USER MOD reduce.3.24.130724 H: found=0, std=0, add=637, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 639 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 32 SER OG : rot -92:sc= 0.44 USER MOD Set 1.2: A 80 SER OG : rot -145:sc= 0.214 USER MOD Set 2.1: A 21 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 24 THR OG1 : rot 180:sc= -0.0343 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 HIS : no HE2:sc= -0.835 X(o=-0.83,f=-1.2) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 GLN : amide:sc= -0.399 K(o=-0.4,f=-7.8!) USER MOD Single : A 36 THR OG1 : rot -17:sc= 0.184 USER MOD Single : A 37 HIS : no HD1:sc= -5.9! C(o=-5.9!,f=-9.4!) USER MOD Single : A 38 TYR OH : rot 150:sc= 0 USER MOD Single : A 42 CYS SG : rot -170:sc= -3.73! USER MOD Single : A 43 SER OG : rot 180:sc= -0.943 USER MOD Single : A 57 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 74 TYR OH : rot 150:sc= 0.00673 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 79 GLN : amide:sc= -5.08! K(o=-5.1!,f=-2.2) USER MOD Single : A 87 SER OG : rot 130:sc= 0.776 USER MOD Single : A 96 THR OG1 : rot -76:sc= 0.941 USER MOD Single : A 98 THR OG1 : rot 42:sc= 0.451 USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 80 N LEU A 9 6.152 -17.370 -1.193 1.00 0.00 N ATOM 81 CA LEU A 9 6.089 -15.919 -1.333 1.00 0.00 C ATOM 82 C LEU A 9 5.210 -15.305 -0.247 1.00 0.00 C ATOM 83 O LEU A 9 4.027 -15.032 -0.453 1.00 0.00 O ATOM 84 CB LEU A 9 5.550 -15.543 -2.714 1.00 0.00 C ATOM 85 CG LEU A 9 5.935 -14.156 -3.230 1.00 0.00 C ATOM 86 CD1 LEU A 9 7.447 -14.014 -3.302 1.00 0.00 C ATOM 87 CD2 LEU A 9 5.308 -13.901 -4.593 1.00 0.00 C ATOM 0 HA LEU A 9 7.099 -15.524 -1.224 1.00 0.00 H new ATOM 0 HB2 LEU A 9 5.898 -16.285 -3.432 1.00 0.00 H new ATOM 0 HB3 LEU A 9 4.462 -15.610 -2.688 1.00 0.00 H new ATOM 0 HG LEU A 9 5.554 -13.411 -2.532 1.00 0.00 H new ATOM 0 HD11 LEU A 9 7.702 -13.021 -3.671 1.00 0.00 H new ATOM 0 HD12 LEU A 9 7.873 -14.152 -2.308 1.00 0.00 H new ATOM 0 HD13 LEU A 9 7.851 -14.767 -3.978 1.00 0.00 H new ATOM 0 HD21 LEU A 9 5.593 -12.909 -4.945 1.00 0.00 H new ATOM 0 HD22 LEU A 9 5.659 -14.652 -5.301 1.00 0.00 H new ATOM 0 HD23 LEU A 9 4.223 -13.959 -4.511 1.00 0.00 H new ATOM 99 N PRO A 10 5.801 -15.081 0.936 1.00 0.00 N ATOM 100 CA PRO A 10 5.091 -14.495 2.076 1.00 0.00 C ATOM 101 C PRO A 10 4.754 -13.024 1.855 1.00 0.00 C ATOM 102 O PRO A 10 5.588 -12.230 1.419 1.00 0.00 O ATOM 103 CB PRO A 10 6.085 -14.648 3.230 1.00 0.00 C ATOM 104 CG PRO A 10 7.422 -14.700 2.574 1.00 0.00 C ATOM 105 CD PRO A 10 7.207 -15.383 1.251 1.00 0.00 C ATOM 0 HA PRO A 10 4.133 -14.983 2.253 1.00 0.00 H new ATOM 0 HB2 PRO A 10 6.017 -13.811 3.925 1.00 0.00 H new ATOM 0 HB3 PRO A 10 5.890 -15.554 3.803 1.00 0.00 H new ATOM 0 HG2 PRO A 10 7.828 -13.698 2.435 1.00 0.00 H new ATOM 0 HG3 PRO A 10 8.136 -15.251 3.186 1.00 0.00 H new ATOM 0 HD2 PRO A 10 7.882 -14.999 0.486 1.00 0.00 H new ATOM 0 HD3 PRO A 10 7.382 -16.457 1.320 1.00 0.00 H new ATOM 113 N PRO A 11 3.503 -12.650 2.163 1.00 0.00 N ATOM 114 CA PRO A 11 3.028 -11.272 2.007 1.00 0.00 C ATOM 115 C PRO A 11 3.665 -10.322 3.015 1.00 0.00 C ATOM 116 O PRO A 11 4.340 -10.738 3.957 1.00 0.00 O ATOM 117 CB PRO A 11 1.522 -11.386 2.257 1.00 0.00 C ATOM 118 CG PRO A 11 1.371 -12.595 3.114 1.00 0.00 C ATOM 119 CD PRO A 11 2.457 -13.543 2.688 1.00 0.00 C ATOM 0 HA PRO A 11 3.282 -10.861 1.030 1.00 0.00 H new ATOM 0 HB2 PRO A 11 1.135 -10.497 2.755 1.00 0.00 H new ATOM 0 HB3 PRO A 11 0.972 -11.492 1.322 1.00 0.00 H new ATOM 0 HG2 PRO A 11 1.468 -12.340 4.169 1.00 0.00 H new ATOM 0 HG3 PRO A 11 0.387 -13.045 2.984 1.00 0.00 H new ATOM 0 HD2 PRO A 11 2.821 -14.139 3.525 1.00 0.00 H new ATOM 0 HD3 PRO A 11 2.106 -14.241 1.928 1.00 0.00 H new ATOM 127 N PRO A 12 3.447 -9.013 2.815 1.00 0.00 N ATOM 128 CA PRO A 12 3.991 -7.976 3.698 1.00 0.00 C ATOM 129 C PRO A 12 3.328 -7.977 5.071 1.00 0.00 C ATOM 130 O PRO A 12 2.130 -7.719 5.192 1.00 0.00 O ATOM 131 CB PRO A 12 3.677 -6.677 2.953 1.00 0.00 C ATOM 132 CG PRO A 12 2.497 -7.002 2.104 1.00 0.00 C ATOM 133 CD PRO A 12 2.653 -8.445 1.713 1.00 0.00 C ATOM 0 HA PRO A 12 5.053 -8.124 3.896 1.00 0.00 H new ATOM 0 HB2 PRO A 12 3.454 -5.867 3.647 1.00 0.00 H new ATOM 0 HB3 PRO A 12 4.523 -6.354 2.347 1.00 0.00 H new ATOM 0 HG2 PRO A 12 1.567 -6.844 2.651 1.00 0.00 H new ATOM 0 HG3 PRO A 12 2.461 -6.361 1.223 1.00 0.00 H new ATOM 0 HD2 PRO A 12 1.688 -8.942 1.616 1.00 0.00 H new ATOM 0 HD3 PRO A 12 3.163 -8.549 0.755 1.00 0.00 H new ATOM 141 N ARG A 13 4.114 -8.269 6.102 1.00 0.00 N ATOM 142 CA ARG A 13 3.602 -8.304 7.467 1.00 0.00 C ATOM 143 C ARG A 13 3.835 -6.970 8.169 1.00 0.00 C ATOM 144 O ARG A 13 2.914 -6.389 8.743 1.00 0.00 O ATOM 145 CB ARG A 13 4.269 -9.432 8.256 1.00 0.00 C ATOM 146 CG ARG A 13 5.783 -9.315 8.324 1.00 0.00 C ATOM 147 CD ARG A 13 6.442 -10.679 8.451 1.00 0.00 C ATOM 148 NE ARG A 13 7.774 -10.590 9.042 1.00 0.00 N ATOM 149 CZ ARG A 13 8.483 -11.649 9.419 1.00 0.00 C ATOM 150 NH1 ARG A 13 7.989 -12.870 9.267 1.00 0.00 N ATOM 151 NH2 ARG A 13 9.689 -11.487 9.950 1.00 0.00 N ATOM 0 H ARG A 13 5.107 -8.485 6.018 1.00 0.00 H new ATOM 0 HA ARG A 13 2.529 -8.488 7.421 1.00 0.00 H new ATOM 0 HB2 ARG A 13 3.868 -9.442 9.269 1.00 0.00 H new ATOM 0 HB3 ARG A 13 4.007 -10.387 7.800 1.00 0.00 H new ATOM 0 HG2 ARG A 13 6.151 -8.814 7.429 1.00 0.00 H new ATOM 0 HG3 ARG A 13 6.063 -8.694 9.175 1.00 0.00 H new ATOM 0 HD2 ARG A 13 5.816 -11.328 9.063 1.00 0.00 H new ATOM 0 HD3 ARG A 13 6.512 -11.141 7.466 1.00 0.00 H new ATOM 0 HE ARG A 13 8.183 -9.665 9.173 1.00 0.00 H new ATOM 0 HH11 ARG A 13 7.063 -12.998 8.860 1.00 0.00 H new ATOM 0 HH12 ARG A 13 8.535 -13.681 9.557 1.00 0.00 H new ATOM 0 HH21 ARG A 13 10.072 -10.549 10.069 1.00 0.00 H new ATOM 0 HH22 ARG A 13 10.232 -12.300 10.239 1.00 0.00 H new ATOM 165 N ALA A 14 5.074 -6.490 8.120 1.00 0.00 N ATOM 166 CA ALA A 14 5.428 -5.224 8.750 1.00 0.00 C ATOM 167 C ALA A 14 4.922 -4.042 7.931 1.00 0.00 C ATOM 168 O ALA A 14 5.703 -3.194 7.497 1.00 0.00 O ATOM 169 CB ALA A 14 6.936 -5.132 8.938 1.00 0.00 C ATOM 0 H ALA A 14 5.849 -6.959 7.651 1.00 0.00 H new ATOM 0 HA ALA A 14 4.948 -5.186 9.728 1.00 0.00 H new ATOM 0 HB1 ALA A 14 7.187 -4.182 9.409 1.00 0.00 H new ATOM 0 HB2 ALA A 14 7.274 -5.952 9.572 1.00 0.00 H new ATOM 0 HB3 ALA A 14 7.428 -5.197 7.968 1.00 0.00 H new ATOM 175 N LEU A 15 3.611 -3.992 7.721 1.00 0.00 N ATOM 176 CA LEU A 15 3.000 -2.913 6.952 1.00 0.00 C ATOM 177 C LEU A 15 2.812 -1.669 7.815 1.00 0.00 C ATOM 178 O LEU A 15 1.849 -1.568 8.576 1.00 0.00 O ATOM 179 CB LEU A 15 1.653 -3.364 6.386 1.00 0.00 C ATOM 180 CG LEU A 15 1.707 -4.178 5.093 1.00 0.00 C ATOM 181 CD1 LEU A 15 0.538 -5.148 5.023 1.00 0.00 C ATOM 182 CD2 LEU A 15 1.711 -3.257 3.882 1.00 0.00 C ATOM 0 H LEU A 15 2.951 -4.686 8.072 1.00 0.00 H new ATOM 0 HA LEU A 15 3.668 -2.663 6.128 1.00 0.00 H new ATOM 0 HB2 LEU A 15 1.143 -3.958 7.145 1.00 0.00 H new ATOM 0 HB3 LEU A 15 1.041 -2.479 6.210 1.00 0.00 H new ATOM 0 HG LEU A 15 2.632 -4.755 5.089 1.00 0.00 H new ATOM 0 HD11 LEU A 15 0.594 -5.718 4.096 1.00 0.00 H new ATOM 0 HD12 LEU A 15 0.580 -5.830 5.872 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -0.399 -4.591 5.051 1.00 0.00 H new ATOM 0 HD21 LEU A 15 1.750 -3.854 2.971 1.00 0.00 H new ATOM 0 HD22 LEU A 15 0.804 -2.653 3.882 1.00 0.00 H new ATOM 0 HD23 LEU A 15 2.582 -2.603 3.925 1.00 0.00 H new ATOM 194 N THR A 16 3.736 -0.722 7.689 1.00 0.00 N ATOM 195 CA THR A 16 3.671 0.516 8.455 1.00 0.00 C ATOM 196 C THR A 16 3.699 1.733 7.538 1.00 0.00 C ATOM 197 O THR A 16 4.375 1.731 6.508 1.00 0.00 O ATOM 198 CB THR A 16 4.836 0.617 9.458 1.00 0.00 C ATOM 199 OG1 THR A 16 4.774 -0.467 10.392 1.00 0.00 O ATOM 200 CG2 THR A 16 4.792 1.941 10.207 1.00 0.00 C ATOM 0 H THR A 16 4.539 -0.789 7.063 1.00 0.00 H new ATOM 0 HA THR A 16 2.729 0.499 9.003 1.00 0.00 H new ATOM 0 HB THR A 16 5.771 0.563 8.901 1.00 0.00 H new ATOM 0 HG1 THR A 16 5.519 -0.396 11.025 1.00 0.00 H new ATOM 0 HG21 THR A 16 5.624 1.989 10.909 1.00 0.00 H new ATOM 0 HG22 THR A 16 4.869 2.764 9.496 1.00 0.00 H new ATOM 0 HG23 THR A 16 3.852 2.019 10.753 1.00 0.00 H new ATOM 208 N LEU A 17 2.962 2.771 7.917 1.00 0.00 N ATOM 209 CA LEU A 17 2.902 3.996 7.128 1.00 0.00 C ATOM 210 C LEU A 17 4.188 4.803 7.277 1.00 0.00 C ATOM 211 O LEU A 17 4.488 5.317 8.354 1.00 0.00 O ATOM 212 CB LEU A 17 1.703 4.844 7.555 1.00 0.00 C ATOM 213 CG LEU A 17 1.065 5.703 6.463 1.00 0.00 C ATOM 214 CD1 LEU A 17 -0.266 6.267 6.936 1.00 0.00 C ATOM 215 CD2 LEU A 17 2.006 6.827 6.051 1.00 0.00 C ATOM 0 H LEU A 17 2.397 2.789 8.766 1.00 0.00 H new ATOM 0 HA LEU A 17 2.788 3.718 6.080 1.00 0.00 H new ATOM 0 HB2 LEU A 17 0.939 4.180 7.959 1.00 0.00 H new ATOM 0 HB3 LEU A 17 2.018 5.499 8.367 1.00 0.00 H new ATOM 0 HG LEU A 17 0.880 5.072 5.593 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -0.705 6.876 6.145 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -0.942 5.448 7.181 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -0.106 6.883 7.821 1.00 0.00 H new ATOM 0 HD21 LEU A 17 1.536 7.428 5.273 1.00 0.00 H new ATOM 0 HD22 LEU A 17 2.222 7.456 6.915 1.00 0.00 H new ATOM 0 HD23 LEU A 17 2.935 6.403 5.670 1.00 0.00 H new ATOM 227 N ALA A 18 4.943 4.911 6.188 1.00 0.00 N ATOM 228 CA ALA A 18 6.194 5.659 6.197 1.00 0.00 C ATOM 229 C ALA A 18 5.950 7.133 6.503 1.00 0.00 C ATOM 230 O ALA A 18 6.605 7.713 7.368 1.00 0.00 O ATOM 231 CB ALA A 18 6.910 5.506 4.863 1.00 0.00 C ATOM 0 H ALA A 18 4.710 4.490 5.289 1.00 0.00 H new ATOM 0 HA ALA A 18 6.827 5.251 6.985 1.00 0.00 H new ATOM 0 HB1 ALA A 18 7.843 6.070 4.884 1.00 0.00 H new ATOM 0 HB2 ALA A 18 7.127 4.453 4.685 1.00 0.00 H new ATOM 0 HB3 ALA A 18 6.274 5.886 4.063 1.00 0.00 H new ATOM 237 N ALA A 19 5.005 7.732 5.787 1.00 0.00 N ATOM 238 CA ALA A 19 4.674 9.138 5.984 1.00 0.00 C ATOM 239 C ALA A 19 3.235 9.427 5.572 1.00 0.00 C ATOM 240 O ALA A 19 2.794 9.023 4.495 1.00 0.00 O ATOM 241 CB ALA A 19 5.636 10.021 5.201 1.00 0.00 C ATOM 0 H ALA A 19 4.455 7.266 5.065 1.00 0.00 H new ATOM 0 HA ALA A 19 4.772 9.363 7.046 1.00 0.00 H new ATOM 0 HB1 ALA A 19 5.377 11.068 5.357 1.00 0.00 H new ATOM 0 HB2 ALA A 19 6.655 9.844 5.545 1.00 0.00 H new ATOM 0 HB3 ALA A 19 5.565 9.784 4.139 1.00 0.00 H new ATOM 247 N VAL A 20 2.506 10.127 6.435 1.00 0.00 N ATOM 248 CA VAL A 20 1.115 10.469 6.161 1.00 0.00 C ATOM 249 C VAL A 20 0.993 11.900 5.650 1.00 0.00 C ATOM 250 O VAL A 20 1.235 12.858 6.386 1.00 0.00 O ATOM 251 CB VAL A 20 0.239 10.307 7.417 1.00 0.00 C ATOM 252 CG1 VAL A 20 0.708 11.243 8.520 1.00 0.00 C ATOM 253 CG2 VAL A 20 -1.224 10.555 7.081 1.00 0.00 C ATOM 0 H VAL A 20 2.856 10.469 7.330 1.00 0.00 H new ATOM 0 HA VAL A 20 0.764 9.780 5.392 1.00 0.00 H new ATOM 0 HB VAL A 20 0.337 9.283 7.778 1.00 0.00 H new ATOM 0 HG11 VAL A 20 0.077 11.114 9.399 1.00 0.00 H new ATOM 0 HG12 VAL A 20 1.742 11.012 8.778 1.00 0.00 H new ATOM 0 HG13 VAL A 20 0.642 12.275 8.174 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -1.829 10.436 7.980 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -1.342 11.568 6.695 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -1.551 9.839 6.327 1.00 0.00 H new ATOM 263 N THR A 21 0.614 12.041 4.384 1.00 0.00 N ATOM 264 CA THR A 21 0.459 13.355 3.774 1.00 0.00 C ATOM 265 C THR A 21 -0.961 13.558 3.257 1.00 0.00 C ATOM 266 O THR A 21 -1.558 12.670 2.648 1.00 0.00 O ATOM 267 CB THR A 21 1.449 13.555 2.611 1.00 0.00 C ATOM 268 OG1 THR A 21 2.667 12.851 2.879 1.00 0.00 O ATOM 269 CG2 THR A 21 1.747 15.032 2.402 1.00 0.00 C ATOM 0 H THR A 21 0.409 11.260 3.761 1.00 0.00 H new ATOM 0 HA THR A 21 0.669 14.090 4.551 1.00 0.00 H new ATOM 0 HB THR A 21 0.993 13.161 1.703 1.00 0.00 H new ATOM 0 HG1 THR A 21 3.291 12.981 2.135 1.00 0.00 H new ATOM 0 HG21 THR A 21 2.448 15.148 1.576 1.00 0.00 H new ATOM 0 HG22 THR A 21 0.822 15.561 2.170 1.00 0.00 H new ATOM 0 HG23 THR A 21 2.184 15.447 3.310 1.00 0.00 H new ATOM 277 N PRO A 22 -1.516 14.753 3.503 1.00 0.00 N ATOM 278 CA PRO A 22 -2.873 15.100 3.069 1.00 0.00 C ATOM 279 C PRO A 22 -2.976 15.255 1.555 1.00 0.00 C ATOM 280 O PRO A 22 -4.058 15.492 1.019 1.00 0.00 O ATOM 281 CB PRO A 22 -3.135 16.440 3.762 1.00 0.00 C ATOM 282 CG PRO A 22 -1.782 17.024 3.982 1.00 0.00 C ATOM 283 CD PRO A 22 -0.863 15.859 4.223 1.00 0.00 C ATOM 0 HA PRO A 22 -3.594 14.323 3.325 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -3.752 17.092 3.143 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -3.664 16.301 4.705 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -1.461 17.602 3.115 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -1.784 17.703 4.835 1.00 0.00 H new ATOM 0 HD2 PRO A 22 0.139 16.052 3.839 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -0.761 15.641 5.286 1.00 0.00 H new ATOM 291 N ARG A 23 -1.844 15.117 0.873 1.00 0.00 N ATOM 292 CA ARG A 23 -1.808 15.242 -0.579 1.00 0.00 C ATOM 293 C ARG A 23 -1.215 13.990 -1.218 1.00 0.00 C ATOM 294 O ARG A 23 -1.355 13.767 -2.421 1.00 0.00 O ATOM 295 CB ARG A 23 -0.991 16.470 -0.986 1.00 0.00 C ATOM 296 CG ARG A 23 0.182 16.755 -0.063 1.00 0.00 C ATOM 297 CD ARG A 23 1.091 17.833 -0.633 1.00 0.00 C ATOM 298 NE ARG A 23 2.151 18.206 0.300 1.00 0.00 N ATOM 299 CZ ARG A 23 3.277 18.806 -0.069 1.00 0.00 C ATOM 300 NH1 ARG A 23 3.489 19.099 -1.344 1.00 0.00 N ATOM 301 NH2 ARG A 23 4.194 19.113 0.839 1.00 0.00 N ATOM 0 H ARG A 23 -0.940 14.919 1.302 1.00 0.00 H new ATOM 0 HA ARG A 23 -2.832 15.360 -0.934 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -0.618 16.328 -2.000 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -1.646 17.341 -1.007 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -0.189 17.069 0.912 1.00 0.00 H new ATOM 0 HG3 ARG A 23 0.754 15.840 0.093 1.00 0.00 H new ATOM 0 HD2 ARG A 23 1.535 17.478 -1.563 1.00 0.00 H new ATOM 0 HD3 ARG A 23 0.498 18.714 -0.879 1.00 0.00 H new ATOM 0 HE ARG A 23 2.019 17.994 1.289 1.00 0.00 H new ATOM 0 HH11 ARG A 23 2.786 18.864 -2.045 1.00 0.00 H new ATOM 0 HH12 ARG A 23 4.355 19.560 -1.624 1.00 0.00 H new ATOM 0 HH21 ARG A 23 4.035 18.888 1.821 1.00 0.00 H new ATOM 0 HH22 ARG A 23 5.059 19.574 0.555 1.00 0.00 H new ATOM 315 N THR A 24 -0.551 13.174 -0.404 1.00 0.00 N ATOM 316 CA THR A 24 0.064 11.945 -0.889 1.00 0.00 C ATOM 317 C THR A 24 0.121 10.888 0.208 1.00 0.00 C ATOM 318 O THR A 24 -0.004 11.201 1.392 1.00 0.00 O ATOM 319 CB THR A 24 1.489 12.200 -1.415 1.00 0.00 C ATOM 320 OG1 THR A 24 2.346 12.593 -0.337 1.00 0.00 O ATOM 321 CG2 THR A 24 1.486 13.280 -2.486 1.00 0.00 C ATOM 0 H THR A 24 -0.426 13.343 0.594 1.00 0.00 H new ATOM 0 HA THR A 24 -0.558 11.582 -1.707 1.00 0.00 H new ATOM 0 HB THR A 24 1.860 11.275 -1.856 1.00 0.00 H new ATOM 0 HG1 THR A 24 3.250 12.752 -0.679 1.00 0.00 H new ATOM 0 HG21 THR A 24 2.503 13.442 -2.842 1.00 0.00 H new ATOM 0 HG22 THR A 24 0.856 12.965 -3.318 1.00 0.00 H new ATOM 0 HG23 THR A 24 1.096 14.207 -2.066 1.00 0.00 H new ATOM 329 N VAL A 25 0.311 9.635 -0.193 1.00 0.00 N ATOM 330 CA VAL A 25 0.387 8.532 0.757 1.00 0.00 C ATOM 331 C VAL A 25 1.583 7.634 0.463 1.00 0.00 C ATOM 332 O VAL A 25 1.782 7.198 -0.672 1.00 0.00 O ATOM 333 CB VAL A 25 -0.897 7.682 0.733 1.00 0.00 C ATOM 334 CG1 VAL A 25 -0.672 6.354 1.440 1.00 0.00 C ATOM 335 CG2 VAL A 25 -2.052 8.443 1.366 1.00 0.00 C ATOM 0 H VAL A 25 0.415 9.359 -1.169 1.00 0.00 H new ATOM 0 HA VAL A 25 0.503 8.974 1.746 1.00 0.00 H new ATOM 0 HB VAL A 25 -1.155 7.474 -0.306 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -1.590 5.767 1.413 1.00 0.00 H new ATOM 0 HG12 VAL A 25 0.125 5.805 0.938 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -0.389 6.537 2.477 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -2.951 7.827 1.340 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -1.806 8.683 2.400 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -2.228 9.365 0.811 1.00 0.00 H new ATOM 345 N HIS A 26 2.378 7.361 1.493 1.00 0.00 N ATOM 346 CA HIS A 26 3.556 6.513 1.345 1.00 0.00 C ATOM 347 C HIS A 26 3.500 5.332 2.310 1.00 0.00 C ATOM 348 O HIS A 26 3.486 5.513 3.528 1.00 0.00 O ATOM 349 CB HIS A 26 4.829 7.325 1.588 1.00 0.00 C ATOM 350 CG HIS A 26 6.059 6.697 1.009 1.00 0.00 C ATOM 351 ND1 HIS A 26 7.202 7.411 0.717 1.00 0.00 N ATOM 352 CD2 HIS A 26 6.322 5.414 0.670 1.00 0.00 C ATOM 353 CE1 HIS A 26 8.114 6.594 0.222 1.00 0.00 C ATOM 354 NE2 HIS A 26 7.606 5.376 0.183 1.00 0.00 N ATOM 0 H HIS A 26 2.228 7.714 2.438 1.00 0.00 H new ATOM 0 HA HIS A 26 3.569 6.127 0.326 1.00 0.00 H new ATOM 0 HB2 HIS A 26 4.703 8.320 1.160 1.00 0.00 H new ATOM 0 HB3 HIS A 26 4.968 7.455 2.661 1.00 0.00 H new ATOM 0 HD1 HIS A 26 7.324 8.413 0.861 1.00 0.00 H new ATOM 0 HD2 HIS A 26 5.648 4.576 0.765 1.00 0.00 H new ATOM 0 HE1 HIS A 26 9.107 6.875 -0.097 1.00 0.00 H new ATOM 363 N LEU A 27 3.467 4.125 1.757 1.00 0.00 N ATOM 364 CA LEU A 27 3.411 2.913 2.569 1.00 0.00 C ATOM 365 C LEU A 27 4.676 2.079 2.389 1.00 0.00 C ATOM 366 O LEU A 27 5.142 1.871 1.268 1.00 0.00 O ATOM 367 CB LEU A 27 2.182 2.083 2.197 1.00 0.00 C ATOM 368 CG LEU A 27 1.557 1.266 3.328 1.00 0.00 C ATOM 369 CD1 LEU A 27 2.631 0.516 4.102 1.00 0.00 C ATOM 370 CD2 LEU A 27 0.758 2.167 4.259 1.00 0.00 C ATOM 0 H LEU A 27 3.478 3.959 0.751 1.00 0.00 H new ATOM 0 HA LEU A 27 3.338 3.209 3.616 1.00 0.00 H new ATOM 0 HB2 LEU A 27 1.422 2.755 1.798 1.00 0.00 H new ATOM 0 HB3 LEU A 27 2.459 1.401 1.393 1.00 0.00 H new ATOM 0 HG LEU A 27 0.877 0.536 2.889 1.00 0.00 H new ATOM 0 HD11 LEU A 27 2.167 -0.060 4.903 1.00 0.00 H new ATOM 0 HD12 LEU A 27 3.160 -0.159 3.429 1.00 0.00 H new ATOM 0 HD13 LEU A 27 3.336 1.229 4.529 1.00 0.00 H new ATOM 0 HD21 LEU A 27 0.320 1.568 5.058 1.00 0.00 H new ATOM 0 HD22 LEU A 27 1.417 2.921 4.690 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -0.036 2.658 3.697 1.00 0.00 H new ATOM 382 N THR A 28 5.226 1.602 3.501 1.00 0.00 N ATOM 383 CA THR A 28 6.436 0.789 3.467 1.00 0.00 C ATOM 384 C THR A 28 6.250 -0.507 4.247 1.00 0.00 C ATOM 385 O THR A 28 5.726 -0.502 5.361 1.00 0.00 O ATOM 386 CB THR A 28 7.642 1.553 4.043 1.00 0.00 C ATOM 387 OG1 THR A 28 7.370 1.954 5.391 1.00 0.00 O ATOM 388 CG2 THR A 28 7.961 2.779 3.199 1.00 0.00 C ATOM 0 H THR A 28 4.853 1.764 4.436 1.00 0.00 H new ATOM 0 HA THR A 28 6.630 0.555 2.420 1.00 0.00 H new ATOM 0 HB THR A 28 8.505 0.887 4.029 1.00 0.00 H new ATOM 0 HG1 THR A 28 8.143 2.438 5.751 1.00 0.00 H new ATOM 0 HG21 THR A 28 8.817 3.302 3.626 1.00 0.00 H new ATOM 0 HG22 THR A 28 8.197 2.469 2.181 1.00 0.00 H new ATOM 0 HG23 THR A 28 7.099 3.445 3.185 1.00 0.00 H new ATOM 396 N TRP A 29 6.682 -1.615 3.656 1.00 0.00 N ATOM 397 CA TRP A 29 6.563 -2.919 4.297 1.00 0.00 C ATOM 398 C TRP A 29 7.889 -3.671 4.253 1.00 0.00 C ATOM 399 O TRP A 29 8.884 -3.160 3.740 1.00 0.00 O ATOM 400 CB TRP A 29 5.471 -3.747 3.618 1.00 0.00 C ATOM 401 CG TRP A 29 5.610 -3.804 2.126 1.00 0.00 C ATOM 402 CD1 TRP A 29 6.401 -4.655 1.408 1.00 0.00 C ATOM 403 CD2 TRP A 29 4.940 -2.973 1.171 1.00 0.00 C ATOM 404 NE1 TRP A 29 6.263 -4.403 0.065 1.00 0.00 N ATOM 405 CE2 TRP A 29 5.372 -3.377 -0.107 1.00 0.00 C ATOM 406 CE3 TRP A 29 4.017 -1.929 1.271 1.00 0.00 C ATOM 407 CZ2 TRP A 29 4.912 -2.772 -1.274 1.00 0.00 C ATOM 408 CZ3 TRP A 29 3.561 -1.330 0.113 1.00 0.00 C ATOM 409 CH2 TRP A 29 4.008 -1.753 -1.146 1.00 0.00 C ATOM 0 H TRP A 29 7.118 -1.636 2.734 1.00 0.00 H new ATOM 0 HA TRP A 29 6.292 -2.759 5.341 1.00 0.00 H new ATOM 0 HB2 TRP A 29 5.493 -4.761 4.017 1.00 0.00 H new ATOM 0 HB3 TRP A 29 4.497 -3.327 3.869 1.00 0.00 H new ATOM 0 HD1 TRP A 29 7.041 -5.414 1.834 1.00 0.00 H new ATOM 0 HE1 TRP A 29 6.746 -4.900 -0.684 1.00 0.00 H new ATOM 0 HE3 TRP A 29 3.666 -1.596 2.237 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 5.256 -3.096 -2.245 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 2.848 -0.522 0.179 1.00 0.00 H new ATOM 0 HH2 TRP A 29 3.631 -1.265 -2.033 1.00 0.00 H new ATOM 420 N GLN A 30 7.895 -4.885 4.794 1.00 0.00 N ATOM 421 CA GLN A 30 9.100 -5.705 4.815 1.00 0.00 C ATOM 422 C GLN A 30 9.322 -6.382 3.467 1.00 0.00 C ATOM 423 O GLN A 30 8.387 -6.854 2.820 1.00 0.00 O ATOM 424 CB GLN A 30 9.005 -6.759 5.920 1.00 0.00 C ATOM 425 CG GLN A 30 9.564 -6.294 7.255 1.00 0.00 C ATOM 426 CD GLN A 30 9.312 -7.288 8.371 1.00 0.00 C ATOM 427 OE1 GLN A 30 8.833 -8.397 8.134 1.00 0.00 O ATOM 428 NE2 GLN A 30 9.634 -6.895 9.598 1.00 0.00 N ATOM 0 H GLN A 30 7.079 -5.322 5.223 1.00 0.00 H new ATOM 0 HA GLN A 30 9.950 -5.053 5.017 1.00 0.00 H new ATOM 0 HB2 GLN A 30 7.961 -7.042 6.052 1.00 0.00 H new ATOM 0 HB3 GLN A 30 9.540 -7.654 5.604 1.00 0.00 H new ATOM 0 HG2 GLN A 30 10.637 -6.128 7.157 1.00 0.00 H new ATOM 0 HG3 GLN A 30 9.116 -5.336 7.519 1.00 0.00 H new ATOM 0 HE21 GLN A 30 10.029 -5.967 9.749 1.00 0.00 H new ATOM 0 HE22 GLN A 30 9.487 -7.522 10.389 1.00 0.00 H new ATOM 437 N PRO A 31 10.590 -6.432 3.031 1.00 0.00 N ATOM 438 CA PRO A 31 10.964 -7.050 1.755 1.00 0.00 C ATOM 439 C PRO A 31 10.809 -8.567 1.778 1.00 0.00 C ATOM 440 O PRO A 31 11.156 -9.221 2.762 1.00 0.00 O ATOM 441 CB PRO A 31 12.437 -6.665 1.594 1.00 0.00 C ATOM 442 CG PRO A 31 12.925 -6.442 2.984 1.00 0.00 C ATOM 443 CD PRO A 31 11.755 -5.890 3.750 1.00 0.00 C ATOM 0 HA PRO A 31 10.329 -6.712 0.936 1.00 0.00 H new ATOM 0 HB2 PRO A 31 13.001 -7.455 1.099 1.00 0.00 H new ATOM 0 HB3 PRO A 31 12.547 -5.766 0.987 1.00 0.00 H new ATOM 0 HG2 PRO A 31 13.278 -7.373 3.428 1.00 0.00 H new ATOM 0 HG3 PRO A 31 13.763 -5.745 2.996 1.00 0.00 H new ATOM 0 HD2 PRO A 31 11.769 -6.211 4.792 1.00 0.00 H new ATOM 0 HD3 PRO A 31 11.754 -4.800 3.752 1.00 0.00 H new ATOM 451 N SER A 32 10.287 -9.120 0.688 1.00 0.00 N ATOM 452 CA SER A 32 10.083 -10.560 0.585 1.00 0.00 C ATOM 453 C SER A 32 11.376 -11.265 0.185 1.00 0.00 C ATOM 454 O SER A 32 12.242 -10.677 -0.462 1.00 0.00 O ATOM 455 CB SER A 32 8.985 -10.869 -0.435 1.00 0.00 C ATOM 456 OG SER A 32 7.699 -10.732 0.144 1.00 0.00 O ATOM 0 H SER A 32 9.998 -8.593 -0.136 1.00 0.00 H new ATOM 0 HA SER A 32 9.776 -10.929 1.563 1.00 0.00 H new ATOM 0 HB2 SER A 32 9.077 -10.197 -1.288 1.00 0.00 H new ATOM 0 HB3 SER A 32 9.111 -11.883 -0.814 1.00 0.00 H new ATOM 0 HG SER A 32 7.406 -11.598 0.498 1.00 0.00 H new ATOM 462 N ALA A 33 11.499 -12.528 0.577 1.00 0.00 N ATOM 463 CA ALA A 33 12.684 -13.315 0.259 1.00 0.00 C ATOM 464 C ALA A 33 12.557 -13.970 -1.112 1.00 0.00 C ATOM 465 O ALA A 33 12.282 -15.165 -1.216 1.00 0.00 O ATOM 466 CB ALA A 33 12.921 -14.369 1.331 1.00 0.00 C ATOM 0 H ALA A 33 10.792 -13.029 1.116 1.00 0.00 H new ATOM 0 HA ALA A 33 13.541 -12.642 0.232 1.00 0.00 H new ATOM 0 HB1 ALA A 33 13.809 -14.949 1.081 1.00 0.00 H new ATOM 0 HB2 ALA A 33 13.066 -13.881 2.295 1.00 0.00 H new ATOM 0 HB3 ALA A 33 12.058 -15.032 1.386 1.00 0.00 H new ATOM 472 N GLY A 34 12.758 -13.180 -2.162 1.00 0.00 N ATOM 473 CA GLY A 34 12.660 -13.702 -3.512 1.00 0.00 C ATOM 474 C GLY A 34 11.918 -12.764 -4.444 1.00 0.00 C ATOM 475 O GLY A 34 12.374 -12.493 -5.555 1.00 0.00 O ATOM 0 H GLY A 34 12.987 -12.188 -2.102 1.00 0.00 H new ATOM 0 HA2 GLY A 34 13.662 -13.880 -3.903 1.00 0.00 H new ATOM 0 HA3 GLY A 34 12.150 -14.665 -3.490 1.00 0.00 H new ATOM 479 N ALA A 35 10.771 -12.268 -3.992 1.00 0.00 N ATOM 480 CA ALA A 35 9.965 -11.355 -4.793 1.00 0.00 C ATOM 481 C ALA A 35 10.783 -10.146 -5.237 1.00 0.00 C ATOM 482 O ALA A 35 11.443 -9.497 -4.425 1.00 0.00 O ATOM 483 CB ALA A 35 8.740 -10.906 -4.009 1.00 0.00 C ATOM 0 H ALA A 35 10.379 -12.483 -3.075 1.00 0.00 H new ATOM 0 HA ALA A 35 9.637 -11.887 -5.686 1.00 0.00 H new ATOM 0 HB1 ALA A 35 8.147 -10.225 -4.619 1.00 0.00 H new ATOM 0 HB2 ALA A 35 8.137 -11.775 -3.746 1.00 0.00 H new ATOM 0 HB3 ALA A 35 9.057 -10.396 -3.099 1.00 0.00 H new ATOM 489 N THR A 36 10.735 -9.850 -6.532 1.00 0.00 N ATOM 490 CA THR A 36 11.473 -8.721 -7.085 1.00 0.00 C ATOM 491 C THR A 36 10.562 -7.515 -7.288 1.00 0.00 C ATOM 492 O THR A 36 11.033 -6.385 -7.423 1.00 0.00 O ATOM 493 CB THR A 36 12.132 -9.084 -8.429 1.00 0.00 C ATOM 494 OG1 THR A 36 12.858 -7.960 -8.938 1.00 0.00 O ATOM 495 CG2 THR A 36 11.086 -9.520 -9.444 1.00 0.00 C ATOM 0 H THR A 36 10.193 -10.376 -7.217 1.00 0.00 H new ATOM 0 HA THR A 36 12.251 -8.469 -6.364 1.00 0.00 H new ATOM 0 HB THR A 36 12.819 -9.913 -8.259 1.00 0.00 H new ATOM 0 HG1 THR A 36 12.562 -7.145 -8.481 1.00 0.00 H new ATOM 0 HG21 THR A 36 11.575 -9.771 -10.385 1.00 0.00 H new ATOM 0 HG22 THR A 36 10.555 -10.394 -9.066 1.00 0.00 H new ATOM 0 HG23 THR A 36 10.378 -8.708 -9.609 1.00 0.00 H new ATOM 503 N HIS A 37 9.256 -7.762 -7.306 1.00 0.00 N ATOM 504 CA HIS A 37 8.279 -6.695 -7.491 1.00 0.00 C ATOM 505 C HIS A 37 7.002 -6.986 -6.708 1.00 0.00 C ATOM 506 O HIS A 37 6.643 -8.145 -6.497 1.00 0.00 O ATOM 507 CB HIS A 37 7.953 -6.525 -8.976 1.00 0.00 C ATOM 508 CG HIS A 37 7.332 -7.739 -9.595 1.00 0.00 C ATOM 509 ND1 HIS A 37 8.070 -8.758 -10.159 1.00 0.00 N ATOM 510 CD2 HIS A 37 6.033 -8.094 -9.736 1.00 0.00 C ATOM 511 CE1 HIS A 37 7.252 -9.687 -10.622 1.00 0.00 C ATOM 512 NE2 HIS A 37 6.011 -9.309 -10.377 1.00 0.00 N ATOM 0 H HIS A 37 8.850 -8.691 -7.195 1.00 0.00 H new ATOM 0 HA HIS A 37 8.713 -5.769 -7.113 1.00 0.00 H new ATOM 0 HB2 HIS A 37 7.276 -5.679 -9.097 1.00 0.00 H new ATOM 0 HB3 HIS A 37 8.868 -6.280 -9.515 1.00 0.00 H new ATOM 0 HD2 HIS A 37 5.174 -7.528 -9.406 1.00 0.00 H new ATOM 0 HE1 HIS A 37 7.548 -10.600 -11.117 1.00 0.00 H new ATOM 0 HE2 HIS A 37 5.172 -9.834 -10.624 1.00 0.00 H new ATOM 521 N TYR A 38 6.323 -5.928 -6.280 1.00 0.00 N ATOM 522 CA TYR A 38 5.088 -6.070 -5.518 1.00 0.00 C ATOM 523 C TYR A 38 3.938 -5.339 -6.203 1.00 0.00 C ATOM 524 O TYR A 38 4.150 -4.376 -6.940 1.00 0.00 O ATOM 525 CB TYR A 38 5.276 -5.532 -4.098 1.00 0.00 C ATOM 526 CG TYR A 38 6.661 -5.768 -3.540 1.00 0.00 C ATOM 527 CD1 TYR A 38 6.969 -6.945 -2.868 1.00 0.00 C ATOM 528 CD2 TYR A 38 7.661 -4.815 -3.683 1.00 0.00 C ATOM 529 CE1 TYR A 38 8.233 -7.165 -2.355 1.00 0.00 C ATOM 530 CE2 TYR A 38 8.928 -5.026 -3.175 1.00 0.00 C ATOM 531 CZ TYR A 38 9.209 -6.203 -2.512 1.00 0.00 C ATOM 532 OH TYR A 38 10.470 -6.417 -2.003 1.00 0.00 O ATOM 0 H TYR A 38 6.607 -4.963 -6.448 1.00 0.00 H new ATOM 0 HA TYR A 38 4.841 -7.131 -5.468 1.00 0.00 H new ATOM 0 HB2 TYR A 38 5.069 -4.462 -4.094 1.00 0.00 H new ATOM 0 HB3 TYR A 38 4.544 -6.001 -3.441 1.00 0.00 H new ATOM 0 HD1 TYR A 38 6.207 -7.701 -2.745 1.00 0.00 H new ATOM 0 HD2 TYR A 38 7.444 -3.892 -4.201 1.00 0.00 H new ATOM 0 HE1 TYR A 38 8.455 -8.085 -1.834 1.00 0.00 H new ATOM 0 HE2 TYR A 38 9.694 -4.274 -3.296 1.00 0.00 H new ATOM 0 HH TYR A 38 11.130 -5.948 -2.555 1.00 0.00 H new ATOM 542 N LEU A 39 2.718 -5.803 -5.953 1.00 0.00 N ATOM 543 CA LEU A 39 1.532 -5.194 -6.544 1.00 0.00 C ATOM 544 C LEU A 39 0.792 -4.338 -5.521 1.00 0.00 C ATOM 545 O LEU A 39 0.482 -4.795 -4.421 1.00 0.00 O ATOM 546 CB LEU A 39 0.598 -6.276 -7.091 1.00 0.00 C ATOM 547 CG LEU A 39 -0.357 -5.839 -8.203 1.00 0.00 C ATOM 548 CD1 LEU A 39 -1.298 -4.754 -7.702 1.00 0.00 C ATOM 549 CD2 LEU A 39 0.424 -5.352 -9.415 1.00 0.00 C ATOM 0 H LEU A 39 2.525 -6.599 -5.345 1.00 0.00 H new ATOM 0 HA LEU A 39 1.854 -4.551 -7.363 1.00 0.00 H new ATOM 0 HB2 LEU A 39 1.207 -7.099 -7.465 1.00 0.00 H new ATOM 0 HB3 LEU A 39 0.006 -6.669 -6.264 1.00 0.00 H new ATOM 0 HG LEU A 39 -0.955 -6.700 -8.502 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -1.970 -4.455 -8.506 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -1.882 -5.137 -6.865 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -0.717 -3.891 -7.375 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -0.271 -5.045 -10.196 1.00 0.00 H new ATOM 0 HD22 LEU A 39 1.047 -4.504 -9.130 1.00 0.00 H new ATOM 0 HD23 LEU A 39 1.056 -6.158 -9.788 1.00 0.00 H new ATOM 561 N VAL A 40 0.511 -3.093 -5.892 1.00 0.00 N ATOM 562 CA VAL A 40 -0.195 -2.173 -5.009 1.00 0.00 C ATOM 563 C VAL A 40 -1.571 -1.824 -5.565 1.00 0.00 C ATOM 564 O VAL A 40 -1.688 -1.291 -6.669 1.00 0.00 O ATOM 565 CB VAL A 40 0.605 -0.874 -4.796 1.00 0.00 C ATOM 566 CG1 VAL A 40 -0.269 0.193 -4.154 1.00 0.00 C ATOM 567 CG2 VAL A 40 1.840 -1.142 -3.949 1.00 0.00 C ATOM 0 H VAL A 40 0.762 -2.698 -6.799 1.00 0.00 H new ATOM 0 HA VAL A 40 -0.311 -2.680 -4.051 1.00 0.00 H new ATOM 0 HB VAL A 40 0.931 -0.506 -5.769 1.00 0.00 H new ATOM 0 HG11 VAL A 40 0.314 1.103 -4.011 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -1.120 0.404 -4.802 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -0.628 -0.163 -3.188 1.00 0.00 H new ATOM 0 HG21 VAL A 40 2.393 -0.213 -3.809 1.00 0.00 H new ATOM 0 HG22 VAL A 40 1.537 -1.534 -2.978 1.00 0.00 H new ATOM 0 HG23 VAL A 40 2.476 -1.870 -4.453 1.00 0.00 H new ATOM 577 N ARG A 41 -2.609 -2.127 -4.793 1.00 0.00 N ATOM 578 CA ARG A 41 -3.978 -1.846 -5.209 1.00 0.00 C ATOM 579 C ARG A 41 -4.576 -0.713 -4.380 1.00 0.00 C ATOM 580 O ARG A 41 -4.808 -0.864 -3.180 1.00 0.00 O ATOM 581 CB ARG A 41 -4.842 -3.101 -5.076 1.00 0.00 C ATOM 582 CG ARG A 41 -4.696 -4.067 -6.240 1.00 0.00 C ATOM 583 CD ARG A 41 -5.153 -5.468 -5.862 1.00 0.00 C ATOM 584 NE ARG A 41 -6.609 -5.579 -5.833 1.00 0.00 N ATOM 585 CZ ARG A 41 -7.259 -6.735 -5.913 1.00 0.00 C ATOM 586 NH1 ARG A 41 -6.586 -7.872 -6.027 1.00 0.00 N ATOM 587 NH2 ARG A 41 -8.586 -6.755 -5.879 1.00 0.00 N ATOM 0 H ARG A 41 -2.528 -2.567 -3.876 1.00 0.00 H new ATOM 0 HA ARG A 41 -3.958 -1.537 -6.254 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -4.579 -3.616 -4.152 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -5.887 -2.805 -4.990 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -5.281 -3.709 -7.087 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -3.655 -4.097 -6.561 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -4.749 -6.186 -6.575 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -4.750 -5.729 -4.884 1.00 0.00 H new ATOM 0 HE ARG A 41 -7.156 -4.723 -5.747 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -5.566 -7.861 -6.053 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -7.088 -8.758 -6.088 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -9.107 -5.883 -5.791 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -9.084 -7.643 -5.940 1.00 0.00 H new ATOM 601 N CYS A 42 -4.824 0.420 -5.028 1.00 0.00 N ATOM 602 CA CYS A 42 -5.394 1.579 -4.350 1.00 0.00 C ATOM 603 C CYS A 42 -6.912 1.600 -4.493 1.00 0.00 C ATOM 604 O CYS A 42 -7.440 1.680 -5.602 1.00 0.00 O ATOM 605 CB CYS A 42 -4.798 2.870 -4.915 1.00 0.00 C ATOM 606 SG CYS A 42 -5.102 4.331 -3.894 1.00 0.00 S ATOM 0 H CYS A 42 -4.639 0.561 -6.021 1.00 0.00 H new ATOM 0 HA CYS A 42 -5.148 1.507 -3.291 1.00 0.00 H new ATOM 0 HB2 CYS A 42 -3.722 2.740 -5.033 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -5.209 3.043 -5.910 1.00 0.00 H new ATOM 0 HG CYS A 42 -4.748 5.398 -4.547 1.00 0.00 H new ATOM 612 N SER A 43 -7.609 1.527 -3.364 1.00 0.00 N ATOM 613 CA SER A 43 -9.067 1.531 -3.363 1.00 0.00 C ATOM 614 C SER A 43 -9.607 2.329 -2.180 1.00 0.00 C ATOM 615 O SER A 43 -9.059 2.302 -1.078 1.00 0.00 O ATOM 616 CB SER A 43 -9.603 0.099 -3.315 1.00 0.00 C ATOM 617 OG SER A 43 -10.920 0.030 -3.833 1.00 0.00 O ATOM 0 H SER A 43 -7.187 1.464 -2.437 1.00 0.00 H new ATOM 0 HA SER A 43 -9.405 2.006 -4.284 1.00 0.00 H new ATOM 0 HB2 SER A 43 -8.948 -0.557 -3.889 1.00 0.00 H new ATOM 0 HB3 SER A 43 -9.594 -0.262 -2.286 1.00 0.00 H new ATOM 0 HG SER A 43 -11.239 -0.896 -3.793 1.00 0.00 H new ATOM 623 N PRO A 44 -10.709 3.058 -2.413 1.00 0.00 N ATOM 624 CA PRO A 44 -11.349 3.877 -1.379 1.00 0.00 C ATOM 625 C PRO A 44 -12.017 3.032 -0.300 1.00 0.00 C ATOM 626 O PRO A 44 -12.608 1.992 -0.590 1.00 0.00 O ATOM 627 CB PRO A 44 -12.397 4.675 -2.158 1.00 0.00 C ATOM 628 CG PRO A 44 -12.699 3.839 -3.354 1.00 0.00 C ATOM 629 CD PRO A 44 -11.415 3.137 -3.702 1.00 0.00 C ATOM 0 HA PRO A 44 -10.628 4.498 -0.847 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -13.291 4.845 -1.558 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -12.015 5.654 -2.446 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -13.491 3.121 -3.139 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -13.044 4.455 -4.184 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -11.599 2.148 -4.121 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -10.840 3.694 -4.442 1.00 0.00 H new ATOM 637 N ALA A 45 -11.919 3.485 0.945 1.00 0.00 N ATOM 638 CA ALA A 45 -12.517 2.771 2.067 1.00 0.00 C ATOM 639 C ALA A 45 -14.029 2.961 2.096 1.00 0.00 C ATOM 640 O ALA A 45 -14.769 2.069 2.511 1.00 0.00 O ATOM 641 CB ALA A 45 -11.899 3.237 3.377 1.00 0.00 C ATOM 0 H ALA A 45 -11.431 4.343 1.203 1.00 0.00 H new ATOM 0 HA ALA A 45 -12.314 1.708 1.939 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -12.354 2.696 4.207 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -10.826 3.043 3.363 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -12.073 4.306 3.502 1.00 0.00 H new ATOM 761 N ARG A 54 -7.400 0.283 -8.377 1.00 0.00 N ATOM 762 CA ARG A 54 -6.164 0.585 -9.090 1.00 0.00 C ATOM 763 C ARG A 54 -5.177 -0.573 -8.981 1.00 0.00 C ATOM 764 O ARG A 54 -5.232 -1.361 -8.037 1.00 0.00 O ATOM 765 CB ARG A 54 -5.531 1.863 -8.537 1.00 0.00 C ATOM 766 CG ARG A 54 -4.274 2.289 -9.277 1.00 0.00 C ATOM 767 CD ARG A 54 -3.902 3.729 -8.960 1.00 0.00 C ATOM 768 NE ARG A 54 -2.860 4.234 -9.850 1.00 0.00 N ATOM 769 CZ ARG A 54 -2.625 5.527 -10.047 1.00 0.00 C ATOM 770 NH1 ARG A 54 -3.354 6.440 -9.420 1.00 0.00 N ATOM 771 NH2 ARG A 54 -1.659 5.908 -10.873 1.00 0.00 N ATOM 0 HA ARG A 54 -6.408 0.734 -10.142 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -6.262 2.670 -8.585 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -5.290 1.713 -7.485 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -3.449 1.631 -9.004 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -4.428 2.180 -10.351 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -4.787 4.359 -9.044 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -3.560 3.796 -7.927 1.00 0.00 H new ATOM 0 HE ARG A 54 -2.281 3.557 -10.347 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -4.097 6.151 -8.784 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -3.171 7.432 -9.573 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -1.096 5.208 -11.357 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -1.479 6.901 -11.024 1.00 0.00 H new ATOM 785 N GLU A 55 -4.276 -0.670 -9.954 1.00 0.00 N ATOM 786 CA GLU A 55 -3.278 -1.733 -9.967 1.00 0.00 C ATOM 787 C GLU A 55 -1.938 -1.215 -10.482 1.00 0.00 C ATOM 788 O GLU A 55 -1.808 -0.854 -11.652 1.00 0.00 O ATOM 789 CB GLU A 55 -3.754 -2.899 -10.835 1.00 0.00 C ATOM 790 CG GLU A 55 -4.957 -3.631 -10.264 1.00 0.00 C ATOM 791 CD GLU A 55 -6.245 -2.844 -10.416 1.00 0.00 C ATOM 792 OE1 GLU A 55 -6.272 -1.902 -11.235 1.00 0.00 O ATOM 793 OE2 GLU A 55 -7.226 -3.172 -9.716 1.00 0.00 O ATOM 0 H GLU A 55 -4.217 -0.026 -10.743 1.00 0.00 H new ATOM 0 HA GLU A 55 -3.144 -2.083 -8.943 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -4.005 -2.524 -11.827 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -2.934 -3.607 -10.960 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -5.063 -4.594 -10.764 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -4.784 -3.838 -9.208 1.00 0.00 H new ATOM 800 N VAL A 56 -0.945 -1.181 -9.600 1.00 0.00 N ATOM 801 CA VAL A 56 0.386 -0.708 -9.964 1.00 0.00 C ATOM 802 C VAL A 56 1.463 -1.673 -9.483 1.00 0.00 C ATOM 803 O VAL A 56 1.223 -2.495 -8.600 1.00 0.00 O ATOM 804 CB VAL A 56 0.664 0.689 -9.380 1.00 0.00 C ATOM 805 CG1 VAL A 56 -0.352 1.697 -9.896 1.00 0.00 C ATOM 806 CG2 VAL A 56 0.655 0.642 -7.859 1.00 0.00 C ATOM 0 H VAL A 56 -1.036 -1.475 -8.628 1.00 0.00 H new ATOM 0 HA VAL A 56 0.415 -0.650 -11.052 1.00 0.00 H new ATOM 0 HB VAL A 56 1.654 1.009 -9.706 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -0.139 2.678 -9.472 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -0.292 1.751 -10.983 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -1.355 1.385 -9.603 1.00 0.00 H new ATOM 0 HG21 VAL A 56 0.853 1.638 -7.463 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -0.320 0.301 -7.511 1.00 0.00 H new ATOM 0 HG23 VAL A 56 1.425 -0.046 -7.512 1.00 0.00 H new ATOM 816 N GLN A 57 2.651 -1.565 -10.069 1.00 0.00 N ATOM 817 CA GLN A 57 3.766 -2.429 -9.699 1.00 0.00 C ATOM 818 C GLN A 57 4.973 -1.604 -9.265 1.00 0.00 C ATOM 819 O GLN A 57 5.305 -0.595 -9.888 1.00 0.00 O ATOM 820 CB GLN A 57 4.147 -3.335 -10.870 1.00 0.00 C ATOM 821 CG GLN A 57 3.349 -4.628 -10.924 1.00 0.00 C ATOM 822 CD GLN A 57 3.458 -5.325 -12.266 1.00 0.00 C ATOM 823 OE1 GLN A 57 4.556 -5.619 -12.739 1.00 0.00 O ATOM 824 NE2 GLN A 57 2.315 -5.595 -12.887 1.00 0.00 N ATOM 0 H GLN A 57 2.866 -0.888 -10.801 1.00 0.00 H new ATOM 0 HA GLN A 57 3.450 -3.047 -8.859 1.00 0.00 H new ATOM 0 HB2 GLN A 57 4.002 -2.789 -11.803 1.00 0.00 H new ATOM 0 HB3 GLN A 57 5.208 -3.575 -10.802 1.00 0.00 H new ATOM 0 HG2 GLN A 57 3.699 -5.300 -10.140 1.00 0.00 H new ATOM 0 HG3 GLN A 57 2.301 -4.413 -10.715 1.00 0.00 H new ATOM 0 HE21 GLN A 57 1.427 -5.333 -12.458 1.00 0.00 H new ATOM 0 HE22 GLN A 57 2.325 -6.064 -13.793 1.00 0.00 H new ATOM 833 N VAL A 58 5.627 -2.039 -8.193 1.00 0.00 N ATOM 834 CA VAL A 58 6.798 -1.341 -7.676 1.00 0.00 C ATOM 835 C VAL A 58 7.927 -2.318 -7.364 1.00 0.00 C ATOM 836 O VAL A 58 7.715 -3.340 -6.713 1.00 0.00 O ATOM 837 CB VAL A 58 6.459 -0.542 -6.403 1.00 0.00 C ATOM 838 CG1 VAL A 58 5.584 0.654 -6.742 1.00 0.00 C ATOM 839 CG2 VAL A 58 5.780 -1.437 -5.378 1.00 0.00 C ATOM 0 H VAL A 58 5.366 -2.872 -7.665 1.00 0.00 H new ATOM 0 HA VAL A 58 7.123 -0.650 -8.454 1.00 0.00 H new ATOM 0 HB VAL A 58 7.387 -0.171 -5.969 1.00 0.00 H new ATOM 0 HG11 VAL A 58 5.354 1.207 -5.831 1.00 0.00 H new ATOM 0 HG12 VAL A 58 6.112 1.305 -7.438 1.00 0.00 H new ATOM 0 HG13 VAL A 58 4.657 0.309 -7.200 1.00 0.00 H new ATOM 0 HG21 VAL A 58 5.548 -0.856 -4.485 1.00 0.00 H new ATOM 0 HG22 VAL A 58 4.859 -1.839 -5.799 1.00 0.00 H new ATOM 0 HG23 VAL A 58 6.446 -2.258 -5.114 1.00 0.00 H new ATOM 849 N GLY A 59 9.128 -1.995 -7.833 1.00 0.00 N ATOM 850 CA GLY A 59 10.273 -2.854 -7.594 1.00 0.00 C ATOM 851 C GLY A 59 10.659 -2.911 -6.129 1.00 0.00 C ATOM 852 O GLY A 59 11.334 -3.844 -5.694 1.00 0.00 O ATOM 0 H GLY A 59 9.329 -1.154 -8.374 1.00 0.00 H new ATOM 0 HA2 GLY A 59 10.048 -3.861 -7.947 1.00 0.00 H new ATOM 0 HA3 GLY A 59 11.121 -2.494 -8.176 1.00 0.00 H new ATOM 856 N ARG A 60 10.232 -1.910 -5.367 1.00 0.00 N ATOM 857 CA ARG A 60 10.540 -1.848 -3.943 1.00 0.00 C ATOM 858 C ARG A 60 9.270 -1.980 -3.106 1.00 0.00 C ATOM 859 O ARG A 60 8.166 -1.677 -3.558 1.00 0.00 O ATOM 860 CB ARG A 60 11.249 -0.535 -3.609 1.00 0.00 C ATOM 861 CG ARG A 60 12.053 0.034 -4.767 1.00 0.00 C ATOM 862 CD ARG A 60 13.256 0.823 -4.275 1.00 0.00 C ATOM 863 NE ARG A 60 12.883 2.157 -3.811 1.00 0.00 N ATOM 864 CZ ARG A 60 13.763 3.071 -3.418 1.00 0.00 C ATOM 865 NH1 ARG A 60 15.060 2.798 -3.435 1.00 0.00 N ATOM 866 NH2 ARG A 60 13.346 4.263 -3.009 1.00 0.00 N ATOM 0 H ARG A 60 9.672 -1.130 -5.712 1.00 0.00 H new ATOM 0 HA ARG A 60 11.201 -2.681 -3.703 1.00 0.00 H new ATOM 0 HB2 ARG A 60 10.507 0.200 -3.297 1.00 0.00 H new ATOM 0 HB3 ARG A 60 11.914 -0.696 -2.761 1.00 0.00 H new ATOM 0 HG2 ARG A 60 12.388 -0.778 -5.412 1.00 0.00 H new ATOM 0 HG3 ARG A 60 11.416 0.679 -5.372 1.00 0.00 H new ATOM 0 HD2 ARG A 60 13.739 0.279 -3.463 1.00 0.00 H new ATOM 0 HD3 ARG A 60 13.986 0.910 -5.080 1.00 0.00 H new ATOM 0 HE ARG A 60 11.893 2.400 -3.788 1.00 0.00 H new ATOM 0 HH11 ARG A 60 15.385 1.884 -3.751 1.00 0.00 H new ATOM 0 HH12 ARG A 60 15.733 3.502 -3.133 1.00 0.00 H new ATOM 0 HH21 ARG A 60 12.349 4.478 -2.996 1.00 0.00 H new ATOM 0 HH22 ARG A 60 14.023 4.964 -2.707 1.00 0.00 H new ATOM 880 N PRO A 61 9.430 -2.443 -1.858 1.00 0.00 N ATOM 881 CA PRO A 61 8.308 -2.626 -0.932 1.00 0.00 C ATOM 882 C PRO A 61 7.717 -1.298 -0.469 1.00 0.00 C ATOM 883 O PRO A 61 6.811 -1.269 0.364 1.00 0.00 O ATOM 884 CB PRO A 61 8.939 -3.371 0.247 1.00 0.00 C ATOM 885 CG PRO A 61 10.381 -3.000 0.201 1.00 0.00 C ATOM 886 CD PRO A 61 10.717 -2.825 -1.254 1.00 0.00 C ATOM 0 HA PRO A 61 7.479 -3.160 -1.396 1.00 0.00 H new ATOM 0 HB2 PRO A 61 8.484 -3.075 1.192 1.00 0.00 H new ATOM 0 HB3 PRO A 61 8.804 -4.448 0.152 1.00 0.00 H new ATOM 0 HG2 PRO A 61 10.566 -2.081 0.757 1.00 0.00 H new ATOM 0 HG3 PRO A 61 10.998 -3.776 0.654 1.00 0.00 H new ATOM 0 HD2 PRO A 61 11.474 -2.055 -1.402 1.00 0.00 H new ATOM 0 HD3 PRO A 61 11.108 -3.745 -1.689 1.00 0.00 H new ATOM 894 N GLU A 62 8.236 -0.202 -1.014 1.00 0.00 N ATOM 895 CA GLU A 62 7.758 1.128 -0.655 1.00 0.00 C ATOM 896 C GLU A 62 7.083 1.803 -1.845 1.00 0.00 C ATOM 897 O GLU A 62 7.703 2.012 -2.888 1.00 0.00 O ATOM 898 CB GLU A 62 8.918 1.992 -0.154 1.00 0.00 C ATOM 899 CG GLU A 62 9.830 2.488 -1.263 1.00 0.00 C ATOM 900 CD GLU A 62 11.223 2.824 -0.766 1.00 0.00 C ATOM 901 OE1 GLU A 62 11.841 1.965 -0.103 1.00 0.00 O ATOM 902 OE2 GLU A 62 11.694 3.948 -1.040 1.00 0.00 O ATOM 0 H GLU A 62 8.986 -0.209 -1.705 1.00 0.00 H new ATOM 0 HA GLU A 62 7.024 1.020 0.143 1.00 0.00 H new ATOM 0 HB2 GLU A 62 8.515 2.850 0.384 1.00 0.00 H new ATOM 0 HB3 GLU A 62 9.507 1.416 0.559 1.00 0.00 H new ATOM 0 HG2 GLU A 62 9.899 1.726 -2.039 1.00 0.00 H new ATOM 0 HG3 GLU A 62 9.389 3.373 -1.723 1.00 0.00 H new ATOM 909 N VAL A 63 5.809 2.142 -1.681 1.00 0.00 N ATOM 910 CA VAL A 63 5.048 2.794 -2.741 1.00 0.00 C ATOM 911 C VAL A 63 4.535 4.157 -2.290 1.00 0.00 C ATOM 912 O VAL A 63 4.298 4.382 -1.102 1.00 0.00 O ATOM 913 CB VAL A 63 3.854 1.930 -3.188 1.00 0.00 C ATOM 914 CG1 VAL A 63 2.858 1.766 -2.051 1.00 0.00 C ATOM 915 CG2 VAL A 63 3.185 2.540 -4.411 1.00 0.00 C ATOM 0 H VAL A 63 5.281 1.976 -0.824 1.00 0.00 H new ATOM 0 HA VAL A 63 5.727 2.925 -3.584 1.00 0.00 H new ATOM 0 HB VAL A 63 4.224 0.941 -3.459 1.00 0.00 H new ATOM 0 HG11 VAL A 63 2.021 1.153 -2.386 1.00 0.00 H new ATOM 0 HG12 VAL A 63 3.347 1.282 -1.206 1.00 0.00 H new ATOM 0 HG13 VAL A 63 2.490 2.746 -1.745 1.00 0.00 H new ATOM 0 HG21 VAL A 63 2.343 1.917 -4.714 1.00 0.00 H new ATOM 0 HG22 VAL A 63 2.827 3.541 -4.169 1.00 0.00 H new ATOM 0 HG23 VAL A 63 3.905 2.600 -5.228 1.00 0.00 H new ATOM 925 N LEU A 64 4.364 5.064 -3.245 1.00 0.00 N ATOM 926 CA LEU A 64 3.878 6.407 -2.947 1.00 0.00 C ATOM 927 C LEU A 64 2.760 6.806 -3.905 1.00 0.00 C ATOM 928 O LEU A 64 2.980 6.951 -5.108 1.00 0.00 O ATOM 929 CB LEU A 64 5.023 7.417 -3.034 1.00 0.00 C ATOM 930 CG LEU A 64 4.634 8.888 -2.879 1.00 0.00 C ATOM 931 CD1 LEU A 64 4.026 9.137 -1.508 1.00 0.00 C ATOM 932 CD2 LEU A 64 5.844 9.785 -3.099 1.00 0.00 C ATOM 0 H LEU A 64 4.555 4.894 -4.233 1.00 0.00 H new ATOM 0 HA LEU A 64 3.480 6.405 -1.932 1.00 0.00 H new ATOM 0 HB2 LEU A 64 5.756 7.173 -2.265 1.00 0.00 H new ATOM 0 HB3 LEU A 64 5.518 7.292 -3.997 1.00 0.00 H new ATOM 0 HG LEU A 64 3.886 9.128 -3.635 1.00 0.00 H new ATOM 0 HD11 LEU A 64 3.755 10.189 -1.416 1.00 0.00 H new ATOM 0 HD12 LEU A 64 3.135 8.521 -1.388 1.00 0.00 H new ATOM 0 HD13 LEU A 64 4.751 8.880 -0.736 1.00 0.00 H new ATOM 0 HD21 LEU A 64 5.549 10.828 -2.985 1.00 0.00 H new ATOM 0 HD22 LEU A 64 6.614 9.543 -2.366 1.00 0.00 H new ATOM 0 HD23 LEU A 64 6.236 9.627 -4.103 1.00 0.00 H new ATOM 944 N LEU A 65 1.560 6.984 -3.364 1.00 0.00 N ATOM 945 CA LEU A 65 0.406 7.369 -4.170 1.00 0.00 C ATOM 946 C LEU A 65 0.204 8.881 -4.143 1.00 0.00 C ATOM 947 O LEU A 65 0.077 9.482 -3.076 1.00 0.00 O ATOM 948 CB LEU A 65 -0.854 6.665 -3.662 1.00 0.00 C ATOM 949 CG LEU A 65 -0.760 5.147 -3.513 1.00 0.00 C ATOM 950 CD1 LEU A 65 -2.020 4.595 -2.864 1.00 0.00 C ATOM 951 CD2 LEU A 65 -0.525 4.491 -4.866 1.00 0.00 C ATOM 0 H LEU A 65 1.360 6.868 -2.370 1.00 0.00 H new ATOM 0 HA LEU A 65 0.594 7.064 -5.199 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -1.118 7.089 -2.693 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -1.673 6.893 -4.344 1.00 0.00 H new ATOM 0 HG LEU A 65 0.088 4.917 -2.868 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -1.935 3.513 -2.766 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -2.146 5.040 -1.877 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -2.884 4.836 -3.483 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -0.461 3.410 -4.740 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -1.352 4.730 -5.535 1.00 0.00 H new ATOM 0 HD23 LEU A 65 0.406 4.862 -5.294 1.00 0.00 H new ATOM 963 N ASP A 66 0.172 9.489 -5.324 1.00 0.00 N ATOM 964 CA ASP A 66 -0.019 10.930 -5.437 1.00 0.00 C ATOM 965 C ASP A 66 -1.430 11.255 -5.916 1.00 0.00 C ATOM 966 O ASP A 66 -2.120 10.403 -6.473 1.00 0.00 O ATOM 967 CB ASP A 66 1.010 11.528 -6.398 1.00 0.00 C ATOM 968 CG ASP A 66 0.844 11.016 -7.816 1.00 0.00 C ATOM 969 OD1 ASP A 66 1.379 9.929 -8.120 1.00 0.00 O ATOM 970 OD2 ASP A 66 0.179 11.701 -8.620 1.00 0.00 O ATOM 0 H ASP A 66 0.276 9.006 -6.216 1.00 0.00 H new ATOM 0 HA ASP A 66 0.120 11.369 -4.449 1.00 0.00 H new ATOM 0 HB2 ASP A 66 0.918 12.614 -6.394 1.00 0.00 H new ATOM 0 HB3 ASP A 66 2.014 11.291 -6.044 1.00 0.00 H new ATOM 975 N GLY A 67 -1.854 12.496 -5.693 1.00 0.00 N ATOM 976 CA GLY A 67 -3.182 12.912 -6.106 1.00 0.00 C ATOM 977 C GLY A 67 -4.273 12.311 -5.242 1.00 0.00 C ATOM 978 O GLY A 67 -5.059 11.485 -5.706 1.00 0.00 O ATOM 0 H GLY A 67 -1.302 13.220 -5.234 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -3.248 13.999 -6.065 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -3.344 12.622 -7.144 1.00 0.00 H new ATOM 982 N LEU A 68 -4.321 12.725 -3.981 1.00 0.00 N ATOM 983 CA LEU A 68 -5.323 12.222 -3.048 1.00 0.00 C ATOM 984 C LEU A 68 -5.982 13.367 -2.286 1.00 0.00 C ATOM 985 O LEU A 68 -5.586 14.524 -2.421 1.00 0.00 O ATOM 986 CB LEU A 68 -4.685 11.240 -2.064 1.00 0.00 C ATOM 987 CG LEU A 68 -3.878 10.098 -2.683 1.00 0.00 C ATOM 988 CD1 LEU A 68 -2.853 9.570 -1.691 1.00 0.00 C ATOM 989 CD2 LEU A 68 -4.802 8.981 -3.145 1.00 0.00 C ATOM 0 H LEU A 68 -3.678 13.408 -3.581 1.00 0.00 H new ATOM 0 HA LEU A 68 -6.091 11.704 -3.623 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -4.031 11.800 -1.396 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -5.475 10.808 -1.449 1.00 0.00 H new ATOM 0 HG LEU A 68 -3.346 10.484 -3.552 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -2.288 8.758 -2.149 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -2.171 10.373 -1.410 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -3.364 9.200 -0.802 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -4.210 8.177 -3.583 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -5.362 8.597 -2.293 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -5.496 9.368 -3.891 1.00 0.00 H new ATOM 1001 N GLU A 69 -6.988 13.035 -1.483 1.00 0.00 N ATOM 1002 CA GLU A 69 -7.701 14.037 -0.698 1.00 0.00 C ATOM 1003 C GLU A 69 -7.394 13.882 0.789 1.00 0.00 C ATOM 1004 O GLU A 69 -7.247 12.774 1.306 1.00 0.00 O ATOM 1005 CB GLU A 69 -9.208 13.924 -0.934 1.00 0.00 C ATOM 1006 CG GLU A 69 -9.614 14.124 -2.384 1.00 0.00 C ATOM 1007 CD GLU A 69 -8.895 15.289 -3.036 1.00 0.00 C ATOM 1008 OE1 GLU A 69 -7.764 15.087 -3.527 1.00 0.00 O ATOM 1009 OE2 GLU A 69 -9.461 16.401 -3.055 1.00 0.00 O ATOM 0 H GLU A 69 -7.328 12.081 -1.359 1.00 0.00 H new ATOM 0 HA GLU A 69 -7.363 15.022 -1.020 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -9.546 12.942 -0.603 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -9.720 14.662 -0.317 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -9.405 13.213 -2.945 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -10.690 14.291 -2.436 1.00 0.00 H new ATOM 1016 N PRO A 70 -7.295 15.019 1.494 1.00 0.00 N ATOM 1017 CA PRO A 70 -7.006 15.036 2.931 1.00 0.00 C ATOM 1018 C PRO A 70 -8.168 14.506 3.763 1.00 0.00 C ATOM 1019 O PRO A 70 -9.310 14.481 3.307 1.00 0.00 O ATOM 1020 CB PRO A 70 -6.769 16.519 3.226 1.00 0.00 C ATOM 1021 CG PRO A 70 -7.528 17.243 2.168 1.00 0.00 C ATOM 1022 CD PRO A 70 -7.459 16.374 0.942 1.00 0.00 C ATOM 0 HA PRO A 70 -6.161 14.396 3.185 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -7.125 16.786 4.221 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -5.708 16.765 3.190 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -8.562 17.407 2.472 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -7.092 18.224 1.977 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -8.364 16.456 0.340 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -6.623 16.650 0.300 1.00 0.00 H new ATOM 1030 N GLY A 71 -7.869 14.083 4.988 1.00 0.00 N ATOM 1031 CA GLY A 71 -8.900 13.560 5.864 1.00 0.00 C ATOM 1032 C GLY A 71 -9.702 12.448 5.217 1.00 0.00 C ATOM 1033 O GLY A 71 -10.923 12.389 5.361 1.00 0.00 O ATOM 0 H GLY A 71 -6.931 14.093 5.389 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -8.440 13.187 6.779 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -9.572 14.368 6.152 1.00 0.00 H new ATOM 1037 N ARG A 72 -9.014 11.564 4.501 1.00 0.00 N ATOM 1038 CA ARG A 72 -9.670 10.450 3.827 1.00 0.00 C ATOM 1039 C ARG A 72 -8.888 9.156 4.029 1.00 0.00 C ATOM 1040 O ARG A 72 -7.660 9.141 3.945 1.00 0.00 O ATOM 1041 CB ARG A 72 -9.813 10.744 2.332 1.00 0.00 C ATOM 1042 CG ARG A 72 -10.749 9.788 1.611 1.00 0.00 C ATOM 1043 CD ARG A 72 -12.181 10.298 1.618 1.00 0.00 C ATOM 1044 NE ARG A 72 -12.876 9.959 2.857 1.00 0.00 N ATOM 1045 CZ ARG A 72 -14.198 9.985 2.989 1.00 0.00 C ATOM 1046 NH1 ARG A 72 -14.963 10.331 1.964 1.00 0.00 N ATOM 1047 NH2 ARG A 72 -14.756 9.663 4.149 1.00 0.00 N ATOM 0 H ARG A 72 -8.003 11.598 4.373 1.00 0.00 H new ATOM 0 HA ARG A 72 -10.661 10.327 4.263 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -10.178 11.763 2.204 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -8.829 10.697 1.865 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -10.414 9.656 0.582 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -10.708 8.809 2.088 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -12.181 11.380 1.487 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -12.721 9.874 0.772 1.00 0.00 H new ATOM 0 HE ARG A 72 -12.316 9.687 3.665 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -14.537 10.578 1.071 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -15.977 10.350 2.068 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -14.170 9.395 4.940 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -15.771 9.683 4.250 1.00 0.00 H new ATOM 1061 N ASP A 73 -9.608 8.072 4.295 1.00 0.00 N ATOM 1062 CA ASP A 73 -8.982 6.772 4.509 1.00 0.00 C ATOM 1063 C ASP A 73 -8.964 5.959 3.218 1.00 0.00 C ATOM 1064 O ASP A 73 -9.939 5.946 2.467 1.00 0.00 O ATOM 1065 CB ASP A 73 -9.722 5.999 5.602 1.00 0.00 C ATOM 1066 CG ASP A 73 -9.529 6.612 6.976 1.00 0.00 C ATOM 1067 OD1 ASP A 73 -8.363 6.793 7.386 1.00 0.00 O ATOM 1068 OD2 ASP A 73 -10.543 6.911 7.639 1.00 0.00 O ATOM 0 H ASP A 73 -10.625 8.067 4.368 1.00 0.00 H new ATOM 0 HA ASP A 73 -7.953 6.940 4.827 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -10.786 5.970 5.366 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -9.371 4.967 5.615 1.00 0.00 H new ATOM 1073 N TYR A 74 -7.848 5.283 2.967 1.00 0.00 N ATOM 1074 CA TYR A 74 -7.701 4.470 1.765 1.00 0.00 C ATOM 1075 C TYR A 74 -7.201 3.071 2.111 1.00 0.00 C ATOM 1076 O TYR A 74 -6.341 2.905 2.976 1.00 0.00 O ATOM 1077 CB TYR A 74 -6.737 5.141 0.785 1.00 0.00 C ATOM 1078 CG TYR A 74 -7.236 6.466 0.255 1.00 0.00 C ATOM 1079 CD1 TYR A 74 -8.036 6.526 -0.879 1.00 0.00 C ATOM 1080 CD2 TYR A 74 -6.909 7.658 0.890 1.00 0.00 C ATOM 1081 CE1 TYR A 74 -8.494 7.734 -1.367 1.00 0.00 C ATOM 1082 CE2 TYR A 74 -7.364 8.871 0.410 1.00 0.00 C ATOM 1083 CZ TYR A 74 -8.155 8.904 -0.719 1.00 0.00 C ATOM 1084 OH TYR A 74 -8.611 10.110 -1.202 1.00 0.00 O ATOM 0 H TYR A 74 -7.032 5.282 3.579 1.00 0.00 H new ATOM 0 HA TYR A 74 -8.681 4.380 1.296 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -5.778 5.295 1.280 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -6.558 4.468 -0.054 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -8.304 5.612 -1.388 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -6.289 7.636 1.774 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -9.114 7.763 -2.251 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -7.102 9.788 0.916 1.00 0.00 H new ATOM 0 HH TYR A 74 -8.720 10.740 -0.459 1.00 0.00 H new ATOM 1094 N GLU A 75 -7.747 2.069 1.429 1.00 0.00 N ATOM 1095 CA GLU A 75 -7.356 0.684 1.665 1.00 0.00 C ATOM 1096 C GLU A 75 -6.358 0.214 0.610 1.00 0.00 C ATOM 1097 O GLU A 75 -6.743 -0.217 -0.477 1.00 0.00 O ATOM 1098 CB GLU A 75 -8.588 -0.224 1.658 1.00 0.00 C ATOM 1099 CG GLU A 75 -9.585 0.094 2.760 1.00 0.00 C ATOM 1100 CD GLU A 75 -10.546 -1.048 3.025 1.00 0.00 C ATOM 1101 OE1 GLU A 75 -11.387 -1.331 2.145 1.00 0.00 O ATOM 1102 OE2 GLU A 75 -10.458 -1.658 4.110 1.00 0.00 O ATOM 0 H GLU A 75 -8.460 2.190 0.710 1.00 0.00 H new ATOM 0 HA GLU A 75 -6.878 0.629 2.643 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -9.087 -0.138 0.693 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -8.266 -1.260 1.759 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -9.045 0.329 3.677 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -10.151 0.984 2.487 1.00 0.00 H new ATOM 1109 N VAL A 76 -5.073 0.300 0.940 1.00 0.00 N ATOM 1110 CA VAL A 76 -4.019 -0.117 0.023 1.00 0.00 C ATOM 1111 C VAL A 76 -3.611 -1.564 0.277 1.00 0.00 C ATOM 1112 O VAL A 76 -2.911 -1.862 1.244 1.00 0.00 O ATOM 1113 CB VAL A 76 -2.777 0.785 0.149 1.00 0.00 C ATOM 1114 CG1 VAL A 76 -1.671 0.303 -0.777 1.00 0.00 C ATOM 1115 CG2 VAL A 76 -3.138 2.233 -0.146 1.00 0.00 C ATOM 0 H VAL A 76 -4.737 0.655 1.835 1.00 0.00 H new ATOM 0 HA VAL A 76 -4.423 -0.028 -0.986 1.00 0.00 H new ATOM 0 HB VAL A 76 -2.410 0.728 1.174 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -0.802 0.952 -0.674 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -1.395 -0.718 -0.513 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -2.023 0.328 -1.808 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -2.249 2.856 -0.052 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -3.530 2.311 -1.160 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -3.894 2.571 0.563 1.00 0.00 H new ATOM 1125 N SER A 77 -4.053 -2.460 -0.600 1.00 0.00 N ATOM 1126 CA SER A 77 -3.737 -3.877 -0.470 1.00 0.00 C ATOM 1127 C SER A 77 -2.480 -4.228 -1.262 1.00 0.00 C ATOM 1128 O SER A 77 -2.449 -4.104 -2.486 1.00 0.00 O ATOM 1129 CB SER A 77 -4.912 -4.730 -0.953 1.00 0.00 C ATOM 1130 OG SER A 77 -6.148 -4.173 -0.542 1.00 0.00 O ATOM 0 H SER A 77 -4.631 -2.229 -1.408 1.00 0.00 H new ATOM 0 HA SER A 77 -3.553 -4.088 0.583 1.00 0.00 H new ATOM 0 HB2 SER A 77 -4.887 -4.807 -2.040 1.00 0.00 H new ATOM 0 HB3 SER A 77 -4.817 -5.742 -0.560 1.00 0.00 H new ATOM 0 HG SER A 77 -6.883 -4.735 -0.864 1.00 0.00 H new ATOM 1136 N VAL A 78 -1.445 -4.668 -0.552 1.00 0.00 N ATOM 1137 CA VAL A 78 -0.186 -5.038 -1.187 1.00 0.00 C ATOM 1138 C VAL A 78 -0.095 -6.547 -1.389 1.00 0.00 C ATOM 1139 O VAL A 78 -0.542 -7.323 -0.545 1.00 0.00 O ATOM 1140 CB VAL A 78 1.022 -4.569 -0.353 1.00 0.00 C ATOM 1141 CG1 VAL A 78 2.318 -4.802 -1.114 1.00 0.00 C ATOM 1142 CG2 VAL A 78 0.871 -3.103 0.024 1.00 0.00 C ATOM 0 H VAL A 78 -1.454 -4.777 0.462 1.00 0.00 H new ATOM 0 HA VAL A 78 -0.163 -4.542 -2.157 1.00 0.00 H new ATOM 0 HB VAL A 78 1.058 -5.155 0.566 1.00 0.00 H new ATOM 0 HG11 VAL A 78 3.160 -4.465 -0.510 1.00 0.00 H new ATOM 0 HG12 VAL A 78 2.428 -5.865 -1.329 1.00 0.00 H new ATOM 0 HG13 VAL A 78 2.296 -4.243 -2.050 1.00 0.00 H new ATOM 0 HG21 VAL A 78 1.733 -2.788 0.613 1.00 0.00 H new ATOM 0 HG22 VAL A 78 0.810 -2.499 -0.881 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -0.038 -2.970 0.611 1.00 0.00 H new ATOM 1152 N GLN A 79 0.487 -6.954 -2.512 1.00 0.00 N ATOM 1153 CA GLN A 79 0.636 -8.370 -2.825 1.00 0.00 C ATOM 1154 C GLN A 79 1.998 -8.648 -3.453 1.00 0.00 C ATOM 1155 O GLN A 79 2.291 -8.183 -4.554 1.00 0.00 O ATOM 1156 CB GLN A 79 -0.478 -8.825 -3.770 1.00 0.00 C ATOM 1157 CG GLN A 79 -0.235 -10.196 -4.380 1.00 0.00 C ATOM 1158 CD GLN A 79 -1.503 -10.828 -4.919 1.00 0.00 C ATOM 1159 OE1 GLN A 79 -2.506 -10.147 -5.137 1.00 0.00 O ATOM 1160 NE2 GLN A 79 -1.466 -12.138 -5.136 1.00 0.00 N ATOM 0 H GLN A 79 0.863 -6.323 -3.220 1.00 0.00 H new ATOM 0 HA GLN A 79 0.564 -8.932 -1.894 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -1.422 -8.841 -3.225 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -0.585 -8.094 -4.571 1.00 0.00 H new ATOM 0 HG2 GLN A 79 0.493 -10.107 -5.186 1.00 0.00 H new ATOM 0 HG3 GLN A 79 0.202 -10.852 -3.627 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -0.614 -12.663 -4.941 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -2.290 -12.619 -5.497 1.00 0.00 H new ATOM 1169 N SER A 80 2.825 -9.410 -2.746 1.00 0.00 N ATOM 1170 CA SER A 80 4.158 -9.747 -3.232 1.00 0.00 C ATOM 1171 C SER A 80 4.077 -10.550 -4.527 1.00 0.00 C ATOM 1172 O SER A 80 3.238 -11.441 -4.667 1.00 0.00 O ATOM 1173 CB SER A 80 4.925 -10.542 -2.173 1.00 0.00 C ATOM 1174 OG SER A 80 4.915 -9.870 -0.925 1.00 0.00 O ATOM 0 H SER A 80 2.596 -9.806 -1.834 1.00 0.00 H new ATOM 0 HA SER A 80 4.690 -8.817 -3.434 1.00 0.00 H new ATOM 0 HB2 SER A 80 4.479 -11.530 -2.061 1.00 0.00 H new ATOM 0 HB3 SER A 80 5.954 -10.692 -2.501 1.00 0.00 H new ATOM 0 HG SER A 80 5.766 -10.023 -0.464 1.00 0.00 H new ATOM 1180 N LEU A 81 4.955 -10.228 -5.471 1.00 0.00 N ATOM 1181 CA LEU A 81 4.984 -10.919 -6.755 1.00 0.00 C ATOM 1182 C LEU A 81 6.388 -11.424 -7.070 1.00 0.00 C ATOM 1183 O LEU A 81 7.368 -10.692 -6.928 1.00 0.00 O ATOM 1184 CB LEU A 81 4.503 -9.987 -7.869 1.00 0.00 C ATOM 1185 CG LEU A 81 3.031 -9.577 -7.813 1.00 0.00 C ATOM 1186 CD1 LEU A 81 2.740 -8.491 -8.837 1.00 0.00 C ATOM 1187 CD2 LEU A 81 2.133 -10.784 -8.042 1.00 0.00 C ATOM 0 H LEU A 81 5.656 -9.493 -5.371 1.00 0.00 H new ATOM 0 HA LEU A 81 4.315 -11.777 -6.693 1.00 0.00 H new ATOM 0 HB2 LEU A 81 5.112 -9.083 -7.847 1.00 0.00 H new ATOM 0 HB3 LEU A 81 4.688 -10.473 -8.827 1.00 0.00 H new ATOM 0 HG LEU A 81 2.822 -9.177 -6.821 1.00 0.00 H new ATOM 0 HD11 LEU A 81 1.688 -8.212 -8.782 1.00 0.00 H new ATOM 0 HD12 LEU A 81 3.358 -7.618 -8.627 1.00 0.00 H new ATOM 0 HD13 LEU A 81 2.965 -8.863 -9.836 1.00 0.00 H new ATOM 0 HD21 LEU A 81 1.089 -10.474 -7.999 1.00 0.00 H new ATOM 0 HD22 LEU A 81 2.344 -11.214 -9.021 1.00 0.00 H new ATOM 0 HD23 LEU A 81 2.322 -11.530 -7.270 1.00 0.00 H new ATOM 1199 N ARG A 82 6.478 -12.678 -7.500 1.00 0.00 N ATOM 1200 CA ARG A 82 7.762 -13.281 -7.837 1.00 0.00 C ATOM 1201 C ARG A 82 7.681 -14.029 -9.164 1.00 0.00 C ATOM 1202 O ARG A 82 8.538 -13.870 -10.031 1.00 0.00 O ATOM 1203 CB ARG A 82 8.208 -14.235 -6.727 1.00 0.00 C ATOM 1204 CG ARG A 82 9.700 -14.522 -6.733 1.00 0.00 C ATOM 1205 CD ARG A 82 10.054 -15.656 -5.785 1.00 0.00 C ATOM 1206 NE ARG A 82 11.470 -16.007 -5.855 1.00 0.00 N ATOM 1207 CZ ARG A 82 12.013 -16.675 -6.867 1.00 0.00 C ATOM 1208 NH1 ARG A 82 11.262 -17.061 -7.889 1.00 0.00 N ATOM 1209 NH2 ARG A 82 13.309 -16.957 -6.858 1.00 0.00 N ATOM 0 H ARG A 82 5.677 -13.297 -7.623 1.00 0.00 H new ATOM 0 HA ARG A 82 8.496 -12.481 -7.936 1.00 0.00 H new ATOM 0 HB2 ARG A 82 7.932 -13.810 -5.762 1.00 0.00 H new ATOM 0 HB3 ARG A 82 7.665 -15.175 -6.828 1.00 0.00 H new ATOM 0 HG2 ARG A 82 10.018 -14.779 -7.743 1.00 0.00 H new ATOM 0 HG3 ARG A 82 10.245 -13.623 -6.446 1.00 0.00 H new ATOM 0 HD2 ARG A 82 9.802 -15.367 -4.765 1.00 0.00 H new ATOM 0 HD3 ARG A 82 9.451 -16.532 -6.026 1.00 0.00 H new ATOM 0 HE ARG A 82 12.075 -15.724 -5.085 1.00 0.00 H new ATOM 0 HH11 ARG A 82 10.265 -16.845 -7.900 1.00 0.00 H new ATOM 0 HH12 ARG A 82 11.681 -17.574 -8.665 1.00 0.00 H new ATOM 0 HH21 ARG A 82 13.890 -16.661 -6.074 1.00 0.00 H new ATOM 0 HH22 ARG A 82 13.725 -17.470 -7.635 1.00 0.00 H new ATOM 1223 N GLY A 83 6.643 -14.847 -9.314 1.00 0.00 N ATOM 1224 CA GLY A 83 6.469 -15.608 -10.537 1.00 0.00 C ATOM 1225 C GLY A 83 5.100 -15.405 -11.157 1.00 0.00 C ATOM 1226 O GLY A 83 4.531 -14.314 -11.114 1.00 0.00 O ATOM 0 H GLY A 83 5.920 -14.996 -8.610 1.00 0.00 H new ATOM 0 HA2 GLY A 83 7.236 -15.317 -11.255 1.00 0.00 H new ATOM 0 HA3 GLY A 83 6.615 -16.667 -10.326 1.00 0.00 H new ATOM 1230 N PRO A 84 4.551 -16.475 -11.750 1.00 0.00 N ATOM 1231 CA PRO A 84 3.234 -16.434 -12.394 1.00 0.00 C ATOM 1232 C PRO A 84 2.100 -16.290 -11.385 1.00 0.00 C ATOM 1233 O PRO A 84 0.954 -16.043 -11.758 1.00 0.00 O ATOM 1234 CB PRO A 84 3.146 -17.786 -13.107 1.00 0.00 C ATOM 1235 CG PRO A 84 4.054 -18.681 -12.337 1.00 0.00 C ATOM 1236 CD PRO A 84 5.172 -17.807 -11.839 1.00 0.00 C ATOM 0 HA PRO A 84 3.132 -15.577 -13.060 1.00 0.00 H new ATOM 0 HB2 PRO A 84 2.124 -18.166 -13.110 1.00 0.00 H new ATOM 0 HB3 PRO A 84 3.459 -17.706 -14.148 1.00 0.00 H new ATOM 0 HG2 PRO A 84 3.527 -19.151 -11.507 1.00 0.00 H new ATOM 0 HG3 PRO A 84 4.437 -19.484 -12.967 1.00 0.00 H new ATOM 0 HD2 PRO A 84 5.543 -18.143 -10.871 1.00 0.00 H new ATOM 0 HD3 PRO A 84 6.020 -17.810 -12.524 1.00 0.00 H new ATOM 1244 N GLU A 85 2.429 -16.444 -10.106 1.00 0.00 N ATOM 1245 CA GLU A 85 1.436 -16.331 -9.044 1.00 0.00 C ATOM 1246 C GLU A 85 1.897 -15.350 -7.970 1.00 0.00 C ATOM 1247 O GLU A 85 3.074 -15.312 -7.612 1.00 0.00 O ATOM 1248 CB GLU A 85 1.168 -17.701 -8.417 1.00 0.00 C ATOM 1249 CG GLU A 85 2.397 -18.329 -7.780 1.00 0.00 C ATOM 1250 CD GLU A 85 2.081 -19.624 -7.056 1.00 0.00 C ATOM 1251 OE1 GLU A 85 1.154 -19.626 -6.219 1.00 0.00 O ATOM 1252 OE2 GLU A 85 2.761 -20.636 -7.328 1.00 0.00 O ATOM 0 H GLU A 85 3.374 -16.647 -9.781 1.00 0.00 H new ATOM 0 HA GLU A 85 0.513 -15.954 -9.484 1.00 0.00 H new ATOM 0 HB2 GLU A 85 0.389 -17.599 -7.661 1.00 0.00 H new ATOM 0 HB3 GLU A 85 0.783 -18.373 -9.184 1.00 0.00 H new ATOM 0 HG2 GLU A 85 3.143 -18.521 -8.551 1.00 0.00 H new ATOM 0 HG3 GLU A 85 2.839 -17.623 -7.077 1.00 0.00 H new ATOM 1259 N GLY A 86 0.961 -14.556 -7.460 1.00 0.00 N ATOM 1260 CA GLY A 86 1.290 -13.584 -6.434 1.00 0.00 C ATOM 1261 C GLY A 86 1.086 -14.128 -5.034 1.00 0.00 C ATOM 1262 O GLY A 86 0.700 -15.284 -4.860 1.00 0.00 O ATOM 0 H GLY A 86 -0.020 -14.569 -7.739 1.00 0.00 H new ATOM 0 HA2 GLY A 86 2.328 -13.273 -6.552 1.00 0.00 H new ATOM 0 HA3 GLY A 86 0.674 -12.695 -6.569 1.00 0.00 H new ATOM 1266 N SER A 87 1.347 -13.294 -4.032 1.00 0.00 N ATOM 1267 CA SER A 87 1.194 -13.700 -2.640 1.00 0.00 C ATOM 1268 C SER A 87 -0.156 -13.252 -2.088 1.00 0.00 C ATOM 1269 O SER A 87 -0.934 -12.597 -2.780 1.00 0.00 O ATOM 1270 CB SER A 87 2.325 -13.116 -1.790 1.00 0.00 C ATOM 1271 OG SER A 87 2.174 -13.473 -0.427 1.00 0.00 O ATOM 0 H SER A 87 1.665 -12.333 -4.159 1.00 0.00 H new ATOM 0 HA SER A 87 1.241 -14.788 -2.597 1.00 0.00 H new ATOM 0 HB2 SER A 87 3.285 -13.476 -2.159 1.00 0.00 H new ATOM 0 HB3 SER A 87 2.333 -12.030 -1.886 1.00 0.00 H new ATOM 0 HG SER A 87 3.018 -13.840 -0.089 1.00 0.00 H new ATOM 1277 N GLU A 88 -0.425 -13.611 -0.837 1.00 0.00 N ATOM 1278 CA GLU A 88 -1.681 -13.248 -0.192 1.00 0.00 C ATOM 1279 C GLU A 88 -1.917 -11.742 -0.270 1.00 0.00 C ATOM 1280 O GLU A 88 -1.010 -10.977 -0.598 1.00 0.00 O ATOM 1281 CB GLU A 88 -1.679 -13.699 1.270 1.00 0.00 C ATOM 1282 CG GLU A 88 -3.042 -14.150 1.769 1.00 0.00 C ATOM 1283 CD GLU A 88 -3.235 -13.891 3.251 1.00 0.00 C ATOM 1284 OE1 GLU A 88 -3.414 -12.715 3.629 1.00 0.00 O ATOM 1285 OE2 GLU A 88 -3.206 -14.865 4.033 1.00 0.00 O ATOM 0 H GLU A 88 0.210 -14.153 -0.250 1.00 0.00 H new ATOM 0 HA GLU A 88 -2.490 -13.754 -0.720 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -0.969 -14.518 1.388 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -1.326 -12.878 1.894 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -3.820 -13.631 1.209 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -3.163 -15.215 1.571 1.00 0.00 H new ATOM 1292 N ALA A 89 -3.141 -11.324 0.034 1.00 0.00 N ATOM 1293 CA ALA A 89 -3.496 -9.911 -0.001 1.00 0.00 C ATOM 1294 C ALA A 89 -3.580 -9.331 1.407 1.00 0.00 C ATOM 1295 O ALA A 89 -4.398 -9.764 2.219 1.00 0.00 O ATOM 1296 CB ALA A 89 -4.816 -9.716 -0.732 1.00 0.00 C ATOM 0 H ALA A 89 -3.904 -11.944 0.307 1.00 0.00 H new ATOM 0 HA ALA A 89 -2.712 -9.379 -0.540 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -5.069 -8.656 -0.750 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -4.724 -10.085 -1.754 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -5.602 -10.267 -0.216 1.00 0.00 H new ATOM 1302 N ARG A 90 -2.728 -8.351 1.691 1.00 0.00 N ATOM 1303 CA ARG A 90 -2.704 -7.715 3.002 1.00 0.00 C ATOM 1304 C ARG A 90 -2.862 -6.202 2.874 1.00 0.00 C ATOM 1305 O ARG A 90 -2.005 -5.523 2.311 1.00 0.00 O ATOM 1306 CB ARG A 90 -1.398 -8.042 3.728 1.00 0.00 C ATOM 1307 CG ARG A 90 -1.189 -9.529 3.965 1.00 0.00 C ATOM 1308 CD ARG A 90 -1.891 -9.995 5.231 1.00 0.00 C ATOM 1309 NE ARG A 90 -2.078 -11.444 5.251 1.00 0.00 N ATOM 1310 CZ ARG A 90 -2.893 -12.068 6.093 1.00 0.00 C ATOM 1311 NH1 ARG A 90 -3.595 -11.374 6.979 1.00 0.00 N ATOM 1312 NH2 ARG A 90 -3.009 -13.389 6.050 1.00 0.00 N ATOM 0 H ARG A 90 -2.045 -7.980 1.030 1.00 0.00 H new ATOM 0 HA ARG A 90 -3.541 -8.104 3.582 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -0.562 -7.654 3.146 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -1.386 -7.525 4.687 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -1.566 -10.091 3.111 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -0.122 -9.740 4.040 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -1.308 -9.693 6.101 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -2.860 -9.503 5.310 1.00 0.00 H new ATOM 0 HE ARG A 90 -1.554 -12.007 4.581 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -3.509 -10.358 7.015 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -4.220 -11.856 7.625 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -2.472 -13.926 5.370 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -3.635 -13.867 6.697 1.00 0.00 H new ATOM 1326 N GLY A 91 -3.966 -5.681 3.403 1.00 0.00 N ATOM 1327 CA GLY A 91 -4.217 -4.253 3.337 1.00 0.00 C ATOM 1328 C GLY A 91 -4.128 -3.586 4.695 1.00 0.00 C ATOM 1329 O GLY A 91 -4.382 -4.217 5.722 1.00 0.00 O ATOM 0 H GLY A 91 -4.690 -6.222 3.876 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -3.497 -3.791 2.661 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -5.207 -4.080 2.915 1.00 0.00 H new ATOM 1333 N ILE A 92 -3.765 -2.308 4.702 1.00 0.00 N ATOM 1334 CA ILE A 92 -3.643 -1.556 5.944 1.00 0.00 C ATOM 1335 C ILE A 92 -4.405 -0.237 5.866 1.00 0.00 C ATOM 1336 O ILE A 92 -4.490 0.380 4.804 1.00 0.00 O ATOM 1337 CB ILE A 92 -2.169 -1.264 6.284 1.00 0.00 C ATOM 1338 CG1 ILE A 92 -2.075 -0.365 7.518 1.00 0.00 C ATOM 1339 CG2 ILE A 92 -1.470 -0.618 5.097 1.00 0.00 C ATOM 1340 CD1 ILE A 92 -0.657 -0.135 7.992 1.00 0.00 C ATOM 0 H ILE A 92 -3.550 -1.772 3.861 1.00 0.00 H new ATOM 0 HA ILE A 92 -4.073 -2.176 6.731 1.00 0.00 H new ATOM 0 HB ILE A 92 -1.669 -2.207 6.506 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -2.534 0.597 7.292 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -2.652 -0.812 8.328 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -0.429 -0.418 5.352 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -1.510 -1.291 4.241 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -1.969 0.318 4.846 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -0.667 0.511 8.870 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -0.200 -1.090 8.250 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -0.081 0.340 7.198 1.00 0.00 H new ATOM 1352 N ARG A 93 -4.956 0.190 6.997 1.00 0.00 N ATOM 1353 CA ARG A 93 -5.711 1.436 7.057 1.00 0.00 C ATOM 1354 C ARG A 93 -4.798 2.636 6.823 1.00 0.00 C ATOM 1355 O ARG A 93 -3.934 2.940 7.644 1.00 0.00 O ATOM 1356 CB ARG A 93 -6.409 1.569 8.412 1.00 0.00 C ATOM 1357 CG ARG A 93 -7.618 2.490 8.385 1.00 0.00 C ATOM 1358 CD ARG A 93 -8.789 1.853 7.653 1.00 0.00 C ATOM 1359 NE ARG A 93 -9.352 0.729 8.396 1.00 0.00 N ATOM 1360 CZ ARG A 93 -10.186 0.869 9.420 1.00 0.00 C ATOM 1361 NH1 ARG A 93 -10.551 2.079 9.821 1.00 0.00 N ATOM 1362 NH2 ARG A 93 -10.657 -0.202 10.045 1.00 0.00 N ATOM 0 H ARG A 93 -4.894 -0.309 7.885 1.00 0.00 H new ATOM 0 HA ARG A 93 -6.464 1.415 6.269 1.00 0.00 H new ATOM 0 HB2 ARG A 93 -6.723 0.581 8.748 1.00 0.00 H new ATOM 0 HB3 ARG A 93 -5.694 1.943 9.145 1.00 0.00 H new ATOM 0 HG2 ARG A 93 -7.914 2.733 9.405 1.00 0.00 H new ATOM 0 HG3 ARG A 93 -7.351 3.428 7.899 1.00 0.00 H new ATOM 0 HD2 ARG A 93 -9.563 2.602 7.487 1.00 0.00 H new ATOM 0 HD3 ARG A 93 -8.460 1.511 6.672 1.00 0.00 H new ATOM 0 HE ARG A 93 -9.090 -0.215 8.113 1.00 0.00 H new ATOM 0 HH11 ARG A 93 -10.191 2.905 9.343 1.00 0.00 H new ATOM 0 HH12 ARG A 93 -11.192 2.184 10.608 1.00 0.00 H new ATOM 0 HH21 ARG A 93 -10.379 -1.134 9.739 1.00 0.00 H new ATOM 0 HH22 ARG A 93 -11.297 -0.093 10.831 1.00 0.00 H new ATOM 1376 N ALA A 94 -4.997 3.313 5.697 1.00 0.00 N ATOM 1377 CA ALA A 94 -4.193 4.480 5.355 1.00 0.00 C ATOM 1378 C ALA A 94 -4.992 5.767 5.532 1.00 0.00 C ATOM 1379 O ALA A 94 -5.779 6.144 4.664 1.00 0.00 O ATOM 1380 CB ALA A 94 -3.679 4.367 3.928 1.00 0.00 C ATOM 0 H ALA A 94 -5.708 3.073 5.006 1.00 0.00 H new ATOM 0 HA ALA A 94 -3.341 4.516 6.034 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -3.080 5.245 3.686 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -3.065 3.472 3.832 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -4.523 4.303 3.241 1.00 0.00 H new ATOM 1386 N ARG A 95 -4.785 6.436 6.661 1.00 0.00 N ATOM 1387 CA ARG A 95 -5.487 7.680 6.952 1.00 0.00 C ATOM 1388 C ARG A 95 -4.672 8.885 6.491 1.00 0.00 C ATOM 1389 O ARG A 95 -3.585 8.737 5.932 1.00 0.00 O ATOM 1390 CB ARG A 95 -5.776 7.789 8.450 1.00 0.00 C ATOM 1391 CG ARG A 95 -4.524 7.828 9.311 1.00 0.00 C ATOM 1392 CD ARG A 95 -4.079 9.256 9.583 1.00 0.00 C ATOM 1393 NE ARG A 95 -2.720 9.314 10.116 1.00 0.00 N ATOM 1394 CZ ARG A 95 -2.261 10.322 10.849 1.00 0.00 C ATOM 1395 NH1 ARG A 95 -3.047 11.351 11.135 1.00 0.00 N ATOM 1396 NH2 ARG A 95 -1.012 10.303 11.298 1.00 0.00 N ATOM 0 H ARG A 95 -4.137 6.137 7.390 1.00 0.00 H new ATOM 0 HA ARG A 95 -6.431 7.671 6.407 1.00 0.00 H new ATOM 0 HB2 ARG A 95 -6.361 8.690 8.634 1.00 0.00 H new ATOM 0 HB3 ARG A 95 -6.390 6.942 8.755 1.00 0.00 H new ATOM 0 HG2 ARG A 95 -4.715 7.319 10.256 1.00 0.00 H new ATOM 0 HG3 ARG A 95 -3.721 7.284 8.813 1.00 0.00 H new ATOM 0 HD2 ARG A 95 -4.131 9.834 8.660 1.00 0.00 H new ATOM 0 HD3 ARG A 95 -4.766 9.721 10.290 1.00 0.00 H new ATOM 0 HE ARG A 95 -2.089 8.538 9.914 1.00 0.00 H new ATOM 0 HH11 ARG A 95 -4.007 11.370 10.792 1.00 0.00 H new ATOM 0 HH12 ARG A 95 -2.691 12.123 11.698 1.00 0.00 H new ATOM 0 HH21 ARG A 95 -0.404 9.514 11.080 1.00 0.00 H new ATOM 0 HH22 ARG A 95 -0.661 11.078 11.861 1.00 0.00 H new ATOM 1410 N THR A 96 -5.205 10.080 6.729 1.00 0.00 N ATOM 1411 CA THR A 96 -4.530 11.310 6.337 1.00 0.00 C ATOM 1412 C THR A 96 -5.121 12.516 7.059 1.00 0.00 C ATOM 1413 O THR A 96 -6.331 12.616 7.261 1.00 0.00 O ATOM 1414 CB THR A 96 -4.619 11.541 4.817 1.00 0.00 C ATOM 1415 OG1 THR A 96 -5.978 11.417 4.382 1.00 0.00 O ATOM 1416 CG2 THR A 96 -3.748 10.545 4.066 1.00 0.00 C ATOM 0 H THR A 96 -6.103 10.221 7.192 1.00 0.00 H new ATOM 0 HA THR A 96 -3.483 11.199 6.619 1.00 0.00 H new ATOM 0 HB THR A 96 -4.259 12.547 4.603 1.00 0.00 H new ATOM 0 HG1 THR A 96 -6.225 10.469 4.346 1.00 0.00 H new ATOM 0 HG21 THR A 96 -3.827 10.728 2.994 1.00 0.00 H new ATOM 0 HG22 THR A 96 -2.710 10.661 4.378 1.00 0.00 H new ATOM 0 HG23 THR A 96 -4.082 9.531 4.287 1.00 0.00 H new ATOM 1424 N PRO A 97 -4.249 13.454 7.456 1.00 0.00 N ATOM 1425 CA PRO A 97 -4.664 14.672 8.161 1.00 0.00 C ATOM 1426 C PRO A 97 -5.434 15.630 7.258 1.00 0.00 C ATOM 1427 O PRO A 97 -5.716 15.318 6.101 1.00 0.00 O ATOM 1428 CB PRO A 97 -3.337 15.298 8.597 1.00 0.00 C ATOM 1429 CG PRO A 97 -2.336 14.784 7.620 1.00 0.00 C ATOM 1430 CD PRO A 97 -2.793 13.400 7.249 1.00 0.00 C ATOM 0 HA PRO A 97 -5.341 14.455 8.987 1.00 0.00 H new ATOM 0 HB2 PRO A 97 -3.387 16.387 8.576 1.00 0.00 H new ATOM 0 HB3 PRO A 97 -3.079 15.010 9.616 1.00 0.00 H new ATOM 0 HG2 PRO A 97 -2.283 15.426 6.741 1.00 0.00 H new ATOM 0 HG3 PRO A 97 -1.338 14.761 8.059 1.00 0.00 H new ATOM 0 HD2 PRO A 97 -2.543 13.158 6.216 1.00 0.00 H new ATOM 0 HD3 PRO A 97 -2.326 12.641 7.877 1.00 0.00 H new ATOM 1438 N THR A 98 -5.772 16.798 7.795 1.00 0.00 N ATOM 1439 CA THR A 98 -6.510 17.802 7.038 1.00 0.00 C ATOM 1440 C THR A 98 -5.921 19.192 7.249 1.00 0.00 C ATOM 1441 O THR A 98 -5.974 19.738 8.351 1.00 0.00 O ATOM 1442 CB THR A 98 -7.998 17.821 7.435 1.00 0.00 C ATOM 1443 OG1 THR A 98 -8.127 18.015 8.848 1.00 0.00 O ATOM 1444 CG2 THR A 98 -8.683 16.524 7.032 1.00 0.00 C ATOM 0 H THR A 98 -5.547 17.072 8.751 1.00 0.00 H new ATOM 0 HA THR A 98 -6.425 17.531 5.986 1.00 0.00 H new ATOM 0 HB THR A 98 -8.480 18.646 6.910 1.00 0.00 H new ATOM 0 HG1 THR A 98 -7.482 18.690 9.146 1.00 0.00 H new ATOM 0 HG21 THR A 98 -9.733 16.561 7.323 1.00 0.00 H new ATOM 0 HG22 THR A 98 -8.610 16.394 5.952 1.00 0.00 H new ATOM 0 HG23 THR A 98 -8.198 15.686 7.532 1.00 0.00 H new ATOM 1452 N SER A 99 -5.361 19.759 6.185 1.00 0.00 N ATOM 1453 CA SER A 99 -4.759 21.086 6.255 1.00 0.00 C ATOM 1454 C SER A 99 -5.735 22.151 5.766 1.00 0.00 C ATOM 1455 O SER A 99 -6.511 21.921 4.839 1.00 0.00 O ATOM 1456 CB SER A 99 -3.477 21.131 5.422 1.00 0.00 C ATOM 1457 OG SER A 99 -2.667 22.234 5.792 1.00 0.00 O ATOM 0 H SER A 99 -5.312 19.321 5.265 1.00 0.00 H new ATOM 0 HA SER A 99 -4.514 21.293 7.297 1.00 0.00 H new ATOM 0 HB2 SER A 99 -2.919 20.204 5.557 1.00 0.00 H new ATOM 0 HB3 SER A 99 -3.729 21.200 4.364 1.00 0.00 H new ATOM 0 HG SER A 99 -1.853 22.240 5.246 1.00 0.00 H new