USER MOD reduce.3.24.130724 H: found=0, std=0, add=637, rem=0, adj=18 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 36 THR OG1 : rot -88:sc= 1.1 USER MOD Set 1.2: A 37 HIS : no HD1:sc= -1.25 K(o=-0.14,f=-8.7!) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 THR OG1 : rot -160:sc= -1.23 USER MOD Single : A 26 HIS : no HE2:sc= -1.18 X(o=-1.2,f=-1.4) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 GLN : amide:sc= -2.48 K(o=-2.5,f=-8.6!) USER MOD Single : A 32 SER OG : rot 110:sc= -0.455 USER MOD Single : A 38 TYR OH : rot 103:sc= -0.799 USER MOD Single : A 42 CYS SG : rot 76:sc= -2.47 USER MOD Single : A 43 SER OG : rot 180:sc= 0 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 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 79 GLN :FLIP amide:sc= -1.59 F(o=-3.9!,f=-1.6) USER MOD Single : A 80 SER OG : rot -67:sc= 0.657 USER MOD Single : A 87 SER OG : rot -90:sc= -1.74 USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 THR OG1 : rot 30:sc= 0.271 USER MOD Single : A 99 SER OG : rot -51:sc= 0.876 USER MOD ----------------------------------------------------------------- ATOM 80 N LEU A 9 6.742 -17.626 -0.080 1.00 0.00 N ATOM 81 CA LEU A 9 6.495 -16.229 -0.420 1.00 0.00 C ATOM 82 C LEU A 9 5.910 -15.474 0.769 1.00 0.00 C ATOM 83 O LEU A 9 4.696 -15.314 0.898 1.00 0.00 O ATOM 84 CB LEU A 9 5.545 -16.135 -1.615 1.00 0.00 C ATOM 85 CG LEU A 9 5.679 -14.883 -2.483 1.00 0.00 C ATOM 86 CD1 LEU A 9 7.105 -14.738 -2.994 1.00 0.00 C ATOM 87 CD2 LEU A 9 4.697 -14.931 -3.644 1.00 0.00 C ATOM 0 HA LEU A 9 7.448 -15.771 -0.684 1.00 0.00 H new ATOM 0 HB2 LEU A 9 5.701 -17.009 -2.247 1.00 0.00 H new ATOM 0 HB3 LEU A 9 4.521 -16.188 -1.245 1.00 0.00 H new ATOM 0 HG LEU A 9 5.444 -14.013 -1.870 1.00 0.00 H new ATOM 0 HD11 LEU A 9 7.182 -13.842 -3.610 1.00 0.00 H new ATOM 0 HD12 LEU A 9 7.788 -14.657 -2.148 1.00 0.00 H new ATOM 0 HD13 LEU A 9 7.368 -15.612 -3.590 1.00 0.00 H new ATOM 0 HD21 LEU A 9 4.807 -14.032 -4.251 1.00 0.00 H new ATOM 0 HD22 LEU A 9 4.900 -15.809 -4.257 1.00 0.00 H new ATOM 0 HD23 LEU A 9 3.679 -14.986 -3.258 1.00 0.00 H new ATOM 99 N PRO A 10 6.792 -14.996 1.659 1.00 0.00 N ATOM 100 CA PRO A 10 6.387 -14.247 2.853 1.00 0.00 C ATOM 101 C PRO A 10 5.835 -12.867 2.511 1.00 0.00 C ATOM 102 O PRO A 10 6.557 -11.977 2.062 1.00 0.00 O ATOM 103 CB PRO A 10 7.686 -14.121 3.651 1.00 0.00 C ATOM 104 CG PRO A 10 8.768 -14.217 2.631 1.00 0.00 C ATOM 105 CD PRO A 10 8.254 -15.149 1.569 1.00 0.00 C ATOM 0 HA PRO A 10 5.585 -14.747 3.396 1.00 0.00 H new ATOM 0 HB2 PRO A 10 7.731 -13.173 4.188 1.00 0.00 H new ATOM 0 HB3 PRO A 10 7.772 -14.913 4.395 1.00 0.00 H new ATOM 0 HG2 PRO A 10 8.998 -13.237 2.212 1.00 0.00 H new ATOM 0 HG3 PRO A 10 9.688 -14.599 3.073 1.00 0.00 H new ATOM 0 HD2 PRO A 10 8.626 -14.877 0.581 1.00 0.00 H new ATOM 0 HD3 PRO A 10 8.562 -16.178 1.754 1.00 0.00 H new ATOM 113 N PRO A 11 4.524 -12.683 2.729 1.00 0.00 N ATOM 114 CA PRO A 11 3.847 -11.413 2.453 1.00 0.00 C ATOM 115 C PRO A 11 4.263 -10.311 3.421 1.00 0.00 C ATOM 116 O PRO A 11 4.941 -10.552 4.420 1.00 0.00 O ATOM 117 CB PRO A 11 2.366 -11.753 2.635 1.00 0.00 C ATOM 118 CG PRO A 11 2.356 -12.915 3.567 1.00 0.00 C ATOM 119 CD PRO A 11 3.603 -13.700 3.264 1.00 0.00 C ATOM 0 HA PRO A 11 4.092 -11.028 1.463 1.00 0.00 H new ATOM 0 HB2 PRO A 11 1.814 -10.909 3.049 1.00 0.00 H new ATOM 0 HB3 PRO A 11 1.898 -12.005 1.683 1.00 0.00 H new ATOM 0 HG2 PRO A 11 2.347 -12.583 4.605 1.00 0.00 H new ATOM 0 HG3 PRO A 11 1.465 -13.526 3.420 1.00 0.00 H new ATOM 0 HD2 PRO A 11 4.005 -14.176 4.158 1.00 0.00 H new ATOM 0 HD3 PRO A 11 3.413 -14.492 2.539 1.00 0.00 H new ATOM 127 N PRO A 12 3.849 -9.071 3.121 1.00 0.00 N ATOM 128 CA PRO A 12 4.167 -7.907 3.953 1.00 0.00 C ATOM 129 C PRO A 12 3.434 -7.933 5.291 1.00 0.00 C ATOM 130 O PRO A 12 2.209 -8.042 5.336 1.00 0.00 O ATOM 131 CB PRO A 12 3.691 -6.724 3.106 1.00 0.00 C ATOM 132 CG PRO A 12 2.629 -7.290 2.228 1.00 0.00 C ATOM 133 CD PRO A 12 3.038 -8.709 1.946 1.00 0.00 C ATOM 0 HA PRO A 12 5.226 -7.867 4.209 1.00 0.00 H new ATOM 0 HB2 PRO A 12 3.301 -5.921 3.731 1.00 0.00 H new ATOM 0 HB3 PRO A 12 4.507 -6.303 2.519 1.00 0.00 H new ATOM 0 HG2 PRO A 12 1.657 -7.254 2.719 1.00 0.00 H new ATOM 0 HG3 PRO A 12 2.541 -6.718 1.304 1.00 0.00 H new ATOM 0 HD2 PRO A 12 2.172 -9.363 1.838 1.00 0.00 H new ATOM 0 HD3 PRO A 12 3.612 -8.786 1.023 1.00 0.00 H new ATOM 141 N ARG A 13 4.192 -7.833 6.378 1.00 0.00 N ATOM 142 CA ARG A 13 3.615 -7.846 7.716 1.00 0.00 C ATOM 143 C ARG A 13 3.820 -6.503 8.410 1.00 0.00 C ATOM 144 O ARG A 13 2.875 -5.910 8.928 1.00 0.00 O ATOM 145 CB ARG A 13 4.238 -8.965 8.552 1.00 0.00 C ATOM 146 CG ARG A 13 5.756 -8.921 8.594 1.00 0.00 C ATOM 147 CD ARG A 13 6.343 -10.274 8.965 1.00 0.00 C ATOM 148 NE ARG A 13 6.323 -10.503 10.407 1.00 0.00 N ATOM 149 CZ ARG A 13 7.101 -11.386 11.022 1.00 0.00 C ATOM 150 NH1 ARG A 13 7.956 -12.121 10.324 1.00 0.00 N ATOM 151 NH2 ARG A 13 7.026 -11.537 12.338 1.00 0.00 N ATOM 0 H ARG A 13 5.208 -7.742 6.358 1.00 0.00 H new ATOM 0 HA ARG A 13 2.544 -8.026 7.621 1.00 0.00 H new ATOM 0 HB2 ARG A 13 3.853 -8.904 9.570 1.00 0.00 H new ATOM 0 HB3 ARG A 13 3.922 -9.927 8.149 1.00 0.00 H new ATOM 0 HG2 ARG A 13 6.139 -8.611 7.622 1.00 0.00 H new ATOM 0 HG3 ARG A 13 6.079 -8.172 9.317 1.00 0.00 H new ATOM 0 HD2 ARG A 13 5.780 -11.062 8.465 1.00 0.00 H new ATOM 0 HD3 ARG A 13 7.369 -10.336 8.602 1.00 0.00 H new ATOM 0 HE ARG A 13 5.676 -9.954 10.973 1.00 0.00 H new ATOM 0 HH11 ARG A 13 8.017 -12.009 9.312 1.00 0.00 H new ATOM 0 HH12 ARG A 13 8.552 -12.798 10.799 1.00 0.00 H new ATOM 0 HH21 ARG A 13 6.370 -10.974 12.879 1.00 0.00 H new ATOM 0 HH22 ARG A 13 7.625 -12.216 12.808 1.00 0.00 H new ATOM 165 N ALA A 14 5.062 -6.030 8.417 1.00 0.00 N ATOM 166 CA ALA A 14 5.391 -4.757 9.046 1.00 0.00 C ATOM 167 C ALA A 14 4.936 -3.584 8.183 1.00 0.00 C ATOM 168 O ALA A 14 5.717 -2.680 7.884 1.00 0.00 O ATOM 169 CB ALA A 14 6.887 -4.670 9.310 1.00 0.00 C ATOM 0 H ALA A 14 5.857 -6.509 7.994 1.00 0.00 H new ATOM 0 HA ALA A 14 4.861 -4.702 9.997 1.00 0.00 H new ATOM 0 HB1 ALA A 14 7.119 -3.714 9.780 1.00 0.00 H new ATOM 0 HB2 ALA A 14 7.187 -5.482 9.972 1.00 0.00 H new ATOM 0 HB3 ALA A 14 7.428 -4.751 8.367 1.00 0.00 H new ATOM 175 N LEU A 15 3.668 -3.606 7.786 1.00 0.00 N ATOM 176 CA LEU A 15 3.108 -2.544 6.957 1.00 0.00 C ATOM 177 C LEU A 15 2.805 -1.304 7.792 1.00 0.00 C ATOM 178 O LEU A 15 1.741 -1.198 8.403 1.00 0.00 O ATOM 179 CB LEU A 15 1.834 -3.030 6.264 1.00 0.00 C ATOM 180 CG LEU A 15 2.033 -3.997 5.096 1.00 0.00 C ATOM 181 CD1 LEU A 15 0.857 -4.955 4.991 1.00 0.00 C ATOM 182 CD2 LEU A 15 2.217 -3.231 3.794 1.00 0.00 C ATOM 0 H LEU A 15 3.009 -4.347 8.025 1.00 0.00 H new ATOM 0 HA LEU A 15 3.847 -2.279 6.201 1.00 0.00 H new ATOM 0 HB2 LEU A 15 1.202 -3.515 7.008 1.00 0.00 H new ATOM 0 HB3 LEU A 15 1.287 -2.160 5.900 1.00 0.00 H new ATOM 0 HG LEU A 15 2.935 -4.580 5.281 1.00 0.00 H new ATOM 0 HD11 LEU A 15 1.016 -5.636 4.155 1.00 0.00 H new ATOM 0 HD12 LEU A 15 0.771 -5.528 5.914 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -0.060 -4.389 4.829 1.00 0.00 H new ATOM 0 HD21 LEU A 15 2.357 -3.935 2.974 1.00 0.00 H new ATOM 0 HD22 LEU A 15 1.334 -2.622 3.602 1.00 0.00 H new ATOM 0 HD23 LEU A 15 3.092 -2.586 3.872 1.00 0.00 H new ATOM 194 N THR A 16 3.747 -0.366 7.812 1.00 0.00 N ATOM 195 CA THR A 16 3.580 0.868 8.570 1.00 0.00 C ATOM 196 C THR A 16 3.574 2.083 7.649 1.00 0.00 C ATOM 197 O THR A 16 4.297 2.124 6.652 1.00 0.00 O ATOM 198 CB THR A 16 4.697 1.039 9.617 1.00 0.00 C ATOM 199 OG1 THR A 16 4.722 -0.092 10.495 1.00 0.00 O ATOM 200 CG2 THR A 16 4.491 2.311 10.425 1.00 0.00 C ATOM 0 H THR A 16 4.633 -0.437 7.312 1.00 0.00 H new ATOM 0 HA THR A 16 2.620 0.797 9.081 1.00 0.00 H new ATOM 0 HB THR A 16 5.649 1.112 9.092 1.00 0.00 H new ATOM 0 HG1 THR A 16 5.436 0.023 11.157 1.00 0.00 H new ATOM 0 HG21 THR A 16 5.292 2.410 11.158 1.00 0.00 H new ATOM 0 HG22 THR A 16 4.502 3.172 9.757 1.00 0.00 H new ATOM 0 HG23 THR A 16 3.532 2.263 10.940 1.00 0.00 H new ATOM 208 N LEU A 17 2.753 3.071 7.987 1.00 0.00 N ATOM 209 CA LEU A 17 2.652 4.289 7.190 1.00 0.00 C ATOM 210 C LEU A 17 3.975 5.050 7.189 1.00 0.00 C ATOM 211 O LEU A 17 4.325 5.707 8.169 1.00 0.00 O ATOM 212 CB LEU A 17 1.536 5.185 7.730 1.00 0.00 C ATOM 213 CG LEU A 17 0.836 6.076 6.704 1.00 0.00 C ATOM 214 CD1 LEU A 17 1.780 7.160 6.206 1.00 0.00 C ATOM 215 CD2 LEU A 17 0.315 5.244 5.542 1.00 0.00 C ATOM 0 H LEU A 17 2.147 3.053 8.808 1.00 0.00 H new ATOM 0 HA LEU A 17 2.416 4.004 6.165 1.00 0.00 H new ATOM 0 HB2 LEU A 17 0.786 4.552 8.204 1.00 0.00 H new ATOM 0 HB3 LEU A 17 1.954 5.822 8.510 1.00 0.00 H new ATOM 0 HG LEU A 17 -0.013 6.558 7.189 1.00 0.00 H new ATOM 0 HD11 LEU A 17 1.264 7.784 5.476 1.00 0.00 H new ATOM 0 HD12 LEU A 17 2.103 7.775 7.046 1.00 0.00 H new ATOM 0 HD13 LEU A 17 2.650 6.698 5.738 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -0.180 5.895 4.822 1.00 0.00 H new ATOM 0 HD22 LEU A 17 1.148 4.734 5.058 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -0.396 4.506 5.913 1.00 0.00 H new ATOM 227 N ALA A 18 4.704 4.957 6.082 1.00 0.00 N ATOM 228 CA ALA A 18 5.985 5.639 5.951 1.00 0.00 C ATOM 229 C ALA A 18 5.854 7.121 6.287 1.00 0.00 C ATOM 230 O ALA A 18 6.688 7.682 6.998 1.00 0.00 O ATOM 231 CB ALA A 18 6.536 5.462 4.544 1.00 0.00 C ATOM 0 H ALA A 18 4.429 4.416 5.263 1.00 0.00 H new ATOM 0 HA ALA A 18 6.681 5.192 6.661 1.00 0.00 H new ATOM 0 HB1 ALA A 18 7.493 5.977 4.461 1.00 0.00 H new ATOM 0 HB2 ALA A 18 6.676 4.401 4.339 1.00 0.00 H new ATOM 0 HB3 ALA A 18 5.834 5.882 3.823 1.00 0.00 H new ATOM 237 N ALA A 19 4.803 7.750 5.771 1.00 0.00 N ATOM 238 CA ALA A 19 4.563 9.166 6.018 1.00 0.00 C ATOM 239 C ALA A 19 3.136 9.554 5.648 1.00 0.00 C ATOM 240 O ALA A 19 2.671 9.269 4.544 1.00 0.00 O ATOM 241 CB ALA A 19 5.561 10.014 5.242 1.00 0.00 C ATOM 0 H ALA A 19 4.104 7.301 5.179 1.00 0.00 H new ATOM 0 HA ALA A 19 4.697 9.351 7.084 1.00 0.00 H new ATOM 0 HB1 ALA A 19 5.370 11.069 5.436 1.00 0.00 H new ATOM 0 HB2 ALA A 19 6.574 9.764 5.558 1.00 0.00 H new ATOM 0 HB3 ALA A 19 5.455 9.816 4.175 1.00 0.00 H new ATOM 247 N VAL A 20 2.444 10.205 6.578 1.00 0.00 N ATOM 248 CA VAL A 20 1.069 10.632 6.348 1.00 0.00 C ATOM 249 C VAL A 20 1.015 12.084 5.885 1.00 0.00 C ATOM 250 O VAL A 20 1.210 13.008 6.674 1.00 0.00 O ATOM 251 CB VAL A 20 0.214 10.479 7.620 1.00 0.00 C ATOM 252 CG1 VAL A 20 0.746 11.371 8.732 1.00 0.00 C ATOM 253 CG2 VAL A 20 -1.244 10.796 7.324 1.00 0.00 C ATOM 0 H VAL A 20 2.813 10.448 7.497 1.00 0.00 H new ATOM 0 HA VAL A 20 0.664 9.989 5.567 1.00 0.00 H new ATOM 0 HB VAL A 20 0.276 9.444 7.955 1.00 0.00 H new ATOM 0 HG11 VAL A 20 0.129 11.249 9.622 1.00 0.00 H new ATOM 0 HG12 VAL A 20 1.774 11.092 8.962 1.00 0.00 H new ATOM 0 HG13 VAL A 20 0.716 12.412 8.409 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -1.833 10.683 8.234 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -1.327 11.821 6.963 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -1.618 10.112 6.562 1.00 0.00 H new ATOM 263 N THR A 21 0.746 12.278 4.597 1.00 0.00 N ATOM 264 CA THR A 21 0.666 13.617 4.027 1.00 0.00 C ATOM 265 C THR A 21 -0.690 13.856 3.374 1.00 0.00 C ATOM 266 O THR A 21 -1.235 12.994 2.685 1.00 0.00 O ATOM 267 CB THR A 21 1.774 13.850 2.982 1.00 0.00 C ATOM 268 OG1 THR A 21 2.924 13.058 3.303 1.00 0.00 O ATOM 269 CG2 THR A 21 2.164 15.319 2.925 1.00 0.00 C ATOM 0 H THR A 21 0.580 11.525 3.930 1.00 0.00 H new ATOM 0 HA THR A 21 0.799 14.319 4.850 1.00 0.00 H new ATOM 0 HB THR A 21 1.390 13.554 2.006 1.00 0.00 H new ATOM 0 HG1 THR A 21 3.623 13.210 2.633 1.00 0.00 H new ATOM 0 HG21 THR A 21 2.948 15.459 2.180 1.00 0.00 H new ATOM 0 HG22 THR A 21 1.294 15.916 2.653 1.00 0.00 H new ATOM 0 HG23 THR A 21 2.530 15.636 3.901 1.00 0.00 H new ATOM 277 N PRO A 22 -1.250 15.055 3.593 1.00 0.00 N ATOM 278 CA PRO A 22 -2.550 15.436 3.032 1.00 0.00 C ATOM 279 C PRO A 22 -2.496 15.628 1.521 1.00 0.00 C ATOM 280 O PRO A 22 -3.492 15.993 0.896 1.00 0.00 O ATOM 281 CB PRO A 22 -2.861 16.763 3.729 1.00 0.00 C ATOM 282 CG PRO A 22 -1.529 17.318 4.100 1.00 0.00 C ATOM 283 CD PRO A 22 -0.656 16.132 4.403 1.00 0.00 C ATOM 0 HA PRO A 22 -3.305 14.666 3.193 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -3.402 17.440 3.068 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -3.486 16.611 4.609 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -1.113 17.911 3.286 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -1.608 17.976 4.965 1.00 0.00 H new ATOM 0 HD2 PRO A 22 0.382 16.316 4.127 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -0.665 15.887 5.465 1.00 0.00 H new ATOM 291 N ARG A 23 -1.327 15.380 0.939 1.00 0.00 N ATOM 292 CA ARG A 23 -1.144 15.526 -0.500 1.00 0.00 C ATOM 293 C ARG A 23 -0.672 14.216 -1.124 1.00 0.00 C ATOM 294 O ARG A 23 -0.898 13.962 -2.308 1.00 0.00 O ATOM 295 CB ARG A 23 -0.135 16.637 -0.797 1.00 0.00 C ATOM 296 CG ARG A 23 -0.212 17.805 0.173 1.00 0.00 C ATOM 297 CD ARG A 23 1.092 18.587 0.208 1.00 0.00 C ATOM 298 NE ARG A 23 1.110 19.573 1.285 1.00 0.00 N ATOM 299 CZ ARG A 23 2.153 20.352 1.551 1.00 0.00 C ATOM 300 NH1 ARG A 23 3.257 20.260 0.821 1.00 0.00 N ATOM 301 NH2 ARG A 23 2.094 21.225 2.548 1.00 0.00 N ATOM 0 H ARG A 23 -0.493 15.077 1.442 1.00 0.00 H new ATOM 0 HA ARG A 23 -2.106 15.791 -0.938 1.00 0.00 H new ATOM 0 HB2 ARG A 23 0.871 16.219 -0.770 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -0.300 17.005 -1.810 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -1.027 18.468 -0.118 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -0.443 17.435 1.172 1.00 0.00 H new ATOM 0 HD2 ARG A 23 1.926 17.896 0.335 1.00 0.00 H new ATOM 0 HD3 ARG A 23 1.238 19.091 -0.747 1.00 0.00 H new ATOM 0 HE ARG A 23 0.276 19.669 1.865 1.00 0.00 H new ATOM 0 HH11 ARG A 23 3.307 19.590 0.053 1.00 0.00 H new ATOM 0 HH12 ARG A 23 4.056 20.859 1.027 1.00 0.00 H new ATOM 0 HH21 ARG A 23 1.247 21.299 3.112 1.00 0.00 H new ATOM 0 HH22 ARG A 23 2.896 21.822 2.751 1.00 0.00 H new ATOM 315 N THR A 24 -0.015 13.386 -0.320 1.00 0.00 N ATOM 316 CA THR A 24 0.490 12.103 -0.793 1.00 0.00 C ATOM 317 C THR A 24 0.541 11.082 0.338 1.00 0.00 C ATOM 318 O THR A 24 0.587 11.444 1.513 1.00 0.00 O ATOM 319 CB THR A 24 1.896 12.245 -1.406 1.00 0.00 C ATOM 320 OG1 THR A 24 2.891 12.107 -0.385 1.00 0.00 O ATOM 321 CG2 THR A 24 2.053 13.591 -2.096 1.00 0.00 C ATOM 0 H THR A 24 0.180 13.580 0.662 1.00 0.00 H new ATOM 0 HA THR A 24 -0.200 11.755 -1.562 1.00 0.00 H new ATOM 0 HB THR A 24 2.026 11.458 -2.149 1.00 0.00 H new ATOM 0 HG1 THR A 24 3.733 12.501 -0.694 1.00 0.00 H new ATOM 0 HG21 THR A 24 3.054 13.668 -2.521 1.00 0.00 H new ATOM 0 HG22 THR A 24 1.313 13.681 -2.892 1.00 0.00 H new ATOM 0 HG23 THR A 24 1.905 14.391 -1.371 1.00 0.00 H new ATOM 329 N VAL A 25 0.533 9.803 -0.025 1.00 0.00 N ATOM 330 CA VAL A 25 0.580 8.729 0.959 1.00 0.00 C ATOM 331 C VAL A 25 1.769 7.807 0.710 1.00 0.00 C ATOM 332 O VAL A 25 1.909 7.236 -0.372 1.00 0.00 O ATOM 333 CB VAL A 25 -0.715 7.895 0.942 1.00 0.00 C ATOM 334 CG1 VAL A 25 -0.554 6.641 1.789 1.00 0.00 C ATOM 335 CG2 VAL A 25 -1.891 8.728 1.427 1.00 0.00 C ATOM 0 H VAL A 25 0.494 9.486 -0.994 1.00 0.00 H new ATOM 0 HA VAL A 25 0.687 9.200 1.936 1.00 0.00 H new ATOM 0 HB VAL A 25 -0.915 7.588 -0.084 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -1.479 6.065 1.765 1.00 0.00 H new ATOM 0 HG12 VAL A 25 0.261 6.036 1.392 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -0.329 6.923 2.818 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -2.798 8.123 1.408 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -1.701 9.067 2.446 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -2.018 9.592 0.775 1.00 0.00 H new ATOM 345 N HIS A 26 2.622 7.665 1.719 1.00 0.00 N ATOM 346 CA HIS A 26 3.800 6.811 1.610 1.00 0.00 C ATOM 347 C HIS A 26 3.665 5.583 2.505 1.00 0.00 C ATOM 348 O HIS A 26 3.510 5.702 3.721 1.00 0.00 O ATOM 349 CB HIS A 26 5.059 7.593 1.984 1.00 0.00 C ATOM 350 CG HIS A 26 6.323 6.974 1.471 1.00 0.00 C ATOM 351 ND1 HIS A 26 7.430 7.712 1.110 1.00 0.00 N ATOM 352 CD2 HIS A 26 6.651 5.678 1.260 1.00 0.00 C ATOM 353 CE1 HIS A 26 8.385 6.897 0.698 1.00 0.00 C ATOM 354 NE2 HIS A 26 7.938 5.657 0.780 1.00 0.00 N ATOM 0 H HIS A 26 2.520 8.130 2.621 1.00 0.00 H new ATOM 0 HA HIS A 26 3.882 6.478 0.575 1.00 0.00 H new ATOM 0 HB2 HIS A 26 4.976 8.607 1.593 1.00 0.00 H new ATOM 0 HB3 HIS A 26 5.118 7.673 3.069 1.00 0.00 H new ATOM 0 HD1 HIS A 26 7.501 8.729 1.154 1.00 0.00 H new ATOM 0 HD2 HIS A 26 6.019 4.820 1.436 1.00 0.00 H new ATOM 0 HE1 HIS A 26 9.364 7.194 0.353 1.00 0.00 H new ATOM 363 N LEU A 27 3.723 4.404 1.896 1.00 0.00 N ATOM 364 CA LEU A 27 3.606 3.153 2.638 1.00 0.00 C ATOM 365 C LEU A 27 4.806 2.250 2.373 1.00 0.00 C ATOM 366 O LEU A 27 5.237 2.089 1.231 1.00 0.00 O ATOM 367 CB LEU A 27 2.314 2.429 2.256 1.00 0.00 C ATOM 368 CG LEU A 27 1.670 1.581 3.353 1.00 0.00 C ATOM 369 CD1 LEU A 27 2.703 0.674 4.002 1.00 0.00 C ATOM 370 CD2 LEU A 27 1.009 2.471 4.396 1.00 0.00 C ATOM 0 H LEU A 27 3.850 4.288 0.891 1.00 0.00 H new ATOM 0 HA LEU A 27 3.581 3.391 3.701 1.00 0.00 H new ATOM 0 HB2 LEU A 27 1.588 3.173 1.926 1.00 0.00 H new ATOM 0 HB3 LEU A 27 2.521 1.785 1.401 1.00 0.00 H new ATOM 0 HG LEU A 27 0.902 0.955 2.898 1.00 0.00 H new ATOM 0 HD11 LEU A 27 2.226 0.078 4.780 1.00 0.00 H new ATOM 0 HD12 LEU A 27 3.130 0.012 3.249 1.00 0.00 H new ATOM 0 HD13 LEU A 27 3.494 1.281 4.443 1.00 0.00 H new ATOM 0 HD21 LEU A 27 0.556 1.851 5.169 1.00 0.00 H new ATOM 0 HD22 LEU A 27 1.758 3.122 4.846 1.00 0.00 H new ATOM 0 HD23 LEU A 27 0.239 3.079 3.921 1.00 0.00 H new ATOM 382 N THR A 28 5.341 1.659 3.437 1.00 0.00 N ATOM 383 CA THR A 28 6.491 0.770 3.321 1.00 0.00 C ATOM 384 C THR A 28 6.265 -0.525 4.092 1.00 0.00 C ATOM 385 O THR A 28 5.588 -0.536 5.120 1.00 0.00 O ATOM 386 CB THR A 28 7.776 1.444 3.837 1.00 0.00 C ATOM 387 OG1 THR A 28 7.554 1.987 5.143 1.00 0.00 O ATOM 388 CG2 THR A 28 8.225 2.549 2.892 1.00 0.00 C ATOM 0 H THR A 28 4.996 1.780 4.389 1.00 0.00 H new ATOM 0 HA THR A 28 6.609 0.543 2.262 1.00 0.00 H new ATOM 0 HB THR A 28 8.561 0.689 3.887 1.00 0.00 H new ATOM 0 HG1 THR A 28 8.376 2.412 5.465 1.00 0.00 H new ATOM 0 HG21 THR A 28 9.134 3.010 3.277 1.00 0.00 H new ATOM 0 HG22 THR A 28 8.422 2.127 1.906 1.00 0.00 H new ATOM 0 HG23 THR A 28 7.441 3.302 2.814 1.00 0.00 H new ATOM 396 N TRP A 29 6.835 -1.614 3.589 1.00 0.00 N ATOM 397 CA TRP A 29 6.696 -2.916 4.233 1.00 0.00 C ATOM 398 C TRP A 29 7.997 -3.706 4.149 1.00 0.00 C ATOM 399 O TRP A 29 9.003 -3.209 3.644 1.00 0.00 O ATOM 400 CB TRP A 29 5.560 -3.709 3.585 1.00 0.00 C ATOM 401 CG TRP A 29 5.620 -3.717 2.087 1.00 0.00 C ATOM 402 CD1 TRP A 29 6.259 -4.630 1.297 1.00 0.00 C ATOM 403 CD2 TRP A 29 5.020 -2.766 1.200 1.00 0.00 C ATOM 404 NE1 TRP A 29 6.092 -4.304 -0.027 1.00 0.00 N ATOM 405 CE2 TRP A 29 5.335 -3.166 -0.113 1.00 0.00 C ATOM 406 CE3 TRP A 29 4.246 -1.618 1.388 1.00 0.00 C ATOM 407 CZ2 TRP A 29 4.903 -2.456 -1.231 1.00 0.00 C ATOM 408 CZ3 TRP A 29 3.818 -0.915 0.278 1.00 0.00 C ATOM 409 CH2 TRP A 29 4.147 -1.336 -1.018 1.00 0.00 C ATOM 0 H TRP A 29 7.397 -1.622 2.738 1.00 0.00 H new ATOM 0 HA TRP A 29 6.461 -2.751 5.284 1.00 0.00 H new ATOM 0 HB2 TRP A 29 5.590 -4.736 3.948 1.00 0.00 H new ATOM 0 HB3 TRP A 29 4.606 -3.287 3.901 1.00 0.00 H new ATOM 0 HD1 TRP A 29 6.814 -5.483 1.660 1.00 0.00 H new ATOM 0 HE1 TRP A 29 6.471 -4.825 -0.818 1.00 0.00 H new ATOM 0 HE3 TRP A 29 3.987 -1.286 2.383 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 5.156 -2.778 -2.230 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 3.220 -0.026 0.411 1.00 0.00 H new ATOM 0 HH2 TRP A 29 3.797 -0.765 -1.865 1.00 0.00 H new ATOM 420 N GLN A 30 7.969 -4.939 4.646 1.00 0.00 N ATOM 421 CA GLN A 30 9.147 -5.797 4.627 1.00 0.00 C ATOM 422 C GLN A 30 9.466 -6.252 3.207 1.00 0.00 C ATOM 423 O GLN A 30 8.576 -6.554 2.411 1.00 0.00 O ATOM 424 CB GLN A 30 8.933 -7.013 5.529 1.00 0.00 C ATOM 425 CG GLN A 30 8.892 -6.673 7.010 1.00 0.00 C ATOM 426 CD GLN A 30 9.275 -7.846 7.890 1.00 0.00 C ATOM 427 OE1 GLN A 30 8.453 -8.366 8.644 1.00 0.00 O ATOM 428 NE2 GLN A 30 10.530 -8.270 7.798 1.00 0.00 N ATOM 0 H GLN A 30 7.143 -5.365 5.066 1.00 0.00 H new ATOM 0 HA GLN A 30 9.992 -5.220 5.002 1.00 0.00 H new ATOM 0 HB2 GLN A 30 7.999 -7.501 5.251 1.00 0.00 H new ATOM 0 HB3 GLN A 30 9.733 -7.732 5.352 1.00 0.00 H new ATOM 0 HG2 GLN A 30 9.568 -5.841 7.206 1.00 0.00 H new ATOM 0 HG3 GLN A 30 7.889 -6.338 7.274 1.00 0.00 H new ATOM 0 HE21 GLN A 30 11.178 -7.809 7.159 1.00 0.00 H new ATOM 0 HE22 GLN A 30 10.846 -9.056 8.366 1.00 0.00 H new ATOM 437 N PRO A 31 10.766 -6.304 2.879 1.00 0.00 N ATOM 438 CA PRO A 31 11.232 -6.721 1.554 1.00 0.00 C ATOM 439 C PRO A 31 11.009 -8.209 1.303 1.00 0.00 C ATOM 440 O PRO A 31 10.831 -8.986 2.241 1.00 0.00 O ATOM 441 CB PRO A 31 12.729 -6.403 1.588 1.00 0.00 C ATOM 442 CG PRO A 31 13.092 -6.444 3.032 1.00 0.00 C ATOM 443 CD PRO A 31 11.880 -5.958 3.778 1.00 0.00 C ATOM 0 HA PRO A 31 10.693 -6.214 0.754 1.00 0.00 H new ATOM 0 HB2 PRO A 31 13.302 -7.132 1.015 1.00 0.00 H new ATOM 0 HB3 PRO A 31 12.936 -5.424 1.155 1.00 0.00 H new ATOM 0 HG2 PRO A 31 13.359 -7.455 3.339 1.00 0.00 H new ATOM 0 HG3 PRO A 31 13.955 -5.811 3.235 1.00 0.00 H new ATOM 0 HD2 PRO A 31 11.781 -6.447 4.747 1.00 0.00 H new ATOM 0 HD3 PRO A 31 11.927 -4.885 3.966 1.00 0.00 H new ATOM 451 N SER A 32 11.021 -8.598 0.032 1.00 0.00 N ATOM 452 CA SER A 32 10.817 -9.993 -0.342 1.00 0.00 C ATOM 453 C SER A 32 12.147 -10.737 -0.411 1.00 0.00 C ATOM 454 O SER A 32 13.137 -10.214 -0.920 1.00 0.00 O ATOM 455 CB SER A 32 10.099 -10.082 -1.690 1.00 0.00 C ATOM 456 OG SER A 32 10.573 -9.092 -2.586 1.00 0.00 O ATOM 0 H SER A 32 11.170 -7.967 -0.756 1.00 0.00 H new ATOM 0 HA SER A 32 10.198 -10.462 0.423 1.00 0.00 H new ATOM 0 HB2 SER A 32 10.251 -11.071 -2.122 1.00 0.00 H new ATOM 0 HB3 SER A 32 9.026 -9.960 -1.543 1.00 0.00 H new ATOM 0 HG SER A 32 11.091 -9.518 -3.300 1.00 0.00 H new ATOM 462 N ALA A 33 12.160 -11.962 0.105 1.00 0.00 N ATOM 463 CA ALA A 33 13.366 -12.780 0.101 1.00 0.00 C ATOM 464 C ALA A 33 13.423 -13.667 -1.138 1.00 0.00 C ATOM 465 O ALA A 33 14.176 -14.639 -1.184 1.00 0.00 O ATOM 466 CB ALA A 33 13.434 -13.627 1.362 1.00 0.00 C ATOM 0 H ALA A 33 11.348 -12.409 0.531 1.00 0.00 H new ATOM 0 HA ALA A 33 14.228 -12.113 0.078 1.00 0.00 H new ATOM 0 HB1 ALA A 33 14.340 -14.233 1.345 1.00 0.00 H new ATOM 0 HB2 ALA A 33 13.449 -12.977 2.237 1.00 0.00 H new ATOM 0 HB3 ALA A 33 12.562 -14.280 1.409 1.00 0.00 H new ATOM 472 N GLY A 34 12.621 -13.326 -2.143 1.00 0.00 N ATOM 473 CA GLY A 34 12.596 -14.103 -3.368 1.00 0.00 C ATOM 474 C GLY A 34 11.710 -13.481 -4.430 1.00 0.00 C ATOM 475 O GLY A 34 11.964 -13.631 -5.625 1.00 0.00 O ATOM 0 H GLY A 34 11.989 -12.526 -2.130 1.00 0.00 H new ATOM 0 HA2 GLY A 34 13.610 -14.198 -3.755 1.00 0.00 H new ATOM 0 HA3 GLY A 34 12.243 -15.111 -3.149 1.00 0.00 H new ATOM 479 N ALA A 35 10.668 -12.782 -3.994 1.00 0.00 N ATOM 480 CA ALA A 35 9.742 -12.135 -4.916 1.00 0.00 C ATOM 481 C ALA A 35 10.490 -11.286 -5.939 1.00 0.00 C ATOM 482 O ALA A 35 11.686 -11.030 -5.794 1.00 0.00 O ATOM 483 CB ALA A 35 8.742 -11.283 -4.149 1.00 0.00 C ATOM 0 H ALA A 35 10.443 -12.649 -3.008 1.00 0.00 H new ATOM 0 HA ALA A 35 9.201 -12.913 -5.455 1.00 0.00 H new ATOM 0 HB1 ALA A 35 8.057 -10.806 -4.850 1.00 0.00 H new ATOM 0 HB2 ALA A 35 8.177 -11.914 -3.463 1.00 0.00 H new ATOM 0 HB3 ALA A 35 9.274 -10.518 -3.584 1.00 0.00 H new ATOM 489 N THR A 36 9.778 -10.851 -6.974 1.00 0.00 N ATOM 490 CA THR A 36 10.374 -10.032 -8.022 1.00 0.00 C ATOM 491 C THR A 36 9.805 -8.618 -8.005 1.00 0.00 C ATOM 492 O THR A 36 10.454 -7.671 -8.451 1.00 0.00 O ATOM 493 CB THR A 36 10.147 -10.649 -9.415 1.00 0.00 C ATOM 494 OG1 THR A 36 10.199 -9.628 -10.417 1.00 0.00 O ATOM 495 CG2 THR A 36 8.804 -11.361 -9.478 1.00 0.00 C ATOM 0 H THR A 36 8.787 -11.053 -7.109 1.00 0.00 H new ATOM 0 HA THR A 36 11.445 -9.992 -7.821 1.00 0.00 H new ATOM 0 HB THR A 36 10.936 -11.378 -9.599 1.00 0.00 H new ATOM 0 HG1 THR A 36 9.306 -9.244 -10.540 1.00 0.00 H new ATOM 0 HG21 THR A 36 8.665 -11.789 -10.471 1.00 0.00 H new ATOM 0 HG22 THR A 36 8.779 -12.156 -8.733 1.00 0.00 H new ATOM 0 HG23 THR A 36 8.005 -10.648 -9.275 1.00 0.00 H new ATOM 503 N HIS A 37 8.588 -8.481 -7.489 1.00 0.00 N ATOM 504 CA HIS A 37 7.931 -7.181 -7.413 1.00 0.00 C ATOM 505 C HIS A 37 6.676 -7.255 -6.549 1.00 0.00 C ATOM 506 O HIS A 37 6.139 -8.337 -6.309 1.00 0.00 O ATOM 507 CB HIS A 37 7.571 -6.686 -8.814 1.00 0.00 C ATOM 508 CG HIS A 37 6.980 -7.746 -9.691 1.00 0.00 C ATOM 509 ND1 HIS A 37 7.738 -8.549 -10.517 1.00 0.00 N ATOM 510 CD2 HIS A 37 5.696 -8.135 -9.866 1.00 0.00 C ATOM 511 CE1 HIS A 37 6.946 -9.385 -11.164 1.00 0.00 C ATOM 512 NE2 HIS A 37 5.701 -9.155 -10.786 1.00 0.00 N ATOM 0 H HIS A 37 8.037 -9.254 -7.117 1.00 0.00 H new ATOM 0 HA HIS A 37 8.625 -6.477 -6.954 1.00 0.00 H new ATOM 0 HB2 HIS A 37 6.864 -5.861 -8.728 1.00 0.00 H new ATOM 0 HB3 HIS A 37 8.467 -6.289 -9.291 1.00 0.00 H new ATOM 0 HD2 HIS A 37 4.829 -7.721 -9.374 1.00 0.00 H new ATOM 0 HE1 HIS A 37 7.262 -10.129 -11.880 1.00 0.00 H new ATOM 0 HE2 HIS A 37 4.877 -9.654 -11.123 1.00 0.00 H new ATOM 521 N TYR A 38 6.214 -6.100 -6.084 1.00 0.00 N ATOM 522 CA TYR A 38 5.025 -6.035 -5.244 1.00 0.00 C ATOM 523 C TYR A 38 3.875 -5.352 -5.979 1.00 0.00 C ATOM 524 O TYR A 38 4.069 -4.342 -6.658 1.00 0.00 O ATOM 525 CB TYR A 38 5.331 -5.285 -3.946 1.00 0.00 C ATOM 526 CG TYR A 38 6.091 -6.113 -2.934 1.00 0.00 C ATOM 527 CD1 TYR A 38 7.460 -6.316 -3.060 1.00 0.00 C ATOM 528 CD2 TYR A 38 5.439 -6.691 -1.852 1.00 0.00 C ATOM 529 CE1 TYR A 38 8.157 -7.072 -2.138 1.00 0.00 C ATOM 530 CE2 TYR A 38 6.129 -7.448 -0.924 1.00 0.00 C ATOM 531 CZ TYR A 38 7.487 -7.636 -1.072 1.00 0.00 C ATOM 532 OH TYR A 38 8.179 -8.388 -0.150 1.00 0.00 O ATOM 0 H TYR A 38 6.645 -5.196 -6.275 1.00 0.00 H new ATOM 0 HA TYR A 38 4.725 -7.055 -5.004 1.00 0.00 H new ATOM 0 HB2 TYR A 38 5.910 -4.391 -4.180 1.00 0.00 H new ATOM 0 HB3 TYR A 38 4.394 -4.951 -3.500 1.00 0.00 H new ATOM 0 HD1 TYR A 38 7.988 -5.875 -3.893 1.00 0.00 H new ATOM 0 HD2 TYR A 38 4.375 -6.546 -1.734 1.00 0.00 H new ATOM 0 HE1 TYR A 38 9.221 -7.221 -2.251 1.00 0.00 H new ATOM 0 HE2 TYR A 38 5.608 -7.890 -0.088 1.00 0.00 H new ATOM 0 HH TYR A 38 8.326 -7.858 0.661 1.00 0.00 H new ATOM 542 N LEU A 39 2.678 -5.909 -5.839 1.00 0.00 N ATOM 543 CA LEU A 39 1.495 -5.355 -6.488 1.00 0.00 C ATOM 544 C LEU A 39 0.702 -4.481 -5.522 1.00 0.00 C ATOM 545 O LEU A 39 0.211 -4.958 -4.498 1.00 0.00 O ATOM 546 CB LEU A 39 0.607 -6.481 -7.022 1.00 0.00 C ATOM 547 CG LEU A 39 -0.582 -6.048 -7.880 1.00 0.00 C ATOM 548 CD1 LEU A 39 -1.453 -5.057 -7.123 1.00 0.00 C ATOM 549 CD2 LEU A 39 -0.102 -5.446 -9.192 1.00 0.00 C ATOM 0 H LEU A 39 2.500 -6.745 -5.282 1.00 0.00 H new ATOM 0 HA LEU A 39 1.825 -4.735 -7.321 1.00 0.00 H new ATOM 0 HB2 LEU A 39 1.227 -7.157 -7.610 1.00 0.00 H new ATOM 0 HB3 LEU A 39 0.229 -7.052 -6.174 1.00 0.00 H new ATOM 0 HG LEU A 39 -1.182 -6.929 -8.107 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -2.294 -4.760 -7.749 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -1.826 -5.523 -6.211 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -0.864 -4.177 -6.866 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -0.962 -5.144 -9.790 1.00 0.00 H new ATOM 0 HD22 LEU A 39 0.521 -4.576 -8.987 1.00 0.00 H new ATOM 0 HD23 LEU A 39 0.479 -6.187 -9.741 1.00 0.00 H new ATOM 561 N VAL A 40 0.579 -3.200 -5.854 1.00 0.00 N ATOM 562 CA VAL A 40 -0.158 -2.261 -5.018 1.00 0.00 C ATOM 563 C VAL A 40 -1.550 -1.998 -5.581 1.00 0.00 C ATOM 564 O VAL A 40 -1.699 -1.609 -6.739 1.00 0.00 O ATOM 565 CB VAL A 40 0.591 -0.921 -4.885 1.00 0.00 C ATOM 566 CG1 VAL A 40 -0.287 0.116 -4.202 1.00 0.00 C ATOM 567 CG2 VAL A 40 1.894 -1.113 -4.123 1.00 0.00 C ATOM 0 H VAL A 40 0.981 -2.789 -6.697 1.00 0.00 H new ATOM 0 HA VAL A 40 -0.248 -2.719 -4.033 1.00 0.00 H new ATOM 0 HB VAL A 40 0.831 -0.558 -5.884 1.00 0.00 H new ATOM 0 HG11 VAL A 40 0.259 1.056 -4.117 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -1.190 0.273 -4.792 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -0.560 -0.236 -3.207 1.00 0.00 H new ATOM 0 HG21 VAL A 40 2.410 -0.157 -4.038 1.00 0.00 H new ATOM 0 HG22 VAL A 40 1.679 -1.499 -3.127 1.00 0.00 H new ATOM 0 HG23 VAL A 40 2.527 -1.821 -4.658 1.00 0.00 H new ATOM 577 N ARG A 41 -2.567 -2.212 -4.753 1.00 0.00 N ATOM 578 CA ARG A 41 -3.948 -2.000 -5.168 1.00 0.00 C ATOM 579 C ARG A 41 -4.611 -0.918 -4.319 1.00 0.00 C ATOM 580 O ARG A 41 -4.911 -1.134 -3.145 1.00 0.00 O ATOM 581 CB ARG A 41 -4.742 -3.303 -5.062 1.00 0.00 C ATOM 582 CG ARG A 41 -5.876 -3.409 -6.069 1.00 0.00 C ATOM 583 CD ARG A 41 -6.905 -4.444 -5.641 1.00 0.00 C ATOM 584 NE ARG A 41 -7.699 -3.989 -4.503 1.00 0.00 N ATOM 585 CZ ARG A 41 -8.615 -4.739 -3.900 1.00 0.00 C ATOM 586 NH1 ARG A 41 -8.850 -5.973 -4.323 1.00 0.00 N ATOM 587 NH2 ARG A 41 -9.297 -4.254 -2.870 1.00 0.00 N ATOM 0 H ARG A 41 -2.460 -2.532 -3.790 1.00 0.00 H new ATOM 0 HA ARG A 41 -3.941 -1.670 -6.207 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -4.063 -4.144 -5.202 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -5.152 -3.388 -4.056 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -6.359 -2.438 -6.179 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -5.473 -3.677 -7.046 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -7.566 -4.666 -6.479 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -6.398 -5.373 -5.381 1.00 0.00 H new ATOM 0 HE ARG A 41 -7.542 -3.044 -4.152 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -8.327 -6.349 -5.114 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -9.554 -6.546 -3.858 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -9.118 -3.305 -2.541 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -10.000 -4.830 -2.407 1.00 0.00 H new ATOM 601 N CYS A 42 -4.835 0.244 -4.922 1.00 0.00 N ATOM 602 CA CYS A 42 -5.461 1.360 -4.221 1.00 0.00 C ATOM 603 C CYS A 42 -6.957 1.417 -4.515 1.00 0.00 C ATOM 604 O CYS A 42 -7.371 1.441 -5.674 1.00 0.00 O ATOM 605 CB CYS A 42 -4.799 2.679 -4.625 1.00 0.00 C ATOM 606 SG CYS A 42 -2.994 2.611 -4.685 1.00 0.00 S ATOM 0 H CYS A 42 -4.593 0.438 -5.894 1.00 0.00 H new ATOM 0 HA CYS A 42 -5.325 1.206 -3.150 1.00 0.00 H new ATOM 0 HB2 CYS A 42 -5.173 2.976 -5.605 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -5.099 3.455 -3.921 1.00 0.00 H new ATOM 0 HG CYS A 42 -2.619 1.983 -5.760 1.00 0.00 H new ATOM 612 N SER A 43 -7.762 1.436 -3.457 1.00 0.00 N ATOM 613 CA SER A 43 -9.212 1.483 -3.602 1.00 0.00 C ATOM 614 C SER A 43 -9.847 2.258 -2.451 1.00 0.00 C ATOM 615 O SER A 43 -9.393 2.205 -1.308 1.00 0.00 O ATOM 616 CB SER A 43 -9.787 0.067 -3.657 1.00 0.00 C ATOM 617 OG SER A 43 -10.102 -0.407 -2.359 1.00 0.00 O ATOM 0 H SER A 43 -7.435 1.420 -2.491 1.00 0.00 H new ATOM 0 HA SER A 43 -9.443 1.997 -4.535 1.00 0.00 H new ATOM 0 HB2 SER A 43 -10.683 0.059 -4.278 1.00 0.00 H new ATOM 0 HB3 SER A 43 -9.067 -0.603 -4.127 1.00 0.00 H new ATOM 0 HG SER A 43 -10.469 -1.313 -2.422 1.00 0.00 H new ATOM 623 N PRO A 44 -10.924 2.995 -2.758 1.00 0.00 N ATOM 624 CA PRO A 44 -11.646 3.795 -1.764 1.00 0.00 C ATOM 625 C PRO A 44 -12.403 2.929 -0.763 1.00 0.00 C ATOM 626 O PRO A 44 -13.046 1.948 -1.137 1.00 0.00 O ATOM 627 CB PRO A 44 -12.625 4.614 -2.610 1.00 0.00 C ATOM 628 CG PRO A 44 -12.827 3.805 -3.844 1.00 0.00 C ATOM 629 CD PRO A 44 -11.521 3.105 -4.100 1.00 0.00 C ATOM 0 HA PRO A 44 -10.971 4.403 -1.161 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -13.566 4.774 -2.083 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -12.219 5.598 -2.844 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -13.635 3.086 -3.711 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -13.101 4.440 -4.686 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -11.672 2.126 -4.554 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -10.885 3.675 -4.777 1.00 0.00 H new ATOM 637 N ALA A 45 -12.324 3.299 0.511 1.00 0.00 N ATOM 638 CA ALA A 45 -13.004 2.557 1.566 1.00 0.00 C ATOM 639 C ALA A 45 -14.510 2.792 1.519 1.00 0.00 C ATOM 640 O ALA A 45 -15.292 1.958 1.974 1.00 0.00 O ATOM 641 CB ALA A 45 -12.449 2.947 2.928 1.00 0.00 C ATOM 0 H ALA A 45 -11.796 4.108 0.838 1.00 0.00 H new ATOM 0 HA ALA A 45 -12.823 1.494 1.403 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -12.966 2.385 3.706 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -11.383 2.721 2.965 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -12.600 4.014 3.090 1.00 0.00 H new ATOM 761 N ARG A 54 -7.857 0.543 -8.347 1.00 0.00 N ATOM 762 CA ARG A 54 -6.510 0.893 -8.781 1.00 0.00 C ATOM 763 C ARG A 54 -5.576 -0.309 -8.679 1.00 0.00 C ATOM 764 O ARG A 54 -5.645 -1.080 -7.723 1.00 0.00 O ATOM 765 CB ARG A 54 -5.965 2.049 -7.941 1.00 0.00 C ATOM 766 CG ARG A 54 -4.985 2.938 -8.690 1.00 0.00 C ATOM 767 CD ARG A 54 -4.207 3.834 -7.739 1.00 0.00 C ATOM 768 NE ARG A 54 -3.422 4.838 -8.453 1.00 0.00 N ATOM 769 CZ ARG A 54 -3.955 5.887 -9.068 1.00 0.00 C ATOM 770 NH1 ARG A 54 -5.269 6.070 -9.057 1.00 0.00 N ATOM 771 NH2 ARG A 54 -3.175 6.757 -9.696 1.00 0.00 N ATOM 0 HA ARG A 54 -6.561 1.204 -9.825 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -6.799 2.657 -7.591 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -5.472 1.644 -7.057 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -4.291 2.319 -9.258 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -5.526 3.552 -9.410 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -4.900 4.331 -7.060 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -3.544 3.223 -7.126 1.00 0.00 H new ATOM 0 HE ARG A 54 -2.408 4.727 -8.481 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -5.873 5.404 -8.575 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -5.676 6.877 -9.530 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -2.164 6.621 -9.707 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -3.586 7.562 -10.168 1.00 0.00 H new ATOM 785 N GLU A 55 -4.705 -0.461 -9.672 1.00 0.00 N ATOM 786 CA GLU A 55 -3.758 -1.570 -9.693 1.00 0.00 C ATOM 787 C GLU A 55 -2.437 -1.146 -10.329 1.00 0.00 C ATOM 788 O GLU A 55 -2.384 -0.817 -11.514 1.00 0.00 O ATOM 789 CB GLU A 55 -4.347 -2.757 -10.458 1.00 0.00 C ATOM 790 CG GLU A 55 -5.760 -3.117 -10.029 1.00 0.00 C ATOM 791 CD GLU A 55 -6.191 -4.483 -10.527 1.00 0.00 C ATOM 792 OE1 GLU A 55 -5.625 -4.951 -11.537 1.00 0.00 O ATOM 793 OE2 GLU A 55 -7.093 -5.084 -9.907 1.00 0.00 O ATOM 0 H GLU A 55 -4.636 0.169 -10.471 1.00 0.00 H new ATOM 0 HA GLU A 55 -3.565 -1.870 -8.663 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -4.347 -2.528 -11.524 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -3.702 -3.624 -10.319 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -5.822 -3.095 -8.941 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -6.452 -2.363 -10.403 1.00 0.00 H new ATOM 800 N VAL A 56 -1.374 -1.156 -9.532 1.00 0.00 N ATOM 801 CA VAL A 56 -0.052 -0.774 -10.016 1.00 0.00 C ATOM 802 C VAL A 56 1.026 -1.695 -9.456 1.00 0.00 C ATOM 803 O VAL A 56 0.809 -2.387 -8.462 1.00 0.00 O ATOM 804 CB VAL A 56 0.284 0.681 -9.639 1.00 0.00 C ATOM 805 CG1 VAL A 56 -0.529 1.652 -10.482 1.00 0.00 C ATOM 806 CG2 VAL A 56 0.041 0.917 -8.156 1.00 0.00 C ATOM 0 H VAL A 56 -1.402 -1.424 -8.548 1.00 0.00 H new ATOM 0 HA VAL A 56 -0.074 -0.865 -11.102 1.00 0.00 H new ATOM 0 HB VAL A 56 1.340 0.856 -9.843 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -0.278 2.675 -10.202 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -0.300 1.498 -11.537 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -1.592 1.479 -10.312 1.00 0.00 H new ATOM 0 HG21 VAL A 56 0.284 1.950 -7.907 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -1.006 0.724 -7.924 1.00 0.00 H new ATOM 0 HG23 VAL A 56 0.671 0.246 -7.573 1.00 0.00 H new ATOM 816 N GLN A 57 2.189 -1.696 -10.100 1.00 0.00 N ATOM 817 CA GLN A 57 3.301 -2.532 -9.665 1.00 0.00 C ATOM 818 C GLN A 57 4.496 -1.677 -9.255 1.00 0.00 C ATOM 819 O GLN A 57 4.800 -0.669 -9.893 1.00 0.00 O ATOM 820 CB GLN A 57 3.708 -3.497 -10.780 1.00 0.00 C ATOM 821 CG GLN A 57 2.956 -4.817 -10.745 1.00 0.00 C ATOM 822 CD GLN A 57 2.910 -5.498 -12.099 1.00 0.00 C ATOM 823 OE1 GLN A 57 3.757 -6.334 -12.416 1.00 0.00 O ATOM 824 NE2 GLN A 57 1.917 -5.144 -12.907 1.00 0.00 N ATOM 0 H GLN A 57 2.385 -1.128 -10.924 1.00 0.00 H new ATOM 0 HA GLN A 57 2.974 -3.107 -8.799 1.00 0.00 H new ATOM 0 HB2 GLN A 57 3.539 -3.017 -11.744 1.00 0.00 H new ATOM 0 HB3 GLN A 57 4.777 -3.695 -10.706 1.00 0.00 H new ATOM 0 HG2 GLN A 57 3.431 -5.482 -10.024 1.00 0.00 H new ATOM 0 HG3 GLN A 57 1.938 -4.642 -10.396 1.00 0.00 H new ATOM 0 HE21 GLN A 57 1.237 -4.447 -12.604 1.00 0.00 H new ATOM 0 HE22 GLN A 57 1.835 -5.569 -13.830 1.00 0.00 H new ATOM 833 N VAL A 58 5.171 -2.087 -8.185 1.00 0.00 N ATOM 834 CA VAL A 58 6.334 -1.360 -7.690 1.00 0.00 C ATOM 835 C VAL A 58 7.519 -2.295 -7.481 1.00 0.00 C ATOM 836 O VAL A 58 7.387 -3.355 -6.871 1.00 0.00 O ATOM 837 CB VAL A 58 6.023 -0.640 -6.365 1.00 0.00 C ATOM 838 CG1 VAL A 58 4.890 0.358 -6.552 1.00 0.00 C ATOM 839 CG2 VAL A 58 5.682 -1.648 -5.278 1.00 0.00 C ATOM 0 H VAL A 58 4.932 -2.919 -7.645 1.00 0.00 H new ATOM 0 HA VAL A 58 6.589 -0.619 -8.447 1.00 0.00 H new ATOM 0 HB VAL A 58 6.911 -0.091 -6.054 1.00 0.00 H new ATOM 0 HG11 VAL A 58 4.685 0.857 -5.605 1.00 0.00 H new ATOM 0 HG12 VAL A 58 5.177 1.099 -7.298 1.00 0.00 H new ATOM 0 HG13 VAL A 58 3.995 -0.166 -6.888 1.00 0.00 H new ATOM 0 HG21 VAL A 58 5.465 -1.121 -4.349 1.00 0.00 H new ATOM 0 HG22 VAL A 58 4.809 -2.227 -5.579 1.00 0.00 H new ATOM 0 HG23 VAL A 58 6.527 -2.319 -5.126 1.00 0.00 H new ATOM 849 N GLY A 59 8.680 -1.895 -7.993 1.00 0.00 N ATOM 850 CA GLY A 59 9.873 -2.709 -7.852 1.00 0.00 C ATOM 851 C GLY A 59 10.378 -2.754 -6.423 1.00 0.00 C ATOM 852 O GLY A 59 11.181 -3.618 -6.069 1.00 0.00 O ATOM 0 H GLY A 59 8.815 -1.022 -8.503 1.00 0.00 H new ATOM 0 HA2 GLY A 59 9.660 -3.723 -8.191 1.00 0.00 H new ATOM 0 HA3 GLY A 59 10.657 -2.315 -8.499 1.00 0.00 H new ATOM 856 N ARG A 60 9.908 -1.822 -5.601 1.00 0.00 N ATOM 857 CA ARG A 60 10.319 -1.758 -4.204 1.00 0.00 C ATOM 858 C ARG A 60 9.113 -1.867 -3.276 1.00 0.00 C ATOM 859 O ARG A 60 7.982 -1.554 -3.649 1.00 0.00 O ATOM 860 CB ARG A 60 11.070 -0.453 -3.930 1.00 0.00 C ATOM 861 CG ARG A 60 11.781 0.107 -5.151 1.00 0.00 C ATOM 862 CD ARG A 60 12.893 1.067 -4.756 1.00 0.00 C ATOM 863 NE ARG A 60 12.369 2.344 -4.278 1.00 0.00 N ATOM 864 CZ ARG A 60 13.138 3.346 -3.867 1.00 0.00 C ATOM 865 NH1 ARG A 60 14.458 3.221 -3.878 1.00 0.00 N ATOM 866 NH2 ARG A 60 12.587 4.477 -3.446 1.00 0.00 N ATOM 0 H ARG A 60 9.242 -1.101 -5.878 1.00 0.00 H new ATOM 0 HA ARG A 60 10.983 -2.600 -4.009 1.00 0.00 H new ATOM 0 HB2 ARG A 60 10.366 0.291 -3.557 1.00 0.00 H new ATOM 0 HB3 ARG A 60 11.802 -0.623 -3.140 1.00 0.00 H new ATOM 0 HG2 ARG A 60 12.197 -0.711 -5.739 1.00 0.00 H new ATOM 0 HG3 ARG A 60 11.062 0.623 -5.787 1.00 0.00 H new ATOM 0 HD2 ARG A 60 13.505 0.612 -3.977 1.00 0.00 H new ATOM 0 HD3 ARG A 60 13.544 1.240 -5.613 1.00 0.00 H new ATOM 0 HE ARG A 60 11.357 2.473 -4.259 1.00 0.00 H new ATOM 0 HH11 ARG A 60 14.885 2.354 -4.203 1.00 0.00 H new ATOM 0 HH12 ARG A 60 15.046 3.992 -3.562 1.00 0.00 H new ATOM 0 HH21 ARG A 60 11.572 4.578 -3.438 1.00 0.00 H new ATOM 0 HH22 ARG A 60 13.178 5.246 -3.131 1.00 0.00 H new ATOM 880 N PRO A 61 9.357 -2.321 -2.038 1.00 0.00 N ATOM 881 CA PRO A 61 8.303 -2.481 -1.031 1.00 0.00 C ATOM 882 C PRO A 61 7.763 -1.143 -0.540 1.00 0.00 C ATOM 883 O PRO A 61 6.918 -1.096 0.354 1.00 0.00 O ATOM 884 CB PRO A 61 9.010 -3.223 0.106 1.00 0.00 C ATOM 885 CG PRO A 61 10.449 -2.871 -0.048 1.00 0.00 C ATOM 886 CD PRO A 61 10.681 -2.712 -1.525 1.00 0.00 C ATOM 0 HA PRO A 61 7.436 -3.008 -1.428 1.00 0.00 H new ATOM 0 HB2 PRO A 61 8.629 -2.912 1.079 1.00 0.00 H new ATOM 0 HB3 PRO A 61 8.856 -4.300 0.032 1.00 0.00 H new ATOM 0 HG2 PRO A 61 10.685 -1.950 0.485 1.00 0.00 H new ATOM 0 HG3 PRO A 61 11.088 -3.651 0.366 1.00 0.00 H new ATOM 0 HD2 PRO A 61 11.434 -1.952 -1.734 1.00 0.00 H new ATOM 0 HD3 PRO A 61 11.030 -3.639 -1.979 1.00 0.00 H new ATOM 894 N GLU A 62 8.255 -0.058 -1.129 1.00 0.00 N ATOM 895 CA GLU A 62 7.820 1.281 -0.749 1.00 0.00 C ATOM 896 C GLU A 62 7.051 1.946 -1.887 1.00 0.00 C ATOM 897 O GLU A 62 7.535 2.023 -3.017 1.00 0.00 O ATOM 898 CB GLU A 62 9.025 2.141 -0.361 1.00 0.00 C ATOM 899 CG GLU A 62 9.819 2.649 -1.553 1.00 0.00 C ATOM 900 CD GLU A 62 11.153 3.248 -1.151 1.00 0.00 C ATOM 901 OE1 GLU A 62 11.151 4.285 -0.455 1.00 0.00 O ATOM 902 OE2 GLU A 62 12.198 2.682 -1.534 1.00 0.00 O ATOM 0 H GLU A 62 8.955 -0.080 -1.871 1.00 0.00 H new ATOM 0 HA GLU A 62 7.156 1.190 0.110 1.00 0.00 H new ATOM 0 HB2 GLU A 62 8.679 2.993 0.224 1.00 0.00 H new ATOM 0 HB3 GLU A 62 9.684 1.559 0.283 1.00 0.00 H new ATOM 0 HG2 GLU A 62 9.989 1.827 -2.249 1.00 0.00 H new ATOM 0 HG3 GLU A 62 9.232 3.400 -2.083 1.00 0.00 H new ATOM 909 N VAL A 63 5.850 2.426 -1.581 1.00 0.00 N ATOM 910 CA VAL A 63 5.013 3.085 -2.576 1.00 0.00 C ATOM 911 C VAL A 63 4.600 4.477 -2.111 1.00 0.00 C ATOM 912 O VAL A 63 4.343 4.697 -0.927 1.00 0.00 O ATOM 913 CB VAL A 63 3.749 2.261 -2.882 1.00 0.00 C ATOM 914 CG1 VAL A 63 2.858 2.174 -1.652 1.00 0.00 C ATOM 915 CG2 VAL A 63 2.993 2.862 -4.057 1.00 0.00 C ATOM 0 H VAL A 63 5.435 2.371 -0.651 1.00 0.00 H new ATOM 0 HA VAL A 63 5.609 3.171 -3.484 1.00 0.00 H new ATOM 0 HB VAL A 63 4.052 1.250 -3.154 1.00 0.00 H new ATOM 0 HG11 VAL A 63 1.969 1.588 -1.887 1.00 0.00 H new ATOM 0 HG12 VAL A 63 3.405 1.694 -0.840 1.00 0.00 H new ATOM 0 HG13 VAL A 63 2.561 3.177 -1.346 1.00 0.00 H new ATOM 0 HG21 VAL A 63 2.102 2.267 -4.259 1.00 0.00 H new ATOM 0 HG22 VAL A 63 2.700 3.884 -3.817 1.00 0.00 H new ATOM 0 HG23 VAL A 63 3.634 2.867 -4.938 1.00 0.00 H new ATOM 925 N LEU A 64 4.535 5.414 -3.051 1.00 0.00 N ATOM 926 CA LEU A 64 4.151 6.786 -2.738 1.00 0.00 C ATOM 927 C LEU A 64 3.102 7.295 -3.721 1.00 0.00 C ATOM 928 O LEU A 64 3.385 7.483 -4.906 1.00 0.00 O ATOM 929 CB LEU A 64 5.379 7.699 -2.766 1.00 0.00 C ATOM 930 CG LEU A 64 5.117 9.183 -2.509 1.00 0.00 C ATOM 931 CD1 LEU A 64 4.316 9.370 -1.230 1.00 0.00 C ATOM 932 CD2 LEU A 64 6.429 9.951 -2.435 1.00 0.00 C ATOM 0 H LEU A 64 4.743 5.249 -4.036 1.00 0.00 H new ATOM 0 HA LEU A 64 3.720 6.798 -1.737 1.00 0.00 H new ATOM 0 HB2 LEU A 64 6.090 7.342 -2.021 1.00 0.00 H new ATOM 0 HB3 LEU A 64 5.860 7.599 -3.739 1.00 0.00 H new ATOM 0 HG LEU A 64 4.533 9.578 -3.340 1.00 0.00 H new ATOM 0 HD11 LEU A 64 4.139 10.433 -1.063 1.00 0.00 H new ATOM 0 HD12 LEU A 64 3.361 8.853 -1.320 1.00 0.00 H new ATOM 0 HD13 LEU A 64 4.873 8.959 -0.388 1.00 0.00 H new ATOM 0 HD21 LEU A 64 6.223 11.006 -2.252 1.00 0.00 H new ATOM 0 HD22 LEU A 64 7.038 9.553 -1.623 1.00 0.00 H new ATOM 0 HD23 LEU A 64 6.966 9.845 -3.377 1.00 0.00 H new ATOM 944 N LEU A 65 1.892 7.520 -3.223 1.00 0.00 N ATOM 945 CA LEU A 65 0.800 8.010 -4.057 1.00 0.00 C ATOM 946 C LEU A 65 0.697 9.530 -3.981 1.00 0.00 C ATOM 947 O LEU A 65 0.475 10.094 -2.909 1.00 0.00 O ATOM 948 CB LEU A 65 -0.523 7.376 -3.625 1.00 0.00 C ATOM 949 CG LEU A 65 -0.587 5.849 -3.686 1.00 0.00 C ATOM 950 CD1 LEU A 65 -1.784 5.333 -2.901 1.00 0.00 C ATOM 951 CD2 LEU A 65 -0.650 5.376 -5.130 1.00 0.00 C ATOM 0 H LEU A 65 1.642 7.371 -2.245 1.00 0.00 H new ATOM 0 HA LEU A 65 1.010 7.729 -5.089 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -0.736 7.688 -2.603 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -1.318 7.778 -4.253 1.00 0.00 H new ATOM 0 HG LEU A 65 0.319 5.448 -3.232 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -1.813 4.245 -2.956 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -1.696 5.642 -1.859 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -2.701 5.742 -3.325 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -0.695 4.287 -5.155 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -1.539 5.787 -5.609 1.00 0.00 H new ATOM 0 HD23 LEU A 65 0.239 5.714 -5.663 1.00 0.00 H new ATOM 963 N ASP A 66 0.857 10.187 -5.124 1.00 0.00 N ATOM 964 CA ASP A 66 0.779 11.642 -5.188 1.00 0.00 C ATOM 965 C ASP A 66 -0.559 12.089 -5.768 1.00 0.00 C ATOM 966 O ASP A 66 -1.125 11.423 -6.634 1.00 0.00 O ATOM 967 CB ASP A 66 1.927 12.199 -6.032 1.00 0.00 C ATOM 968 CG ASP A 66 2.024 11.532 -7.390 1.00 0.00 C ATOM 969 OD1 ASP A 66 1.241 11.902 -8.289 1.00 0.00 O ATOM 970 OD2 ASP A 66 2.883 10.640 -7.553 1.00 0.00 O ATOM 0 H ASP A 66 1.042 9.735 -6.020 1.00 0.00 H new ATOM 0 HA ASP A 66 0.863 12.031 -4.173 1.00 0.00 H new ATOM 0 HB2 ASP A 66 1.788 13.272 -6.166 1.00 0.00 H new ATOM 0 HB3 ASP A 66 2.867 12.064 -5.496 1.00 0.00 H new ATOM 975 N GLY A 67 -1.059 13.222 -5.284 1.00 0.00 N ATOM 976 CA GLY A 67 -2.327 13.738 -5.765 1.00 0.00 C ATOM 977 C GLY A 67 -3.514 13.088 -5.083 1.00 0.00 C ATOM 978 O GLY A 67 -4.306 12.396 -5.725 1.00 0.00 O ATOM 0 H GLY A 67 -0.609 13.791 -4.568 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -2.363 14.815 -5.601 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -2.397 13.577 -6.841 1.00 0.00 H new ATOM 982 N LEU A 68 -3.639 13.308 -3.779 1.00 0.00 N ATOM 983 CA LEU A 68 -4.738 12.736 -3.008 1.00 0.00 C ATOM 984 C LEU A 68 -5.513 13.826 -2.276 1.00 0.00 C ATOM 985 O LEU A 68 -5.140 14.998 -2.313 1.00 0.00 O ATOM 986 CB LEU A 68 -4.204 11.712 -2.005 1.00 0.00 C ATOM 987 CG LEU A 68 -3.493 10.497 -2.600 1.00 0.00 C ATOM 988 CD1 LEU A 68 -2.515 9.906 -1.596 1.00 0.00 C ATOM 989 CD2 LEU A 68 -4.505 9.450 -3.042 1.00 0.00 C ATOM 0 H LEU A 68 -2.993 13.878 -3.233 1.00 0.00 H new ATOM 0 HA LEU A 68 -5.415 12.237 -3.701 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -3.512 12.219 -1.332 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -5.038 11.359 -1.398 1.00 0.00 H new ATOM 0 HG LEU A 68 -2.931 10.822 -3.476 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -2.018 9.042 -2.037 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -1.770 10.656 -1.329 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -3.055 9.596 -0.701 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -3.981 8.592 -3.463 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -5.095 9.129 -2.184 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -5.165 9.878 -3.796 1.00 0.00 H new ATOM 1001 N GLU A 69 -6.593 13.431 -1.609 1.00 0.00 N ATOM 1002 CA GLU A 69 -7.420 14.375 -0.867 1.00 0.00 C ATOM 1003 C GLU A 69 -7.263 14.171 0.637 1.00 0.00 C ATOM 1004 O GLU A 69 -7.155 13.047 1.129 1.00 0.00 O ATOM 1005 CB GLU A 69 -8.890 14.220 -1.262 1.00 0.00 C ATOM 1006 CG GLU A 69 -9.251 14.930 -2.556 1.00 0.00 C ATOM 1007 CD GLU A 69 -8.890 16.403 -2.533 1.00 0.00 C ATOM 1008 OE1 GLU A 69 -9.529 17.159 -1.773 1.00 0.00 O ATOM 1009 OE2 GLU A 69 -7.968 16.798 -3.277 1.00 0.00 O ATOM 0 H GLU A 69 -6.915 12.464 -1.567 1.00 0.00 H new ATOM 0 HA GLU A 69 -7.088 15.383 -1.117 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -9.120 13.159 -1.363 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -9.516 14.607 -0.458 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -8.737 14.447 -3.387 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -10.321 14.825 -2.738 1.00 0.00 H new ATOM 1016 N PRO A 70 -7.248 15.283 1.387 1.00 0.00 N ATOM 1017 CA PRO A 70 -7.104 15.254 2.845 1.00 0.00 C ATOM 1018 C PRO A 70 -8.338 14.686 3.538 1.00 0.00 C ATOM 1019 O PRO A 70 -9.462 14.867 3.072 1.00 0.00 O ATOM 1020 CB PRO A 70 -6.914 16.727 3.213 1.00 0.00 C ATOM 1021 CG PRO A 70 -7.572 17.481 2.109 1.00 0.00 C ATOM 1022 CD PRO A 70 -7.371 16.656 0.868 1.00 0.00 C ATOM 0 HA PRO A 70 -6.281 14.613 3.160 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -7.370 16.957 4.176 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -5.857 16.982 3.292 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -8.633 17.626 2.314 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -7.131 18.471 1.995 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -8.212 16.752 0.181 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -6.478 16.961 0.323 1.00 0.00 H new ATOM 1030 N GLY A 71 -8.120 13.998 4.655 1.00 0.00 N ATOM 1031 CA GLY A 71 -9.224 13.414 5.394 1.00 0.00 C ATOM 1032 C GLY A 71 -10.012 12.417 4.568 1.00 0.00 C ATOM 1033 O GLY A 71 -11.241 12.473 4.522 1.00 0.00 O ATOM 0 H GLY A 71 -7.199 13.835 5.061 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -8.839 12.919 6.285 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -9.890 14.207 5.733 1.00 0.00 H new ATOM 1037 N ARG A 72 -9.304 11.503 3.913 1.00 0.00 N ATOM 1038 CA ARG A 72 -9.945 10.492 3.082 1.00 0.00 C ATOM 1039 C ARG A 72 -9.413 9.100 3.411 1.00 0.00 C ATOM 1040 O ARG A 72 -8.208 8.908 3.575 1.00 0.00 O ATOM 1041 CB ARG A 72 -9.718 10.799 1.600 1.00 0.00 C ATOM 1042 CG ARG A 72 -10.794 10.232 0.689 1.00 0.00 C ATOM 1043 CD ARG A 72 -12.080 11.039 0.775 1.00 0.00 C ATOM 1044 NE ARG A 72 -12.852 10.713 1.972 1.00 0.00 N ATOM 1045 CZ ARG A 72 -13.760 11.523 2.504 1.00 0.00 C ATOM 1046 NH1 ARG A 72 -14.009 12.701 1.948 1.00 0.00 N ATOM 1047 NH2 ARG A 72 -14.422 11.155 3.594 1.00 0.00 N ATOM 0 H ARG A 72 -8.286 11.442 3.942 1.00 0.00 H new ATOM 0 HA ARG A 72 -11.015 10.512 3.290 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -9.671 11.880 1.464 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -8.750 10.398 1.299 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -10.435 10.227 -0.340 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -10.995 9.196 0.962 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -11.841 12.103 0.776 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -12.687 10.850 -0.110 1.00 0.00 H new ATOM 0 HE ARG A 72 -12.684 9.814 2.424 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -13.503 12.987 1.110 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -14.707 13.321 2.358 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -14.233 10.249 4.024 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -15.119 11.778 4.002 1.00 0.00 H new ATOM 1061 N ASP A 73 -10.319 8.133 3.508 1.00 0.00 N ATOM 1062 CA ASP A 73 -9.941 6.759 3.817 1.00 0.00 C ATOM 1063 C ASP A 73 -9.633 5.980 2.542 1.00 0.00 C ATOM 1064 O ASP A 73 -10.374 6.056 1.562 1.00 0.00 O ATOM 1065 CB ASP A 73 -11.057 6.064 4.598 1.00 0.00 C ATOM 1066 CG ASP A 73 -12.435 6.554 4.198 1.00 0.00 C ATOM 1067 OD1 ASP A 73 -12.714 6.611 2.982 1.00 0.00 O ATOM 1068 OD2 ASP A 73 -13.234 6.880 5.100 1.00 0.00 O ATOM 0 H ASP A 73 -11.320 8.275 3.377 1.00 0.00 H new ATOM 0 HA ASP A 73 -9.041 6.785 4.431 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -10.995 4.988 4.434 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -10.910 6.233 5.665 1.00 0.00 H new ATOM 1073 N TYR A 74 -8.535 5.233 2.562 1.00 0.00 N ATOM 1074 CA TYR A 74 -8.127 4.442 1.407 1.00 0.00 C ATOM 1075 C TYR A 74 -7.820 3.004 1.812 1.00 0.00 C ATOM 1076 O TYR A 74 -7.594 2.714 2.986 1.00 0.00 O ATOM 1077 CB TYR A 74 -6.902 5.070 0.740 1.00 0.00 C ATOM 1078 CG TYR A 74 -7.194 6.380 0.045 1.00 0.00 C ATOM 1079 CD1 TYR A 74 -7.941 6.417 -1.126 1.00 0.00 C ATOM 1080 CD2 TYR A 74 -6.725 7.582 0.560 1.00 0.00 C ATOM 1081 CE1 TYR A 74 -8.210 7.612 -1.764 1.00 0.00 C ATOM 1082 CE2 TYR A 74 -6.990 8.782 -0.071 1.00 0.00 C ATOM 1083 CZ TYR A 74 -7.733 8.791 -1.233 1.00 0.00 C ATOM 1084 OH TYR A 74 -8.000 9.984 -1.865 1.00 0.00 O ATOM 0 H TYR A 74 -7.911 5.159 3.366 1.00 0.00 H new ATOM 0 HA TYR A 74 -8.953 4.430 0.696 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -6.132 5.233 1.494 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -6.494 4.367 0.014 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -8.318 5.495 -1.544 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -6.143 7.578 1.470 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -8.791 7.623 -2.674 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -6.618 9.707 0.343 1.00 0.00 H new ATOM 0 HH TYR A 74 -8.043 10.703 -1.201 1.00 0.00 H new ATOM 1094 N GLU A 75 -7.812 2.108 0.829 1.00 0.00 N ATOM 1095 CA GLU A 75 -7.533 0.700 1.083 1.00 0.00 C ATOM 1096 C GLU A 75 -6.415 0.195 0.175 1.00 0.00 C ATOM 1097 O GLU A 75 -6.666 -0.275 -0.935 1.00 0.00 O ATOM 1098 CB GLU A 75 -8.794 -0.140 0.872 1.00 0.00 C ATOM 1099 CG GLU A 75 -9.640 -0.293 2.125 1.00 0.00 C ATOM 1100 CD GLU A 75 -10.468 -1.563 2.118 1.00 0.00 C ATOM 1101 OE1 GLU A 75 -11.583 -1.541 1.555 1.00 0.00 O ATOM 1102 OE2 GLU A 75 -10.002 -2.578 2.676 1.00 0.00 O ATOM 0 H GLU A 75 -7.995 2.332 -0.149 1.00 0.00 H new ATOM 0 HA GLU A 75 -7.210 0.602 2.119 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -9.399 0.318 0.089 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -8.506 -1.129 0.515 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -8.990 -0.292 3.000 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -10.302 0.568 2.219 1.00 0.00 H new ATOM 1109 N VAL A 76 -5.179 0.296 0.655 1.00 0.00 N ATOM 1110 CA VAL A 76 -4.023 -0.150 -0.112 1.00 0.00 C ATOM 1111 C VAL A 76 -3.669 -1.596 0.218 1.00 0.00 C ATOM 1112 O VAL A 76 -3.283 -1.910 1.344 1.00 0.00 O ATOM 1113 CB VAL A 76 -2.795 0.741 0.154 1.00 0.00 C ATOM 1114 CG1 VAL A 76 -1.749 0.548 -0.934 1.00 0.00 C ATOM 1115 CG2 VAL A 76 -3.209 2.201 0.255 1.00 0.00 C ATOM 0 H VAL A 76 -4.953 0.683 1.571 1.00 0.00 H new ATOM 0 HA VAL A 76 -4.295 -0.077 -1.165 1.00 0.00 H new ATOM 0 HB VAL A 76 -2.353 0.446 1.105 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -0.889 1.186 -0.729 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -1.432 -0.495 -0.953 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -2.176 0.815 -1.901 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -2.329 2.816 0.443 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -3.676 2.512 -0.679 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -3.918 2.322 1.074 1.00 0.00 H new ATOM 1125 N SER A 77 -3.803 -2.473 -0.772 1.00 0.00 N ATOM 1126 CA SER A 77 -3.500 -3.887 -0.586 1.00 0.00 C ATOM 1127 C SER A 77 -2.208 -4.265 -1.303 1.00 0.00 C ATOM 1128 O SER A 77 -2.082 -4.090 -2.515 1.00 0.00 O ATOM 1129 CB SER A 77 -4.654 -4.749 -1.102 1.00 0.00 C ATOM 1130 OG SER A 77 -5.903 -4.125 -0.864 1.00 0.00 O ATOM 0 H SER A 77 -4.119 -2.229 -1.711 1.00 0.00 H new ATOM 0 HA SER A 77 -3.369 -4.068 0.481 1.00 0.00 H new ATOM 0 HB2 SER A 77 -4.530 -4.926 -2.170 1.00 0.00 H new ATOM 0 HB3 SER A 77 -4.631 -5.723 -0.613 1.00 0.00 H new ATOM 0 HG SER A 77 -6.624 -4.695 -1.204 1.00 0.00 H new ATOM 1136 N VAL A 78 -1.248 -4.786 -0.545 1.00 0.00 N ATOM 1137 CA VAL A 78 0.035 -5.190 -1.107 1.00 0.00 C ATOM 1138 C VAL A 78 0.127 -6.707 -1.231 1.00 0.00 C ATOM 1139 O VAL A 78 -0.421 -7.440 -0.409 1.00 0.00 O ATOM 1140 CB VAL A 78 1.209 -4.684 -0.247 1.00 0.00 C ATOM 1141 CG1 VAL A 78 2.534 -4.941 -0.947 1.00 0.00 C ATOM 1142 CG2 VAL A 78 1.040 -3.205 0.067 1.00 0.00 C ATOM 0 H VAL A 78 -1.335 -4.938 0.460 1.00 0.00 H new ATOM 0 HA VAL A 78 0.101 -4.742 -2.099 1.00 0.00 H new ATOM 0 HB VAL A 78 1.211 -5.234 0.694 1.00 0.00 H new ATOM 0 HG11 VAL A 78 3.351 -4.577 -0.324 1.00 0.00 H new ATOM 0 HG12 VAL A 78 2.655 -6.011 -1.115 1.00 0.00 H new ATOM 0 HG13 VAL A 78 2.547 -4.420 -1.904 1.00 0.00 H new ATOM 0 HG21 VAL A 78 1.878 -2.864 0.675 1.00 0.00 H new ATOM 0 HG22 VAL A 78 1.011 -2.637 -0.863 1.00 0.00 H new ATOM 0 HG23 VAL A 78 0.109 -3.053 0.614 1.00 0.00 H new ATOM 1152 N GLN A 79 0.825 -7.169 -2.263 1.00 0.00 N ATOM 1153 CA GLN A 79 0.988 -8.599 -2.495 1.00 0.00 C ATOM 1154 C GLN A 79 2.354 -8.900 -3.103 1.00 0.00 C ATOM 1155 O GLN A 79 2.801 -8.210 -4.020 1.00 0.00 O ATOM 1156 CB GLN A 79 -0.118 -9.118 -3.415 1.00 0.00 C ATOM 1157 CG GLN A 79 0.285 -10.343 -4.220 1.00 0.00 C ATOM 1158 CD GLN A 79 -0.790 -10.780 -5.196 1.00 0.00 C ATOM 1159 OE1 GLN A 79 -1.077 -12.076 -5.220 1.00 0.00 O flip ATOM 1160 NE2 GLN A 79 -1.357 -9.961 -5.920 1.00 0.00 N flip ATOM 0 H GLN A 79 1.286 -6.574 -2.951 1.00 0.00 H new ATOM 0 HA GLN A 79 0.919 -9.107 -1.533 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -0.995 -9.361 -2.814 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -0.411 -8.323 -4.101 1.00 0.00 H new ATOM 0 HG2 GLN A 79 1.202 -10.127 -4.768 1.00 0.00 H new ATOM 0 HG3 GLN A 79 0.507 -11.164 -3.538 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -1.105 -8.974 -5.868 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -2.079 -10.270 -6.571 1.00 0.00 H new ATOM 1169 N SER A 80 3.013 -9.932 -2.587 1.00 0.00 N ATOM 1170 CA SER A 80 4.330 -10.321 -3.077 1.00 0.00 C ATOM 1171 C SER A 80 4.211 -11.179 -4.333 1.00 0.00 C ATOM 1172 O SER A 80 3.659 -12.279 -4.298 1.00 0.00 O ATOM 1173 CB SER A 80 5.094 -11.086 -1.995 1.00 0.00 C ATOM 1174 OG SER A 80 4.952 -10.461 -0.731 1.00 0.00 O ATOM 0 H SER A 80 2.656 -10.514 -1.829 1.00 0.00 H new ATOM 0 HA SER A 80 4.879 -9.414 -3.328 1.00 0.00 H new ATOM 0 HB2 SER A 80 4.726 -12.110 -1.941 1.00 0.00 H new ATOM 0 HB3 SER A 80 6.150 -11.140 -2.261 1.00 0.00 H new ATOM 0 HG SER A 80 5.405 -9.592 -0.743 1.00 0.00 H new ATOM 1180 N LEU A 81 4.732 -10.667 -5.443 1.00 0.00 N ATOM 1181 CA LEU A 81 4.685 -11.384 -6.712 1.00 0.00 C ATOM 1182 C LEU A 81 6.012 -12.083 -6.992 1.00 0.00 C ATOM 1183 O LEU A 81 7.077 -11.470 -6.911 1.00 0.00 O ATOM 1184 CB LEU A 81 4.353 -10.421 -7.853 1.00 0.00 C ATOM 1185 CG LEU A 81 2.895 -9.971 -7.948 1.00 0.00 C ATOM 1186 CD1 LEU A 81 1.960 -11.168 -7.862 1.00 0.00 C ATOM 1187 CD2 LEU A 81 2.575 -8.963 -6.854 1.00 0.00 C ATOM 0 H LEU A 81 5.192 -9.758 -5.489 1.00 0.00 H new ATOM 0 HA LEU A 81 3.903 -12.141 -6.644 1.00 0.00 H new ATOM 0 HB2 LEU A 81 4.980 -9.535 -7.748 1.00 0.00 H new ATOM 0 HB3 LEU A 81 4.628 -10.896 -8.795 1.00 0.00 H new ATOM 0 HG LEU A 81 2.747 -9.488 -8.914 1.00 0.00 H new ATOM 0 HD11 LEU A 81 0.927 -10.828 -7.931 1.00 0.00 H new ATOM 0 HD12 LEU A 81 2.172 -11.855 -8.681 1.00 0.00 H new ATOM 0 HD13 LEU A 81 2.111 -11.680 -6.911 1.00 0.00 H new ATOM 0 HD21 LEU A 81 1.533 -8.654 -6.937 1.00 0.00 H new ATOM 0 HD22 LEU A 81 2.741 -9.420 -5.878 1.00 0.00 H new ATOM 0 HD23 LEU A 81 3.221 -8.092 -6.961 1.00 0.00 H new ATOM 1199 N ARG A 82 5.940 -13.368 -7.322 1.00 0.00 N ATOM 1200 CA ARG A 82 7.135 -14.150 -7.615 1.00 0.00 C ATOM 1201 C ARG A 82 7.238 -14.447 -9.108 1.00 0.00 C ATOM 1202 O ARG A 82 8.334 -14.592 -9.649 1.00 0.00 O ATOM 1203 CB ARG A 82 7.121 -15.459 -6.824 1.00 0.00 C ATOM 1204 CG ARG A 82 8.484 -16.123 -6.720 1.00 0.00 C ATOM 1205 CD ARG A 82 8.358 -17.613 -6.444 1.00 0.00 C ATOM 1206 NE ARG A 82 9.502 -18.363 -6.955 1.00 0.00 N ATOM 1207 CZ ARG A 82 9.485 -19.674 -7.170 1.00 0.00 C ATOM 1208 NH1 ARG A 82 8.389 -20.376 -6.919 1.00 0.00 N ATOM 1209 NH2 ARG A 82 10.566 -20.285 -7.638 1.00 0.00 N ATOM 0 H ARG A 82 5.067 -13.890 -7.393 1.00 0.00 H new ATOM 0 HA ARG A 82 8.004 -13.563 -7.318 1.00 0.00 H new ATOM 0 HB2 ARG A 82 6.744 -15.263 -5.820 1.00 0.00 H new ATOM 0 HB3 ARG A 82 6.424 -16.151 -7.296 1.00 0.00 H new ATOM 0 HG2 ARG A 82 9.037 -15.969 -7.647 1.00 0.00 H new ATOM 0 HG3 ARG A 82 9.060 -15.652 -5.923 1.00 0.00 H new ATOM 0 HD2 ARG A 82 8.268 -17.776 -5.370 1.00 0.00 H new ATOM 0 HD3 ARG A 82 7.444 -17.990 -6.902 1.00 0.00 H new ATOM 0 HE ARG A 82 10.361 -17.852 -7.158 1.00 0.00 H new ATOM 0 HH11 ARG A 82 7.556 -19.910 -6.560 1.00 0.00 H new ATOM 0 HH12 ARG A 82 8.379 -21.382 -7.085 1.00 0.00 H new ATOM 0 HH21 ARG A 82 11.411 -19.748 -7.833 1.00 0.00 H new ATOM 0 HH22 ARG A 82 10.552 -21.292 -7.803 1.00 0.00 H new ATOM 1223 N GLY A 83 6.088 -14.537 -9.770 1.00 0.00 N ATOM 1224 CA GLY A 83 6.071 -14.817 -11.193 1.00 0.00 C ATOM 1225 C GLY A 83 4.711 -15.281 -11.677 1.00 0.00 C ATOM 1226 O GLY A 83 3.865 -14.482 -12.079 1.00 0.00 O ATOM 0 H GLY A 83 5.168 -14.421 -9.345 1.00 0.00 H new ATOM 0 HA2 GLY A 83 6.361 -13.920 -11.740 1.00 0.00 H new ATOM 0 HA3 GLY A 83 6.814 -15.582 -11.418 1.00 0.00 H new ATOM 1230 N PRO A 84 4.487 -16.603 -11.642 1.00 0.00 N ATOM 1231 CA PRO A 84 3.222 -17.203 -12.078 1.00 0.00 C ATOM 1232 C PRO A 84 2.072 -16.884 -11.129 1.00 0.00 C ATOM 1233 O PRO A 84 0.997 -16.467 -11.560 1.00 0.00 O ATOM 1234 CB PRO A 84 3.520 -18.704 -12.070 1.00 0.00 C ATOM 1235 CG PRO A 84 4.623 -18.866 -11.082 1.00 0.00 C ATOM 1236 CD PRO A 84 5.450 -17.614 -11.175 1.00 0.00 C ATOM 0 HA PRO A 84 2.904 -16.823 -13.049 1.00 0.00 H new ATOM 0 HB2 PRO A 84 2.641 -19.280 -11.780 1.00 0.00 H new ATOM 0 HB3 PRO A 84 3.819 -19.053 -13.058 1.00 0.00 H new ATOM 0 HG2 PRO A 84 4.228 -18.999 -10.075 1.00 0.00 H new ATOM 0 HG3 PRO A 84 5.223 -19.748 -11.308 1.00 0.00 H new ATOM 0 HD2 PRO A 84 5.880 -17.344 -10.211 1.00 0.00 H new ATOM 0 HD3 PRO A 84 6.279 -17.731 -11.872 1.00 0.00 H new ATOM 1244 N GLU A 85 2.306 -17.081 -9.835 1.00 0.00 N ATOM 1245 CA GLU A 85 1.288 -16.814 -8.826 1.00 0.00 C ATOM 1246 C GLU A 85 1.777 -15.774 -7.822 1.00 0.00 C ATOM 1247 O GLU A 85 2.973 -15.665 -7.557 1.00 0.00 O ATOM 1248 CB GLU A 85 0.911 -18.105 -8.096 1.00 0.00 C ATOM 1249 CG GLU A 85 2.107 -18.878 -7.569 1.00 0.00 C ATOM 1250 CD GLU A 85 1.709 -20.001 -6.631 1.00 0.00 C ATOM 1251 OE1 GLU A 85 0.809 -19.785 -5.794 1.00 0.00 O ATOM 1252 OE2 GLU A 85 2.299 -21.097 -6.735 1.00 0.00 O ATOM 0 H GLU A 85 3.191 -17.424 -9.461 1.00 0.00 H new ATOM 0 HA GLU A 85 0.406 -16.420 -9.332 1.00 0.00 H new ATOM 0 HB2 GLU A 85 0.251 -17.862 -7.263 1.00 0.00 H new ATOM 0 HB3 GLU A 85 0.346 -18.744 -8.775 1.00 0.00 H new ATOM 0 HG2 GLU A 85 2.666 -19.292 -8.408 1.00 0.00 H new ATOM 0 HG3 GLU A 85 2.776 -18.194 -7.047 1.00 0.00 H new ATOM 1259 N GLY A 86 0.841 -15.009 -7.267 1.00 0.00 N ATOM 1260 CA GLY A 86 1.195 -13.987 -6.300 1.00 0.00 C ATOM 1261 C GLY A 86 0.872 -14.399 -4.877 1.00 0.00 C ATOM 1262 O GLY A 86 0.231 -15.425 -4.650 1.00 0.00 O ATOM 0 H GLY A 86 -0.156 -15.079 -7.470 1.00 0.00 H new ATOM 0 HA2 GLY A 86 2.260 -13.769 -6.379 1.00 0.00 H new ATOM 0 HA3 GLY A 86 0.663 -13.066 -6.538 1.00 0.00 H new ATOM 1266 N SER A 87 1.319 -13.598 -3.915 1.00 0.00 N ATOM 1267 CA SER A 87 1.078 -13.887 -2.506 1.00 0.00 C ATOM 1268 C SER A 87 -0.309 -13.413 -2.083 1.00 0.00 C ATOM 1269 O SER A 87 -1.018 -12.770 -2.855 1.00 0.00 O ATOM 1270 CB SER A 87 2.145 -13.218 -1.637 1.00 0.00 C ATOM 1271 OG SER A 87 1.625 -12.874 -0.365 1.00 0.00 O ATOM 0 H SER A 87 1.850 -12.744 -4.086 1.00 0.00 H new ATOM 0 HA SER A 87 1.131 -14.967 -2.368 1.00 0.00 H new ATOM 0 HB2 SER A 87 2.994 -13.891 -1.516 1.00 0.00 H new ATOM 0 HB3 SER A 87 2.516 -12.323 -2.136 1.00 0.00 H new ATOM 0 HG SER A 87 1.254 -11.967 -0.397 1.00 0.00 H new ATOM 1277 N GLU A 88 -0.687 -13.737 -0.850 1.00 0.00 N ATOM 1278 CA GLU A 88 -1.990 -13.345 -0.324 1.00 0.00 C ATOM 1279 C GLU A 88 -2.126 -11.826 -0.286 1.00 0.00 C ATOM 1280 O GLU A 88 -1.150 -11.099 -0.471 1.00 0.00 O ATOM 1281 CB GLU A 88 -2.193 -13.922 1.078 1.00 0.00 C ATOM 1282 CG GLU A 88 -2.742 -15.339 1.080 1.00 0.00 C ATOM 1283 CD GLU A 88 -4.256 -15.377 0.999 1.00 0.00 C ATOM 1284 OE1 GLU A 88 -4.904 -14.471 1.562 1.00 0.00 O ATOM 1285 OE2 GLU A 88 -4.792 -16.315 0.372 1.00 0.00 O ATOM 0 H GLU A 88 -0.111 -14.269 -0.198 1.00 0.00 H new ATOM 0 HA GLU A 88 -2.757 -13.745 -0.988 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -1.241 -13.910 1.608 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -2.875 -13.277 1.632 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -2.323 -15.889 0.237 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -2.417 -15.849 1.987 1.00 0.00 H new ATOM 1292 N ALA A 89 -3.345 -11.353 -0.045 1.00 0.00 N ATOM 1293 CA ALA A 89 -3.610 -9.921 0.020 1.00 0.00 C ATOM 1294 C ALA A 89 -3.370 -9.381 1.426 1.00 0.00 C ATOM 1295 O ALA A 89 -4.039 -9.784 2.378 1.00 0.00 O ATOM 1296 CB ALA A 89 -5.035 -9.627 -0.425 1.00 0.00 C ATOM 0 H ALA A 89 -4.164 -11.941 0.108 1.00 0.00 H new ATOM 0 HA ALA A 89 -2.919 -9.418 -0.656 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -5.219 -8.554 -0.371 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -5.173 -9.968 -1.451 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -5.735 -10.148 0.228 1.00 0.00 H new ATOM 1302 N ARG A 90 -2.412 -8.469 1.549 1.00 0.00 N ATOM 1303 CA ARG A 90 -2.083 -7.875 2.839 1.00 0.00 C ATOM 1304 C ARG A 90 -2.029 -6.353 2.740 1.00 0.00 C ATOM 1305 O ARG A 90 -1.016 -5.783 2.338 1.00 0.00 O ATOM 1306 CB ARG A 90 -0.743 -8.412 3.345 1.00 0.00 C ATOM 1307 CG ARG A 90 -0.795 -9.868 3.779 1.00 0.00 C ATOM 1308 CD ARG A 90 -1.621 -10.043 5.044 1.00 0.00 C ATOM 1309 NE ARG A 90 -1.017 -9.368 6.190 1.00 0.00 N ATOM 1310 CZ ARG A 90 -1.618 -9.238 7.367 1.00 0.00 C ATOM 1311 NH1 ARG A 90 -2.834 -9.735 7.552 1.00 0.00 N ATOM 1312 NH2 ARG A 90 -1.004 -8.611 8.362 1.00 0.00 N ATOM 0 H ARG A 90 -1.850 -8.125 0.771 1.00 0.00 H new ATOM 0 HA ARG A 90 -2.866 -8.148 3.546 1.00 0.00 H new ATOM 0 HB2 ARG A 90 0.003 -8.303 2.558 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -0.411 -7.803 4.186 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -1.221 -10.472 2.978 1.00 0.00 H new ATOM 0 HG3 ARG A 90 0.217 -10.234 3.951 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -2.624 -9.650 4.879 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -1.727 -11.105 5.264 1.00 0.00 H new ATOM 0 HE ARG A 90 -0.082 -8.975 6.080 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -3.309 -10.218 6.789 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -3.294 -9.634 8.457 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -0.069 -8.228 8.224 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -1.467 -8.512 9.265 1.00 0.00 H new ATOM 1326 N GLY A 91 -3.128 -5.702 3.109 1.00 0.00 N ATOM 1327 CA GLY A 91 -3.185 -4.253 3.054 1.00 0.00 C ATOM 1328 C GLY A 91 -3.314 -3.625 4.427 1.00 0.00 C ATOM 1329 O GLY A 91 -3.705 -4.290 5.387 1.00 0.00 O ATOM 0 H GLY A 91 -3.979 -6.152 3.445 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -2.285 -3.875 2.568 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -4.031 -3.949 2.438 1.00 0.00 H new ATOM 1333 N ILE A 92 -2.982 -2.342 4.523 1.00 0.00 N ATOM 1334 CA ILE A 92 -3.062 -1.625 5.789 1.00 0.00 C ATOM 1335 C ILE A 92 -4.022 -0.444 5.693 1.00 0.00 C ATOM 1336 O ILE A 92 -3.944 0.358 4.762 1.00 0.00 O ATOM 1337 CB ILE A 92 -1.679 -1.113 6.234 1.00 0.00 C ATOM 1338 CG1 ILE A 92 -1.818 -0.199 7.454 1.00 0.00 C ATOM 1339 CG2 ILE A 92 -0.993 -0.379 5.092 1.00 0.00 C ATOM 1340 CD1 ILE A 92 -0.503 0.376 7.930 1.00 0.00 C ATOM 0 H ILE A 92 -2.655 -1.778 3.739 1.00 0.00 H new ATOM 0 HA ILE A 92 -3.434 -2.333 6.529 1.00 0.00 H new ATOM 0 HB ILE A 92 -1.063 -1.969 6.512 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -2.496 0.619 7.210 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -2.276 -0.760 8.268 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -0.017 -0.023 5.422 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -0.866 -1.057 4.248 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -1.604 0.470 4.786 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -0.677 1.013 8.797 1.00 0.00 H new ATOM 0 HD12 ILE A 92 0.170 -0.436 8.206 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -0.053 0.965 7.131 1.00 0.00 H new ATOM 1352 N ARG A 93 -4.925 -0.342 6.662 1.00 0.00 N ATOM 1353 CA ARG A 93 -5.900 0.742 6.687 1.00 0.00 C ATOM 1354 C ARG A 93 -5.210 2.097 6.566 1.00 0.00 C ATOM 1355 O ARG A 93 -4.508 2.531 7.479 1.00 0.00 O ATOM 1356 CB ARG A 93 -6.721 0.688 7.977 1.00 0.00 C ATOM 1357 CG ARG A 93 -7.604 1.907 8.187 1.00 0.00 C ATOM 1358 CD ARG A 93 -8.918 1.780 7.433 1.00 0.00 C ATOM 1359 NE ARG A 93 -9.979 2.576 8.044 1.00 0.00 N ATOM 1360 CZ ARG A 93 -10.094 3.890 7.888 1.00 0.00 C ATOM 1361 NH1 ARG A 93 -9.219 4.553 7.145 1.00 0.00 N ATOM 1362 NH2 ARG A 93 -11.088 4.545 8.476 1.00 0.00 N ATOM 0 H ARG A 93 -5.002 -0.997 7.440 1.00 0.00 H new ATOM 0 HA ARG A 93 -6.567 0.617 5.834 1.00 0.00 H new ATOM 0 HB2 ARG A 93 -7.346 -0.205 7.963 1.00 0.00 H new ATOM 0 HB3 ARG A 93 -6.044 0.590 8.825 1.00 0.00 H new ATOM 0 HG2 ARG A 93 -7.805 2.033 9.251 1.00 0.00 H new ATOM 0 HG3 ARG A 93 -7.077 2.801 7.854 1.00 0.00 H new ATOM 0 HD2 ARG A 93 -8.775 2.098 6.400 1.00 0.00 H new ATOM 0 HD3 ARG A 93 -9.220 0.733 7.405 1.00 0.00 H new ATOM 0 HE ARG A 93 -10.669 2.097 8.622 1.00 0.00 H new ATOM 0 HH11 ARG A 93 -8.454 4.054 6.691 1.00 0.00 H new ATOM 0 HH12 ARG A 93 -9.311 5.562 7.028 1.00 0.00 H new ATOM 0 HH21 ARG A 93 -11.764 4.039 9.048 1.00 0.00 H new ATOM 0 HH22 ARG A 93 -11.175 5.554 8.356 1.00 0.00 H new ATOM 1376 N ALA A 94 -5.414 2.760 5.432 1.00 0.00 N ATOM 1377 CA ALA A 94 -4.813 4.066 5.192 1.00 0.00 C ATOM 1378 C ALA A 94 -5.604 5.170 5.885 1.00 0.00 C ATOM 1379 O ALA A 94 -6.731 4.953 6.330 1.00 0.00 O ATOM 1380 CB ALA A 94 -4.720 4.338 3.698 1.00 0.00 C ATOM 0 H ALA A 94 -5.991 2.414 4.665 1.00 0.00 H new ATOM 0 HA ALA A 94 -3.807 4.058 5.612 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -4.269 5.317 3.534 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -4.105 3.572 3.226 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -5.719 4.321 3.262 1.00 0.00 H new ATOM 1386 N ARG A 95 -5.007 6.354 5.973 1.00 0.00 N ATOM 1387 CA ARG A 95 -5.656 7.492 6.613 1.00 0.00 C ATOM 1388 C ARG A 95 -4.809 8.753 6.470 1.00 0.00 C ATOM 1389 O ARG A 95 -3.579 8.696 6.515 1.00 0.00 O ATOM 1390 CB ARG A 95 -5.906 7.197 8.093 1.00 0.00 C ATOM 1391 CG ARG A 95 -5.914 8.439 8.969 1.00 0.00 C ATOM 1392 CD ARG A 95 -4.514 8.796 9.444 1.00 0.00 C ATOM 1393 NE ARG A 95 -3.787 7.626 9.929 1.00 0.00 N ATOM 1394 CZ ARG A 95 -4.075 7.000 11.065 1.00 0.00 C ATOM 1395 NH1 ARG A 95 -5.071 7.430 11.828 1.00 0.00 N ATOM 1396 NH2 ARG A 95 -3.367 5.942 11.439 1.00 0.00 N ATOM 0 H ARG A 95 -4.075 6.550 5.609 1.00 0.00 H new ATOM 0 HA ARG A 95 -6.612 7.660 6.116 1.00 0.00 H new ATOM 0 HB2 ARG A 95 -6.862 6.684 8.196 1.00 0.00 H new ATOM 0 HB3 ARG A 95 -5.137 6.514 8.453 1.00 0.00 H new ATOM 0 HG2 ARG A 95 -6.334 9.276 8.411 1.00 0.00 H new ATOM 0 HG3 ARG A 95 -6.560 8.273 9.831 1.00 0.00 H new ATOM 0 HD2 ARG A 95 -3.959 9.254 8.625 1.00 0.00 H new ATOM 0 HD3 ARG A 95 -4.579 9.538 10.240 1.00 0.00 H new ATOM 0 HE ARG A 95 -3.016 7.270 9.365 1.00 0.00 H new ATOM 0 HH11 ARG A 95 -5.618 8.243 11.543 1.00 0.00 H new ATOM 0 HH12 ARG A 95 -5.290 6.948 12.700 1.00 0.00 H new ATOM 0 HH21 ARG A 95 -2.601 5.608 10.854 1.00 0.00 H new ATOM 0 HH22 ARG A 95 -3.589 5.462 12.311 1.00 0.00 H new ATOM 1410 N THR A 96 -5.474 9.891 6.298 1.00 0.00 N ATOM 1411 CA THR A 96 -4.783 11.165 6.147 1.00 0.00 C ATOM 1412 C THR A 96 -5.526 12.282 6.870 1.00 0.00 C ATOM 1413 O THR A 96 -6.755 12.349 6.863 1.00 0.00 O ATOM 1414 CB THR A 96 -4.624 11.545 4.663 1.00 0.00 C ATOM 1415 OG1 THR A 96 -5.887 11.452 3.995 1.00 0.00 O ATOM 1416 CG2 THR A 96 -3.613 10.639 3.977 1.00 0.00 C ATOM 0 H THR A 96 -6.491 9.956 6.260 1.00 0.00 H new ATOM 0 HA THR A 96 -3.795 11.044 6.591 1.00 0.00 H new ATOM 0 HB THR A 96 -4.261 12.572 4.611 1.00 0.00 H new ATOM 0 HG1 THR A 96 -5.777 11.697 3.052 1.00 0.00 H new ATOM 0 HG21 THR A 96 -3.518 10.927 2.930 1.00 0.00 H new ATOM 0 HG22 THR A 96 -2.645 10.735 4.469 1.00 0.00 H new ATOM 0 HG23 THR A 96 -3.950 9.604 4.040 1.00 0.00 H new ATOM 1424 N PRO A 97 -4.765 13.183 7.509 1.00 0.00 N ATOM 1425 CA PRO A 97 -5.331 14.316 8.247 1.00 0.00 C ATOM 1426 C PRO A 97 -5.958 15.355 7.324 1.00 0.00 C ATOM 1427 O PRO A 97 -6.099 15.129 6.122 1.00 0.00 O ATOM 1428 CB PRO A 97 -4.120 14.907 8.973 1.00 0.00 C ATOM 1429 CG PRO A 97 -2.949 14.508 8.143 1.00 0.00 C ATOM 1430 CD PRO A 97 -3.293 13.166 7.559 1.00 0.00 C ATOM 0 HA PRO A 97 -6.136 14.006 8.914 1.00 0.00 H new ATOM 0 HB2 PRO A 97 -4.197 15.991 9.054 1.00 0.00 H new ATOM 0 HB3 PRO A 97 -4.037 14.517 9.988 1.00 0.00 H new ATOM 0 HG2 PRO A 97 -2.761 15.239 7.357 1.00 0.00 H new ATOM 0 HG3 PRO A 97 -2.044 14.450 8.748 1.00 0.00 H new ATOM 0 HD2 PRO A 97 -2.859 13.036 6.568 1.00 0.00 H new ATOM 0 HD3 PRO A 97 -2.921 12.351 8.179 1.00 0.00 H new ATOM 1438 N THR A 98 -6.332 16.497 7.893 1.00 0.00 N ATOM 1439 CA THR A 98 -6.944 17.571 7.121 1.00 0.00 C ATOM 1440 C THR A 98 -6.165 18.872 7.275 1.00 0.00 C ATOM 1441 O THR A 98 -6.022 19.394 8.381 1.00 0.00 O ATOM 1442 CB THR A 98 -8.405 17.807 7.548 1.00 0.00 C ATOM 1443 OG1 THR A 98 -8.474 18.018 8.962 1.00 0.00 O ATOM 1444 CG2 THR A 98 -9.279 16.623 7.163 1.00 0.00 C ATOM 0 H THR A 98 -6.222 16.702 8.886 1.00 0.00 H new ATOM 0 HA THR A 98 -6.924 17.261 6.076 1.00 0.00 H new ATOM 0 HB THR A 98 -8.773 18.693 7.031 1.00 0.00 H new ATOM 0 HG1 THR A 98 -7.638 18.424 9.273 1.00 0.00 H new ATOM 0 HG21 THR A 98 -10.306 16.812 7.475 1.00 0.00 H new ATOM 0 HG22 THR A 98 -9.247 16.484 6.082 1.00 0.00 H new ATOM 0 HG23 THR A 98 -8.910 15.723 7.656 1.00 0.00 H new ATOM 1452 N SER A 99 -5.664 19.392 6.159 1.00 0.00 N ATOM 1453 CA SER A 99 -4.896 20.632 6.171 1.00 0.00 C ATOM 1454 C SER A 99 -5.745 21.801 5.682 1.00 0.00 C ATOM 1455 O SER A 99 -5.247 22.709 5.017 1.00 0.00 O ATOM 1456 CB SER A 99 -3.648 20.492 5.297 1.00 0.00 C ATOM 1457 OG SER A 99 -2.843 21.656 5.367 1.00 0.00 O ATOM 0 H SER A 99 -5.776 18.974 5.235 1.00 0.00 H new ATOM 0 HA SER A 99 -4.591 20.832 7.198 1.00 0.00 H new ATOM 0 HB2 SER A 99 -3.070 19.626 5.620 1.00 0.00 H new ATOM 0 HB3 SER A 99 -3.943 20.311 4.263 1.00 0.00 H new ATOM 0 HG SER A 99 -3.394 22.446 5.187 1.00 0.00 H new