 5.368 1.00 0.00 O ATOM 584 CB GLU A 43 3.857 13.124 3.719 1.00 0.00 C ATOM 585 CG GLU A 43 5.268 13.600 4.089 1.00 0.00 C ATOM 586 CD GLU A 43 5.241 14.819 5.030 1.00 0.00 C ATOM 587 OE1 GLU A 43 5.062 15.960 4.549 1.00 0.00 O ATOM 588 OE2 GLU A 43 5.416 14.640 6.259 1.00 0.00 O ATOM 0 H GLU A 43 4.352 10.709 4.047 1.00 0.00 H new ATOM 0 HA GLU A 43 3.422 12.754 5.798 1.00 0.00 H new ATOM 0 HB2 GLU A 43 3.903 12.533 2.805 1.00 0.00 H new ATOM 0 HB3 GLU A 43 3.227 13.988 3.508 1.00 0.00 H new ATOM 0 HG2 GLU A 43 5.811 12.785 4.568 1.00 0.00 H new ATOM 0 HG3 GLU A 43 5.813 13.856 3.181 1.00 0.00 H new ATOM 593 N VAL A 44 1.183 11.421 3.728 1.00 0.00 N ATOM 594 CA VAL A 44 -0.270 11.283 3.502 1.00 0.00 C ATOM 595 C VAL A 44 -0.983 10.607 4.692 1.00 0.00 C ATOM 596 O VAL A 44 -1.933 11.171 5.228 1.00 0.00 O ATOM 597 CB VAL A 44 -0.605 10.620 2.142 1.00 0.00 C ATOM 598 CG1 VAL A 44 0.144 9.341 1.827 1.00 0.00 C ATOM 599 CG2 VAL A 44 -2.091 10.296 2.015 1.00 0.00 C ATOM 0 H VAL A 44 1.754 10.834 3.120 1.00 0.00 H new ATOM 0 HA VAL A 44 -0.670 12.295 3.441 1.00 0.00 H new ATOM 0 HB VAL A 44 -0.286 11.382 1.431 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -0.170 8.966 0.853 1.00 0.00 H new ATOM 0 HG12 VAL A 44 1.215 9.541 1.811 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -0.074 8.594 2.590 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -2.281 9.833 1.047 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -2.383 9.609 2.809 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -2.672 11.214 2.098 1.00 0.00 H new ATOM 609 N PHE A 45 -0.505 9.437 5.143 1.00 0.00 N ATOM 610 CA PHE A 45 -1.120 8.630 6.214 1.00 0.00 C ATOM 611 C PHE A 45 -1.296 9.379 7.539 1.00 0.00 C ATOM 612 O PHE A 45 -2.186 9.033 8.317 1.00 0.00 O ATOM 613 CB PHE A 45 -0.302 7.349 6.499 1.00 0.00 C ATOM 614 CG PHE A 45 -0.880 6.066 5.938 1.00 0.00 C ATOM 615 CD1 PHE A 45 -2.043 5.520 6.516 1.00 0.00 C ATOM 616 CD2 PHE A 45 -0.230 5.360 4.909 1.00 0.00 C ATOM 617 CE1 PHE A 45 -2.547 4.293 6.062 1.00 0.00 C ATOM 618 CE2 PHE A 45 -0.731 4.125 4.479 1.00 0.00 C ATOM 619 CZ PHE A 45 -1.908 3.600 5.028 1.00 0.00 C ATOM 0 H PHE A 45 0.342 9.013 4.765 1.00 0.00 H new ATOM 0 HA PHE A 45 -2.109 8.383 5.829 1.00 0.00 H new ATOM 0 HB2 PHE A 45 0.701 7.482 6.094 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -0.198 7.238 7.578 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -2.548 6.048 7.311 1.00 0.00 H new ATOM 0 HD2 PHE A 45 0.657 5.771 4.450 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -3.436 3.879 6.514 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -0.204 3.571 3.716 1.00 0.00 H new ATOM 0 HZ PHE A 45 -2.317 2.672 4.658 1.00 0.00 H new ATOM 628 N SER A 46 -0.474 10.395 7.811 1.00 0.00 N ATOM 629 CA SER A 46 -0.586 11.231 9.014 1.00 0.00 C ATOM 630 C SER A 46 -1.917 12.014 9.101 1.00 0.00 C ATOM 631 O SER A 46 -2.309 12.420 10.196 1.00 0.00 O ATOM 632 CB SER A 46 0.604 12.201 9.095 1.00 0.00 C ATOM 633 OG SER A 46 1.829 11.496 9.274 1.00 0.00 O ATOM 0 H SER A 46 0.296 10.665 7.199 1.00 0.00 H new ATOM 0 HA SER A 46 -0.574 10.550 9.865 1.00 0.00 H new ATOM 0 HB2 SER A 46 0.654 12.797 8.184 1.00 0.00 H new ATOM 0 HB3 SER A 46 0.456 12.895 9.922 1.00 0.00 H new ATOM 0 HG SER A 46 2.143 11.161 8.408 1.00 0.00 H new ATOM 638 N ASP A 47 -2.648 12.185 7.983 1.00 0.00 N ATOM 639 CA ASP A 47 -3.994 12.785 7.945 1.00 0.00 C ATOM 640 C ASP A 47 -5.127 11.733 7.876 1.00 0.00 C ATOM 641 O ASP A 47 -6.299 12.079 8.018 1.00 0.00 O ATOM 642 CB ASP A 47 -4.055 13.756 6.752 1.00 0.00 C ATOM 643 CG ASP A 47 -5.203 14.773 6.882 1.00 0.00 C ATOM 644 OD1 ASP A 47 -5.204 15.555 7.867 1.00 0.00 O ATOM 645 OD2 ASP A 47 -6.073 14.827 5.987 1.00 0.00 O ATOM 0 H ASP A 47 -2.312 11.904 7.062 1.00 0.00 H new ATOM 0 HA ASP A 47 -4.160 13.322 8.879 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -3.108 14.289 6.672 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -4.179 13.188 5.830 1.00 0.00 H new ATOM 649 N TYR A 48 -4.782 10.449 7.684 1.00 0.00 N ATOM 650 CA TYR A 48 -5.728 9.318 7.551 1.00 0.00 C ATOM 651 C TYR A 48 -5.390 8.110 8.470 1.00 0.00 C ATOM 652 O TYR A 48 -5.391 6.964 7.999 1.00 0.00 O ATOM 653 CB TYR A 48 -5.815 8.894 6.073 1.00 0.00 C ATOM 654 CG TYR A 48 -6.080 10.029 5.101 1.00 0.00 C ATOM 655 CD1 TYR A 48 -7.374 10.554 4.951 1.00 0.00 C ATOM 656 CD2 TYR A 48 -5.007 10.611 4.401 1.00 0.00 C ATOM 657 CE1 TYR A 48 -7.603 11.648 4.099 1.00 0.00 C ATOM 658 CE2 TYR A 48 -5.217 11.741 3.590 1.00 0.00 C ATOM 659 CZ TYR A 48 -6.519 12.261 3.431 1.00 0.00 C ATOM 660 OH TYR A 48 -6.721 13.359 2.656 1.00 0.00 O ATOM 0 H TYR A 48 -3.808 10.156 7.614 1.00 0.00 H new ATOM 0 HA TYR A 48 -6.702 9.669 7.891 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -4.881 8.406 5.794 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -6.607 8.152 5.968 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -8.198 10.114 5.494 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -4.017 10.188 4.487 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -8.607 12.020 3.955 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -4.383 12.210 3.090 1.00 0.00 H new ATOM 0 HH TYR A 48 -5.867 13.651 2.273 1.00 0.00 H new ATOM 669 N PRO A 49 -5.131 8.303 9.787 1.00 0.00 N ATOM 670 CA PRO A 49 -4.727 7.229 10.701 1.00 0.00 C ATOM 671 C PRO A 49 -5.782 6.120 10.865 1.00 0.00 C ATOM 672 O PRO A 49 -5.444 5.018 11.293 1.00 0.00 O ATOM 673 CB PRO A 49 -4.420 7.912 12.036 1.00 0.00 C ATOM 674 CG PRO A 49 -5.284 9.170 12.005 1.00 0.00 C ATOM 675 CD PRO A 49 -5.249 9.553 10.525 1.00 0.00 C ATOM 0 HA PRO A 49 -3.860 6.707 10.296 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -4.674 7.272 12.881 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -3.361 8.155 12.127 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -6.299 8.975 12.351 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -4.878 9.958 12.639 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -6.154 10.090 10.240 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -4.407 10.212 10.313 1.00 0.00 H new ATOM 680 N GLU A 50 -7.045 6.369 10.484 1.00 0.00 N ATOM 681 CA GLU A 50 -8.101 5.350 10.449 1.00 0.00 C ATOM 682 C GLU A 50 -7.919 4.288 9.341 1.00 0.00 C ATOM 683 O GLU A 50 -8.551 3.235 9.408 1.00 0.00 O ATOM 684 CB GLU A 50 -9.479 6.030 10.351 1.00 0.00 C ATOM 685 CG GLU A 50 -9.742 6.765 9.025 1.00 0.00 C ATOM 686 CD GLU A 50 -11.100 7.480 9.074 1.00 0.00 C ATOM 687 OE1 GLU A 50 -12.139 6.832 8.804 1.00 0.00 O ATOM 688 OE2 GLU A 50 -11.133 8.692 9.395 1.00 0.00 O ATOM 0 H GLU A 50 -7.363 7.292 10.189 1.00 0.00 H new ATOM 0 HA GLU A 50 -8.030 4.795 11.385 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -10.252 5.275 10.491 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -9.577 6.742 11.171 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -8.949 7.489 8.839 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -9.726 6.055 8.198 1.00 0.00 H new ATOM 693 N VAL A 51 -7.058 4.527 8.347 1.00 0.00 N ATOM 694 CA VAL A 51 -6.666 3.539 7.318 1.00 0.00 C ATOM 695 C VAL A 51 -5.513 2.681 7.869 1.00 0.00 C ATOM 696 O VAL A 51 -4.633 3.196 8.558 1.00 0.00 O ATOM 697 CB VAL A 51 -6.275 4.241 5.984 1.00 0.00 C ATOM 698 CG1 VAL A 51 -5.916 3.249 4.861 1.00 0.00 C ATOM 699 CG2 VAL A 51 -7.410 5.143 5.472 1.00 0.00 C ATOM 0 H VAL A 51 -6.600 5.430 8.226 1.00 0.00 H new ATOM 0 HA VAL A 51 -7.513 2.892 7.091 1.00 0.00 H new ATOM 0 HB VAL A 51 -5.392 4.834 6.224 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -5.653 3.801 3.959 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -5.069 2.638 5.172 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -6.772 2.606 4.656 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -7.105 5.618 4.540 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -8.302 4.542 5.298 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -7.629 5.910 6.215 1.00 0.00 H new ATOM 709 N GLY A 52 -5.508 1.371 7.577 1.00 0.00 N ATOM 710 CA GLY A 52 -4.418 0.439 7.924 1.00 0.00 C ATOM 711 C GLY A 52 -3.395 0.304 6.790 1.00 0.00 C ATOM 712 O GLY A 52 -3.753 0.483 5.630 1.00 0.00 O ATOM 0 H GLY A 52 -6.277 0.918 7.083 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -3.915 0.789 8.826 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -4.838 -0.541 8.152 1.00 0.00 H new ATOM 716 N HIS A 53 -2.142 -0.049 7.091 1.00 0.00 N ATOM 717 CA HIS A 53 -1.095 -0.235 6.072 1.00 0.00 C ATOM 718 C HIS A 53 -0.348 -1.567 6.253 1.00 0.00 C ATOM 719 O HIS A 53 0.396 -1.735 7.228 1.00 0.00 O ATOM 720 CB HIS A 53 -0.095 0.938 6.126 1.00 0.00 C ATOM 721 CG HIS A 53 0.667 1.168 4.836 1.00 0.00 C ATOM 722 ND1 HIS A 53 1.853 1.865 4.697 1.00 0.00 N ATOM 723 CD2 HIS A 53 0.279 0.814 3.568 1.00 0.00 C ATOM 724 CE1 HIS A 53 2.169 1.904 3.385 1.00 0.00 C ATOM 725 NE2 HIS A 53 1.219 1.297 2.663 1.00 0.00 N ATOM 0 H HIS A 53 -1.821 -0.215 8.045 1.00 0.00 H new ATOM 0 HA HIS A 53 -1.583 -0.259 5.098 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -0.635 1.849 6.383 1.00 0.00 H new ATOM 0 HB3 HIS A 53 0.619 0.754 6.929 1.00 0.00 H new ATOM 0 HD1 HIS A 53 2.396 2.279 5.455 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -0.609 0.253 3.315 1.00 0.00 H new ATOM 0 HE1 HIS A 53 3.059 2.359 2.977 1.00 0.00 H new ATOM 733 N LEU A 54 -0.480 -2.485 5.292 1.00 0.00 N ATOM 734 CA LEU A 54 0.282 -3.739 5.248 1.00 0.00 C ATOM 735 C LEU A 54 1.478 -3.563 4.300 1.00 0.00 C ATOM 736 O LEU A 54 1.297 -3.405 3.092 1.00 0.00 O ATOM 737 CB LEU A 54 -0.653 -4.891 4.807 1.00 0.00 C ATOM 738 CG LEU A 54 -0.311 -6.292 5.362 1.00 0.00 C ATOM 739 CD1 LEU A 54 1.167 -6.673 5.220 1.00 0.00 C ATOM 740 CD2 LEU A 54 -0.739 -6.418 6.829 1.00 0.00 C ATOM 0 H LEU A 54 -1.128 -2.378 4.511 1.00 0.00 H new ATOM 0 HA LEU A 54 0.672 -3.993 6.234 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -1.671 -4.642 5.108 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -0.646 -4.942 3.718 1.00 0.00 H new ATOM 0 HG LEU A 54 -0.876 -6.993 4.747 1.00 0.00 H new ATOM 0 HD11 LEU A 54 1.327 -7.669 5.632 1.00 0.00 H new ATOM 0 HD12 LEU A 54 1.444 -6.668 4.166 1.00 0.00 H new ATOM 0 HD13 LEU A 54 1.782 -5.953 5.761 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -0.488 -7.413 7.197 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -0.219 -5.668 7.425 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -1.815 -6.263 6.909 1.00 0.00 H new ATOM 751 N LYS A 55 2.701 -3.587 4.833 1.00 0.00 N ATOM 752 CA LYS A 55 3.932 -3.504 4.036 1.00 0.00 C ATOM 753 C LYS A 55 4.456 -4.915 3.709 1.00 0.00 C ATOM 754 O LYS A 55 5.121 -5.549 4.534 1.00 0.00 O ATOM 755 CB LYS A 55 5.021 -2.721 4.776 1.00 0.00 C ATOM 756 CG LYS A 55 4.844 -1.210 4.895 1.00 0.00 C ATOM 757 CD LYS A 55 3.826 -0.737 5.937 1.00 0.00 C ATOM 758 CE LYS A 55 4.067 -1.304 7.350 1.00 0.00 C ATOM 759 NZ LYS A 55 2.998 -0.907 8.302 1.00 0.00 N ATOM 0 H LYS A 55 2.869 -3.665 5.836 1.00 0.00 H new ATOM 0 HA LYS A 55 3.690 -2.980 3.112 1.00 0.00 H new ATOM 0 HB2 LYS A 55 5.104 -3.130 5.783 1.00 0.00 H new ATOM 0 HB3 LYS A 55 5.971 -2.910 4.275 1.00 0.00 H new ATOM 0 HG2 LYS A 55 5.811 -0.768 5.133 1.00 0.00 H new ATOM 0 HG3 LYS A 55 4.547 -0.820 3.921 1.00 0.00 H new ATOM 0 HD2 LYS A 55 3.849 0.352 5.985 1.00 0.00 H new ATOM 0 HD3 LYS A 55 2.826 -1.021 5.608 1.00 0.00 H new ATOM 0 HE2 LYS A 55 4.121 -2.391 7.299 1.00 0.00 H new ATOM 0 HE3 LYS A 55 5.030 -0.954 7.721 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 3.154 -1.378 9.216 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 3.018 0.124 8.436 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 2.072 -1.189 7.921 1.00 0.00 H new ATOM 769 N VAL A 56 4.197 -5.400 2.498 1.00 0.00 N ATOM 770 CA VAL A 56 4.557 -6.742 2.036 1.00 0.00 C ATOM 771 C VAL A 56 5.951 -6.735 1.424 1.00 0.00 C ATOM 772 O VAL A 56 6.194 -6.058 0.420 1.00 0.00 O ATOM 773 CB VAL A 56 3.546 -7.287 1.003 1.00 0.00 C ATOM 774 CG1 VAL A 56 3.882 -8.742 0.640 1.00 0.00 C ATOM 775 CG2 VAL A 56 2.103 -7.218 1.520 1.00 0.00 C ATOM 0 H VAL A 56 3.714 -4.853 1.785 1.00 0.00 H new ATOM 0 HA VAL A 56 4.539 -7.397 2.907 1.00 0.00 H new ATOM 0 HB VAL A 56 3.623 -6.656 0.118 1.00 0.00 H new ATOM 0 HG11 VAL A 56 3.160 -9.111 -0.089 1.00 0.00 H new ATOM 0 HG12 VAL A 56 4.884 -8.789 0.214 1.00 0.00 H new ATOM 0 HG13 VAL A 56 3.840 -9.360 1.537 1.00 0.00 H new ATOM 0 HG21 VAL A 56 1.426 -7.611 0.762 1.00 0.00 H new ATOM 0 HG22 VAL A 56 2.014 -7.812 2.430 1.00 0.00 H new ATOM 0 HG23 VAL A 56 1.843 -6.182 1.736 1.00 0.00 H new ATOM 785 N GLU A 57 6.848 -7.501 2.049 1.00 0.00 N ATOM 786 CA GLU A 57 8.226 -7.618 1.604 1.00 0.00 C ATOM 787 C GLU A 57 8.341 -8.422 0.290 1.00 0.00 C ATOM 788 O GLU A 57 8.121 -9.636 0.252 1.00 0.00 O ATOM 789 CB GLU A 57 9.091 -8.176 2.735 1.00 0.00 C ATOM 790 CG GLU A 57 10.532 -7.730 2.540 1.00 0.00 C ATOM 791 CD GLU A 57 11.441 -8.284 3.642 1.00 0.00 C ATOM 792 OE1 GLU A 57 11.441 -7.728 4.763 1.00 0.00 O ATOM 793 OE2 GLU A 57 12.169 -9.275 3.397 1.00 0.00 O ATOM 0 H GLU A 57 6.633 -8.055 2.878 1.00 0.00 H new ATOM 0 HA GLU A 57 8.606 -6.625 1.363 1.00 0.00 H new ATOM 0 HB2 GLU A 57 8.718 -7.827 3.698 1.00 0.00 H new ATOM 0 HB3 GLU A 57 9.035 -9.264 2.747 1.00 0.00 H new ATOM 0 HG2 GLU A 57 10.890 -8.066 1.567 1.00 0.00 H new ATOM 0 HG3 GLU A 57 10.581 -6.641 2.539 1.00 0.00 H new ATOM 894 N GLY A 65 2.239 -9.407 -4.533 1.00 0.00 N ATOM 895 CA GLY A 65 2.274 -8.471 -5.667 1.00 0.00 C ATOM 896 C GLY A 65 2.078 -9.159 -7.024 1.00 0.00 C ATOM 897 O GLY A 65 1.504 -8.567 -7.942 1.00 0.00 O ATOM 0 HA2 GLY A 65 1.497 -7.718 -5.533 1.00 0.00 H new ATOM 0 HA3 GLY A 65 3.229 -7.946 -5.667 1.00 0.00 H new ATOM 901 N ARG A 66 2.483 -10.432 -7.136 1.00 0.00 N ATOM 902 CA ARG A 66 2.149 -11.312 -8.268 1.00 0.00 C ATOM 903 C ARG A 66 0.639 -11.562 -8.359 1.00 0.00 C ATOM 904 O ARG A 66 0.055 -11.468 -9.436 1.00 0.00 O ATOM 905 CB ARG A 66 2.950 -12.619 -8.118 1.00 0.00 C ATOM 906 CG ARG A 66 2.750 -13.588 -9.293 1.00 0.00 C ATOM 907 CD ARG A 66 3.614 -14.846 -9.144 1.00 0.00 C ATOM 908 NE ARG A 66 5.050 -14.559 -9.330 1.00 0.00 N ATOM 909 CZ ARG A 66 6.071 -15.234 -8.806 1.00 0.00 C ATOM 910 NH1 ARG A 66 5.893 -16.255 -7.987 1.00 0.00 N ATOM 911 NH2 ARG A 66 7.307 -14.892 -9.108 1.00 0.00 N ATOM 0 H ARG A 66 3.062 -10.888 -6.431 1.00 0.00 H new ATOM 0 HA ARG A 66 2.426 -10.831 -9.206 1.00 0.00 H new ATOM 0 HB2 ARG A 66 4.010 -12.380 -8.028 1.00 0.00 H new ATOM 0 HB3 ARG A 66 2.656 -13.114 -7.193 1.00 0.00 H new ATOM 0 HG2 ARG A 66 1.700 -13.873 -9.355 1.00 0.00 H new ATOM 0 HG3 ARG A 66 2.999 -13.084 -10.227 1.00 0.00 H new ATOM 0 HD2 ARG A 66 3.456 -15.279 -8.156 1.00 0.00 H new ATOM 0 HD3 ARG A 66 3.296 -15.592 -9.873 1.00 0.00 H new ATOM 0 HE ARG A 66 5.284 -13.761 -9.921 1.00 0.00 H new ATOM 0 HH11 ARG A 66 4.949 -16.550 -7.737 1.00 0.00 H new ATOM 0 HH12 ARG A 66 6.700 -16.749 -7.605 1.00 0.00 H new ATOM 0 HH21 ARG A 66 7.480 -14.112 -9.742 1.00 0.00 H new ATOM 0 HH22 ARG A 66 8.091 -15.407 -8.708 1.00 0.00 H new ATOM 922 N SER A 67 -0.017 -11.815 -7.225 1.00 0.00 N ATOM 923 CA SER A 67 -1.459 -12.087 -7.122 1.00 0.00 C ATOM 924 C SER A 67 -2.294 -10.841 -7.449 1.00 0.00 C ATOM 925 O SER A 67 -3.346 -10.950 -8.074 1.00 0.00 O ATOM 926 CB SER A 67 -1.807 -12.589 -5.709 1.00 0.00 C ATOM 927 OG SER A 67 -0.871 -13.565 -5.259 1.00 0.00 O ATOM 0 H SER A 67 0.453 -11.838 -6.320 1.00 0.00 H new ATOM 0 HA SER A 67 -1.701 -12.859 -7.853 1.00 0.00 H new ATOM 0 HB2 SER A 67 -1.820 -11.748 -5.015 1.00 0.00 H new ATOM 0 HB3 SER A 67 -2.809 -13.017 -5.710 1.00 0.00 H new ATOM 0 HG SER A 67 -1.117 -13.864 -4.359 1.00 0.00 H new ATOM 932 N PHE A 68 -1.788 -9.647 -7.112 1.00 0.00 N ATOM 933 CA PHE A 68 -2.360 -8.352 -7.491 1.00 0.00 C ATOM 934 C PHE A 68 -2.012 -7.911 -8.927 1.00 0.00 C ATOM 935 O PHE A 68 -2.540 -6.899 -9.389 1.00 0.00 O ATOM 936 CB PHE A 68 -1.928 -7.295 -6.462 1.00 0.00 C ATOM 937 CG PHE A 68 -2.808 -7.293 -5.235 1.00 0.00 C ATOM 938 CD1 PHE A 68 -4.031 -6.605 -5.254 1.00 0.00 C ATOM 939 CD2 PHE A 68 -2.402 -7.968 -4.072 1.00 0.00 C ATOM 940 CE1 PHE A 68 -4.852 -6.593 -4.111 1.00 0.00 C ATOM 941 CE2 PHE A 68 -3.207 -7.944 -2.921 1.00 0.00 C ATOM 942 CZ PHE A 68 -4.439 -7.264 -2.949 1.00 0.00 C ATOM 0 H PHE A 68 -0.942 -9.555 -6.550 1.00 0.00 H new ATOM 0 HA PHE A 68 -3.445 -8.461 -7.487 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -0.896 -7.481 -6.165 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -1.953 -6.309 -6.926 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -4.343 -6.084 -6.147 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -1.467 -8.508 -4.063 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -5.796 -6.069 -4.128 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -2.883 -8.444 -2.020 1.00 0.00 H new ATOM 0 HZ PHE A 68 -5.070 -7.258 -2.072 1.00 0.00 H new ATOM 951 N GLN A 69 -1.134 -8.640 -9.620 1.00 0.00 N ATOM 952 CA GLN A 69 -0.654 -8.355 -10.981 1.00 0.00 C ATOM 953 C GLN A 69 0.063 -6.986 -11.042 1.00 0.00 C ATOM 954 O GLN A 69 -0.169 -6.202 -11.962 1.00 0.00 O ATOM 955 CB GLN A 69 -1.786 -8.468 -12.029 1.00 0.00 C ATOM 956 CG GLN A 69 -2.626 -9.757 -11.978 1.00 0.00 C ATOM 957 CD GLN A 69 -4.067 -9.467 -11.546 1.00 0.00 C ATOM 958 OE1 GLN A 69 -4.914 -9.065 -12.336 1.00 0.00 O ATOM 959 NE2 GLN A 69 -4.394 -9.612 -10.281 1.00 0.00 N ATOM 0 H GLN A 69 -0.717 -9.486 -9.232 1.00 0.00 H new ATOM 0 HA GLN A 69 0.080 -9.119 -11.238 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -2.455 -7.617 -11.905 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -1.345 -8.385 -13.022 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -2.627 -10.232 -12.959 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -2.171 -10.463 -11.283 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -3.702 -9.945 -9.610 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -5.340 -9.391 -9.970 1.00 0.00 H new ATOM 966 N VAL A 70 0.871 -6.653 -10.028 1.00 0.00 N ATOM 967 CA VAL A 70 1.483 -5.323 -9.844 1.00 0.00 C ATOM 968 C VAL A 70 2.293 -4.882 -11.078 1.00 0.00 C ATOM 969 O VAL A 70 3.201 -5.587 -11.531 1.00 0.00 O ATOM 970 CB VAL A 70 2.322 -5.293 -8.543 1.00 0.00 C ATOM 971 CG1 VAL A 70 3.260 -4.072 -8.456 1.00 0.00 C ATOM 972 CG2 VAL A 70 1.397 -5.272 -7.319 1.00 0.00 C ATOM 0 H VAL A 70 1.126 -7.313 -9.293 1.00 0.00 H new ATOM 0 HA VAL A 70 0.682 -4.592 -9.739 1.00 0.00 H new ATOM 0 HB VAL A 70 2.936 -6.193 -8.559 1.00 0.00 H new ATOM 0 HG11 VAL A 70 3.820 -4.109 -7.522 1.00 0.00 H new ATOM 0 HG12 VAL A 70 3.954 -4.086 -9.296 1.00 0.00 H new ATOM 0 HG13 VAL A 70 2.669 -3.156 -8.489 1.00 0.00 H new ATOM 0 HG21 VAL A 70 1.997 -5.251 -6.410 1.00 0.00 H new ATOM 0 HG22 VAL A 70 0.764 -4.385 -7.356 1.00 0.00 H new ATOM 0 HG23 VAL A 70 0.772 -6.165 -7.320 1.00 0.00 H new ATOM 982 N LYS A 71 1.946 -3.711 -11.623 1.00 0.00 N ATOM 983 CA LYS A 71 2.457 -3.189 -12.906 1.00 0.00 C ATOM 984 C LYS A 71 3.948 -2.787 -12.875 1.00 0.00 C ATOM 985 O LYS A 71 4.692 -3.105 -13.808 1.00 0.00 O ATOM 986 CB LYS A 71 1.606 -1.970 -13.316 1.00 0.00 C ATOM 987 CG LYS A 71 0.122 -2.242 -13.609 1.00 0.00 C ATOM 988 CD LYS A 71 -0.150 -3.105 -14.858 1.00 0.00 C ATOM 989 CE LYS A 71 -0.226 -4.605 -14.541 1.00 0.00 C ATOM 990 NZ LYS A 71 -0.497 -5.416 -15.754 1.00 0.00 N ATOM 0 H LYS A 71 1.283 -3.078 -11.175 1.00 0.00 H new ATOM 0 HA LYS A 71 2.379 -4.000 -13.631 1.00 0.00 H new ATOM 0 HB2 LYS A 71 1.667 -1.227 -12.521 1.00 0.00 H new ATOM 0 HB3 LYS A 71 2.054 -1.524 -14.204 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -0.319 -2.735 -12.743 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -0.390 -1.287 -13.728 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -1.087 -2.787 -15.316 1.00 0.00 H new ATOM 0 HD3 LYS A 71 0.638 -2.933 -15.591 1.00 0.00 H new ATOM 0 HE2 LYS A 71 0.712 -4.928 -14.091 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -1.010 -4.781 -13.805 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -0.540 -6.423 -15.496 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -1.405 -5.126 -16.170 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 0.264 -5.269 -16.447 1.00 0.00 H new ATOM 1000 N LEU A 72 4.358 -2.097 -11.804 1.00 0.00 N ATOM 1001 CA LEU A 72 5.729 -1.650 -11.556 1.00 0.00 C ATOM 1002 C LEU A 72 6.286 -2.417 -10.350 1.00 0.00 C ATOM 1003 O LEU A 72 6.355 -3.646 -10.377 1.00 0.00 O ATOM 1004 CB LEU A 72 5.706 -0.102 -11.420 1.00 0.00 C ATOM 1005 CG LEU A 72 7.083 0.595 -11.475 1.00 0.00 C ATOM 1006 CD1 LEU A 72 7.718 0.497 -12.874 1.00 0.00 C ATOM 1007 CD2 LEU A 72 6.916 2.072 -11.105 1.00 0.00 C ATOM 0 H LEU A 72 3.717 -1.825 -11.059 1.00 0.00 H new ATOM 0 HA LEU A 72 6.413 -1.872 -12.375 1.00 0.00 H new ATOM 0 HB2 LEU A 72 5.081 0.305 -12.215 1.00 0.00 H new ATOM 0 HB3 LEU A 72 5.227 0.154 -10.475 1.00 0.00 H new ATOM 0 HG LEU A 72 7.742 0.092 -10.767 1.00 0.00 H new ATOM 0 HD11 LEU A 72 8.685 0.999 -12.871 1.00 0.00 H new ATOM 0 HD12 LEU A 72 7.855 -0.551 -13.139 1.00 0.00 H new ATOM 0 HD13 LEU A 72 7.064 0.974 -13.605 1.00 0.00 H new ATOM 0 HD21 LEU A 72 7.886 2.568 -11.142 1.00 0.00 H new ATOM 0 HD22 LEU A 72 6.237 2.549 -11.811 1.00 0.00 H new ATOM 0 HD23 LEU A 72 6.507 2.151 -10.098 1.00 0.00 H new ATOM 1018 N TRP A 73 6.647 -1.716 -9.276 1.00 0.00 N ATOM 1019 CA TRP A 73 7.120 -2.300 -8.030 1.00 0.00 C ATOM 1020 C TRP A 73 6.812 -1.423 -6.797 1.00 0.00 C ATOM 1021 O TRP A 73 6.207 -1.972 -5.866 1.00 0.00 O ATOM 1022 CB TRP A 73 8.606 -2.616 -8.177 1.00 0.00 C ATOM 1023 CG TRP A 73 9.156 -3.538 -7.149 1.00 0.00 C ATOM 1024 CD1 TRP A 73 9.130 -4.889 -7.203 1.00 0.00 C ATOM 1025 CD2 TRP A 73 9.854 -3.198 -5.921 1.00 0.00 C ATOM 1026 NE1 TRP A 73 9.742 -5.406 -6.085 1.00 0.00 N ATOM 1027 CE2 TRP A 73 10.275 -4.407 -5.292 1.00 0.00 C ATOM 1028 CE3 TRP A 73 10.184 -1.984 -5.288 1.00 0.00 C ATOM 1029 CZ2 TRP A 73 11.056 -4.409 -4.128 1.00 0.00 C ATOM 1030 CZ3 TRP A 73 10.942 -1.972 -4.107 1.00 0.00 C ATOM 1031 CH2 TRP A 73 11.399 -3.178 -3.543 1.00 0.00 C ATOM 0 H TRP A 73 6.616 -0.697 -9.252 1.00 0.00 H new ATOM 0 HA TRP A 73 6.575 -3.225 -7.843 1.00 0.00 H new ATOM 0 HB2 TRP A 73 8.774 -3.052 -9.162 1.00 0.00 H new ATOM 0 HB3 TRP A 73 9.166 -1.682 -8.143 1.00 0.00 H new ATOM 0 HD1 TRP A 73 8.695 -5.472 -8.001 1.00 0.00 H new ATOM 0 HE1 TRP A 73 9.796 -6.401 -5.868 1.00 0.00 H new ATOM 0 HE3 TRP A 73 9.850 -1.051 -5.717 1.00 0.00 H new ATOM 0 HZ2 TRP A 73 11.388 -5.338 -3.689 1.00 0.00 H new ATOM 0 HZ3 TRP A 73 11.176 -1.033 -3.628 1.00 0.00 H new ATOM 0 HH2 TRP A 73 12.016 -3.157 -2.657 1.00 0.00 H new ATOM 1041 N PRO A 74 7.122 -0.098 -6.764 1.00 0.00 N ATOM 1042 CA PRO A 74 6.578 0.783 -5.747 1.00 0.00 C ATOM 1043 C PRO A 74 5.101 1.028 -6.070 1.00 0.00 C ATOM 1044 O PRO A 74 4.748 1.862 -6.905 1.00 0.00 O ATOM 1045 CB PRO A 74 7.408 2.066 -5.780 1.00 0.00 C ATOM 1046 CG PRO A 74 7.866 2.144 -7.232 1.00 0.00 C ATOM 1047 CD PRO A 74 8.016 0.673 -7.626 1.00 0.00 C ATOM 0 HA PRO A 74 6.628 0.361 -4.743 1.00 0.00 H new ATOM 0 HB2 PRO A 74 6.816 2.936 -5.497 1.00 0.00 H new ATOM 0 HB3 PRO A 74 8.253 2.017 -5.093 1.00 0.00 H new ATOM 0 HG2 PRO A 74 7.136 2.657 -7.858 1.00 0.00 H new ATOM 0 HG3 PRO A 74 8.807 2.686 -7.330 1.00 0.00 H new ATOM 0 HD2 PRO A 74 7.759 0.527 -8.675 1.00 0.00 H new ATOM 0 HD3 PRO A 74 9.048 0.345 -7.502 1.00 0.00 H new ATOM 1052 N THR A 75 4.238 0.216 -5.459 1.00 0.00 N ATOM 1053 CA THR A 75 2.813 0.116 -5.773 1.00 0.00 C ATOM 1054 C THR A 75 2.084 -0.263 -4.497 1.00 0.00 C ATOM 1055 O THR A 75 2.587 -1.048 -3.685 1.00 0.00 O ATOM 1056 CB THR A 75 2.574 -0.951 -6.856 1.00 0.00 C ATOM 1057 OG1 THR A 75 3.231 -0.555 -8.036 1.00 0.00 O ATOM 1058 CG2 THR A 75 1.092 -1.135 -7.199 1.00 0.00 C ATOM 0 H THR A 75 4.522 -0.411 -4.706 1.00 0.00 H new ATOM 0 HA THR A 75 2.445 1.068 -6.156 1.00 0.00 H new ATOM 0 HB THR A 75 2.954 -1.893 -6.461 1.00 0.00 H new ATOM 0 HG1 THR A 75 2.746 -0.903 -8.813 1.00 0.00 H new ATOM 0 HG21 THR A 75 0.989 -1.900 -7.968 1.00 0.00 H new ATOM 0 HG22 THR A 75 0.547 -1.442 -6.306 1.00 0.00 H new ATOM 0 HG23 THR A 75 0.684 -0.194 -7.567 1.00 0.00 H new ATOM 1066 N PHE A 76 0.891 0.296 -4.341 1.00 0.00 N ATOM 1067 CA PHE A 76 0.038 0.059 -3.189 1.00 0.00 C ATOM 1068 C PHE A 76 -1.437 0.034 -3.618 1.00 0.00 C ATOM 1069 O PHE A 76 -1.938 0.951 -4.272 1.00 0.00 O ATOM 1070 CB PHE A 76 0.355 1.070 -2.072 1.00 0.00 C ATOM 1071 CG PHE A 76 0.827 2.429 -2.516 1.00 0.00 C ATOM 1072 CD1 PHE A 76 2.180 2.635 -2.860 1.00 0.00 C ATOM 1073 CD2 PHE A 76 -0.093 3.478 -2.607 1.00 0.00 C ATOM 1074 CE1 PHE A 76 2.593 3.874 -3.368 1.00 0.00 C ATOM 1075 CE2 PHE A 76 0.343 4.730 -3.050 1.00 0.00 C ATOM 1076 CZ PHE A 76 1.667 4.921 -3.467 1.00 0.00 C ATOM 0 H PHE A 76 0.485 0.936 -5.023 1.00 0.00 H new ATOM 0 HA PHE A 76 0.242 -0.924 -2.765 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -0.541 1.201 -1.465 1.00 0.00 H new ATOM 0 HB3 PHE A 76 1.118 0.637 -1.425 1.00 0.00 H new ATOM 0 HD1 PHE A 76 2.897 1.838 -2.732 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -1.127 3.323 -2.338 1.00 0.00 H new ATOM 0 HE1 PHE A 76 3.616 4.021 -3.681 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -0.348 5.559 -3.071 1.00 0.00 H new ATOM 0 HZ PHE A 76 1.974 5.877 -3.865 1.00 0.00 H new ATOM 1085 N VAL A 77 -2.109 -1.061 -3.259 1.00 0.00 N ATOM 1086 CA VAL A 77 -3.483 -1.396 -3.645 1.00 0.00 C ATOM 1087 C VAL A 77 -4.408 -1.165 -2.447 1.00 0.00 C ATOM 1088 O VAL A 77 -4.207 -1.749 -1.378 1.00 0.00 O ATOM 1089 CB VAL A 77 -3.581 -2.842 -4.185 1.00 0.00 C ATOM 1090 CG1 VAL A 77 -5.012 -3.135 -4.647 1.00 0.00 C ATOM 1091 CG2 VAL A 77 -2.643 -3.060 -5.393 1.00 0.00 C ATOM 0 H VAL A 77 -1.690 -1.774 -2.662 1.00 0.00 H new ATOM 0 HA VAL A 77 -3.799 -0.746 -4.461 1.00 0.00 H new ATOM 0 HB VAL A 77 -3.290 -3.508 -3.373 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -5.070 -4.156 -5.025 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -5.696 -3.020 -3.807 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -5.289 -2.438 -5.438 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -2.738 -4.087 -5.747 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -2.916 -2.374 -6.194 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -1.612 -2.874 -5.092 1.00 0.00 H new ATOM 1101 N PHE A 78 -5.397 -0.283 -2.619 1.00 0.00 N ATOM 1102 CA PHE A 78 -6.365 0.094 -1.579 1.00 0.00 C ATOM 1103 C PHE A 78 -7.494 -0.943 -1.550 1.00 0.00 C ATOM 1104 O PHE A 78 -8.218 -1.112 -2.537 1.00 0.00 O ATOM 1105 CB PHE A 78 -6.918 1.516 -1.815 1.00 0.00 C ATOM 1106 CG PHE A 78 -5.907 2.654 -1.711 1.00 0.00 C ATOM 1107 CD1 PHE A 78 -4.988 2.849 -2.760 1.00 0.00 C ATOM 1108 CD2 PHE A 78 -5.843 3.494 -0.572 1.00 0.00 C ATOM 1109 CE1 PHE A 78 -3.994 3.832 -2.667 1.00 0.00 C ATOM 1110 CE2 PHE A 78 -4.863 4.508 -0.502 1.00 0.00 C ATOM 1111 CZ PHE A 78 -3.944 4.673 -1.552 1.00 0.00 C ATOM 0 H PHE A 78 -5.552 0.201 -3.504 1.00 0.00 H new ATOM 0 HA PHE A 78 -5.864 0.108 -0.611 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -7.370 1.548 -2.806 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -7.715 1.698 -1.095 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -5.050 2.234 -3.646 1.00 0.00 H new ATOM 0 HD2 PHE A 78 -6.542 3.359 0.240 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -3.266 3.940 -3.457 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -4.820 5.158 0.360 1.00 0.00 H new ATOM 0 HZ PHE A 78 -3.197 5.451 -1.497 1.00 0.00 H new ATOM 1120 N LEU A 79 -7.640 -1.647 -0.424 1.00 0.00 N ATOM 1121 CA LEU A 79 -8.721 -2.605 -0.179 1.00 0.00 C ATOM 1122 C LEU A 79 -9.735 -2.012 0.809 1.00 0.00 C ATOM 1123 O LEU A 79 -9.399 -1.207 1.677 1.00 0.00 O ATOM 1124 CB LEU A 79 -8.193 -3.948 0.373 1.00 0.00 C ATOM 1125 CG LEU A 79 -7.718 -4.922 -0.705 1.00 0.00 C ATOM 1126 CD1 LEU A 79 -6.539 -4.374 -1.495 1.00 0.00 C ATOM 1127 CD2 LEU A 79 -7.360 -6.267 -0.057 1.00 0.00 C ATOM 0 H LEU A 79 -6.994 -1.564 0.361 1.00 0.00 H new ATOM 0 HA LEU A 79 -9.202 -2.801 -1.137 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -7.368 -3.748 1.056 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -8.981 -4.424 0.956 1.00 0.00 H new ATOM 0 HG LEU A 79 -8.533 -5.064 -1.415 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -6.237 -5.101 -2.249 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -6.829 -3.444 -1.983 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -5.705 -4.184 -0.819 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -7.021 -6.962 -0.825 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -6.565 -6.119 0.674 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -8.239 -6.677 0.441 1.00 0.00 H new ATOM 1138 N ARG A 80 -10.972 -2.484 0.683 1.00 0.00 N ATOM 1139 CA ARG A 80 -12.102 -2.190 1.578 1.00 0.00 C ATOM 1140 C ARG A 80 -13.222 -3.196 1.294 1.00 0.00 C ATOM 1141 O ARG A 80 -13.460 -3.551 0.138 1.00 0.00 O ATOM 1142 CB ARG A 80 -12.563 -0.728 1.394 1.00 0.00 C ATOM 1143 CG ARG A 80 -13.337 -0.183 2.604 1.00 0.00 C ATOM 1144 CD ARG A 80 -13.571 1.328 2.461 1.00 0.00 C ATOM 1145 NE ARG A 80 -14.184 1.889 3.683 1.00 0.00 N ATOM 1146 CZ ARG A 80 -14.117 3.152 4.106 1.00 0.00 C ATOM 1147 NH1 ARG A 80 -13.485 4.092 3.440 1.00 0.00 N ATOM 1148 NH2 ARG A 80 -14.698 3.493 5.235 1.00 0.00 N ATOM 0 H ARG A 80 -11.232 -3.111 -0.078 1.00 0.00 H new ATOM 0 HA ARG A 80 -11.803 -2.293 2.621 1.00 0.00 H new ATOM 0 HB2 ARG A 80 -11.692 -0.098 1.214 1.00 0.00 H new ATOM 0 HB3 ARG A 80 -13.193 -0.661 0.507 1.00 0.00 H new ATOM 0 HG2 ARG A 80 -14.294 -0.698 2.692 1.00 0.00 H new ATOM 0 HG3 ARG A 80 -12.781 -0.385 3.519 1.00 0.00 H new ATOM 0 HD2 ARG A 80 -12.623 1.829 2.263 1.00 0.00 H new ATOM 0 HD3 ARG A 80 -14.218 1.520 1.605 1.00 0.00 H new ATOM 0 HE ARG A 80 -14.715 1.241 4.265 1.00 0.00 H new ATOM 0 HH11 ARG A 80 -13.019 3.869 2.560 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -13.460 5.045 3.803 1.00 0.00 H new ATOM 0 HH21 ARG A 80 -15.197 2.793 5.783 1.00 0.00 H new ATOM 0 HH22 ARG A 80 -14.649 4.458 5.563 1.00 0.00 H new ATOM 1159 N ASP A 81 -13.844 -3.725 2.341 1.00 0.00 N ATOM 1160 CA ASP A 81 -14.832 -4.824 2.282 1.00 0.00 C ATOM 1161 C ASP A 81 -14.231 -6.142 1.729 1.00 0.00 C ATOM 1162 O ASP A 81 -14.942 -6.983 1.180 1.00 0.00 O ATOM 1163 CB ASP A 81 -16.096 -4.359 1.520 1.00 0.00 C ATOM 1164 CG ASP A 81 -17.323 -5.250 1.786 1.00 0.00 C ATOM 1165 OD1 ASP A 81 -17.616 -5.561 2.966 1.00 0.00 O ATOM 1166 OD2 ASP A 81 -18.032 -5.597 0.813 1.00 0.00 O ATOM 0 H ASP A 81 -13.677 -3.398 3.292 1.00 0.00 H new ATOM 0 HA ASP A 81 -15.133 -5.068 3.301 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -16.330 -3.334 1.807 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -15.886 -4.350 0.451 1.00 0.00 H new ATOM 1170 N GLY A 82 -12.900 -6.292 1.828 1.00 0.00 N ATOM 1171 CA GLY A 82 -12.132 -7.447 1.336 1.00 0.00 C ATOM 1172 C GLY A 82 -11.746 -7.382 -0.144 1.00 0.00 C ATOM 1173 O GLY A 82 -10.966 -8.217 -0.603 1.00 0.00 O ATOM 0 H GLY A 82 -12.309 -5.587 2.268 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -11.223 -7.540 1.930 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -12.716 -8.352 1.505 1.00 0.00 H new ATOM 1177 N ARG A 83 -12.264 -6.395 -0.884 1.00 0.00 N ATOM 1178 CA ARG A 83 -12.077 -6.205 -2.321 1.00 0.00 C ATOM 1179 C ARG A 83 -11.184 -4.983 -2.577 1.00 0.00 C ATOM 1180 O ARG A 83 -11.173 -4.028 -1.799 1.00 0.00 O ATOM 1181 CB ARG A 83 -13.476 -6.053 -2.952 1.00 0.00 C ATOM 1182 CG ARG A 83 -13.462 -6.130 -4.488 1.00 0.00 C ATOM 1183 CD ARG A 83 -14.869 -6.044 -5.092 1.00 0.00 C ATOM 1184 NE ARG A 83 -15.688 -7.235 -4.782 1.00 0.00 N ATOM 1185 CZ ARG A 83 -16.981 -7.379 -5.047 1.00 0.00 C ATOM 1186 NH1 ARG A 83 -17.690 -6.426 -5.627 1.00 0.00 N ATOM 1187 NH2 ARG A 83 -17.590 -8.501 -4.737 1.00 0.00 N ATOM 0 H ARG A 83 -12.855 -5.672 -0.473 1.00 0.00 H new ATOM 0 HA ARG A 83 -11.572 -7.057 -2.775 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -14.130 -6.833 -2.562 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -13.903 -5.098 -2.647 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -12.850 -5.320 -4.884 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -12.993 -7.064 -4.798 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -15.370 -5.153 -4.714 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -14.791 -5.931 -6.173 1.00 0.00 H new ATOM 0 HE ARG A 83 -15.218 -8.016 -4.324 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -17.245 -5.545 -5.886 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -18.682 -6.571 -5.816 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -17.070 -9.258 -4.294 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -18.583 -8.615 -4.939 1.00 0.00 H new ATOM 1198 N GLU A 84 -10.435 -5.001 -3.672 1.00 0.00 N ATOM 1199 CA GLU A 84 -9.734 -3.815 -4.181 1.00 0.00 C ATOM 1200 C GLU A 84 -10.761 -2.733 -4.558 1.00 0.00 C ATOM 1201 O GLU A 84 -11.637 -2.968 -5.389 1.00 0.00 O ATOM 1202 CB GLU A 84 -8.831 -4.192 -5.370 1.00 0.00 C ATOM 1203 CG GLU A 84 -8.257 -2.975 -6.113 1.00 0.00 C ATOM 1204 CD GLU A 84 -7.274 -3.336 -7.243 1.00 0.00 C ATOM 1205 OE1 GLU A 84 -6.952 -4.529 -7.452 1.00 0.00 O ATOM 1206 OE2 GLU A 84 -6.814 -2.410 -7.950 1.00 0.00 O ATOM 0 H GLU A 84 -10.292 -5.837 -4.238 1.00 0.00 H new ATOM 0 HA GLU A 84 -9.086 -3.410 -3.403 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -8.008 -4.809 -5.010 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -9.402 -4.800 -6.072 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -9.080 -2.397 -6.533 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -7.749 -2.331 -5.395 1.00 0.00 H new ATOM 1211 N VAL A 85 -10.623 -1.538 -3.974 1.00 0.00 N ATOM 1212 CA VAL A 85 -11.395 -0.330 -4.325 1.00 0.00 C ATOM 1213 C VAL A 85 -10.628 0.601 -5.275 1.00 0.00 C ATOM 1214 O VAL A 85 -11.252 1.341 -6.032 1.00 0.00 O ATOM 1215 CB VAL A 85 -11.835 0.457 -3.067 1.00 0.00 C ATOM 1216 CG1 VAL A 85 -12.962 -0.289 -2.340 1.00 0.00 C ATOM 1217 CG2 VAL A 85 -10.699 0.737 -2.066 1.00 0.00 C ATOM 0 H VAL A 85 -9.953 -1.375 -3.222 1.00 0.00 H new ATOM 0 HA VAL A 85 -12.284 -0.687 -4.845 1.00 0.00 H new ATOM 0 HB VAL A 85 -12.177 1.424 -3.437 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -13.262 0.276 -1.457 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -13.816 -0.398 -3.008 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -12.610 -1.275 -2.038 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -11.093 1.292 -1.215 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -10.278 -0.207 -1.720 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -9.921 1.324 -2.554 1.00 0.00 H new ATOM 1227 N ALA A 86 -9.292 0.532 -5.258 1.00 0.00 N ATOM 1228 CA ALA A 86 -8.371 1.305 -6.097 1.00 0.00 C ATOM 1229 C ALA A 86 -6.931 0.801 -5.934 1.00 0.00 C ATOM 1230 O ALA A 86 -6.665 -0.065 -5.110 1.00 0.00 O ATOM 1231 CB ALA A 86 -8.435 2.784 -5.682 1.00 0.00 C ATOM 0 H ALA A 86 -8.799 -0.098 -4.625 1.00 0.00 H new ATOM 0 HA ALA A 86 -8.666 1.188 -7.140 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -7.752 3.366 -6.302 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -9.451 3.155 -5.814 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -8.147 2.881 -4.635 1.00 0.00 H new ATOM 1237 N ARG A 87 -6.003 1.441 -6.643 1.00 0.00 N ATOM 1238 CA ARG A 87 -4.569 1.340 -6.398 1.00 0.00 C ATOM 1239 C ARG A 87 -3.823 2.571 -6.916 1.00 0.00 C ATOM 1240 O ARG A 87 -4.298 3.256 -7.825 1.00 0.00 O ATOM 1241 CB ARG A 87 -4.014 0.038 -6.979 1.00 0.00 C ATOM 1242 CG ARG A 87 -4.083 -0.053 -8.505 1.00 0.00 C ATOM 1243 CD ARG A 87 -3.329 -1.299 -8.960 1.00 0.00 C ATOM 1244 NE ARG A 87 -4.115 -2.528 -8.763 1.00 0.00 N ATOM 1245 CZ ARG A 87 -3.708 -3.767 -9.017 1.00 0.00 C ATOM 1246 NH1 ARG A 87 -2.508 -4.033 -9.500 1.00 0.00 N ATOM 1247 NH2 ARG A 87 -4.505 -4.777 -8.766 1.00 0.00 N ATOM 0 H ARG A 87 -6.235 2.058 -7.421 1.00 0.00 H new ATOM 0 HA ARG A 87 -4.407 1.312 -5.320 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -2.975 -0.071 -6.667 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -4.565 -0.800 -6.552 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -5.121 -0.100 -8.833 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -3.646 0.838 -8.956 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -3.070 -1.200 -10.014 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -2.392 -1.376 -8.408 1.00 0.00 H new ATOM 0 HE ARG A 87 -5.061 -2.418 -8.397 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -1.855 -3.273 -9.692 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -2.234 -4.999 -9.681 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -5.433 -4.610 -8.377 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -4.197 -5.730 -8.959 1.00 0.00 H new ATOM 1258 N VAL A 88 -2.656 2.836 -6.341 1.00 0.00 N ATOM 1259 CA VAL A 88 -1.720 3.889 -6.772 1.00 0.00 C ATOM 1260 C VAL A 88 -0.353 3.239 -7.024 1.00 0.00 C ATOM 1261 O VAL A 88 0.046 2.328 -6.305 1.00 0.00 O ATOM 1262 CB VAL A 88 -1.622 4.993 -5.696 1.00 0.00 C ATOM 1263 CG1 VAL A 88 -0.529 6.044 -5.989 1.00 0.00 C ATOM 1264 CG2 VAL A 88 -2.935 5.751 -5.434 1.00 0.00 C ATOM 0 H VAL A 88 -2.316 2.312 -5.535 1.00 0.00 H new ATOM 0 HA VAL A 88 -2.075 4.360 -7.689 1.00 0.00 H new ATOM 0 HB VAL A 88 -1.362 4.422 -4.805 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -0.517 6.788 -5.193 1.00 0.00 H new ATOM 0 HG12 VAL A 88 0.443 5.553 -6.042 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -0.740 6.533 -6.940 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -2.772 6.506 -4.665 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -3.266 6.235 -6.353 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -3.699 5.050 -5.098 1.00 0.00 H new ATOM 1274 N VAL A 89 0.353 3.697 -8.059 1.00 0.00 N ATOM 1275 CA VAL A 89 1.671 3.190 -8.486 1.00 0.00 C ATOM 1276 C VAL A 89 2.561 4.374 -8.875 1.00 0.00 C ATOM 1277 O VAL A 89 2.106 5.298 -9.553 1.00 0.00 O ATOM 1278 CB VAL A 89 1.555 2.141 -9.622 1.00 0.00 C ATOM 1279 CG1 VAL A 89 0.575 2.528 -10.742 1.00 0.00 C ATOM 1280 CG2 VAL A 89 2.917 1.801 -10.240 1.00 0.00 C ATOM 0 H VAL A 89 0.016 4.458 -8.648 1.00 0.00 H new ATOM 0 HA VAL A 89 2.134 2.663 -7.652 1.00 0.00 H new ATOM 0 HB VAL A 89 1.149 1.260 -9.125 1.00 0.00 H new ATOM 0 HG11 VAL A 89 0.554 1.741 -11.495 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -0.423 2.657 -10.324 1.00 0.00 H new ATOM 0 HG13 VAL A 89 0.899 3.462 -11.202 1.00 0.00 H new ATOM 0 HG21 VAL A 89 2.784 1.062 -11.031 1.00 0.00 H new ATOM 0 HG22 VAL A 89 3.362 2.704 -10.658 1.00 0.00 H new ATOM 0 HG23 VAL A 89 3.574 1.395 -9.471 1.00 0.00 H new ATOM 1290 N ARG A 90 3.820 4.338 -8.426 1.00 0.00 N ATOM 1291 CA ARG A 90 4.857 5.343 -8.695 1.00 0.00 C ATOM 1292 C ARG A 90 4.400 6.769 -8.270 1.00 0.00 C ATOM 1293 O ARG A 90 4.155 7.608 -9.141 1.00 0.00 O ATOM 1294 CB ARG A 90 5.300 5.267 -10.171 1.00 0.00 C ATOM 1295 CG ARG A 90 6.697 5.888 -10.336 1.00 0.00 C ATOM 1296 CD ARG A 90 7.178 5.829 -11.792 1.00 0.00 C ATOM 1297 NE ARG A 90 8.605 6.196 -11.876 1.00 0.00 N ATOM 1298 CZ ARG A 90 9.116 7.393 -12.133 1.00 0.00 C ATOM 1299 NH1 ARG A 90 8.355 8.443 -12.378 1.00 0.00 N ATOM 1300 NH2 ARG A 90 10.419 7.553 -12.133 1.00 0.00 N ATOM 0 H ARG A 90 4.160 3.575 -7.840 1.00 0.00 H new ATOM 0 HA ARG A 90 5.730 5.119 -8.082 1.00 0.00 H new ATOM 0 HB2 ARG A 90 5.314 4.228 -10.502 1.00 0.00 H new ATOM 0 HB3 ARG A 90 4.583 5.793 -10.802 1.00 0.00 H new ATOM 0 HG2 ARG A 90 6.675 6.925 -10.002 1.00 0.00 H new ATOM 0 HG3 ARG A 90 7.406 5.362 -9.697 1.00 0.00 H new ATOM 0 HD2 ARG A 90 7.030 4.825 -12.191 1.00 0.00 H new ATOM 0 HD3 ARG A 90 6.585 6.507 -12.406 1.00 0.00 H new ATOM 0 HE ARG A 90 9.275 5.443 -11.718 1.00 0.00 H new ATOM 0 HH11 ARG A 90 7.339 8.349 -12.374 1.00 0.00 H new ATOM 0 HH12 ARG A 90 8.782 9.349 -12.572 1.00 0.00 H new ATOM 0 HH21 ARG A 90 11.030 6.760 -11.936 1.00 0.00 H new ATOM 0 HH22 ARG A 90 10.820 8.470 -12.330 1.00 0.00 H new ATOM 1311 N PRO A 91 4.227 7.054 -6.956 1.00 0.00 N ATOM 1312 CA PRO A 91 3.658 8.312 -6.463 1.00 0.00 C ATOM 1313 C PRO A 91 4.524 9.515 -6.881 1.00 0.00 C ATOM 1314 O PRO A 91 5.719 9.561 -6.584 1.00 0.00 O ATOM 1315 CB PRO A 91 3.569 8.165 -4.945 1.00 0.00 C ATOM 1316 CG PRO A 91 4.625 7.111 -4.604 1.00 0.00 C ATOM 1317 CD PRO A 91 4.583 6.197 -5.834 1.00 0.00 C ATOM 0 HA PRO A 91 2.673 8.503 -6.889 1.00 0.00 H new ATOM 0 HB2 PRO A 91 3.773 9.110 -4.441 1.00 0.00 H new ATOM 0 HB3 PRO A 91 2.574 7.846 -4.634 1.00 0.00 H new ATOM 0 HG2 PRO A 91 5.610 7.554 -4.460 1.00 0.00 H new ATOM 0 HG3 PRO A 91 4.381 6.572 -3.688 1.00 0.00 H new ATOM 0 HD2 PRO A 91 5.549 5.719 -5.999 1.00 0.00 H new ATOM 0 HD3 PRO A 91 3.851 5.400 -5.704 1.00 0.00 H new ATOM 1322 N GLY A 92 3.914 10.490 -7.569 1.00 0.00 N ATOM 1323 CA GLY A 92 4.631 11.641 -8.141 1.00 0.00 C ATOM 1324 C GLY A 92 4.898 12.760 -7.136 1.00 0.00 C ATOM 1325 O GLY A 92 5.901 13.460 -7.251 1.00 0.00 O ATOM 0 H GLY A 92 2.909 10.504 -7.745 1.00 0.00 H new ATOM 0 HA2 GLY A 92 5.581 11.299 -8.551 1.00 0.00 H new ATOM 0 HA3 GLY A 92 4.051 12.042 -8.972 1.00 0.00 H new ATOM 1329 N SER A 93 4.011 12.913 -6.155 1.00 0.00 N ATOM 1330 CA SER A 93 4.059 13.874 -5.049 1.00 0.00 C ATOM 1331 C SER A 93 2.904 13.602 -4.068 1.00 0.00 C ATOM 1332 O SER A 93 1.926 12.939 -4.430 1.00 0.00 O ATOM 1333 CB SER A 93 3.997 15.328 -5.545 1.00 0.00 C ATOM 1334 OG SER A 93 4.308 16.234 -4.490 1.00 0.00 O ATOM 0 H SER A 93 3.178 12.327 -6.107 1.00 0.00 H new ATOM 0 HA SER A 93 5.013 13.742 -4.539 1.00 0.00 H new ATOM 0 HB2 SER A 93 4.698 15.467 -6.368 1.00 0.00 H new ATOM 0 HB3 SER A 93 3.002 15.543 -5.934 1.00 0.00 H new ATOM 0 HG SER A 93 4.265 17.154 -4.825 1.00 0.00 H new ATOM 1339 N ALA A 94 2.980 14.138 -2.846 1.00 0.00 N ATOM 1340 CA ALA A 94 1.957 13.983 -1.818 1.00 0.00 C ATOM 1341 C ALA A 94 0.578 14.436 -2.300 1.00 0.00 C ATOM 1342 O ALA A 94 -0.406 13.793 -1.972 1.00 0.00 O ATOM 1343 CB ALA A 94 2.415 14.761 -0.581 1.00 0.00 C ATOM 0 H ALA A 94 3.773 14.703 -2.542 1.00 0.00 H new ATOM 0 HA ALA A 94 1.842 12.927 -1.572 1.00 0.00 H new ATOM 0 HB1 ALA A 94 1.668 14.664 0.207 1.00 0.00 H new ATOM 0 HB2 ALA A 94 3.366 14.361 -0.231 1.00 0.00 H new ATOM 0 HB3 ALA A 94 2.537 15.813 -0.838 1.00 0.00 H new ATOM 1349 N SER A 95 0.483 15.457 -3.157 1.00 0.00 N ATOM 1350 CA SER A 95 -0.778 15.871 -3.782 1.00 0.00 C ATOM 1351 C SER A 95 -1.496 14.725 -4.525 1.00 0.00 C ATOM 1352 O SER A 95 -2.716 14.594 -4.423 1.00 0.00 O ATOM 1353 CB SER A 95 -0.512 17.030 -4.745 1.00 0.00 C ATOM 1354 OG SER A 95 0.499 16.697 -5.690 1.00 0.00 O ATOM 0 H SER A 95 1.283 16.023 -3.439 1.00 0.00 H new ATOM 0 HA SER A 95 -1.444 16.185 -2.979 1.00 0.00 H new ATOM 0 HB2 SER A 95 -1.432 17.288 -5.270 1.00 0.00 H new ATOM 0 HB3 SER A 95 -0.209 17.912 -4.181 1.00 0.00 H new ATOM 0 HG SER A 95 0.646 17.456 -6.293 1.00 0.00 H new ATOM 1359 N VAL A 96 -0.755 13.859 -5.216 1.00 0.00 N ATOM 1360 CA VAL A 96 -1.279 12.722 -6.001 1.00 0.00 C ATOM 1361 C VAL A 96 -1.655 11.557 -5.079 1.00 0.00 C ATOM 1362 O VAL A 96 -2.701 10.930 -5.263 1.00 0.00 O ATOM 1363 CB VAL A 96 -0.238 12.244 -7.041 1.00 0.00 C ATOM 1364 CG1 VAL A 96 -0.809 11.137 -7.940 1.00 0.00 C ATOM 1365 CG2 VAL A 96 0.262 13.389 -7.942 1.00 0.00 C ATOM 0 H VAL A 96 0.262 13.925 -5.251 1.00 0.00 H new ATOM 0 HA VAL A 96 -2.171 13.064 -6.526 1.00 0.00 H new ATOM 0 HB VAL A 96 0.600 11.858 -6.461 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -0.051 10.825 -8.659 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -1.101 10.284 -7.327 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -1.681 11.515 -8.474 1.00 0.00 H new ATOM 0 HG21 VAL A 96 0.990 13.000 -8.654 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -0.580 13.820 -8.483 1.00 0.00 H new ATOM 0 HG23 VAL A 96 0.730 14.158 -7.327 1.00 0.00 H new ATOM 1375 N LEU A 97 -0.829 11.295 -4.062 1.00 0.00 N ATOM 1376 CA LEU A 97 -1.073 10.234 -3.085 1.00 0.00 C ATOM 1377 C LEU A 97 -2.252 10.580 -2.156 1.00 0.00 C ATOM 1378 O LEU A 97 -3.185 9.792 -2.045 1.00 0.00 O ATOM 1379 CB LEU A 97 0.233 9.939 -2.311 1.00 0.00 C ATOM 1380 CG LEU A 97 0.596 8.440 -2.350 1.00 0.00 C ATOM 1381 CD1 LEU A 97 1.929 8.179 -1.655 1.00 0.00 C ATOM 1382 CD2 LEU A 97 -0.539 7.646 -1.704 1.00 0.00 C ATOM 0 H LEU A 97 0.031 11.816 -3.894 1.00 0.00 H new ATOM 0 HA LEU A 97 -1.368 9.324 -3.607 1.00 0.00 H new ATOM 0 HB2 LEU A 97 1.049 10.522 -2.739 1.00 0.00 H new ATOM 0 HB3 LEU A 97 0.122 10.259 -1.275 1.00 0.00 H new ATOM 0 HG LEU A 97 0.715 8.118 -3.385 1.00 0.00 H new ATOM 0 HD11 LEU A 97 2.159 7.114 -1.698 1.00 0.00 H new ATOM 0 HD12 LEU A 97 2.717 8.741 -2.156 1.00 0.00 H new ATOM 0 HD13 LEU A 97 1.864 8.495 -0.614 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -0.297 6.583 -1.724 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -0.667 7.970 -0.671 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -1.463 7.818 -2.256 1.00 0.00 H new ATOM 1393 N GLU A 98 -2.259 11.776 -1.564 1.00 0.00 N ATOM 1394 CA GLU A 98 -3.369 12.302 -0.763 1.00 0.00 C ATOM 1395 C GLU A 98 -4.693 12.309 -1.545 1.00 0.00 C ATOM 1396 O GLU A 98 -5.712 11.894 -0.992 1.00 0.00 O ATOM 1397 CB GLU A 98 -3.078 13.720 -0.251 1.00 0.00 C ATOM 1398 CG GLU A 98 -1.971 13.807 0.804 1.00 0.00 C ATOM 1399 CD GLU A 98 -1.808 15.250 1.306 1.00 0.00 C ATOM 1400 OE1 GLU A 98 -2.535 15.652 2.247 1.00 0.00 O ATOM 1401 OE2 GLU A 98 -0.957 15.996 0.763 1.00 0.00 O ATOM 0 H GLU A 98 -1.473 12.423 -1.629 1.00 0.00 H new ATOM 0 HA GLU A 98 -3.470 11.630 0.089 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -2.803 14.348 -1.098 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -3.994 14.135 0.169 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -2.208 13.150 1.641 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -1.030 13.456 0.380 1.00 0.00 H new ATOM 1406 N GLU A 99 -4.692 12.719 -2.820 1.00 0.00 N ATOM 1407 CA GLU A 99 -5.880 12.716 -3.692 1.00 0.00 C ATOM 1408 C GLU A 99 -6.534 11.329 -3.801 1.00 0.00 C ATOM 1409 O GLU A 99 -7.763 11.209 -3.823 1.00 0.00 O ATOM 1410 CB GLU A 99 -5.492 13.227 -5.089 1.00 0.00 C ATOM 1411 CG GLU A 99 -6.580 13.028 -6.151 1.00 0.00 C ATOM 1412 CD GLU A 99 -6.337 13.906 -7.386 1.00 0.00 C ATOM 1413 OE1 GLU A 99 -6.780 15.082 -7.403 1.00 0.00 O ATOM 1414 OE2 GLU A 99 -5.708 13.432 -8.357 1.00 0.00 O ATOM 0 H GLU A 99 -3.854 13.068 -3.285 1.00 0.00 H new ATOM 0 HA GLU A 99 -6.618 13.378 -3.240 1.00 0.00 H new ATOM 0 HB2 GLU A 99 -5.253 14.288 -5.023 1.00 0.00 H new ATOM 0 HB3 GLU A 99 -4.585 12.716 -5.413 1.00 0.00 H new ATOM 0 HG2 GLU A 99 -6.609 11.980 -6.450 1.00 0.00 H new ATOM 0 HG3 GLU A 99 -7.554 13.265 -5.723 1.00 0.00 H new ATOM 1419 N ALA A 100 -5.733 10.268 -3.848 1.00 0.00 N ATOM 1420 CA ALA A 100 -6.255 8.907 -3.801 1.00 0.00 C ATOM 1421 C ALA A 100 -6.696 8.510 -2.384 1.00 0.00 C ATOM 1422 O ALA A 100 -7.737 7.878 -2.216 1.00 0.00 O ATOM 1423 CB ALA A 100 -5.191 7.969 -4.357 1.00 0.00 C ATOM 0 H ALA A 100 -4.717 10.326 -3.919 1.00 0.00 H new ATOM 0 HA ALA A 100 -7.153 8.838 -4.414 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -5.560 6.944 -4.331 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -4.963 8.247 -5.386 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -4.287 8.044 -3.752 1.00 0.00 H new ATOM 1429 N PHE A 101 -5.975 8.920 -1.342 1.00 0.00 N ATOM 1430 CA PHE A 101 -6.318 8.569 0.033 1.00 0.00 C ATOM 1431 C PHE A 101 -7.691 9.128 0.426 1.00 0.00 C ATOM 1432 O PHE A 101 -8.554 8.367 0.855 1.00 0.00 O ATOM 1433 CB PHE A 101 -5.228 9.038 0.992 1.00 0.00 C ATOM 1434 CG PHE A 101 -4.238 7.953 1.374 1.00 0.00 C ATOM 1435 CD1 PHE A 101 -3.308 7.443 0.444 1.00 0.00 C ATOM 1436 CD2 PHE A 101 -4.256 7.448 2.688 1.00 0.00 C ATOM 1437 CE1 PHE A 101 -2.377 6.484 0.853 1.00 0.00 C ATOM 1438 CE2 PHE A 101 -3.325 6.474 3.090 1.00 0.00 C ATOM 1439 CZ PHE A 101 -2.377 6.006 2.164 1.00 0.00 C ATOM 0 H PHE A 101 -5.141 9.502 -1.427 1.00 0.00 H new ATOM 0 HA PHE A 101 -6.382 7.483 0.101 1.00 0.00 H new ATOM 0 HB2 PHE A 101 -4.686 9.866 0.534 1.00 0.00 H new ATOM 0 HB3 PHE A 101 -5.696 9.425 1.897 1.00 0.00 H new ATOM 0 HD1 PHE A 101 -3.315 7.792 -0.578 1.00 0.00 H new ATOM 0 HD2 PHE A 101 -4.990 7.811 3.392 1.00 0.00 H new ATOM 0 HE1 PHE A 101 -1.650 6.109 0.147 1.00 0.00 H new ATOM 0 HE2 PHE A 101 -3.338 6.090 4.099 1.00 0.00 H new ATOM 0 HZ PHE A 101 -1.645 5.273 2.469 1.00 0.00 H new ATOM 1448 N GLU A 102 -7.930 10.422 0.204 1.00 0.00 N ATOM 1449 CA GLU A 102 -9.233 11.054 0.458 1.00 0.00 C ATOM 1450 C GLU A 102 -10.356 10.425 -0.376 1.00 0.00 C ATOM 1451 O GLU A 102 -11.490 10.296 0.090 1.00 0.00 O ATOM 1452 CB GLU A 102 -9.223 12.578 0.255 1.00 0.00 C ATOM 1453 CG GLU A 102 -8.589 13.112 -1.025 1.00 0.00 C ATOM 1454 CD GLU A 102 -9.382 14.288 -1.622 1.00 0.00 C ATOM 1455 OE1 GLU A 102 -10.316 14.061 -2.426 1.00 0.00 O ATOM 1456 OE2 GLU A 102 -9.079 15.460 -1.284 1.00 0.00 O ATOM 0 H GLU A 102 -7.226 11.065 -0.158 1.00 0.00 H new ATOM 0 HA GLU A 102 -9.433 10.866 1.513 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -10.254 12.929 0.292 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -8.703 13.027 1.101 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -7.569 13.433 -0.816 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -8.526 12.309 -1.759 1.00 0.00 H new ATOM 1461 N SER A 103 -10.034 9.964 -1.582 1.00 0.00 N ATOM 1462 CA SER A 103 -10.978 9.298 -2.480 1.00 0.00 C ATOM 1463 C SER A 103 -11.378 7.887 -2.018 1.00 0.00 C ATOM 1464 O SER A 103 -12.476 7.436 -2.334 1.00 0.00 O ATOM 1465 CB SER A 103 -10.375 9.254 -3.887 1.00 0.00 C ATOM 1466 OG SER A 103 -10.347 10.536 -4.493 1.00 0.00 O ATOM 0 H SER A 103 -9.094 10.043 -1.971 1.00 0.00 H new ATOM 0 HA SER A 103 -11.900 9.880 -2.475 1.00 0.00 H new ATOM 0 HB2 SER A 103 -9.362 8.855 -3.835 1.00 0.00 H new ATOM 0 HB3 SER A 103 -10.955 8.572 -4.509 1.00 0.00 H new ATOM 0 HG SER A 103 -9.468 10.946 -4.350 1.00 0.00 H new ATOM 1471 N LEU A 104 -10.519 7.180 -1.260 1.00 0.00 N ATOM 1472 CA LEU A 104 -10.770 5.805 -0.787 1.00 0.00 C ATOM 1473 C LEU A 104 -11.127 5.726 0.698 1.00 0.00 C ATOM 1474 O LEU A 104 -11.824 4.796 1.110 1.00 0.00 O ATOM 1475 CB LEU A 104 -9.561 4.907 -1.121 1.00 0.00 C ATOM 1476 CG LEU A 104 -9.457 4.442 -2.592 1.00 0.00 C ATOM 1477 CD1 LEU A 104 -10.814 3.990 -3.152 1.00 0.00 C ATOM 1478 CD2 LEU A 104 -8.842 5.472 -3.545 1.00 0.00 C ATOM 0 H LEU A 104 -9.620 7.552 -0.955 1.00 0.00 H new ATOM 0 HA LEU A 104 -11.650 5.441 -1.317 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -8.649 5.446 -0.864 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -9.600 4.025 -0.482 1.00 0.00 H new ATOM 0 HG LEU A 104 -8.772 3.595 -2.548 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -10.693 3.672 -4.188 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -11.193 3.158 -2.559 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -11.520 4.819 -3.107 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -8.809 5.060 -4.554 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -9.449 6.378 -3.543 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -7.830 5.712 -3.218 1.00 0.00 H new ATOM 1489 N VAL A 105 -10.698 6.699 1.496 1.00 0.00 N ATOM 1490 CA VAL A 105 -11.120 6.866 2.892 1.00 0.00 C ATOM 1491 C VAL A 105 -12.588 7.334 2.975 1.00 0.00 C ATOM 1492 O VAL A 105 -13.260 7.053 3.964 1.00 0.00 O ATOM 1493 CB VAL A 105 -10.170 7.845 3.633 1.00 0.00 C ATOM 1494 CG1 VAL A 105 -10.595 9.311 3.488 1.00 0.00 C ATOM 1495 CG2 VAL A 105 -10.072 7.496 5.119 1.00 0.00 C ATOM 0 H VAL A 105 -10.034 7.410 1.189 1.00 0.00 H new ATOM 0 HA VAL A 105 -11.059 5.897 3.388 1.00 0.00 H new ATOM 0 HB VAL A 105 -9.194 7.730 3.161 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -9.894 9.948 4.027 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -10.599 9.586 2.433 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -11.595 9.442 3.901 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -9.400 8.197 5.614 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -11.061 7.558 5.573 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -9.685 6.483 5.230 1.00 0.00 H new ATOM 1505 N GLY A 106 -13.081 8.016 1.924 1.00 0.00 N ATOM 1506 CA GLY A 106 -14.444 8.560 1.824 1.00 0.00 C ATOM 1507 C GLY A 106 -14.567 10.040 2.207 1.00 0.00 C ATOM 1508 O GLY A 106 -15.665 10.495 2.516 1.00 0.00 O ATOM 0 H GLY A 106 -12.520 8.209 1.094 1.00 0.00 H new ATOM 0 HA2 GLY A 106 -14.799 8.432 0.801 1.00 0.00 H new ATOM 0 HA3 GLY A 106 -15.103 7.975 2.466 1.00 0.00 H new ATOM 1512 N GLU A 107 -13.464 10.794 2.198 1.00 0.00 N ATOM 1513 CA GLU A 107 -13.424 12.227 2.537 1.00 0.00 C ATOM 1514 C GLU A 107 -13.701 13.144 1.330 1.00 0.00 C ATOM 1515 O GLU A 107 -14.096 14.296 1.527 1.00 0.00 O ATOM 1516 CB GLU A 107 -12.069 12.567 3.187 1.00 0.00 C ATOM 1517 CG GLU A 107 -12.065 12.318 4.699 1.00 0.00 C ATOM 1518 CD GLU A 107 -12.878 13.380 5.457 1.00 0.00 C ATOM 1519 OE1 GLU A 107 -12.376 14.514 5.627 1.00 0.00 O ATOM 1520 OE2 GLU A 107 -14.021 13.094 5.887 1.00 0.00 O ATOM 0 H GLU A 107 -12.549 10.419 1.949 1.00 0.00 H new ATOM 0 HA GLU A 107 -14.230 12.415 3.246 1.00 0.00 H new ATOM 0 HB2 GLU A 107 -11.286 11.969 2.721 1.00 0.00 H new ATOM 0 HB3 GLU A 107 -11.829 13.612 2.993 1.00 0.00 H new ATOM 0 HG2 GLU A 107 -12.477 11.330 4.905 1.00 0.00 H new ATOM 0 HG3 GLU A 107 -11.038 12.318 5.064 1.00 0.00 H new ATOM 1525 N GLY A 108 -13.522 12.652 0.096 1.00 0.00 N ATOM 1526 CA GLY A 108 -13.849 13.376 -1.143 1.00 0.00 C ATOM 1527 C GLY A 108 -14.302 12.469 -2.282 1.00 0.00 C ATOM 1528 O GLY A 108 -13.757 11.388 -2.479 1.00 0.00 O ATOM 0 H GLY A 108 -13.139 11.722 -0.073 1.00 0.00 H new ATOM 0 HA2 GLY A 108 -14.635 14.101 -0.933 1.00 0.00 H new ATOM 0 HA3 GLY A 108 -12.974 13.940 -1.466 1.00 0.00 H new