USER MOD reduce.3.24.130724 H: found=0, std=0, add=784, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 780 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 Single : A 1 MET CE :methyl 165:sc= -2.04 (180deg=-2.84) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 17 CYS SG : rot 82:sc= -4.1! USER MOD Single : A 20 HIS : no HD1:sc= -7.14! C(o=-7.1!,f=-10!) USER MOD Single : A 30 SER OG : rot -51:sc= 0.561 USER MOD Single : A 40 SER OG : rot -150:sc= 0.941 USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 HIS : no HE2:sc= -8.35! C(o=-8.3!,f=-9.8!) USER MOD Single : A 61 LYS NZ :NH3+ -121:sc= 0.852 (180deg=-1.39) USER MOD Single : A 76 SER OG : rot 25:sc= 0.22 USER MOD Single : A 87 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 36 N MET A 1 12.776 5.226 -8.160 1.00 0.00 N ATOM 37 CA MET A 1 11.627 4.341 -8.253 1.00 0.00 C ATOM 38 C MET A 1 11.076 4.305 -9.680 1.00 0.00 C ATOM 39 O MET A 1 10.524 5.294 -10.161 1.00 0.00 O ATOM 40 CB MET A 1 10.534 4.820 -7.295 1.00 0.00 C ATOM 41 CG MET A 1 10.616 4.083 -5.957 1.00 0.00 C ATOM 42 SD MET A 1 8.990 3.547 -5.454 1.00 0.00 S ATOM 43 CE MET A 1 9.342 1.850 -5.026 1.00 0.00 C ATOM 0 H1 MET A 1 13.131 5.233 -7.182 1.00 0.00 H new ATOM 0 H2 MET A 1 13.525 4.890 -8.798 1.00 0.00 H new ATOM 0 H3 MET A 1 12.495 6.189 -8.433 1.00 0.00 H new ATOM 0 HA MET A 1 11.945 3.334 -7.981 1.00 0.00 H new ATOM 0 HB2 MET A 1 10.635 5.893 -7.130 1.00 0.00 H new ATOM 0 HB3 MET A 1 9.554 4.657 -7.745 1.00 0.00 H new ATOM 0 HG2 MET A 1 11.280 3.223 -6.046 1.00 0.00 H new ATOM 0 HG3 MET A 1 11.043 4.738 -5.197 1.00 0.00 H new ATOM 0 HE1 MET A 1 8.514 1.442 -4.447 1.00 0.00 H new ATOM 0 HE2 MET A 1 9.472 1.265 -5.936 1.00 0.00 H new ATOM 0 HE3 MET A 1 10.256 1.806 -4.433 1.00 0.00 H new ATOM 53 N ASP A 2 11.244 3.155 -10.316 1.00 0.00 N ATOM 54 CA ASP A 2 10.770 2.978 -11.678 1.00 0.00 C ATOM 55 C ASP A 2 9.486 2.147 -11.663 1.00 0.00 C ATOM 56 O ASP A 2 9.328 1.256 -10.830 1.00 0.00 O ATOM 57 CB ASP A 2 11.803 2.235 -12.528 1.00 0.00 C ATOM 58 CG ASP A 2 13.242 2.734 -12.380 1.00 0.00 C ATOM 59 OD1 ASP A 2 13.399 3.951 -12.144 1.00 0.00 O ATOM 60 OD2 ASP A 2 14.152 1.887 -12.506 1.00 0.00 O ATOM 0 H ASP A 2 11.702 2.337 -9.914 1.00 0.00 H new ATOM 0 HA ASP A 2 10.594 3.966 -12.105 1.00 0.00 H new ATOM 0 HB2 ASP A 2 11.773 1.177 -12.267 1.00 0.00 H new ATOM 0 HB3 ASP A 2 11.513 2.313 -13.576 1.00 0.00 H new ATOM 65 N LEU A 3 8.599 2.469 -12.594 1.00 0.00 N ATOM 66 CA LEU A 3 7.333 1.764 -12.697 1.00 0.00 C ATOM 67 C LEU A 3 7.599 0.261 -12.807 1.00 0.00 C ATOM 68 O LEU A 3 6.953 -0.538 -12.131 1.00 0.00 O ATOM 69 CB LEU A 3 6.499 2.327 -13.850 1.00 0.00 C ATOM 70 CG LEU A 3 5.549 3.472 -13.493 1.00 0.00 C ATOM 71 CD1 LEU A 3 4.290 2.944 -12.802 1.00 0.00 C ATOM 72 CD2 LEU A 3 6.261 4.534 -12.653 1.00 0.00 C ATOM 0 H LEU A 3 8.733 3.209 -13.283 1.00 0.00 H new ATOM 0 HA LEU A 3 6.737 1.918 -11.798 1.00 0.00 H new ATOM 0 HB2 LEU A 3 7.179 2.674 -14.628 1.00 0.00 H new ATOM 0 HB3 LEU A 3 5.912 1.514 -14.279 1.00 0.00 H new ATOM 0 HG LEU A 3 5.231 3.953 -14.418 1.00 0.00 H new ATOM 0 HD11 LEU A 3 3.632 3.778 -12.559 1.00 0.00 H new ATOM 0 HD12 LEU A 3 3.771 2.254 -13.468 1.00 0.00 H new ATOM 0 HD13 LEU A 3 4.569 2.423 -11.886 1.00 0.00 H new ATOM 0 HD21 LEU A 3 5.563 5.336 -12.413 1.00 0.00 H new ATOM 0 HD22 LEU A 3 6.627 4.083 -11.730 1.00 0.00 H new ATOM 0 HD23 LEU A 3 7.101 4.940 -13.216 1.00 0.00 H new ATOM 84 N GLU A 4 8.551 -0.078 -13.665 1.00 0.00 N ATOM 85 CA GLU A 4 8.910 -1.470 -13.872 1.00 0.00 C ATOM 86 C GLU A 4 9.307 -2.119 -12.545 1.00 0.00 C ATOM 87 O GLU A 4 8.933 -3.259 -12.270 1.00 0.00 O ATOM 88 CB GLU A 4 10.032 -1.600 -14.903 1.00 0.00 C ATOM 89 CG GLU A 4 11.284 -0.847 -14.447 1.00 0.00 C ATOM 90 CD GLU A 4 12.147 -0.442 -15.645 1.00 0.00 C ATOM 91 OE1 GLU A 4 11.847 0.623 -16.226 1.00 0.00 O ATOM 92 OE2 GLU A 4 13.086 -1.208 -15.952 1.00 0.00 O ATOM 0 H GLU A 4 9.084 0.588 -14.224 1.00 0.00 H new ATOM 0 HA GLU A 4 8.039 -1.995 -14.264 1.00 0.00 H new ATOM 0 HB2 GLU A 4 10.271 -2.653 -15.055 1.00 0.00 H new ATOM 0 HB3 GLU A 4 9.696 -1.208 -15.863 1.00 0.00 H new ATOM 0 HG2 GLU A 4 10.994 0.041 -13.886 1.00 0.00 H new ATOM 0 HG3 GLU A 4 11.865 -1.475 -13.772 1.00 0.00 H new ATOM 99 N THR A 5 10.059 -1.366 -11.756 1.00 0.00 N ATOM 100 CA THR A 5 10.510 -1.854 -10.464 1.00 0.00 C ATOM 101 C THR A 5 9.351 -1.873 -9.466 1.00 0.00 C ATOM 102 O THR A 5 9.307 -2.721 -8.576 1.00 0.00 O ATOM 103 CB THR A 5 11.685 -0.983 -10.014 1.00 0.00 C ATOM 104 OG1 THR A 5 12.818 -1.576 -10.642 1.00 0.00 O ATOM 105 CG2 THR A 5 11.975 -1.118 -8.518 1.00 0.00 C ATOM 0 H THR A 5 10.367 -0.421 -11.987 1.00 0.00 H new ATOM 0 HA THR A 5 10.857 -2.885 -10.530 1.00 0.00 H new ATOM 0 HB THR A 5 11.474 0.060 -10.250 1.00 0.00 H new ATOM 0 HG1 THR A 5 13.624 -1.072 -10.405 1.00 0.00 H new ATOM 0 HG21 THR A 5 12.817 -0.479 -8.252 1.00 0.00 H new ATOM 0 HG22 THR A 5 11.096 -0.816 -7.948 1.00 0.00 H new ATOM 0 HG23 THR A 5 12.218 -2.155 -8.287 1.00 0.00 H new ATOM 113 N LEU A 6 8.440 -0.928 -9.647 1.00 0.00 N ATOM 114 CA LEU A 6 7.283 -0.825 -8.774 1.00 0.00 C ATOM 115 C LEU A 6 6.535 -2.160 -8.768 1.00 0.00 C ATOM 116 O LEU A 6 5.994 -2.567 -7.741 1.00 0.00 O ATOM 117 CB LEU A 6 6.413 0.367 -9.176 1.00 0.00 C ATOM 118 CG LEU A 6 6.669 1.670 -8.417 1.00 0.00 C ATOM 119 CD1 LEU A 6 6.734 1.423 -6.909 1.00 0.00 C ATOM 120 CD2 LEU A 6 7.925 2.370 -8.938 1.00 0.00 C ATOM 0 H LEU A 6 8.480 -0.226 -10.386 1.00 0.00 H new ATOM 0 HA LEU A 6 7.595 -0.629 -7.748 1.00 0.00 H new ATOM 0 HB2 LEU A 6 6.558 0.555 -10.240 1.00 0.00 H new ATOM 0 HB3 LEU A 6 5.367 0.090 -9.041 1.00 0.00 H new ATOM 0 HG LEU A 6 5.829 2.341 -8.597 1.00 0.00 H new ATOM 0 HD11 LEU A 6 6.917 2.366 -6.393 1.00 0.00 H new ATOM 0 HD12 LEU A 6 5.789 1.001 -6.568 1.00 0.00 H new ATOM 0 HD13 LEU A 6 7.543 0.726 -6.689 1.00 0.00 H new ATOM 0 HD21 LEU A 6 8.084 3.294 -8.381 1.00 0.00 H new ATOM 0 HD22 LEU A 6 8.787 1.715 -8.808 1.00 0.00 H new ATOM 0 HD23 LEU A 6 7.801 2.601 -9.996 1.00 0.00 H new ATOM 132 N ARG A 7 6.528 -2.803 -9.926 1.00 0.00 N ATOM 133 CA ARG A 7 5.854 -4.083 -10.067 1.00 0.00 C ATOM 134 C ARG A 7 6.666 -5.188 -9.388 1.00 0.00 C ATOM 135 O ARG A 7 6.108 -6.035 -8.693 1.00 0.00 O ATOM 136 CB ARG A 7 5.653 -4.440 -11.541 1.00 0.00 C ATOM 137 CG ARG A 7 5.603 -3.180 -12.408 1.00 0.00 C ATOM 138 CD ARG A 7 4.542 -3.310 -13.503 1.00 0.00 C ATOM 139 NE ARG A 7 5.193 -3.454 -14.824 1.00 0.00 N ATOM 140 CZ ARG A 7 5.777 -4.581 -15.255 1.00 0.00 C ATOM 141 NH1 ARG A 7 5.795 -5.668 -14.472 1.00 0.00 N ATOM 142 NH2 ARG A 7 6.343 -4.620 -16.469 1.00 0.00 N ATOM 0 H ARG A 7 6.978 -2.462 -10.775 1.00 0.00 H new ATOM 0 HA ARG A 7 4.878 -3.998 -9.589 1.00 0.00 H new ATOM 0 HB2 ARG A 7 6.465 -5.085 -11.877 1.00 0.00 H new ATOM 0 HB3 ARG A 7 4.728 -5.004 -11.659 1.00 0.00 H new ATOM 0 HG2 ARG A 7 5.383 -2.314 -11.784 1.00 0.00 H new ATOM 0 HG3 ARG A 7 6.579 -3.007 -12.861 1.00 0.00 H new ATOM 0 HD2 ARG A 7 3.907 -4.174 -13.305 1.00 0.00 H new ATOM 0 HD3 ARG A 7 3.896 -2.432 -13.501 1.00 0.00 H new ATOM 0 HE ARG A 7 5.198 -2.645 -15.445 1.00 0.00 H new ATOM 0 HH11 ARG A 7 5.364 -5.638 -13.548 1.00 0.00 H new ATOM 0 HH12 ARG A 7 6.239 -6.526 -14.800 1.00 0.00 H new ATOM 0 HH21 ARG A 7 6.329 -3.792 -17.065 1.00 0.00 H new ATOM 0 HH22 ARG A 7 6.787 -5.477 -16.797 1.00 0.00 H new ATOM 156 N ALA A 8 7.971 -5.142 -9.613 1.00 0.00 N ATOM 157 CA ALA A 8 8.866 -6.129 -9.032 1.00 0.00 C ATOM 158 C ALA A 8 8.734 -6.095 -7.508 1.00 0.00 C ATOM 159 O ALA A 8 8.514 -7.127 -6.877 1.00 0.00 O ATOM 160 CB ALA A 8 10.297 -5.859 -9.500 1.00 0.00 C ATOM 0 H ALA A 8 8.430 -4.437 -10.190 1.00 0.00 H new ATOM 0 HA ALA A 8 8.599 -7.132 -9.364 1.00 0.00 H new ATOM 0 HB1 ALA A 8 10.968 -6.599 -9.064 1.00 0.00 H new ATOM 0 HB2 ALA A 8 10.343 -5.923 -10.587 1.00 0.00 H new ATOM 0 HB3 ALA A 8 10.602 -4.862 -9.183 1.00 0.00 H new ATOM 166 N ARG A 9 8.875 -4.896 -6.961 1.00 0.00 N ATOM 167 CA ARG A 9 8.775 -4.714 -5.523 1.00 0.00 C ATOM 168 C ARG A 9 7.348 -4.998 -5.049 1.00 0.00 C ATOM 169 O ARG A 9 7.146 -5.521 -3.955 1.00 0.00 O ATOM 170 CB ARG A 9 9.164 -3.290 -5.120 1.00 0.00 C ATOM 171 CG ARG A 9 8.490 -2.259 -6.028 1.00 0.00 C ATOM 172 CD ARG A 9 7.611 -1.306 -5.216 1.00 0.00 C ATOM 173 NE ARG A 9 6.773 -2.073 -4.268 1.00 0.00 N ATOM 174 CZ ARG A 9 5.651 -1.603 -3.707 1.00 0.00 C ATOM 175 NH1 ARG A 9 5.225 -0.365 -3.995 1.00 0.00 N ATOM 176 NH2 ARG A 9 4.954 -2.370 -2.858 1.00 0.00 N ATOM 0 H ARG A 9 9.058 -4.042 -7.488 1.00 0.00 H new ATOM 0 HA ARG A 9 9.464 -5.415 -5.052 1.00 0.00 H new ATOM 0 HB2 ARG A 9 8.877 -3.110 -4.084 1.00 0.00 H new ATOM 0 HB3 ARG A 9 10.247 -3.176 -5.175 1.00 0.00 H new ATOM 0 HG2 ARG A 9 9.249 -1.691 -6.565 1.00 0.00 H new ATOM 0 HG3 ARG A 9 7.884 -2.769 -6.777 1.00 0.00 H new ATOM 0 HD2 ARG A 9 8.235 -0.598 -4.671 1.00 0.00 H new ATOM 0 HD3 ARG A 9 6.977 -0.724 -5.885 1.00 0.00 H new ATOM 0 HE ARG A 9 7.068 -3.019 -4.026 1.00 0.00 H new ATOM 0 HH11 ARG A 9 5.755 0.219 -4.641 1.00 0.00 H new ATOM 0 HH12 ARG A 9 4.371 -0.007 -3.568 1.00 0.00 H new ATOM 0 HH21 ARG A 9 5.278 -3.312 -2.639 1.00 0.00 H new ATOM 0 HH22 ARG A 9 4.100 -2.012 -2.431 1.00 0.00 H new ATOM 190 N ARG A 10 6.395 -4.641 -5.898 1.00 0.00 N ATOM 191 CA ARG A 10 4.993 -4.851 -5.580 1.00 0.00 C ATOM 192 C ARG A 10 4.682 -6.348 -5.515 1.00 0.00 C ATOM 193 O ARG A 10 3.821 -6.774 -4.748 1.00 0.00 O ATOM 194 CB ARG A 10 4.087 -4.194 -6.623 1.00 0.00 C ATOM 195 CG ARG A 10 3.604 -2.823 -6.144 1.00 0.00 C ATOM 196 CD ARG A 10 3.289 -1.908 -7.329 1.00 0.00 C ATOM 197 NE ARG A 10 3.557 -0.499 -6.966 1.00 0.00 N ATOM 198 CZ ARG A 10 2.818 0.208 -6.100 1.00 0.00 C ATOM 199 NH1 ARG A 10 1.760 -0.360 -5.503 1.00 0.00 N ATOM 200 NH2 ARG A 10 3.136 1.481 -5.830 1.00 0.00 N ATOM 0 H ARG A 10 6.566 -4.208 -6.805 1.00 0.00 H new ATOM 0 HA ARG A 10 4.801 -4.394 -4.609 1.00 0.00 H new ATOM 0 HB2 ARG A 10 4.628 -4.085 -7.563 1.00 0.00 H new ATOM 0 HB3 ARG A 10 3.229 -4.837 -6.822 1.00 0.00 H new ATOM 0 HG2 ARG A 10 2.714 -2.943 -5.526 1.00 0.00 H new ATOM 0 HG3 ARG A 10 4.368 -2.363 -5.518 1.00 0.00 H new ATOM 0 HD2 ARG A 10 3.895 -2.192 -8.189 1.00 0.00 H new ATOM 0 HD3 ARG A 10 2.246 -2.025 -7.622 1.00 0.00 H new ATOM 0 HE ARG A 10 4.355 -0.037 -7.402 1.00 0.00 H new ATOM 0 HH11 ARG A 10 1.518 -1.329 -5.708 1.00 0.00 H new ATOM 0 HH12 ARG A 10 1.197 0.177 -4.844 1.00 0.00 H new ATOM 0 HH21 ARG A 10 3.941 1.913 -6.284 1.00 0.00 H new ATOM 0 HH22 ARG A 10 2.573 2.018 -5.171 1.00 0.00 H new ATOM 214 N GLU A 11 5.401 -7.105 -6.332 1.00 0.00 N ATOM 215 CA GLU A 11 5.212 -8.545 -6.377 1.00 0.00 C ATOM 216 C GLU A 11 5.735 -9.189 -5.092 1.00 0.00 C ATOM 217 O GLU A 11 5.059 -10.025 -4.493 1.00 0.00 O ATOM 218 CB GLU A 11 5.891 -9.148 -7.608 1.00 0.00 C ATOM 219 CG GLU A 11 4.860 -9.520 -8.676 1.00 0.00 C ATOM 220 CD GLU A 11 4.802 -11.035 -8.878 1.00 0.00 C ATOM 221 OE1 GLU A 11 4.191 -11.700 -8.014 1.00 0.00 O ATOM 222 OE2 GLU A 11 5.370 -11.495 -9.892 1.00 0.00 O ATOM 0 H GLU A 11 6.115 -6.748 -6.967 1.00 0.00 H new ATOM 0 HA GLU A 11 4.144 -8.750 -6.454 1.00 0.00 H new ATOM 0 HB2 GLU A 11 6.605 -8.435 -8.020 1.00 0.00 H new ATOM 0 HB3 GLU A 11 6.456 -10.034 -7.319 1.00 0.00 H new ATOM 0 HG2 GLU A 11 3.877 -9.151 -8.382 1.00 0.00 H new ATOM 0 HG3 GLU A 11 5.115 -9.034 -9.618 1.00 0.00 H new ATOM 229 N ALA A 12 6.933 -8.776 -4.706 1.00 0.00 N ATOM 230 CA ALA A 12 7.554 -9.303 -3.502 1.00 0.00 C ATOM 231 C ALA A 12 6.827 -8.751 -2.275 1.00 0.00 C ATOM 232 O ALA A 12 6.662 -9.453 -1.278 1.00 0.00 O ATOM 233 CB ALA A 12 9.044 -8.955 -3.502 1.00 0.00 C ATOM 0 H ALA A 12 7.490 -8.083 -5.205 1.00 0.00 H new ATOM 0 HA ALA A 12 7.473 -10.390 -3.472 1.00 0.00 H new ATOM 0 HB1 ALA A 12 9.510 -9.350 -2.599 1.00 0.00 H new ATOM 0 HB2 ALA A 12 9.520 -9.395 -4.378 1.00 0.00 H new ATOM 0 HB3 ALA A 12 9.165 -7.872 -3.528 1.00 0.00 H new ATOM 239 N VAL A 13 6.411 -7.498 -2.387 1.00 0.00 N ATOM 240 CA VAL A 13 5.705 -6.844 -1.298 1.00 0.00 C ATOM 241 C VAL A 13 4.342 -7.511 -1.106 1.00 0.00 C ATOM 242 O VAL A 13 3.856 -7.627 0.018 1.00 0.00 O ATOM 243 CB VAL A 13 5.603 -5.341 -1.569 1.00 0.00 C ATOM 244 CG1 VAL A 13 4.645 -4.670 -0.583 1.00 0.00 C ATOM 245 CG2 VAL A 13 6.983 -4.682 -1.529 1.00 0.00 C ATOM 0 H VAL A 13 6.549 -6.918 -3.215 1.00 0.00 H new ATOM 0 HA VAL A 13 6.255 -6.956 -0.364 1.00 0.00 H new ATOM 0 HB VAL A 13 5.198 -5.208 -2.572 1.00 0.00 H new ATOM 0 HG11 VAL A 13 4.591 -3.603 -0.798 1.00 0.00 H new ATOM 0 HG12 VAL A 13 3.653 -5.111 -0.682 1.00 0.00 H new ATOM 0 HG13 VAL A 13 5.008 -4.818 0.434 1.00 0.00 H new ATOM 0 HG21 VAL A 13 6.882 -3.614 -1.725 1.00 0.00 H new ATOM 0 HG22 VAL A 13 7.429 -4.830 -0.545 1.00 0.00 H new ATOM 0 HG23 VAL A 13 7.623 -5.131 -2.289 1.00 0.00 H new ATOM 255 N LEU A 14 3.762 -7.931 -2.221 1.00 0.00 N ATOM 256 CA LEU A 14 2.464 -8.584 -2.190 1.00 0.00 C ATOM 257 C LEU A 14 2.559 -9.857 -1.348 1.00 0.00 C ATOM 258 O LEU A 14 1.677 -10.137 -0.537 1.00 0.00 O ATOM 259 CB LEU A 14 1.951 -8.823 -3.611 1.00 0.00 C ATOM 260 CG LEU A 14 1.183 -7.664 -4.251 1.00 0.00 C ATOM 261 CD1 LEU A 14 -0.315 -7.970 -4.318 1.00 0.00 C ATOM 262 CD2 LEU A 14 1.468 -6.349 -3.522 1.00 0.00 C ATOM 0 H LEU A 14 4.167 -7.832 -3.152 1.00 0.00 H new ATOM 0 HA LEU A 14 1.725 -7.941 -1.713 1.00 0.00 H new ATOM 0 HB2 LEU A 14 2.802 -9.064 -4.248 1.00 0.00 H new ATOM 0 HB3 LEU A 14 1.303 -9.700 -3.600 1.00 0.00 H new ATOM 0 HG LEU A 14 1.534 -7.546 -5.276 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -0.838 -7.131 -4.777 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -0.477 -8.868 -4.914 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -0.699 -8.130 -3.311 1.00 0.00 H new ATOM 0 HD21 LEU A 14 0.910 -5.542 -3.997 1.00 0.00 H new ATOM 0 HD22 LEU A 14 1.162 -6.437 -2.479 1.00 0.00 H new ATOM 0 HD23 LEU A 14 2.535 -6.130 -3.570 1.00 0.00 H new ATOM 274 N SER A 15 3.636 -10.596 -1.568 1.00 0.00 N ATOM 275 CA SER A 15 3.858 -11.833 -0.839 1.00 0.00 C ATOM 276 C SER A 15 4.129 -11.531 0.636 1.00 0.00 C ATOM 277 O SER A 15 3.705 -12.279 1.515 1.00 0.00 O ATOM 278 CB SER A 15 5.019 -12.627 -1.441 1.00 0.00 C ATOM 279 OG SER A 15 4.716 -14.014 -1.555 1.00 0.00 O ATOM 0 H SER A 15 4.365 -10.362 -2.242 1.00 0.00 H new ATOM 0 HA SER A 15 2.958 -12.442 -0.918 1.00 0.00 H new ATOM 0 HB2 SER A 15 5.260 -12.227 -2.426 1.00 0.00 H new ATOM 0 HB3 SER A 15 5.906 -12.500 -0.820 1.00 0.00 H new ATOM 0 HG SER A 15 5.482 -14.485 -1.945 1.00 0.00 H new ATOM 285 N LEU A 16 4.834 -10.432 0.861 1.00 0.00 N ATOM 286 CA LEU A 16 5.167 -10.021 2.215 1.00 0.00 C ATOM 287 C LEU A 16 3.925 -9.428 2.883 1.00 0.00 C ATOM 288 O LEU A 16 3.679 -9.663 4.065 1.00 0.00 O ATOM 289 CB LEU A 16 6.371 -9.077 2.207 1.00 0.00 C ATOM 290 CG LEU A 16 6.310 -7.904 3.188 1.00 0.00 C ATOM 291 CD1 LEU A 16 7.680 -7.238 3.331 1.00 0.00 C ATOM 292 CD2 LEU A 16 5.226 -6.904 2.780 1.00 0.00 C ATOM 0 H LEU A 16 5.184 -9.814 0.129 1.00 0.00 H new ATOM 0 HA LEU A 16 5.470 -10.882 2.811 1.00 0.00 H new ATOM 0 HB2 LEU A 16 7.266 -9.660 2.424 1.00 0.00 H new ATOM 0 HB3 LEU A 16 6.487 -8.677 1.200 1.00 0.00 H new ATOM 0 HG LEU A 16 6.037 -8.292 4.169 1.00 0.00 H new ATOM 0 HD11 LEU A 16 7.609 -6.408 4.034 1.00 0.00 H new ATOM 0 HD12 LEU A 16 8.402 -7.966 3.701 1.00 0.00 H new ATOM 0 HD13 LEU A 16 8.006 -6.865 2.360 1.00 0.00 H new ATOM 0 HD21 LEU A 16 5.204 -6.080 3.494 1.00 0.00 H new ATOM 0 HD22 LEU A 16 5.445 -6.516 1.785 1.00 0.00 H new ATOM 0 HD23 LEU A 16 4.257 -7.402 2.770 1.00 0.00 H new ATOM 304 N CYS A 17 3.174 -8.669 2.097 1.00 0.00 N ATOM 305 CA CYS A 17 1.964 -8.040 2.598 1.00 0.00 C ATOM 306 C CYS A 17 1.060 -9.131 3.176 1.00 0.00 C ATOM 307 O CYS A 17 0.475 -8.956 4.244 1.00 0.00 O ATOM 308 CB CYS A 17 1.256 -7.229 1.511 1.00 0.00 C ATOM 309 SG CYS A 17 1.345 -5.444 1.904 1.00 0.00 S ATOM 0 H CYS A 17 3.381 -8.476 1.117 1.00 0.00 H new ATOM 0 HA CYS A 17 2.219 -7.327 3.382 1.00 0.00 H new ATOM 0 HB2 CYS A 17 1.719 -7.420 0.543 1.00 0.00 H new ATOM 0 HB3 CYS A 17 0.215 -7.541 1.433 1.00 0.00 H new ATOM 0 HG CYS A 17 2.496 -4.973 1.525 1.00 0.00 H new ATOM 315 N ALA A 18 0.974 -10.233 2.445 1.00 0.00 N ATOM 316 CA ALA A 18 0.151 -11.352 2.872 1.00 0.00 C ATOM 317 C ALA A 18 0.645 -11.853 4.230 1.00 0.00 C ATOM 318 O ALA A 18 -0.146 -12.322 5.047 1.00 0.00 O ATOM 319 CB ALA A 18 0.181 -12.444 1.801 1.00 0.00 C ATOM 0 H ALA A 18 1.461 -10.375 1.560 1.00 0.00 H new ATOM 0 HA ALA A 18 -0.887 -11.042 2.993 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -0.436 -13.284 2.120 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -0.206 -12.045 0.864 1.00 0.00 H new ATOM 0 HB3 ALA A 18 1.207 -12.782 1.655 1.00 0.00 H new ATOM 325 N ARG A 19 1.949 -11.737 4.430 1.00 0.00 N ATOM 326 CA ARG A 19 2.557 -12.173 5.676 1.00 0.00 C ATOM 327 C ARG A 19 2.173 -11.226 6.814 1.00 0.00 C ATOM 328 O ARG A 19 2.281 -11.582 7.986 1.00 0.00 O ATOM 329 CB ARG A 19 4.082 -12.223 5.556 1.00 0.00 C ATOM 330 CG ARG A 19 4.579 -13.669 5.491 1.00 0.00 C ATOM 331 CD ARG A 19 5.068 -14.018 4.084 1.00 0.00 C ATOM 332 NE ARG A 19 5.939 -15.214 4.133 1.00 0.00 N ATOM 333 CZ ARG A 19 7.139 -15.244 4.726 1.00 0.00 C ATOM 334 NH1 ARG A 19 7.619 -14.146 5.325 1.00 0.00 N ATOM 335 NH2 ARG A 19 7.861 -16.374 4.721 1.00 0.00 N ATOM 0 H ARG A 19 2.602 -11.347 3.750 1.00 0.00 H new ATOM 0 HA ARG A 19 2.187 -13.175 5.893 1.00 0.00 H new ATOM 0 HB2 ARG A 19 4.398 -11.685 4.662 1.00 0.00 H new ATOM 0 HB3 ARG A 19 4.534 -11.717 6.409 1.00 0.00 H new ATOM 0 HG2 ARG A 19 5.388 -13.812 6.207 1.00 0.00 H new ATOM 0 HG3 ARG A 19 3.775 -14.347 5.779 1.00 0.00 H new ATOM 0 HD2 ARG A 19 4.216 -14.205 3.430 1.00 0.00 H new ATOM 0 HD3 ARG A 19 5.616 -13.176 3.661 1.00 0.00 H new ATOM 0 HE ARG A 19 5.604 -16.068 3.687 1.00 0.00 H new ATOM 0 HH11 ARG A 19 7.070 -13.286 5.330 1.00 0.00 H new ATOM 0 HH12 ARG A 19 8.533 -14.170 5.777 1.00 0.00 H new ATOM 0 HH21 ARG A 19 7.496 -17.210 4.265 1.00 0.00 H new ATOM 0 HH22 ARG A 19 8.775 -16.397 5.173 1.00 0.00 H new ATOM 349 N HIS A 20 1.732 -10.037 6.429 1.00 0.00 N ATOM 350 CA HIS A 20 1.330 -9.036 7.402 1.00 0.00 C ATOM 351 C HIS A 20 -0.194 -9.026 7.529 1.00 0.00 C ATOM 352 O HIS A 20 -0.759 -8.169 8.208 1.00 0.00 O ATOM 353 CB HIS A 20 1.905 -7.665 7.040 1.00 0.00 C ATOM 354 CG HIS A 20 3.407 -7.576 7.165 1.00 0.00 C ATOM 355 ND1 HIS A 20 4.046 -7.345 8.371 1.00 0.00 N ATOM 356 CD2 HIS A 20 4.388 -7.691 6.225 1.00 0.00 C ATOM 357 CE1 HIS A 20 5.353 -7.322 8.154 1.00 0.00 C ATOM 358 NE2 HIS A 20 5.563 -7.537 6.823 1.00 0.00 N ATOM 0 H HIS A 20 1.644 -9.745 5.456 1.00 0.00 H new ATOM 0 HA HIS A 20 1.739 -9.290 8.380 1.00 0.00 H new ATOM 0 HB2 HIS A 20 1.621 -7.422 6.016 1.00 0.00 H new ATOM 0 HB3 HIS A 20 1.452 -6.911 7.684 1.00 0.00 H new ATOM 0 HD2 HIS A 20 4.235 -7.876 5.172 1.00 0.00 H new ATOM 0 HE1 HIS A 20 6.118 -7.161 8.900 1.00 0.00 H new ATOM 0 HE2 HIS A 20 6.473 -7.573 6.363 1.00 0.00 H new ATOM 366 N GLY A 21 -0.818 -9.987 6.864 1.00 0.00 N ATOM 367 CA GLY A 21 -2.266 -10.099 6.894 1.00 0.00 C ATOM 368 C GLY A 21 -2.901 -9.313 5.745 1.00 0.00 C ATOM 369 O GLY A 21 -4.081 -9.488 5.446 1.00 0.00 O ATOM 0 H GLY A 21 -0.347 -10.695 6.301 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -2.555 -11.148 6.825 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -2.643 -9.727 7.846 1.00 0.00 H new ATOM 373 N ALA A 22 -2.089 -8.463 5.133 1.00 0.00 N ATOM 374 CA ALA A 22 -2.556 -7.649 4.024 1.00 0.00 C ATOM 375 C ALA A 22 -3.100 -8.560 2.922 1.00 0.00 C ATOM 376 O ALA A 22 -2.508 -9.595 2.620 1.00 0.00 O ATOM 377 CB ALA A 22 -1.417 -6.754 3.532 1.00 0.00 C ATOM 0 H ALA A 22 -1.111 -8.321 5.384 1.00 0.00 H new ATOM 0 HA ALA A 22 -3.369 -6.996 4.343 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -1.768 -6.143 2.700 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -1.087 -6.106 4.344 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -0.584 -7.374 3.201 1.00 0.00 H new ATOM 383 N VAL A 23 -4.220 -8.142 2.351 1.00 0.00 N ATOM 384 CA VAL A 23 -4.850 -8.907 1.289 1.00 0.00 C ATOM 385 C VAL A 23 -5.355 -7.950 0.207 1.00 0.00 C ATOM 386 O VAL A 23 -5.116 -8.167 -0.980 1.00 0.00 O ATOM 387 CB VAL A 23 -5.955 -9.794 1.867 1.00 0.00 C ATOM 388 CG1 VAL A 23 -5.419 -11.186 2.206 1.00 0.00 C ATOM 389 CG2 VAL A 23 -6.598 -9.140 3.092 1.00 0.00 C ATOM 0 H VAL A 23 -4.708 -7.283 2.604 1.00 0.00 H new ATOM 0 HA VAL A 23 -4.128 -9.575 0.820 1.00 0.00 H new ATOM 0 HB VAL A 23 -6.726 -9.909 1.105 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -6.224 -11.796 2.615 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -5.030 -11.656 1.303 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -4.620 -11.099 2.942 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -7.380 -9.791 3.483 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -5.840 -8.981 3.859 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -7.032 -8.182 2.807 1.00 0.00 H new ATOM 399 N ARG A 24 -6.045 -6.912 0.656 1.00 0.00 N ATOM 400 CA ARG A 24 -6.586 -5.921 -0.258 1.00 0.00 C ATOM 401 C ARG A 24 -5.455 -5.103 -0.885 1.00 0.00 C ATOM 402 O ARG A 24 -5.419 -3.881 -0.748 1.00 0.00 O ATOM 403 CB ARG A 24 -7.552 -4.977 0.461 1.00 0.00 C ATOM 404 CG ARG A 24 -9.003 -5.418 0.259 1.00 0.00 C ATOM 405 CD ARG A 24 -9.471 -5.126 -1.168 1.00 0.00 C ATOM 406 NE ARG A 24 -10.872 -4.649 -1.153 1.00 0.00 N ATOM 407 CZ ARG A 24 -11.919 -5.403 -0.790 1.00 0.00 C ATOM 408 NH1 ARG A 24 -11.729 -6.674 -0.411 1.00 0.00 N ATOM 409 NH2 ARG A 24 -13.155 -4.886 -0.807 1.00 0.00 N ATOM 0 H ARG A 24 -6.242 -6.736 1.641 1.00 0.00 H new ATOM 0 HA ARG A 24 -7.130 -6.453 -1.039 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -7.320 -4.955 1.526 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -7.421 -3.962 0.086 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -9.095 -6.485 0.465 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -9.647 -4.900 0.970 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -8.827 -4.374 -1.624 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -9.391 -6.026 -1.777 1.00 0.00 H new ATOM 0 HE ARG A 24 -11.052 -3.686 -1.437 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -10.788 -7.067 -0.399 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -12.525 -7.248 -0.135 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -13.299 -3.919 -1.096 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -13.952 -5.460 -0.531 1.00 0.00 H new ATOM 423 N VAL A 25 -4.560 -5.810 -1.559 1.00 0.00 N ATOM 424 CA VAL A 25 -3.431 -5.164 -2.207 1.00 0.00 C ATOM 425 C VAL A 25 -3.937 -4.303 -3.366 1.00 0.00 C ATOM 426 O VAL A 25 -4.303 -4.825 -4.418 1.00 0.00 O ATOM 427 CB VAL A 25 -2.408 -6.215 -2.645 1.00 0.00 C ATOM 428 CG1 VAL A 25 -1.770 -6.898 -1.433 1.00 0.00 C ATOM 429 CG2 VAL A 25 -3.046 -7.243 -3.581 1.00 0.00 C ATOM 0 H VAL A 25 -4.594 -6.823 -1.670 1.00 0.00 H new ATOM 0 HA VAL A 25 -2.919 -4.501 -1.510 1.00 0.00 H new ATOM 0 HB VAL A 25 -1.618 -5.705 -3.196 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -1.047 -7.640 -1.772 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -1.264 -6.152 -0.820 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -2.544 -7.389 -0.843 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -2.298 -7.978 -3.878 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -3.865 -7.745 -3.066 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -3.430 -6.739 -4.468 1.00 0.00 H new ATOM 439 N ARG A 26 -3.942 -2.999 -3.133 1.00 0.00 N ATOM 440 CA ARG A 26 -4.398 -2.060 -4.145 1.00 0.00 C ATOM 441 C ARG A 26 -3.715 -0.704 -3.956 1.00 0.00 C ATOM 442 O ARG A 26 -3.294 -0.366 -2.851 1.00 0.00 O ATOM 443 CB ARG A 26 -5.915 -1.874 -4.080 1.00 0.00 C ATOM 444 CG ARG A 26 -6.616 -2.697 -5.162 1.00 0.00 C ATOM 445 CD ARG A 26 -8.119 -2.413 -5.180 1.00 0.00 C ATOM 446 NE ARG A 26 -8.874 -3.667 -4.962 1.00 0.00 N ATOM 447 CZ ARG A 26 -10.144 -3.856 -5.346 1.00 0.00 C ATOM 448 NH1 ARG A 26 -10.808 -2.874 -5.971 1.00 0.00 N ATOM 449 NH2 ARG A 26 -10.749 -5.027 -5.106 1.00 0.00 N ATOM 0 H ARG A 26 -3.638 -2.570 -2.259 1.00 0.00 H new ATOM 0 HA ARG A 26 -4.136 -2.470 -5.121 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -6.280 -2.173 -3.097 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -6.161 -0.819 -4.204 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -6.187 -2.464 -6.136 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -6.445 -3.759 -4.984 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -8.370 -1.689 -4.405 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -8.402 -1.970 -6.135 1.00 0.00 H new ATOM 0 HE ARG A 26 -8.398 -4.436 -4.490 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -10.347 -1.983 -6.154 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -11.775 -3.018 -6.263 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -10.243 -5.775 -4.631 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -11.716 -5.171 -5.398 1.00 0.00 H new ATOM 463 N VAL A 27 -3.628 0.036 -5.052 1.00 0.00 N ATOM 464 CA VAL A 27 -3.004 1.348 -5.021 1.00 0.00 C ATOM 465 C VAL A 27 -4.068 2.420 -5.264 1.00 0.00 C ATOM 466 O VAL A 27 -4.745 2.405 -6.291 1.00 0.00 O ATOM 467 CB VAL A 27 -1.856 1.405 -6.031 1.00 0.00 C ATOM 468 CG1 VAL A 27 -0.834 2.474 -5.640 1.00 0.00 C ATOM 469 CG2 VAL A 27 -1.188 0.036 -6.180 1.00 0.00 C ATOM 0 H VAL A 27 -3.979 -0.248 -5.967 1.00 0.00 H new ATOM 0 HA VAL A 27 -2.567 1.540 -4.041 1.00 0.00 H new ATOM 0 HB VAL A 27 -2.275 1.680 -6.999 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -0.029 2.493 -6.374 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -1.321 3.449 -5.609 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -0.423 2.242 -4.657 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -0.376 0.104 -6.904 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -0.790 -0.281 -5.216 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -1.922 -0.691 -6.527 1.00 0.00 H new ATOM 479 N PHE A 28 -4.182 3.324 -4.302 1.00 0.00 N ATOM 480 CA PHE A 28 -5.152 4.401 -4.399 1.00 0.00 C ATOM 481 C PHE A 28 -4.475 5.764 -4.245 1.00 0.00 C ATOM 482 O PHE A 28 -3.653 5.955 -3.350 1.00 0.00 O ATOM 483 CB PHE A 28 -6.150 4.208 -3.256 1.00 0.00 C ATOM 484 CG PHE A 28 -5.690 4.801 -1.922 1.00 0.00 C ATOM 485 CD1 PHE A 28 -5.874 6.124 -1.666 1.00 0.00 C ATOM 486 CD2 PHE A 28 -5.098 4.005 -0.992 1.00 0.00 C ATOM 487 CE1 PHE A 28 -5.448 6.674 -0.429 1.00 0.00 C ATOM 488 CE2 PHE A 28 -4.671 4.555 0.246 1.00 0.00 C ATOM 489 CZ PHE A 28 -4.855 5.878 0.501 1.00 0.00 C ATOM 0 H PHE A 28 -3.619 3.333 -3.452 1.00 0.00 H new ATOM 0 HA PHE A 28 -5.640 4.376 -5.373 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -7.100 4.663 -3.536 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -6.334 3.142 -3.124 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -6.345 6.756 -2.404 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -4.952 2.954 -1.195 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -5.595 7.725 -0.226 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -4.200 3.923 0.984 1.00 0.00 H new ATOM 0 HZ PHE A 28 -4.530 6.297 1.442 1.00 0.00 H new ATOM 499 N GLY A 29 -4.845 6.677 -5.131 1.00 0.00 N ATOM 500 CA GLY A 29 -4.284 8.017 -5.105 1.00 0.00 C ATOM 501 C GLY A 29 -3.571 8.339 -6.420 1.00 0.00 C ATOM 502 O GLY A 29 -3.819 7.695 -7.438 1.00 0.00 O ATOM 0 H GLY A 29 -5.527 6.515 -5.872 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -5.077 8.744 -4.930 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -3.582 8.105 -4.276 1.00 0.00 H new ATOM 506 N SER A 30 -2.700 9.335 -6.356 1.00 0.00 N ATOM 507 CA SER A 30 -1.950 9.751 -7.529 1.00 0.00 C ATOM 508 C SER A 30 -0.878 8.711 -7.859 1.00 0.00 C ATOM 509 O SER A 30 -0.527 8.525 -9.023 1.00 0.00 O ATOM 510 CB SER A 30 -1.311 11.124 -7.316 1.00 0.00 C ATOM 511 OG SER A 30 -1.799 12.090 -8.243 1.00 0.00 O ATOM 0 H SER A 30 -2.497 9.867 -5.510 1.00 0.00 H new ATOM 0 HA SER A 30 -2.642 9.830 -8.368 1.00 0.00 H new ATOM 0 HB2 SER A 30 -1.511 11.463 -6.300 1.00 0.00 H new ATOM 0 HB3 SER A 30 -0.229 11.040 -7.416 1.00 0.00 H new ATOM 0 HG SER A 30 -1.731 11.734 -9.153 1.00 0.00 H new ATOM 517 N VAL A 31 -0.387 8.061 -6.814 1.00 0.00 N ATOM 518 CA VAL A 31 0.639 7.045 -6.979 1.00 0.00 C ATOM 519 C VAL A 31 0.129 5.962 -7.932 1.00 0.00 C ATOM 520 O VAL A 31 0.828 5.575 -8.867 1.00 0.00 O ATOM 521 CB VAL A 31 1.053 6.493 -5.613 1.00 0.00 C ATOM 522 CG1 VAL A 31 1.683 7.587 -4.748 1.00 0.00 C ATOM 523 CG2 VAL A 31 -0.136 5.847 -4.899 1.00 0.00 C ATOM 0 H VAL A 31 -0.681 8.218 -5.850 1.00 0.00 H new ATOM 0 HA VAL A 31 1.535 7.476 -7.426 1.00 0.00 H new ATOM 0 HB VAL A 31 1.805 5.721 -5.778 1.00 0.00 H new ATOM 0 HG11 VAL A 31 1.968 7.169 -3.783 1.00 0.00 H new ATOM 0 HG12 VAL A 31 2.567 7.982 -5.248 1.00 0.00 H new ATOM 0 HG13 VAL A 31 0.963 8.391 -4.596 1.00 0.00 H new ATOM 0 HG21 VAL A 31 0.186 5.463 -3.931 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -0.920 6.590 -4.752 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -0.522 5.027 -5.504 1.00 0.00 H new ATOM 533 N ALA A 32 -1.084 5.504 -7.661 1.00 0.00 N ATOM 534 CA ALA A 32 -1.695 4.473 -8.483 1.00 0.00 C ATOM 535 C ALA A 32 -1.663 4.910 -9.949 1.00 0.00 C ATOM 536 O ALA A 32 -1.491 4.083 -10.843 1.00 0.00 O ATOM 537 CB ALA A 32 -3.117 4.201 -7.987 1.00 0.00 C ATOM 0 H ALA A 32 -1.660 5.828 -6.884 1.00 0.00 H new ATOM 0 HA ALA A 32 -1.138 3.539 -8.405 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -3.576 3.428 -8.603 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -3.083 3.866 -6.950 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -3.707 5.115 -8.054 1.00 0.00 H new ATOM 543 N ARG A 33 -1.831 6.208 -10.151 1.00 0.00 N ATOM 544 CA ARG A 33 -1.823 6.765 -11.493 1.00 0.00 C ATOM 545 C ARG A 33 -0.387 7.048 -11.942 1.00 0.00 C ATOM 546 O ARG A 33 -0.168 7.631 -13.002 1.00 0.00 O ATOM 547 CB ARG A 33 -2.634 8.060 -11.557 1.00 0.00 C ATOM 548 CG ARG A 33 -4.089 7.777 -11.935 1.00 0.00 C ATOM 549 CD ARG A 33 -4.769 9.035 -12.481 1.00 0.00 C ATOM 550 NE ARG A 33 -5.343 8.760 -13.817 1.00 0.00 N ATOM 551 CZ ARG A 33 -4.636 8.767 -14.955 1.00 0.00 C ATOM 552 NH1 ARG A 33 -3.323 9.035 -14.926 1.00 0.00 N ATOM 553 NH2 ARG A 33 -5.241 8.506 -16.122 1.00 0.00 N ATOM 0 H ARG A 33 -1.974 6.891 -9.407 1.00 0.00 H new ATOM 0 HA ARG A 33 -2.278 6.032 -12.159 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -2.597 8.565 -10.592 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -2.190 8.736 -12.287 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -4.127 6.985 -12.683 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -4.632 7.416 -11.061 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -5.554 9.359 -11.798 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -4.047 9.849 -12.547 1.00 0.00 H new ATOM 0 HE ARG A 33 -6.340 8.552 -13.875 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -2.863 9.233 -14.038 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -2.784 9.040 -15.792 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -6.240 8.302 -16.144 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -4.702 8.511 -16.988 1.00 0.00 H new ATOM 567 N GLY A 34 0.553 6.621 -11.112 1.00 0.00 N ATOM 568 CA GLY A 34 1.961 6.821 -11.410 1.00 0.00 C ATOM 569 C GLY A 34 2.367 8.279 -11.186 1.00 0.00 C ATOM 570 O GLY A 34 3.003 8.889 -12.045 1.00 0.00 O ATOM 0 H GLY A 34 0.367 6.137 -10.233 1.00 0.00 H new ATOM 0 HA2 GLY A 34 2.566 6.170 -10.779 1.00 0.00 H new ATOM 0 HA3 GLY A 34 2.161 6.539 -12.444 1.00 0.00 H new ATOM 574 N GLU A 35 1.984 8.795 -10.028 1.00 0.00 N ATOM 575 CA GLU A 35 2.300 10.170 -9.680 1.00 0.00 C ATOM 576 C GLU A 35 2.892 10.239 -8.271 1.00 0.00 C ATOM 577 O GLU A 35 2.283 9.763 -7.314 1.00 0.00 O ATOM 578 CB GLU A 35 1.064 11.064 -9.800 1.00 0.00 C ATOM 579 CG GLU A 35 0.772 11.404 -11.263 1.00 0.00 C ATOM 580 CD GLU A 35 -0.562 10.804 -11.709 1.00 0.00 C ATOM 581 OE1 GLU A 35 -1.470 10.739 -10.852 1.00 0.00 O ATOM 582 OE2 GLU A 35 -0.645 10.423 -12.897 1.00 0.00 O ATOM 0 H GLU A 35 1.457 8.286 -9.318 1.00 0.00 H new ATOM 0 HA GLU A 35 3.045 10.540 -10.384 1.00 0.00 H new ATOM 0 HB2 GLU A 35 0.203 10.560 -9.361 1.00 0.00 H new ATOM 0 HB3 GLU A 35 1.219 11.982 -9.234 1.00 0.00 H new ATOM 0 HG2 GLU A 35 0.749 12.486 -11.391 1.00 0.00 H new ATOM 0 HG3 GLU A 35 1.575 11.025 -11.895 1.00 0.00 H new ATOM 589 N ALA A 36 4.073 10.835 -8.188 1.00 0.00 N ATOM 590 CA ALA A 36 4.754 10.972 -6.912 1.00 0.00 C ATOM 591 C ALA A 36 6.188 11.449 -7.153 1.00 0.00 C ATOM 592 O ALA A 36 7.043 10.671 -7.572 1.00 0.00 O ATOM 593 CB ALA A 36 4.701 9.641 -6.160 1.00 0.00 C ATOM 0 H ALA A 36 4.575 11.228 -8.984 1.00 0.00 H new ATOM 0 HA ALA A 36 4.259 11.718 -6.290 1.00 0.00 H new ATOM 0 HB1 ALA A 36 5.212 9.743 -5.203 1.00 0.00 H new ATOM 0 HB2 ALA A 36 3.662 9.361 -5.989 1.00 0.00 H new ATOM 0 HB3 ALA A 36 5.192 8.869 -6.752 1.00 0.00 H new ATOM 599 N ARG A 37 6.406 12.727 -6.877 1.00 0.00 N ATOM 600 CA ARG A 37 7.721 13.317 -7.058 1.00 0.00 C ATOM 601 C ARG A 37 8.735 12.652 -6.125 1.00 0.00 C ATOM 602 O ARG A 37 8.460 11.597 -5.556 1.00 0.00 O ATOM 603 CB ARG A 37 7.693 14.821 -6.780 1.00 0.00 C ATOM 604 CG ARG A 37 7.365 15.101 -5.312 1.00 0.00 C ATOM 605 CD ARG A 37 6.283 16.176 -5.187 1.00 0.00 C ATOM 606 NE ARG A 37 5.110 15.632 -4.468 1.00 0.00 N ATOM 607 CZ ARG A 37 4.229 16.382 -3.791 1.00 0.00 C ATOM 608 NH1 ARG A 37 4.384 17.712 -3.737 1.00 0.00 N ATOM 609 NH2 ARG A 37 3.194 15.802 -3.169 1.00 0.00 N ATOM 0 H ARG A 37 5.694 13.370 -6.530 1.00 0.00 H new ATOM 0 HA ARG A 37 8.016 13.156 -8.095 1.00 0.00 H new ATOM 0 HB2 ARG A 37 8.659 15.259 -7.030 1.00 0.00 H new ATOM 0 HB3 ARG A 37 6.951 15.299 -7.420 1.00 0.00 H new ATOM 0 HG2 ARG A 37 7.028 14.183 -4.830 1.00 0.00 H new ATOM 0 HG3 ARG A 37 8.266 15.424 -4.790 1.00 0.00 H new ATOM 0 HD2 ARG A 37 6.678 17.041 -4.654 1.00 0.00 H new ATOM 0 HD3 ARG A 37 5.985 16.521 -6.177 1.00 0.00 H new ATOM 0 HE ARG A 37 4.962 14.623 -4.489 1.00 0.00 H new ATOM 0 HH11 ARG A 37 5.172 18.153 -4.211 1.00 0.00 H new ATOM 0 HH12 ARG A 37 3.714 18.283 -3.222 1.00 0.00 H new ATOM 0 HH21 ARG A 37 3.076 14.790 -3.210 1.00 0.00 H new ATOM 0 HH22 ARG A 37 2.524 16.373 -2.654 1.00 0.00 H new ATOM 623 N GLU A 38 9.886 13.296 -5.998 1.00 0.00 N ATOM 624 CA GLU A 38 10.942 12.779 -5.144 1.00 0.00 C ATOM 625 C GLU A 38 10.738 13.252 -3.703 1.00 0.00 C ATOM 626 O GLU A 38 11.666 13.213 -2.896 1.00 0.00 O ATOM 627 CB GLU A 38 12.320 13.191 -5.667 1.00 0.00 C ATOM 628 CG GLU A 38 12.443 12.913 -7.166 1.00 0.00 C ATOM 629 CD GLU A 38 13.141 11.576 -7.421 1.00 0.00 C ATOM 630 OE1 GLU A 38 12.890 10.644 -6.626 1.00 0.00 O ATOM 631 OE2 GLU A 38 13.909 11.515 -8.405 1.00 0.00 O ATOM 0 H GLU A 38 10.110 14.171 -6.472 1.00 0.00 H new ATOM 0 HA GLU A 38 10.895 11.690 -5.158 1.00 0.00 H new ATOM 0 HB2 GLU A 38 12.483 14.252 -5.476 1.00 0.00 H new ATOM 0 HB3 GLU A 38 13.095 12.647 -5.128 1.00 0.00 H new ATOM 0 HG2 GLU A 38 11.452 12.902 -7.620 1.00 0.00 H new ATOM 0 HG3 GLU A 38 13.003 13.717 -7.644 1.00 0.00 H new ATOM 638 N ASP A 39 9.518 13.688 -3.424 1.00 0.00 N ATOM 639 CA ASP A 39 9.181 14.168 -2.095 1.00 0.00 C ATOM 640 C ASP A 39 7.693 13.928 -1.833 1.00 0.00 C ATOM 641 O ASP A 39 7.094 14.588 -0.986 1.00 0.00 O ATOM 642 CB ASP A 39 9.448 15.669 -1.967 1.00 0.00 C ATOM 643 CG ASP A 39 9.261 16.241 -0.560 1.00 0.00 C ATOM 644 OD1 ASP A 39 9.114 15.421 0.371 1.00 0.00 O ATOM 645 OD2 ASP A 39 9.269 17.486 -0.449 1.00 0.00 O ATOM 0 H ASP A 39 8.751 13.719 -4.096 1.00 0.00 H new ATOM 0 HA ASP A 39 9.798 13.630 -1.376 1.00 0.00 H new ATOM 0 HB2 ASP A 39 10.469 15.870 -2.292 1.00 0.00 H new ATOM 0 HB3 ASP A 39 8.785 16.200 -2.650 1.00 0.00 H new ATOM 650 N SER A 40 7.139 12.982 -2.577 1.00 0.00 N ATOM 651 CA SER A 40 5.732 12.647 -2.436 1.00 0.00 C ATOM 652 C SER A 40 5.573 11.429 -1.523 1.00 0.00 C ATOM 653 O SER A 40 6.561 10.815 -1.124 1.00 0.00 O ATOM 654 CB SER A 40 5.091 12.375 -3.799 1.00 0.00 C ATOM 655 OG SER A 40 3.874 13.096 -3.969 1.00 0.00 O ATOM 0 H SER A 40 7.639 12.437 -3.279 1.00 0.00 H new ATOM 0 HA SER A 40 5.221 13.499 -1.988 1.00 0.00 H new ATOM 0 HB2 SER A 40 5.789 12.650 -4.590 1.00 0.00 H new ATOM 0 HB3 SER A 40 4.897 11.307 -3.902 1.00 0.00 H new ATOM 0 HG SER A 40 3.275 12.592 -4.558 1.00 0.00 H new ATOM 661 N ASP A 41 4.322 11.118 -1.218 1.00 0.00 N ATOM 662 CA ASP A 41 4.021 9.985 -0.360 1.00 0.00 C ATOM 663 C ASP A 41 3.340 8.891 -1.185 1.00 0.00 C ATOM 664 O ASP A 41 2.673 9.182 -2.177 1.00 0.00 O ATOM 665 CB ASP A 41 3.069 10.387 0.769 1.00 0.00 C ATOM 666 CG ASP A 41 2.340 11.716 0.558 1.00 0.00 C ATOM 667 OD1 ASP A 41 1.802 11.897 -0.556 1.00 0.00 O ATOM 668 OD2 ASP A 41 2.338 12.520 1.515 1.00 0.00 O ATOM 0 H ASP A 41 3.505 11.631 -1.550 1.00 0.00 H new ATOM 0 HA ASP A 41 4.958 9.628 0.067 1.00 0.00 H new ATOM 0 HB2 ASP A 41 2.327 9.599 0.896 1.00 0.00 H new ATOM 0 HB3 ASP A 41 3.635 10.444 1.699 1.00 0.00 H new ATOM 673 N LEU A 42 3.531 7.656 -0.745 1.00 0.00 N ATOM 674 CA LEU A 42 2.944 6.518 -1.431 1.00 0.00 C ATOM 675 C LEU A 42 1.712 6.042 -0.658 1.00 0.00 C ATOM 676 O LEU A 42 1.835 5.495 0.437 1.00 0.00 O ATOM 677 CB LEU A 42 3.992 5.425 -1.651 1.00 0.00 C ATOM 678 CG LEU A 42 3.529 4.201 -2.443 1.00 0.00 C ATOM 679 CD1 LEU A 42 3.153 4.585 -3.875 1.00 0.00 C ATOM 680 CD2 LEU A 42 4.582 3.092 -2.404 1.00 0.00 C ATOM 0 H LEU A 42 4.084 7.419 0.078 1.00 0.00 H new ATOM 0 HA LEU A 42 2.605 6.807 -2.426 1.00 0.00 H new ATOM 0 HB2 LEU A 42 4.845 5.866 -2.167 1.00 0.00 H new ATOM 0 HB3 LEU A 42 4.348 5.089 -0.677 1.00 0.00 H new ATOM 0 HG LEU A 42 2.630 3.807 -1.969 1.00 0.00 H new ATOM 0 HD11 LEU A 42 2.827 3.697 -4.416 1.00 0.00 H new ATOM 0 HD12 LEU A 42 2.344 5.315 -3.855 1.00 0.00 H new ATOM 0 HD13 LEU A 42 4.020 5.017 -4.375 1.00 0.00 H new ATOM 0 HD21 LEU A 42 4.228 2.234 -2.975 1.00 0.00 H new ATOM 0 HD22 LEU A 42 5.512 3.458 -2.839 1.00 0.00 H new ATOM 0 HD23 LEU A 42 4.758 2.793 -1.371 1.00 0.00 H new ATOM 692 N ASP A 43 0.553 6.268 -1.259 1.00 0.00 N ATOM 693 CA ASP A 43 -0.700 5.870 -0.640 1.00 0.00 C ATOM 694 C ASP A 43 -1.066 4.458 -1.104 1.00 0.00 C ATOM 695 O ASP A 43 -1.247 4.220 -2.297 1.00 0.00 O ATOM 696 CB ASP A 43 -1.838 6.810 -1.044 1.00 0.00 C ATOM 697 CG ASP A 43 -1.765 8.212 -0.436 1.00 0.00 C ATOM 698 OD1 ASP A 43 -0.762 8.902 -0.719 1.00 0.00 O ATOM 699 OD2 ASP A 43 -2.713 8.561 0.299 1.00 0.00 O ATOM 0 H ASP A 43 0.455 6.721 -2.167 1.00 0.00 H new ATOM 0 HA ASP A 43 -0.569 5.907 0.441 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -1.845 6.901 -2.130 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -2.785 6.354 -0.756 1.00 0.00 H new ATOM 704 N LEU A 44 -1.166 3.559 -0.136 1.00 0.00 N ATOM 705 CA LEU A 44 -1.507 2.177 -0.430 1.00 0.00 C ATOM 706 C LEU A 44 -2.616 1.718 0.519 1.00 0.00 C ATOM 707 O LEU A 44 -2.479 1.821 1.737 1.00 0.00 O ATOM 708 CB LEU A 44 -0.257 1.296 -0.387 1.00 0.00 C ATOM 709 CG LEU A 44 0.303 0.862 -1.743 1.00 0.00 C ATOM 710 CD1 LEU A 44 0.587 2.074 -2.633 1.00 0.00 C ATOM 711 CD2 LEU A 44 1.540 -0.022 -1.568 1.00 0.00 C ATOM 0 H LEU A 44 -1.017 3.760 0.853 1.00 0.00 H new ATOM 0 HA LEU A 44 -1.897 2.088 -1.444 1.00 0.00 H new ATOM 0 HB2 LEU A 44 0.524 1.833 0.151 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -0.486 0.402 0.192 1.00 0.00 H new ATOM 0 HG LEU A 44 -0.454 0.262 -2.248 1.00 0.00 H new ATOM 0 HD11 LEU A 44 0.984 1.737 -3.591 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -0.337 2.629 -2.798 1.00 0.00 H new ATOM 0 HD13 LEU A 44 1.316 2.721 -2.145 1.00 0.00 H new ATOM 0 HD21 LEU A 44 1.918 -0.317 -2.547 1.00 0.00 H new ATOM 0 HD22 LEU A 44 2.311 0.533 -1.033 1.00 0.00 H new ATOM 0 HD23 LEU A 44 1.273 -0.913 -0.999 1.00 0.00 H new ATOM 723 N LEU A 45 -3.691 1.220 -0.076 1.00 0.00 N ATOM 724 CA LEU A 45 -4.823 0.745 0.701 1.00 0.00 C ATOM 725 C LEU A 45 -4.797 -0.784 0.748 1.00 0.00 C ATOM 726 O LEU A 45 -4.993 -1.443 -0.272 1.00 0.00 O ATOM 727 CB LEU A 45 -6.129 1.321 0.152 1.00 0.00 C ATOM 728 CG LEU A 45 -7.415 0.638 0.624 1.00 0.00 C ATOM 729 CD1 LEU A 45 -7.441 0.512 2.148 1.00 0.00 C ATOM 730 CD2 LEU A 45 -8.650 1.364 0.088 1.00 0.00 C ATOM 0 H LEU A 45 -3.801 1.135 -1.086 1.00 0.00 H new ATOM 0 HA LEU A 45 -4.754 1.098 1.730 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -6.180 2.375 0.424 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -6.095 1.274 -0.936 1.00 0.00 H new ATOM 0 HG LEU A 45 -7.434 -0.373 0.217 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -8.365 0.023 2.457 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -6.589 -0.082 2.479 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -7.388 1.504 2.596 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -9.550 0.858 0.438 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -8.650 2.394 0.445 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -8.631 1.358 -1.002 1.00 0.00 H new ATOM 742 N VAL A 46 -4.554 -1.304 1.942 1.00 0.00 N ATOM 743 CA VAL A 46 -4.500 -2.743 2.135 1.00 0.00 C ATOM 744 C VAL A 46 -5.394 -3.129 3.316 1.00 0.00 C ATOM 745 O VAL A 46 -5.713 -2.290 4.157 1.00 0.00 O ATOM 746 CB VAL A 46 -3.049 -3.194 2.312 1.00 0.00 C ATOM 747 CG1 VAL A 46 -2.421 -3.560 0.966 1.00 0.00 C ATOM 748 CG2 VAL A 46 -2.225 -2.121 3.027 1.00 0.00 C ATOM 0 H VAL A 46 -4.392 -0.754 2.786 1.00 0.00 H new ATOM 0 HA VAL A 46 -4.882 -3.260 1.255 1.00 0.00 H new ATOM 0 HB VAL A 46 -3.050 -4.088 2.936 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -1.390 -3.877 1.120 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -2.986 -4.373 0.510 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -2.439 -2.691 0.308 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -1.197 -2.467 3.140 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -2.236 -1.202 2.440 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -2.653 -1.928 4.011 1.00 0.00 H new ATOM 758 N ALA A 47 -5.773 -4.398 3.340 1.00 0.00 N ATOM 759 CA ALA A 47 -6.623 -4.905 4.404 1.00 0.00 C ATOM 760 C ALA A 47 -5.954 -6.120 5.050 1.00 0.00 C ATOM 761 O ALA A 47 -5.547 -7.051 4.358 1.00 0.00 O ATOM 762 CB ALA A 47 -8.006 -5.233 3.839 1.00 0.00 C ATOM 0 H ALA A 47 -5.507 -5.090 2.640 1.00 0.00 H new ATOM 0 HA ALA A 47 -6.758 -4.152 5.180 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -8.644 -5.613 4.637 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -8.450 -4.331 3.418 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -7.911 -5.989 3.059 1.00 0.00 H new ATOM 768 N PHE A 48 -5.862 -6.071 6.371 1.00 0.00 N ATOM 769 CA PHE A 48 -5.249 -7.155 7.119 1.00 0.00 C ATOM 770 C PHE A 48 -6.291 -8.201 7.522 1.00 0.00 C ATOM 771 O PHE A 48 -7.206 -7.907 8.290 1.00 0.00 O ATOM 772 CB PHE A 48 -4.645 -6.542 8.384 1.00 0.00 C ATOM 773 CG PHE A 48 -3.627 -5.432 8.112 1.00 0.00 C ATOM 774 CD1 PHE A 48 -2.522 -5.692 7.362 1.00 0.00 C ATOM 775 CD2 PHE A 48 -3.827 -4.186 8.620 1.00 0.00 C ATOM 776 CE1 PHE A 48 -1.578 -4.662 7.110 1.00 0.00 C ATOM 777 CE2 PHE A 48 -2.882 -3.157 8.367 1.00 0.00 C ATOM 778 CZ PHE A 48 -1.778 -3.416 7.618 1.00 0.00 C ATOM 0 H PHE A 48 -6.202 -5.297 6.942 1.00 0.00 H new ATOM 0 HA PHE A 48 -4.495 -7.649 6.506 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -5.449 -6.140 9.001 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -4.163 -7.330 8.963 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -2.363 -6.681 6.959 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -4.704 -3.980 9.215 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -0.701 -4.868 6.515 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -3.041 -2.168 8.770 1.00 0.00 H new ATOM 0 HZ PHE A 48 -1.060 -2.633 7.426 1.00 0.00 H new ATOM 788 N GLU A 49 -6.118 -9.400 6.985 1.00 0.00 N ATOM 789 CA GLU A 49 -7.032 -10.490 7.279 1.00 0.00 C ATOM 790 C GLU A 49 -6.701 -11.109 8.639 1.00 0.00 C ATOM 791 O GLU A 49 -6.316 -10.402 9.569 1.00 0.00 O ATOM 792 CB GLU A 49 -6.998 -11.547 6.173 1.00 0.00 C ATOM 793 CG GLU A 49 -5.634 -12.237 6.116 1.00 0.00 C ATOM 794 CD GLU A 49 -5.450 -12.978 4.790 1.00 0.00 C ATOM 795 OE1 GLU A 49 -6.486 -13.345 4.196 1.00 0.00 O ATOM 796 OE2 GLU A 49 -4.276 -13.160 4.400 1.00 0.00 O ATOM 0 H GLU A 49 -5.358 -9.640 6.348 1.00 0.00 H new ATOM 0 HA GLU A 49 -8.044 -10.088 7.322 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -7.777 -12.288 6.349 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -7.214 -11.080 5.212 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -4.843 -11.497 6.236 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -5.543 -12.939 6.945 1.00 0.00 H new ATOM 803 N GLU A 50 -6.864 -12.421 8.712 1.00 0.00 N ATOM 804 CA GLU A 50 -6.587 -13.143 9.942 1.00 0.00 C ATOM 805 C GLU A 50 -5.131 -13.611 9.967 1.00 0.00 C ATOM 806 O GLU A 50 -4.596 -14.040 8.946 1.00 0.00 O ATOM 807 CB GLU A 50 -7.546 -14.323 10.113 1.00 0.00 C ATOM 808 CG GLU A 50 -9.002 -13.868 9.999 1.00 0.00 C ATOM 809 CD GLU A 50 -9.885 -14.595 11.016 1.00 0.00 C ATOM 810 OE1 GLU A 50 -10.400 -15.674 10.651 1.00 0.00 O ATOM 811 OE2 GLU A 50 -10.025 -14.055 12.134 1.00 0.00 O ATOM 0 H GLU A 50 -7.185 -13.004 7.939 1.00 0.00 H new ATOM 0 HA GLU A 50 -6.744 -12.465 10.781 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -7.337 -15.078 9.356 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -7.383 -14.791 11.084 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -9.064 -12.792 10.161 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -9.369 -14.060 8.991 1.00 0.00 H new ATOM 818 N GLY A 51 -4.531 -13.514 11.144 1.00 0.00 N ATOM 819 CA GLY A 51 -3.147 -13.922 11.315 1.00 0.00 C ATOM 820 C GLY A 51 -2.201 -12.730 11.163 1.00 0.00 C ATOM 821 O GLY A 51 -1.122 -12.859 10.587 1.00 0.00 O ATOM 0 H GLY A 51 -4.978 -13.159 11.989 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -3.016 -14.372 12.299 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -2.896 -14.686 10.579 1.00 0.00 H new ATOM 825 N ARG A 52 -2.640 -11.596 11.689 1.00 0.00 N ATOM 826 CA ARG A 52 -1.845 -10.381 11.619 1.00 0.00 C ATOM 827 C ARG A 52 -1.785 -9.706 12.990 1.00 0.00 C ATOM 828 O ARG A 52 -2.633 -9.955 13.846 1.00 0.00 O ATOM 829 CB ARG A 52 -2.428 -9.400 10.600 1.00 0.00 C ATOM 830 CG ARG A 52 -3.849 -9.804 10.200 1.00 0.00 C ATOM 831 CD ARG A 52 -4.789 -9.771 11.407 1.00 0.00 C ATOM 832 NE ARG A 52 -5.735 -8.640 11.280 1.00 0.00 N ATOM 833 CZ ARG A 52 -6.880 -8.538 11.969 1.00 0.00 C ATOM 834 NH1 ARG A 52 -7.227 -9.498 12.838 1.00 0.00 N ATOM 835 NH2 ARG A 52 -7.678 -7.477 11.789 1.00 0.00 N ATOM 0 H ARG A 52 -3.536 -11.493 12.166 1.00 0.00 H new ATOM 0 HA ARG A 52 -0.840 -10.660 11.304 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -2.437 -8.395 11.022 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -1.792 -9.369 9.715 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -4.219 -9.129 9.428 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -3.839 -10.806 9.770 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -5.339 -10.710 11.476 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -4.211 -9.671 12.326 1.00 0.00 H new ATOM 0 HE ARG A 52 -5.501 -7.892 10.628 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -6.620 -10.306 12.975 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -8.098 -9.420 13.362 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -7.414 -6.747 11.128 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -8.549 -7.399 12.313 1.00 0.00 H new ATOM 849 N THR A 53 -0.776 -8.865 13.156 1.00 0.00 N ATOM 850 CA THR A 53 -0.594 -8.152 14.409 1.00 0.00 C ATOM 851 C THR A 53 -0.118 -6.722 14.145 1.00 0.00 C ATOM 852 O THR A 53 0.316 -6.402 13.040 1.00 0.00 O ATOM 853 CB THR A 53 0.370 -8.962 15.279 1.00 0.00 C ATOM 854 OG1 THR A 53 1.402 -9.356 14.379 1.00 0.00 O ATOM 855 CG2 THR A 53 -0.238 -10.284 15.751 1.00 0.00 C ATOM 0 H THR A 53 -0.075 -8.661 12.444 1.00 0.00 H new ATOM 0 HA THR A 53 -1.536 -8.053 14.948 1.00 0.00 H new ATOM 0 HB THR A 53 0.664 -8.368 16.145 1.00 0.00 H new ATOM 0 HG1 THR A 53 2.072 -9.885 14.861 1.00 0.00 H new ATOM 0 HG21 THR A 53 0.487 -10.819 16.364 1.00 0.00 H new ATOM 0 HG22 THR A 53 -1.133 -10.083 16.340 1.00 0.00 H new ATOM 0 HG23 THR A 53 -0.501 -10.893 14.886 1.00 0.00 H new ATOM 863 N LEU A 54 -0.216 -5.899 15.179 1.00 0.00 N ATOM 864 CA LEU A 54 0.198 -4.511 15.073 1.00 0.00 C ATOM 865 C LEU A 54 1.672 -4.453 14.666 1.00 0.00 C ATOM 866 O LEU A 54 2.054 -3.650 13.815 1.00 0.00 O ATOM 867 CB LEU A 54 -0.112 -3.758 16.368 1.00 0.00 C ATOM 868 CG LEU A 54 -0.947 -2.485 16.221 1.00 0.00 C ATOM 869 CD1 LEU A 54 -0.133 -1.369 15.562 1.00 0.00 C ATOM 870 CD2 LEU A 54 -2.248 -2.767 15.468 1.00 0.00 C ATOM 0 H LEU A 54 -0.576 -6.168 16.095 1.00 0.00 H new ATOM 0 HA LEU A 54 -0.369 -4.003 14.293 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -0.635 -4.436 17.043 1.00 0.00 H new ATOM 0 HB3 LEU A 54 0.831 -3.496 16.847 1.00 0.00 H new ATOM 0 HG LEU A 54 -1.221 -2.138 17.218 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -0.750 -0.475 15.469 1.00 0.00 H new ATOM 0 HD12 LEU A 54 0.740 -1.145 16.175 1.00 0.00 H new ATOM 0 HD13 LEU A 54 0.191 -1.691 14.572 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -2.823 -1.845 15.377 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -2.017 -3.150 14.474 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -2.832 -3.507 16.015 1.00 0.00 H new ATOM 882 N LEU A 55 2.460 -5.314 15.292 1.00 0.00 N ATOM 883 CA LEU A 55 3.884 -5.371 15.006 1.00 0.00 C ATOM 884 C LEU A 55 4.089 -5.592 13.506 1.00 0.00 C ATOM 885 O LEU A 55 4.978 -4.993 12.902 1.00 0.00 O ATOM 886 CB LEU A 55 4.565 -6.425 15.882 1.00 0.00 C ATOM 887 CG LEU A 55 5.777 -5.948 16.684 1.00 0.00 C ATOM 888 CD1 LEU A 55 6.827 -5.317 15.767 1.00 0.00 C ATOM 889 CD2 LEU A 55 5.353 -5.000 17.807 1.00 0.00 C ATOM 0 H LEU A 55 2.140 -5.978 15.997 1.00 0.00 H new ATOM 0 HA LEU A 55 4.362 -4.424 15.258 1.00 0.00 H new ATOM 0 HB2 LEU A 55 3.827 -6.822 16.579 1.00 0.00 H new ATOM 0 HB3 LEU A 55 4.879 -7.252 15.244 1.00 0.00 H new ATOM 0 HG LEU A 55 6.239 -6.816 17.153 1.00 0.00 H new ATOM 0 HD11 LEU A 55 7.678 -4.986 16.362 1.00 0.00 H new ATOM 0 HD12 LEU A 55 7.160 -6.053 15.035 1.00 0.00 H new ATOM 0 HD13 LEU A 55 6.392 -4.462 15.250 1.00 0.00 H new ATOM 0 HD21 LEU A 55 6.234 -4.676 18.361 1.00 0.00 H new ATOM 0 HD22 LEU A 55 4.853 -4.131 17.380 1.00 0.00 H new ATOM 0 HD23 LEU A 55 4.670 -5.517 18.481 1.00 0.00 H new ATOM 901 N ASP A 56 3.253 -6.455 12.947 1.00 0.00 N ATOM 902 CA ASP A 56 3.332 -6.763 11.530 1.00 0.00 C ATOM 903 C ASP A 56 2.850 -5.556 10.722 1.00 0.00 C ATOM 904 O ASP A 56 3.407 -5.247 9.670 1.00 0.00 O ATOM 905 CB ASP A 56 2.441 -7.955 11.174 1.00 0.00 C ATOM 906 CG ASP A 56 3.149 -9.311 11.163 1.00 0.00 C ATOM 907 OD1 ASP A 56 3.861 -9.588 12.153 1.00 0.00 O ATOM 908 OD2 ASP A 56 2.963 -10.041 10.166 1.00 0.00 O ATOM 0 H ASP A 56 2.517 -6.951 13.451 1.00 0.00 H new ATOM 0 HA ASP A 56 4.369 -7.005 11.296 1.00 0.00 H new ATOM 0 HB2 ASP A 56 1.616 -7.998 11.886 1.00 0.00 H new ATOM 0 HB3 ASP A 56 2.004 -7.782 10.190 1.00 0.00 H new ATOM 913 N HIS A 57 1.821 -4.906 11.246 1.00 0.00 N ATOM 914 CA HIS A 57 1.258 -3.740 10.588 1.00 0.00 C ATOM 915 C HIS A 57 2.334 -2.661 10.447 1.00 0.00 C ATOM 916 O HIS A 57 2.549 -2.131 9.358 1.00 0.00 O ATOM 917 CB HIS A 57 0.015 -3.245 11.329 1.00 0.00 C ATOM 918 CG HIS A 57 -1.189 -4.143 11.176 1.00 0.00 C ATOM 919 ND1 HIS A 57 -2.477 -3.727 11.466 1.00 0.00 N ATOM 920 CD2 HIS A 57 -1.288 -5.438 10.759 1.00 0.00 C ATOM 921 CE1 HIS A 57 -3.305 -4.734 11.233 1.00 0.00 C ATOM 922 NE2 HIS A 57 -2.567 -5.794 10.795 1.00 0.00 N ATOM 0 H HIS A 57 1.363 -5.165 12.119 1.00 0.00 H new ATOM 0 HA HIS A 57 0.928 -4.008 9.584 1.00 0.00 H new ATOM 0 HB2 HIS A 57 0.251 -3.148 12.389 1.00 0.00 H new ATOM 0 HB3 HIS A 57 -0.239 -2.249 10.967 1.00 0.00 H new ATOM 0 HD1 HIS A 57 -2.743 -2.802 11.802 1.00 0.00 H new ATOM 0 HD2 HIS A 57 -0.466 -6.067 10.452 1.00 0.00 H new ATOM 0 HE1 HIS A 57 -4.377 -4.719 11.366 1.00 0.00 H new ATOM 930 N ALA A 58 2.981 -2.367 11.566 1.00 0.00 N ATOM 931 CA ALA A 58 4.029 -1.361 11.581 1.00 0.00 C ATOM 932 C ALA A 58 5.223 -1.861 10.764 1.00 0.00 C ATOM 933 O ALA A 58 5.837 -1.095 10.024 1.00 0.00 O ATOM 934 CB ALA A 58 4.407 -1.040 13.028 1.00 0.00 C ATOM 0 H ALA A 58 2.799 -2.808 12.468 1.00 0.00 H new ATOM 0 HA ALA A 58 3.680 -0.436 11.122 1.00 0.00 H new ATOM 0 HB1 ALA A 58 5.193 -0.285 13.040 1.00 0.00 H new ATOM 0 HB2 ALA A 58 3.532 -0.661 13.557 1.00 0.00 H new ATOM 0 HB3 ALA A 58 4.765 -1.945 13.520 1.00 0.00 H new ATOM 940 N ARG A 59 5.515 -3.143 10.927 1.00 0.00 N ATOM 941 CA ARG A 59 6.623 -3.754 10.213 1.00 0.00 C ATOM 942 C ARG A 59 6.369 -3.717 8.705 1.00 0.00 C ATOM 943 O ARG A 59 7.304 -3.573 7.918 1.00 0.00 O ATOM 944 CB ARG A 59 6.829 -5.205 10.653 1.00 0.00 C ATOM 945 CG ARG A 59 7.780 -5.286 11.849 1.00 0.00 C ATOM 946 CD ARG A 59 8.583 -6.588 11.823 1.00 0.00 C ATOM 947 NE ARG A 59 9.708 -6.508 12.782 1.00 0.00 N ATOM 948 CZ ARG A 59 10.830 -5.808 12.566 1.00 0.00 C ATOM 949 NH1 ARG A 59 10.985 -5.124 11.425 1.00 0.00 N ATOM 950 NH2 ARG A 59 11.798 -5.793 13.493 1.00 0.00 N ATOM 0 H ARG A 59 5.004 -3.775 11.543 1.00 0.00 H new ATOM 0 HA ARG A 59 7.522 -3.184 10.447 1.00 0.00 H new ATOM 0 HB2 ARG A 59 5.869 -5.649 10.917 1.00 0.00 H new ATOM 0 HB3 ARG A 59 7.232 -5.787 9.824 1.00 0.00 H new ATOM 0 HG2 ARG A 59 8.460 -4.435 11.836 1.00 0.00 H new ATOM 0 HG3 ARG A 59 7.210 -5.224 12.776 1.00 0.00 H new ATOM 0 HD2 ARG A 59 7.937 -7.428 12.077 1.00 0.00 H new ATOM 0 HD3 ARG A 59 8.963 -6.770 10.818 1.00 0.00 H new ATOM 0 HE ARG A 59 9.624 -7.017 13.662 1.00 0.00 H new ATOM 0 HH11 ARG A 59 10.249 -5.136 10.719 1.00 0.00 H new ATOM 0 HH12 ARG A 59 11.839 -4.591 11.262 1.00 0.00 H new ATOM 0 HH21 ARG A 59 11.680 -6.314 14.362 1.00 0.00 H new ATOM 0 HH22 ARG A 59 12.652 -5.260 13.330 1.00 0.00 H new ATOM 964 N LEU A 60 5.101 -3.849 8.347 1.00 0.00 N ATOM 965 CA LEU A 60 4.712 -3.832 6.948 1.00 0.00 C ATOM 966 C LEU A 60 5.068 -2.474 6.340 1.00 0.00 C ATOM 967 O LEU A 60 5.497 -2.397 5.190 1.00 0.00 O ATOM 968 CB LEU A 60 3.236 -4.205 6.797 1.00 0.00 C ATOM 969 CG LEU A 60 2.722 -4.343 5.362 1.00 0.00 C ATOM 970 CD1 LEU A 60 3.800 -4.929 4.448 1.00 0.00 C ATOM 971 CD2 LEU A 60 1.428 -5.159 5.319 1.00 0.00 C ATOM 0 H LEU A 60 4.329 -3.968 9.003 1.00 0.00 H new ATOM 0 HA LEU A 60 5.266 -4.587 6.390 1.00 0.00 H new ATOM 0 HB2 LEU A 60 3.065 -5.149 7.315 1.00 0.00 H new ATOM 0 HB3 LEU A 60 2.637 -3.449 7.305 1.00 0.00 H new ATOM 0 HG LEU A 60 2.487 -3.347 4.986 1.00 0.00 H new ATOM 0 HD11 LEU A 60 3.409 -5.017 3.434 1.00 0.00 H new ATOM 0 HD12 LEU A 60 4.671 -4.273 4.446 1.00 0.00 H new ATOM 0 HD13 LEU A 60 4.089 -5.915 4.812 1.00 0.00 H new ATOM 0 HD21 LEU A 60 1.084 -5.242 4.288 1.00 0.00 H new ATOM 0 HD22 LEU A 60 1.612 -6.155 5.721 1.00 0.00 H new ATOM 0 HD23 LEU A 60 0.664 -4.662 5.917 1.00 0.00 H new ATOM 983 N LYS A 61 4.878 -1.435 7.140 1.00 0.00 N ATOM 984 CA LYS A 61 5.174 -0.084 6.696 1.00 0.00 C ATOM 985 C LYS A 61 6.676 0.047 6.440 1.00 0.00 C ATOM 986 O LYS A 61 7.091 0.479 5.365 1.00 0.00 O ATOM 987 CB LYS A 61 4.629 0.940 7.694 1.00 0.00 C ATOM 988 CG LYS A 61 5.620 2.089 7.897 1.00 0.00 C ATOM 989 CD LYS A 61 5.770 2.915 6.618 1.00 0.00 C ATOM 990 CE LYS A 61 6.221 4.342 6.937 1.00 0.00 C ATOM 991 NZ LYS A 61 7.468 4.326 7.733 1.00 0.00 N ATOM 0 H LYS A 61 4.522 -1.502 8.094 1.00 0.00 H new ATOM 0 HA LYS A 61 4.670 0.125 5.752 1.00 0.00 H new ATOM 0 HB2 LYS A 61 3.679 1.334 7.334 1.00 0.00 H new ATOM 0 HB3 LYS A 61 4.431 0.453 8.649 1.00 0.00 H new ATOM 0 HG2 LYS A 61 5.278 2.730 8.710 1.00 0.00 H new ATOM 0 HG3 LYS A 61 6.590 1.689 8.192 1.00 0.00 H new ATOM 0 HD2 LYS A 61 6.495 2.440 5.957 1.00 0.00 H new ATOM 0 HD3 LYS A 61 4.820 2.941 6.084 1.00 0.00 H new ATOM 0 HE2 LYS A 61 6.381 4.895 6.011 1.00 0.00 H new ATOM 0 HE3 LYS A 61 5.438 4.863 7.488 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 7.308 4.812 8.639 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 7.752 3.342 7.913 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 8.222 4.813 7.207 1.00 0.00 H new ATOM 1005 N LEU A 62 7.451 -0.335 7.444 1.00 0.00 N ATOM 1006 CA LEU A 62 8.899 -0.267 7.341 1.00 0.00 C ATOM 1007 C LEU A 62 9.377 -1.250 6.271 1.00 0.00 C ATOM 1008 O LEU A 62 10.273 -0.935 5.489 1.00 0.00 O ATOM 1009 CB LEU A 62 9.545 -0.486 8.711 1.00 0.00 C ATOM 1010 CG LEU A 62 10.339 -1.784 8.877 1.00 0.00 C ATOM 1011 CD1 LEU A 62 11.735 -1.655 8.265 1.00 0.00 C ATOM 1012 CD2 LEU A 62 10.394 -2.207 10.346 1.00 0.00 C ATOM 0 H LEU A 62 7.103 -0.693 8.334 1.00 0.00 H new ATOM 0 HA LEU A 62 9.212 0.727 7.023 1.00 0.00 H new ATOM 0 HB2 LEU A 62 10.211 0.353 8.915 1.00 0.00 H new ATOM 0 HB3 LEU A 62 8.761 -0.463 9.468 1.00 0.00 H new ATOM 0 HG LEU A 62 9.821 -2.574 8.333 1.00 0.00 H new ATOM 0 HD11 LEU A 62 12.278 -2.591 8.397 1.00 0.00 H new ATOM 0 HD12 LEU A 62 11.647 -1.433 7.201 1.00 0.00 H new ATOM 0 HD13 LEU A 62 12.276 -0.849 8.760 1.00 0.00 H new ATOM 0 HD21 LEU A 62 10.964 -3.132 10.437 1.00 0.00 H new ATOM 0 HD22 LEU A 62 10.876 -1.425 10.932 1.00 0.00 H new ATOM 0 HD23 LEU A 62 9.382 -2.366 10.717 1.00 0.00 H new ATOM 1024 N ALA A 63 8.757 -2.421 6.270 1.00 0.00 N ATOM 1025 CA ALA A 63 9.108 -3.453 5.309 1.00 0.00 C ATOM 1026 C ALA A 63 8.888 -2.919 3.892 1.00 0.00 C ATOM 1027 O ALA A 63 9.659 -3.224 2.983 1.00 0.00 O ATOM 1028 CB ALA A 63 8.289 -4.714 5.591 1.00 0.00 C ATOM 0 H ALA A 63 8.014 -2.678 6.919 1.00 0.00 H new ATOM 0 HA ALA A 63 10.160 -3.721 5.401 1.00 0.00 H new ATOM 0 HB1 ALA A 63 8.553 -5.488 4.870 1.00 0.00 H new ATOM 0 HB2 ALA A 63 8.503 -5.069 6.599 1.00 0.00 H new ATOM 0 HB3 ALA A 63 7.227 -4.485 5.505 1.00 0.00 H new ATOM 1034 N LEU A 64 7.832 -2.132 3.748 1.00 0.00 N ATOM 1035 CA LEU A 64 7.500 -1.554 2.457 1.00 0.00 C ATOM 1036 C LEU A 64 8.539 -0.490 2.097 1.00 0.00 C ATOM 1037 O LEU A 64 8.863 -0.305 0.925 1.00 0.00 O ATOM 1038 CB LEU A 64 6.061 -1.033 2.457 1.00 0.00 C ATOM 1039 CG LEU A 64 4.964 -2.095 2.362 1.00 0.00 C ATOM 1040 CD1 LEU A 64 3.985 -1.773 1.231 1.00 0.00 C ATOM 1041 CD2 LEU A 64 5.565 -3.494 2.218 1.00 0.00 C ATOM 0 H LEU A 64 7.195 -1.881 4.504 1.00 0.00 H new ATOM 0 HA LEU A 64 7.539 -2.315 1.678 1.00 0.00 H new ATOM 0 HB2 LEU A 64 5.904 -0.457 3.369 1.00 0.00 H new ATOM 0 HB3 LEU A 64 5.945 -0.343 1.621 1.00 0.00 H new ATOM 0 HG LEU A 64 4.397 -2.083 3.293 1.00 0.00 H new ATOM 0 HD11 LEU A 64 3.215 -2.544 1.185 1.00 0.00 H new ATOM 0 HD12 LEU A 64 3.519 -0.805 1.418 1.00 0.00 H new ATOM 0 HD13 LEU A 64 4.522 -1.740 0.283 1.00 0.00 H new ATOM 0 HD21 LEU A 64 4.763 -4.229 2.153 1.00 0.00 H new ATOM 0 HD22 LEU A 64 6.172 -3.538 1.314 1.00 0.00 H new ATOM 0 HD23 LEU A 64 6.189 -3.713 3.085 1.00 0.00 H new ATOM 1053 N GLU A 65 9.032 0.182 3.128 1.00 0.00 N ATOM 1054 CA GLU A 65 10.027 1.222 2.935 1.00 0.00 C ATOM 1055 C GLU A 65 11.345 0.614 2.450 1.00 0.00 C ATOM 1056 O GLU A 65 12.083 1.244 1.695 1.00 0.00 O ATOM 1057 CB GLU A 65 10.235 2.027 4.220 1.00 0.00 C ATOM 1058 CG GLU A 65 9.203 3.150 4.337 1.00 0.00 C ATOM 1059 CD GLU A 65 9.707 4.265 5.255 1.00 0.00 C ATOM 1060 OE1 GLU A 65 10.934 4.294 5.491 1.00 0.00 O ATOM 1061 OE2 GLU A 65 8.854 5.064 5.699 1.00 0.00 O ATOM 0 H GLU A 65 8.760 0.026 4.099 1.00 0.00 H new ATOM 0 HA GLU A 65 9.663 1.908 2.170 1.00 0.00 H new ATOM 0 HB2 GLU A 65 10.158 1.366 5.084 1.00 0.00 H new ATOM 0 HB3 GLU A 65 11.240 2.449 4.230 1.00 0.00 H new ATOM 0 HG2 GLU A 65 8.989 3.557 3.349 1.00 0.00 H new ATOM 0 HG3 GLU A 65 8.267 2.749 4.726 1.00 0.00 H new ATOM 1068 N GLY A 66 11.599 -0.605 2.905 1.00 0.00 N ATOM 1069 CA GLY A 66 12.815 -1.306 2.527 1.00 0.00 C ATOM 1070 C GLY A 66 12.752 -1.765 1.069 1.00 0.00 C ATOM 1071 O GLY A 66 13.669 -1.503 0.292 1.00 0.00 O ATOM 0 H GLY A 66 10.984 -1.125 3.531 1.00 0.00 H new ATOM 0 HA2 GLY A 66 13.675 -0.652 2.669 1.00 0.00 H new ATOM 0 HA3 GLY A 66 12.959 -2.168 3.178 1.00 0.00 H new ATOM 1075 N LEU A 67 11.661 -2.441 0.741 1.00 0.00 N ATOM 1076 CA LEU A 67 11.467 -2.939 -0.610 1.00 0.00 C ATOM 1077 C LEU A 67 11.312 -1.756 -1.567 1.00 0.00 C ATOM 1078 O LEU A 67 11.915 -1.738 -2.639 1.00 0.00 O ATOM 1079 CB LEU A 67 10.297 -3.924 -0.655 1.00 0.00 C ATOM 1080 CG LEU A 67 10.657 -5.402 -0.492 1.00 0.00 C ATOM 1081 CD1 LEU A 67 9.503 -6.181 0.143 1.00 0.00 C ATOM 1082 CD2 LEU A 67 11.095 -6.010 -1.825 1.00 0.00 C ATOM 0 H LEU A 67 10.902 -2.656 1.388 1.00 0.00 H new ATOM 0 HA LEU A 67 12.341 -3.502 -0.938 1.00 0.00 H new ATOM 0 HB2 LEU A 67 9.590 -3.654 0.130 1.00 0.00 H new ATOM 0 HB3 LEU A 67 9.780 -3.799 -1.606 1.00 0.00 H new ATOM 0 HG LEU A 67 11.506 -5.474 0.188 1.00 0.00 H new ATOM 0 HD11 LEU A 67 9.785 -7.229 0.247 1.00 0.00 H new ATOM 0 HD12 LEU A 67 9.281 -5.765 1.126 1.00 0.00 H new ATOM 0 HD13 LEU A 67 8.620 -6.105 -0.491 1.00 0.00 H new ATOM 0 HD21 LEU A 67 11.345 -7.061 -1.681 1.00 0.00 H new ATOM 0 HD22 LEU A 67 10.283 -5.926 -2.547 1.00 0.00 H new ATOM 0 HD23 LEU A 67 11.969 -5.477 -2.198 1.00 0.00 H new ATOM 1094 N LEU A 68 10.501 -0.797 -1.146 1.00 0.00 N ATOM 1095 CA LEU A 68 10.259 0.387 -1.953 1.00 0.00 C ATOM 1096 C LEU A 68 11.391 1.391 -1.730 1.00 0.00 C ATOM 1097 O LEU A 68 11.437 2.435 -2.378 1.00 0.00 O ATOM 1098 CB LEU A 68 8.868 0.955 -1.667 1.00 0.00 C ATOM 1099 CG LEU A 68 7.687 0.042 -2.003 1.00 0.00 C ATOM 1100 CD1 LEU A 68 8.047 -1.427 -1.771 1.00 0.00 C ATOM 1101 CD2 LEU A 68 6.435 0.455 -1.227 1.00 0.00 C ATOM 0 H LEU A 68 10.003 -0.816 -0.256 1.00 0.00 H new ATOM 0 HA LEU A 68 10.262 0.133 -3.013 1.00 0.00 H new ATOM 0 HB2 LEU A 68 8.813 1.212 -0.609 1.00 0.00 H new ATOM 0 HB3 LEU A 68 8.754 1.883 -2.227 1.00 0.00 H new ATOM 0 HG LEU A 68 7.459 0.155 -3.063 1.00 0.00 H new ATOM 0 HD11 LEU A 68 7.191 -2.055 -2.017 1.00 0.00 H new ATOM 0 HD12 LEU A 68 8.891 -1.699 -2.405 1.00 0.00 H new ATOM 0 HD13 LEU A 68 8.316 -1.575 -0.725 1.00 0.00 H new ATOM 0 HD21 LEU A 68 5.611 -0.210 -1.485 1.00 0.00 H new ATOM 0 HD22 LEU A 68 6.632 0.390 -0.157 1.00 0.00 H new ATOM 0 HD23 LEU A 68 6.168 1.480 -1.486 1.00 0.00 H new ATOM 1113 N GLY A 69 12.278 1.039 -0.810 1.00 0.00 N ATOM 1114 CA GLY A 69 13.408 1.896 -0.493 1.00 0.00 C ATOM 1115 C GLY A 69 12.992 3.369 -0.481 1.00 0.00 C ATOM 1116 O GLY A 69 13.808 4.250 -0.745 1.00 0.00 O ATOM 0 H GLY A 69 12.237 0.172 -0.274 1.00 0.00 H new ATOM 0 HA2 GLY A 69 13.816 1.621 0.480 1.00 0.00 H new ATOM 0 HA3 GLY A 69 14.201 1.744 -1.225 1.00 0.00 H new ATOM 1120 N VAL A 70 11.723 3.590 -0.172 1.00 0.00 N ATOM 1121 CA VAL A 70 11.189 4.940 -0.122 1.00 0.00 C ATOM 1122 C VAL A 70 9.959 4.964 0.788 1.00 0.00 C ATOM 1123 O VAL A 70 9.294 3.945 0.966 1.00 0.00 O ATOM 1124 CB VAL A 70 10.894 5.439 -1.538 1.00 0.00 C ATOM 1125 CG1 VAL A 70 12.150 5.386 -2.410 1.00 0.00 C ATOM 1126 CG2 VAL A 70 9.752 4.644 -2.173 1.00 0.00 C ATOM 0 H VAL A 70 11.049 2.856 0.046 1.00 0.00 H new ATOM 0 HA VAL A 70 11.922 5.625 0.304 1.00 0.00 H new ATOM 0 HB VAL A 70 10.578 6.480 -1.467 1.00 0.00 H new ATOM 0 HG11 VAL A 70 11.913 5.746 -3.411 1.00 0.00 H new ATOM 0 HG12 VAL A 70 12.924 6.016 -1.972 1.00 0.00 H new ATOM 0 HG13 VAL A 70 12.509 4.358 -2.469 1.00 0.00 H new ATOM 0 HG21 VAL A 70 9.563 5.019 -3.179 1.00 0.00 H new ATOM 0 HG22 VAL A 70 10.027 3.590 -2.224 1.00 0.00 H new ATOM 0 HG23 VAL A 70 8.851 4.755 -1.569 1.00 0.00 H new ATOM 1136 N ARG A 71 9.694 6.139 1.340 1.00 0.00 N ATOM 1137 CA ARG A 71 8.556 6.309 2.228 1.00 0.00 C ATOM 1138 C ARG A 71 7.318 5.629 1.640 1.00 0.00 C ATOM 1139 O ARG A 71 7.050 5.745 0.445 1.00 0.00 O ATOM 1140 CB ARG A 71 8.254 7.791 2.458 1.00 0.00 C ATOM 1141 CG ARG A 71 9.429 8.490 3.144 1.00 0.00 C ATOM 1142 CD ARG A 71 9.149 9.983 3.325 1.00 0.00 C ATOM 1143 NE ARG A 71 8.781 10.262 4.731 1.00 0.00 N ATOM 1144 CZ ARG A 71 8.513 11.485 5.210 1.00 0.00 C ATOM 1145 NH1 ARG A 71 8.570 12.549 4.398 1.00 0.00 N ATOM 1146 NH2 ARG A 71 8.188 11.643 6.500 1.00 0.00 N ATOM 0 H ARG A 71 10.248 6.982 1.190 1.00 0.00 H new ATOM 0 HA ARG A 71 8.809 5.849 3.183 1.00 0.00 H new ATOM 0 HB2 ARG A 71 8.045 8.275 1.504 1.00 0.00 H new ATOM 0 HB3 ARG A 71 7.358 7.892 3.070 1.00 0.00 H new ATOM 0 HG2 ARG A 71 9.613 8.031 4.115 1.00 0.00 H new ATOM 0 HG3 ARG A 71 10.333 8.355 2.551 1.00 0.00 H new ATOM 0 HD2 ARG A 71 10.030 10.563 3.049 1.00 0.00 H new ATOM 0 HD3 ARG A 71 8.342 10.293 2.661 1.00 0.00 H new ATOM 0 HE ARG A 71 8.728 9.474 5.376 1.00 0.00 H new ATOM 0 HH11 ARG A 71 8.817 12.428 3.416 1.00 0.00 H new ATOM 0 HH12 ARG A 71 8.366 13.480 4.762 1.00 0.00 H new ATOM 0 HH21 ARG A 71 8.144 10.833 7.118 1.00 0.00 H new ATOM 0 HH22 ARG A 71 7.984 12.574 6.864 1.00 0.00 H new ATOM 1160 N VAL A 72 6.597 4.933 2.507 1.00 0.00 N ATOM 1161 CA VAL A 72 5.393 4.234 2.088 1.00 0.00 C ATOM 1162 C VAL A 72 4.267 4.526 3.082 1.00 0.00 C ATOM 1163 O VAL A 72 4.508 4.637 4.283 1.00 0.00 O ATOM 1164 CB VAL A 72 5.683 2.740 1.935 1.00 0.00 C ATOM 1165 CG1 VAL A 72 4.558 2.038 1.172 1.00 0.00 C ATOM 1166 CG2 VAL A 72 7.034 2.510 1.253 1.00 0.00 C ATOM 0 H VAL A 72 6.823 4.838 3.497 1.00 0.00 H new ATOM 0 HA VAL A 72 5.065 4.590 1.111 1.00 0.00 H new ATOM 0 HB VAL A 72 5.733 2.305 2.933 1.00 0.00 H new ATOM 0 HG11 VAL A 72 4.789 0.977 1.077 1.00 0.00 H new ATOM 0 HG12 VAL A 72 3.620 2.158 1.715 1.00 0.00 H new ATOM 0 HG13 VAL A 72 4.462 2.478 0.180 1.00 0.00 H new ATOM 0 HG21 VAL A 72 7.215 1.440 1.157 1.00 0.00 H new ATOM 0 HG22 VAL A 72 7.024 2.967 0.263 1.00 0.00 H new ATOM 0 HG23 VAL A 72 7.825 2.960 1.853 1.00 0.00 H new ATOM 1176 N ASP A 73 3.062 4.642 2.545 1.00 0.00 N ATOM 1177 CA ASP A 73 1.898 4.918 3.369 1.00 0.00 C ATOM 1178 C ASP A 73 0.889 3.779 3.218 1.00 0.00 C ATOM 1179 O ASP A 73 0.279 3.621 2.161 1.00 0.00 O ATOM 1180 CB ASP A 73 1.214 6.217 2.938 1.00 0.00 C ATOM 1181 CG ASP A 73 2.163 7.333 2.499 1.00 0.00 C ATOM 1182 OD1 ASP A 73 3.138 7.003 1.790 1.00 0.00 O ATOM 1183 OD2 ASP A 73 1.892 8.492 2.882 1.00 0.00 O ATOM 0 H ASP A 73 2.866 4.550 1.548 1.00 0.00 H new ATOM 0 HA ASP A 73 2.231 5.012 4.403 1.00 0.00 H new ATOM 0 HB2 ASP A 73 0.533 5.996 2.116 1.00 0.00 H new ATOM 0 HB3 ASP A 73 0.607 6.582 3.766 1.00 0.00 H new ATOM 1188 N ILE A 74 0.743 3.014 4.290 1.00 0.00 N ATOM 1189 CA ILE A 74 -0.183 1.894 4.289 1.00 0.00 C ATOM 1190 C ILE A 74 -1.425 2.264 5.101 1.00 0.00 C ATOM 1191 O ILE A 74 -1.331 2.982 6.095 1.00 0.00 O ATOM 1192 CB ILE A 74 0.515 0.622 4.778 1.00 0.00 C ATOM 1193 CG1 ILE A 74 1.796 0.360 3.983 1.00 0.00 C ATOM 1194 CG2 ILE A 74 -0.438 -0.574 4.741 1.00 0.00 C ATOM 1195 CD1 ILE A 74 2.370 -1.020 4.309 1.00 0.00 C ATOM 0 H ILE A 74 1.250 3.148 5.165 1.00 0.00 H new ATOM 0 HA ILE A 74 -0.518 1.677 3.275 1.00 0.00 H new ATOM 0 HB ILE A 74 0.806 0.769 5.818 1.00 0.00 H new ATOM 0 HG12 ILE A 74 1.586 0.428 2.916 1.00 0.00 H new ATOM 0 HG13 ILE A 74 2.534 1.128 4.212 1.00 0.00 H new ATOM 0 HG21 ILE A 74 0.082 -1.465 5.093 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -1.295 -0.376 5.385 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -0.781 -0.734 3.719 1.00 0.00 H new ATOM 0 HD11 ILE A 74 3.280 -1.181 3.731 1.00 0.00 H new ATOM 0 HD12 ILE A 74 2.601 -1.076 5.373 1.00 0.00 H new ATOM 0 HD13 ILE A 74 1.638 -1.787 4.056 1.00 0.00 H new ATOM 1207 N VAL A 75 -2.562 1.757 4.648 1.00 0.00 N ATOM 1208 CA VAL A 75 -3.822 2.025 5.320 1.00 0.00 C ATOM 1209 C VAL A 75 -4.613 0.722 5.451 1.00 0.00 C ATOM 1210 O VAL A 75 -4.568 -0.128 4.563 1.00 0.00 O ATOM 1211 CB VAL A 75 -4.591 3.118 4.574 1.00 0.00 C ATOM 1212 CG1 VAL A 75 -6.068 3.119 4.973 1.00 0.00 C ATOM 1213 CG2 VAL A 75 -3.958 4.491 4.809 1.00 0.00 C ATOM 0 H VAL A 75 -2.637 1.162 3.823 1.00 0.00 H new ATOM 0 HA VAL A 75 -3.644 2.400 6.328 1.00 0.00 H new ATOM 0 HB VAL A 75 -4.533 2.901 3.508 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -6.591 3.905 4.429 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -6.511 2.153 4.731 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -6.155 3.300 6.044 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -4.523 5.250 4.268 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -3.971 4.720 5.875 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -2.928 4.483 4.452 1.00 0.00 H new ATOM 1223 N SER A 76 -5.319 0.605 6.566 1.00 0.00 N ATOM 1224 CA SER A 76 -6.118 -0.580 6.825 1.00 0.00 C ATOM 1225 C SER A 76 -7.601 -0.269 6.610 1.00 0.00 C ATOM 1226 O SER A 76 -8.155 0.613 7.264 1.00 0.00 O ATOM 1227 CB SER A 76 -5.886 -1.102 8.245 1.00 0.00 C ATOM 1228 OG SER A 76 -6.142 -0.104 9.229 1.00 0.00 O ATOM 0 H SER A 76 -5.354 1.312 7.301 1.00 0.00 H new ATOM 0 HA SER A 76 -5.811 -1.358 6.126 1.00 0.00 H new ATOM 0 HB2 SER A 76 -6.531 -1.962 8.425 1.00 0.00 H new ATOM 0 HB3 SER A 76 -4.857 -1.449 8.340 1.00 0.00 H new ATOM 0 HG SER A 76 -6.775 0.553 8.872 1.00 0.00 H new ATOM 1234 N GLU A 77 -8.201 -1.010 5.690 1.00 0.00 N ATOM 1235 CA GLU A 77 -9.608 -0.825 5.381 1.00 0.00 C ATOM 1236 C GLU A 77 -10.410 -0.609 6.666 1.00 0.00 C ATOM 1237 O GLU A 77 -11.259 0.278 6.730 1.00 0.00 O ATOM 1238 CB GLU A 77 -10.156 -2.011 4.584 1.00 0.00 C ATOM 1239 CG GLU A 77 -9.970 -1.794 3.081 1.00 0.00 C ATOM 1240 CD GLU A 77 -10.956 -2.647 2.279 1.00 0.00 C ATOM 1241 OE1 GLU A 77 -11.418 -3.662 2.843 1.00 0.00 O ATOM 1242 OE2 GLU A 77 -11.225 -2.263 1.120 1.00 0.00 O ATOM 0 H GLU A 77 -7.738 -1.740 5.149 1.00 0.00 H new ATOM 0 HA GLU A 77 -9.709 0.065 4.759 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -9.647 -2.925 4.889 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -11.214 -2.146 4.807 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -10.115 -0.741 2.841 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -8.949 -2.048 2.797 1.00 0.00 H new ATOM 1249 N ARG A 78 -10.113 -1.437 7.657 1.00 0.00 N ATOM 1250 CA ARG A 78 -10.796 -1.349 8.936 1.00 0.00 C ATOM 1251 C ARG A 78 -10.742 0.085 9.469 1.00 0.00 C ATOM 1252 O ARG A 78 -11.754 0.625 9.911 1.00 0.00 O ATOM 1253 CB ARG A 78 -10.166 -2.291 9.963 1.00 0.00 C ATOM 1254 CG ARG A 78 -11.236 -3.116 10.680 1.00 0.00 C ATOM 1255 CD ARG A 78 -11.400 -2.660 12.131 1.00 0.00 C ATOM 1256 NE ARG A 78 -12.776 -2.163 12.353 1.00 0.00 N ATOM 1257 CZ ARG A 78 -13.819 -2.949 12.657 1.00 0.00 C ATOM 1258 NH1 ARG A 78 -13.647 -4.272 12.778 1.00 0.00 N ATOM 1259 NH2 ARG A 78 -15.032 -2.411 12.842 1.00 0.00 N ATOM 0 H ARG A 78 -9.408 -2.172 7.600 1.00 0.00 H new ATOM 0 HA ARG A 78 -11.834 -1.643 8.779 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -9.461 -2.957 9.466 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -9.599 -1.713 10.692 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -12.187 -3.020 10.155 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -10.964 -4.171 10.655 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -11.190 -3.489 12.807 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -10.680 -1.874 12.357 1.00 0.00 H new ATOM 0 HE ARG A 78 -12.941 -1.160 12.270 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -12.723 -4.681 12.639 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -14.440 -4.870 13.009 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -15.162 -1.403 12.752 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -15.825 -3.009 13.073 1.00 0.00 H new ATOM 1273 N GLY A 79 -9.549 0.660 9.409 1.00 0.00 N ATOM 1274 CA GLY A 79 -9.350 2.020 9.880 1.00 0.00 C ATOM 1275 C GLY A 79 -10.020 3.028 8.944 1.00 0.00 C ATOM 1276 O GLY A 79 -10.509 4.065 9.390 1.00 0.00 O ATOM 0 H GLY A 79 -8.711 0.209 9.042 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -9.759 2.124 10.885 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -8.283 2.233 9.946 1.00 0.00 H new ATOM 1280 N LEU A 80 -10.022 2.688 7.664 1.00 0.00 N ATOM 1281 CA LEU A 80 -10.624 3.550 6.661 1.00 0.00 C ATOM 1282 C LEU A 80 -12.084 3.816 7.034 1.00 0.00 C ATOM 1283 O LEU A 80 -12.607 3.218 7.974 1.00 0.00 O ATOM 1284 CB LEU A 80 -10.445 2.953 5.264 1.00 0.00 C ATOM 1285 CG LEU A 80 -9.404 3.634 4.372 1.00 0.00 C ATOM 1286 CD1 LEU A 80 -9.494 3.120 2.934 1.00 0.00 C ATOM 1287 CD2 LEU A 80 -9.531 5.157 4.446 1.00 0.00 C ATOM 0 H LEU A 80 -9.616 1.827 7.298 1.00 0.00 H new ATOM 0 HA LEU A 80 -10.120 4.516 6.636 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -10.172 1.903 5.371 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -11.407 2.981 4.752 1.00 0.00 H new ATOM 0 HG LEU A 80 -8.413 3.375 4.745 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -8.744 3.620 2.321 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -9.316 2.045 2.920 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -10.486 3.329 2.534 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -8.780 5.616 3.803 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -10.525 5.456 4.113 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -9.378 5.485 5.474 1.00 0.00 H new ATOM 1299 N ALA A 81 -12.701 4.713 6.279 1.00 0.00 N ATOM 1300 CA ALA A 81 -14.090 5.065 6.518 1.00 0.00 C ATOM 1301 C ALA A 81 -14.963 4.453 5.421 1.00 0.00 C ATOM 1302 O ALA A 81 -14.449 3.929 4.434 1.00 0.00 O ATOM 1303 CB ALA A 81 -14.225 6.587 6.590 1.00 0.00 C ATOM 0 H ALA A 81 -12.264 5.207 5.501 1.00 0.00 H new ATOM 0 HA ALA A 81 -14.430 4.662 7.472 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -15.267 6.852 6.769 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -13.608 6.969 7.404 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -13.896 7.026 5.648 1.00 0.00 H new ATOM 1309 N PRO A 82 -16.303 4.544 5.635 1.00 0.00 N ATOM 1310 CA PRO A 82 -17.252 4.006 4.675 1.00 0.00 C ATOM 1311 C PRO A 82 -17.354 4.905 3.441 1.00 0.00 C ATOM 1312 O PRO A 82 -17.355 4.417 2.312 1.00 0.00 O ATOM 1313 CB PRO A 82 -18.562 3.894 5.438 1.00 0.00 C ATOM 1314 CG PRO A 82 -18.418 4.802 6.649 1.00 0.00 C ATOM 1315 CD PRO A 82 -16.947 5.159 6.792 1.00 0.00 C ATOM 0 HA PRO A 82 -16.949 3.035 4.284 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -19.403 4.202 4.817 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -18.750 2.864 5.742 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -19.019 5.703 6.524 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -18.778 4.300 7.547 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -16.800 6.239 6.799 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -16.535 4.775 7.725 1.00 0.00 H new ATOM 1323 N ARG A 83 -17.437 6.202 3.699 1.00 0.00 N ATOM 1324 CA ARG A 83 -17.539 7.173 2.623 1.00 0.00 C ATOM 1325 C ARG A 83 -16.162 7.429 2.007 1.00 0.00 C ATOM 1326 O ARG A 83 -16.061 7.833 0.850 1.00 0.00 O ATOM 1327 CB ARG A 83 -18.118 8.496 3.128 1.00 0.00 C ATOM 1328 CG ARG A 83 -17.118 9.224 4.029 1.00 0.00 C ATOM 1329 CD ARG A 83 -17.800 9.746 5.295 1.00 0.00 C ATOM 1330 NE ARG A 83 -16.792 10.327 6.210 1.00 0.00 N ATOM 1331 CZ ARG A 83 -17.082 10.873 7.399 1.00 0.00 C ATOM 1332 NH1 ARG A 83 -18.352 10.916 7.824 1.00 0.00 N ATOM 1333 NH2 ARG A 83 -16.103 11.376 8.162 1.00 0.00 N ATOM 0 H ARG A 83 -17.436 6.603 4.637 1.00 0.00 H new ATOM 0 HA ARG A 83 -18.208 6.762 1.867 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -18.378 9.130 2.281 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -19.039 8.307 3.679 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -16.308 8.547 4.301 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -16.670 10.055 3.484 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -18.543 10.499 5.033 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -18.331 8.935 5.793 1.00 0.00 H new ATOM 0 HE ARG A 83 -15.815 10.311 5.917 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -19.098 10.533 7.243 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -18.573 11.331 8.729 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -15.136 11.344 7.838 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -16.324 11.792 9.067 1.00 0.00 H new ATOM 1347 N LEU A 84 -15.135 7.183 2.808 1.00 0.00 N ATOM 1348 CA LEU A 84 -13.769 7.382 2.356 1.00 0.00 C ATOM 1349 C LEU A 84 -13.307 6.146 1.582 1.00 0.00 C ATOM 1350 O LEU A 84 -12.777 6.263 0.478 1.00 0.00 O ATOM 1351 CB LEU A 84 -12.862 7.744 3.534 1.00 0.00 C ATOM 1352 CG LEU A 84 -12.421 9.207 3.617 1.00 0.00 C ATOM 1353 CD1 LEU A 84 -13.431 10.040 4.409 1.00 0.00 C ATOM 1354 CD2 LEU A 84 -11.008 9.322 4.190 1.00 0.00 C ATOM 0 H LEU A 84 -15.222 6.848 3.767 1.00 0.00 H new ATOM 0 HA LEU A 84 -13.715 8.227 1.670 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -13.381 7.489 4.458 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -11.970 7.119 3.486 1.00 0.00 H new ATOM 0 HG LEU A 84 -12.392 9.613 2.606 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -13.094 11.076 4.453 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -14.403 9.996 3.919 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -13.516 9.643 5.421 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -10.719 10.372 4.238 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -10.986 8.893 5.192 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -10.310 8.783 3.549 1.00 0.00 H new ATOM 1366 N ARG A 85 -13.525 4.990 2.191 1.00 0.00 N ATOM 1367 CA ARG A 85 -13.138 3.733 1.573 1.00 0.00 C ATOM 1368 C ARG A 85 -13.739 3.625 0.170 1.00 0.00 C ATOM 1369 O ARG A 85 -13.030 3.331 -0.791 1.00 0.00 O ATOM 1370 CB ARG A 85 -13.601 2.541 2.412 1.00 0.00 C ATOM 1371 CG ARG A 85 -13.258 1.219 1.723 1.00 0.00 C ATOM 1372 CD ARG A 85 -14.247 0.121 2.119 1.00 0.00 C ATOM 1373 NE ARG A 85 -13.980 -0.326 3.504 1.00 0.00 N ATOM 1374 CZ ARG A 85 -14.639 -1.321 4.113 1.00 0.00 C ATOM 1375 NH1 ARG A 85 -15.608 -1.979 3.462 1.00 0.00 N ATOM 1376 NH2 ARG A 85 -14.329 -1.658 5.372 1.00 0.00 N ATOM 0 H ARG A 85 -13.965 4.897 3.107 1.00 0.00 H new ATOM 0 HA ARG A 85 -12.050 3.716 1.509 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -13.128 2.577 3.393 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -14.677 2.602 2.574 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -13.273 1.354 0.641 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -12.246 0.916 1.992 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -15.268 0.494 2.039 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -14.161 -0.722 1.433 1.00 0.00 H new ATOM 0 HE ARG A 85 -13.248 0.154 4.028 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -15.844 -1.722 2.503 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -16.110 -2.737 3.925 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -13.591 -1.157 5.867 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -14.831 -2.415 5.835 1.00 0.00 H new ATOM 1390 N GLU A 86 -15.039 3.868 0.097 1.00 0.00 N ATOM 1391 CA GLU A 86 -15.743 3.801 -1.172 1.00 0.00 C ATOM 1392 C GLU A 86 -15.066 4.708 -2.202 1.00 0.00 C ATOM 1393 O GLU A 86 -14.930 4.336 -3.367 1.00 0.00 O ATOM 1394 CB GLU A 86 -17.218 4.171 -1.001 1.00 0.00 C ATOM 1395 CG GLU A 86 -18.074 3.530 -2.095 1.00 0.00 C ATOM 1396 CD GLU A 86 -19.504 3.294 -1.604 1.00 0.00 C ATOM 1397 OE1 GLU A 86 -19.638 2.718 -0.503 1.00 0.00 O ATOM 1398 OE2 GLU A 86 -20.430 3.695 -2.341 1.00 0.00 O ATOM 0 H GLU A 86 -15.624 4.112 0.897 1.00 0.00 H new ATOM 0 HA GLU A 86 -15.700 2.774 -1.536 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -17.568 3.844 -0.022 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -17.331 5.255 -1.034 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -18.089 4.174 -2.974 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -17.630 2.583 -2.401 1.00 0.00 H new ATOM 1405 N GLN A 87 -14.661 5.880 -1.737 1.00 0.00 N ATOM 1406 CA GLN A 87 -14.002 6.842 -2.603 1.00 0.00 C ATOM 1407 C GLN A 87 -12.588 6.367 -2.946 1.00 0.00 C ATOM 1408 O GLN A 87 -12.115 6.569 -4.063 1.00 0.00 O ATOM 1409 CB GLN A 87 -13.973 8.230 -1.960 1.00 0.00 C ATOM 1410 CG GLN A 87 -13.542 9.294 -2.971 1.00 0.00 C ATOM 1411 CD GLN A 87 -13.833 10.701 -2.443 1.00 0.00 C ATOM 1412 OE1 GLN A 87 -14.906 11.251 -2.626 1.00 0.00 O ATOM 1413 NE2 GLN A 87 -12.819 11.250 -1.781 1.00 0.00 N ATOM 0 H GLN A 87 -14.777 6.185 -0.771 1.00 0.00 H new ATOM 0 HA GLN A 87 -14.573 6.918 -3.528 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -14.961 8.474 -1.569 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -13.286 8.228 -1.114 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -12.477 9.193 -3.179 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -14.067 9.139 -3.914 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -11.947 10.734 -1.664 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -12.913 12.187 -1.390 1.00 0.00 H new ATOM 1422 N VAL A 88 -11.953 5.745 -1.963 1.00 0.00 N ATOM 1423 CA VAL A 88 -10.604 5.239 -2.147 1.00 0.00 C ATOM 1424 C VAL A 88 -10.611 4.158 -3.230 1.00 0.00 C ATOM 1425 O VAL A 88 -9.758 4.156 -4.115 1.00 0.00 O ATOM 1426 CB VAL A 88 -10.044 4.744 -0.812 1.00 0.00 C ATOM 1427 CG1 VAL A 88 -8.581 4.319 -0.954 1.00 0.00 C ATOM 1428 CG2 VAL A 88 -10.203 5.808 0.277 1.00 0.00 C ATOM 0 H VAL A 88 -12.348 5.580 -1.037 1.00 0.00 H new ATOM 0 HA VAL A 88 -9.942 6.035 -2.487 1.00 0.00 H new ATOM 0 HB VAL A 88 -10.619 3.868 -0.512 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -8.208 3.972 0.009 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -8.505 3.513 -1.684 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -7.986 5.169 -1.288 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -9.797 5.431 1.216 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -9.665 6.710 -0.015 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -11.260 6.041 0.406 1.00 0.00 H new ATOM 1438 N LEU A 89 -11.584 3.265 -3.122 1.00 0.00 N ATOM 1439 CA LEU A 89 -11.714 2.181 -4.081 1.00 0.00 C ATOM 1440 C LEU A 89 -11.814 2.764 -5.493 1.00 0.00 C ATOM 1441 O LEU A 89 -11.252 2.211 -6.437 1.00 0.00 O ATOM 1442 CB LEU A 89 -12.886 1.272 -3.707 1.00 0.00 C ATOM 1443 CG LEU A 89 -12.830 0.645 -2.313 1.00 0.00 C ATOM 1444 CD1 LEU A 89 -14.218 0.188 -1.860 1.00 0.00 C ATOM 1445 CD2 LEU A 89 -11.808 -0.493 -2.265 1.00 0.00 C ATOM 0 H LEU A 89 -12.289 3.270 -2.385 1.00 0.00 H new ATOM 0 HA LEU A 89 -10.829 1.546 -4.060 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -13.807 1.849 -3.788 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -12.947 0.470 -4.442 1.00 0.00 H new ATOM 0 HG LEU A 89 -12.497 1.408 -1.609 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -14.149 -0.254 -0.866 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -14.891 1.045 -1.830 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -14.604 -0.553 -2.560 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -11.788 -0.922 -1.263 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -12.087 -1.263 -2.984 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -10.820 -0.106 -2.514 1.00 0.00 H new ATOM 1457 N ARG A 90 -12.533 3.872 -5.591 1.00 0.00 N ATOM 1458 CA ARG A 90 -12.714 4.536 -6.871 1.00 0.00 C ATOM 1459 C ARG A 90 -11.357 4.798 -7.529 1.00 0.00 C ATOM 1460 O ARG A 90 -11.267 4.910 -8.751 1.00 0.00 O ATOM 1461 CB ARG A 90 -13.457 5.862 -6.704 1.00 0.00 C ATOM 1462 CG ARG A 90 -14.733 5.886 -7.548 1.00 0.00 C ATOM 1463 CD ARG A 90 -15.801 6.770 -6.902 1.00 0.00 C ATOM 1464 NE ARG A 90 -16.146 7.890 -7.807 1.00 0.00 N ATOM 1465 CZ ARG A 90 -16.996 8.877 -7.491 1.00 0.00 C ATOM 1466 NH1 ARG A 90 -17.592 8.889 -6.291 1.00 0.00 N ATOM 1467 NH2 ARG A 90 -17.249 9.852 -8.375 1.00 0.00 N ATOM 0 H ARG A 90 -12.997 4.327 -4.805 1.00 0.00 H new ATOM 0 HA ARG A 90 -13.308 3.878 -7.505 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -13.708 6.012 -5.654 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -12.807 6.686 -6.997 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -14.505 6.256 -8.548 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -15.116 4.872 -7.663 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -16.691 6.180 -6.685 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -15.437 7.159 -5.951 1.00 0.00 H new ATOM 0 HE ARG A 90 -15.709 7.912 -8.729 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -17.399 8.147 -5.618 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -18.239 9.640 -6.050 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -16.795 9.843 -9.288 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -17.896 10.603 -8.135 1.00 0.00 H new ATOM 1481 N GLU A 91 -10.336 4.889 -6.690 1.00 0.00 N ATOM 1482 CA GLU A 91 -8.989 5.136 -7.174 1.00 0.00 C ATOM 1483 C GLU A 91 -8.122 3.889 -6.992 1.00 0.00 C ATOM 1484 O GLU A 91 -7.190 3.658 -7.761 1.00 0.00 O ATOM 1485 CB GLU A 91 -8.366 6.344 -6.471 1.00 0.00 C ATOM 1486 CG GLU A 91 -9.261 7.578 -6.607 1.00 0.00 C ATOM 1487 CD GLU A 91 -8.774 8.486 -7.738 1.00 0.00 C ATOM 1488 OE1 GLU A 91 -9.240 8.271 -8.878 1.00 0.00 O ATOM 1489 OE2 GLU A 91 -7.949 9.375 -7.437 1.00 0.00 O ATOM 0 H GLU A 91 -10.415 4.796 -5.677 1.00 0.00 H new ATOM 0 HA GLU A 91 -9.043 5.365 -8.238 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -8.212 6.116 -5.416 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -7.385 6.552 -6.899 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -10.288 7.268 -6.801 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -9.268 8.132 -5.668 1.00 0.00 H new ATOM 1496 N ALA A 92 -8.459 3.117 -5.969 1.00 0.00 N ATOM 1497 CA ALA A 92 -7.723 1.899 -5.676 1.00 0.00 C ATOM 1498 C ALA A 92 -7.632 1.045 -6.942 1.00 0.00 C ATOM 1499 O ALA A 92 -8.651 0.717 -7.548 1.00 0.00 O ATOM 1500 CB ALA A 92 -8.400 1.159 -4.521 1.00 0.00 C ATOM 0 H ALA A 92 -9.232 3.312 -5.333 1.00 0.00 H new ATOM 0 HA ALA A 92 -6.705 2.132 -5.362 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -7.848 0.245 -4.301 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -8.412 1.797 -3.637 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -9.423 0.907 -4.800 1.00 0.00 H new ATOM 1506 N ILE A 93 -6.403 0.710 -7.305 1.00 0.00 N ATOM 1507 CA ILE A 93 -6.166 -0.099 -8.488 1.00 0.00 C ATOM 1508 C ILE A 93 -5.385 -1.354 -8.095 1.00 0.00 C ATOM 1509 O ILE A 93 -4.510 -1.300 -7.232 1.00 0.00 O ATOM 1510 CB ILE A 93 -5.486 0.732 -9.578 1.00 0.00 C ATOM 1511 CG1 ILE A 93 -4.054 1.094 -9.178 1.00 0.00 C ATOM 1512 CG2 ILE A 93 -6.315 1.971 -9.921 1.00 0.00 C ATOM 1513 CD1 ILE A 93 -3.248 1.562 -10.391 1.00 0.00 C ATOM 0 H ILE A 93 -5.560 0.984 -6.800 1.00 0.00 H new ATOM 0 HA ILE A 93 -7.111 -0.433 -8.916 1.00 0.00 H new ATOM 0 HB ILE A 93 -5.425 0.125 -10.481 1.00 0.00 H new ATOM 0 HG12 ILE A 93 -4.071 1.880 -8.423 1.00 0.00 H new ATOM 0 HG13 ILE A 93 -3.569 0.229 -8.726 1.00 0.00 H new ATOM 0 HG21 ILE A 93 -5.809 2.544 -10.698 1.00 0.00 H new ATOM 0 HG22 ILE A 93 -7.298 1.664 -10.278 1.00 0.00 H new ATOM 0 HG23 ILE A 93 -6.430 2.590 -9.031 1.00 0.00 H new ATOM 0 HD11 ILE A 93 -2.234 1.813 -10.079 1.00 0.00 H new ATOM 0 HD12 ILE A 93 -3.212 0.765 -11.134 1.00 0.00 H new ATOM 0 HD13 ILE A 93 -3.722 2.442 -10.826 1.00 0.00 H new ATOM 1525 N PRO A 94 -5.739 -2.485 -8.763 1.00 0.00 N ATOM 1526 CA PRO A 94 -5.081 -3.751 -8.492 1.00 0.00 C ATOM 1527 C PRO A 94 -3.681 -3.785 -9.107 1.00 0.00 C ATOM 1528 O PRO A 94 -3.497 -3.404 -10.262 1.00 0.00 O ATOM 1529 CB PRO A 94 -6.009 -4.808 -9.070 1.00 0.00 C ATOM 1530 CG PRO A 94 -6.915 -4.077 -10.047 1.00 0.00 C ATOM 1531 CD PRO A 94 -6.771 -2.586 -9.791 1.00 0.00 C ATOM 0 HA PRO A 94 -4.918 -3.921 -7.428 1.00 0.00 H new ATOM 0 HB2 PRO A 94 -5.443 -5.592 -9.574 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -6.590 -5.290 -8.284 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -6.640 -4.316 -11.074 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -7.951 -4.389 -9.913 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -6.481 -2.055 -10.697 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -7.711 -2.150 -9.453 1.00 0.00 H new ATOM 1539 N LEU A 95 -2.729 -4.243 -8.308 1.00 0.00 N ATOM 1540 CA LEU A 95 -1.350 -4.331 -8.759 1.00 0.00 C ATOM 1541 C LEU A 95 -1.029 -5.782 -9.121 1.00 0.00 C ATOM 1542 O LEU A 95 -1.540 -6.710 -8.497 1.00 0.00 O ATOM 1543 CB LEU A 95 -0.406 -3.734 -7.714 1.00 0.00 C ATOM 1544 CG LEU A 95 1.012 -4.309 -7.685 1.00 0.00 C ATOM 1545 CD1 LEU A 95 1.001 -5.772 -7.238 1.00 0.00 C ATOM 1546 CD2 LEU A 95 1.705 -4.128 -9.037 1.00 0.00 C ATOM 0 H LEU A 95 -2.885 -4.557 -7.350 1.00 0.00 H new ATOM 0 HA LEU A 95 -1.205 -3.737 -9.662 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -0.338 -2.660 -7.886 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -0.853 -3.871 -6.729 1.00 0.00 H new ATOM 0 HG LEU A 95 1.592 -3.752 -6.949 1.00 0.00 H new ATOM 0 HD11 LEU A 95 2.021 -6.156 -7.226 1.00 0.00 H new ATOM 0 HD12 LEU A 95 0.574 -5.844 -6.237 1.00 0.00 H new ATOM 0 HD13 LEU A 95 0.400 -6.360 -7.932 1.00 0.00 H new ATOM 0 HD21 LEU A 95 2.711 -4.545 -8.989 1.00 0.00 H new ATOM 0 HD22 LEU A 95 1.135 -4.643 -9.810 1.00 0.00 H new ATOM 0 HD23 LEU A 95 1.764 -3.066 -9.277 1.00 0.00 H new