USER MOD reduce.3.24.130724 H: found=0, std=0, add=530, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 527 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 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc=-0.00766 USER MOD Single : A 16 TYR OH : rot -149:sc= 1.28 USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ -109:sc= 0.867 (180deg=-0.145) USER MOD Single : A 22 THR OG1 : rot -59:sc= 0.0805 USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 36 HIS : no HD1:sc= -0.0287 X(o=-0.029,f=-0.035) USER MOD Single : A 37 ASN : amide:sc= 0 X(o=0,f=-0.031) USER MOD Single : A 44 MET CE :methyl -156:sc= -0.0943 (180deg=-0.743) USER MOD Single : A 47 THR OG1 : rot 180:sc= -0.835 USER MOD Single : A 48 ASN : amide:sc= 0.533 K(o=0.53,f=-12!) USER MOD Single : A 51 THR OG1 : rot 180:sc= -0.533 USER MOD Single : A 54 GLN : amide:sc= 0 X(o=0,f=-0.052) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot 19:sc= 0.25 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -21.557 5.685 0.793 1.00 0.00 N ATOM 2 CA GLY A 1 -20.497 6.525 0.267 1.00 0.00 C ATOM 3 C GLY A 1 -21.002 7.883 -0.180 1.00 0.00 C ATOM 4 O GLY A 1 -21.817 7.978 -1.097 1.00 0.00 O ATOM 0 H1 GLY A 1 -21.161 4.769 1.085 1.00 0.00 H new ATOM 0 H2 GLY A 1 -21.994 6.151 1.614 1.00 0.00 H new ATOM 0 H3 GLY A 1 -22.277 5.533 0.058 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -19.731 6.659 1.031 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -20.023 6.022 -0.576 1.00 0.00 H new ATOM 8 N SER A 2 -20.517 8.936 0.470 1.00 0.00 N ATOM 9 CA SER A 2 -20.928 10.295 0.137 1.00 0.00 C ATOM 10 C SER A 2 -19.717 11.215 0.020 1.00 0.00 C ATOM 11 O SER A 2 -18.709 11.023 0.701 1.00 0.00 O ATOM 12 CB SER A 2 -21.891 10.833 1.198 1.00 0.00 C ATOM 13 OG SER A 2 -21.240 10.986 2.447 1.00 0.00 O ATOM 0 H SER A 2 -19.839 8.874 1.230 1.00 0.00 H new ATOM 0 HA SER A 2 -21.437 10.269 -0.826 1.00 0.00 H new ATOM 0 HB2 SER A 2 -22.294 11.793 0.875 1.00 0.00 H new ATOM 0 HB3 SER A 2 -22.736 10.152 1.306 1.00 0.00 H new ATOM 0 HG SER A 2 -21.876 11.333 3.107 1.00 0.00 H new ATOM 19 N SER A 3 -19.824 12.216 -0.848 1.00 0.00 N ATOM 20 CA SER A 3 -18.737 13.165 -1.058 1.00 0.00 C ATOM 21 C SER A 3 -18.286 13.776 0.265 1.00 0.00 C ATOM 22 O SER A 3 -19.056 13.852 1.221 1.00 0.00 O ATOM 23 CB SER A 3 -19.176 14.271 -2.020 1.00 0.00 C ATOM 24 OG SER A 3 -18.086 15.106 -2.369 1.00 0.00 O ATOM 0 H SER A 3 -20.652 12.391 -1.417 1.00 0.00 H new ATOM 0 HA SER A 3 -17.896 12.626 -1.495 1.00 0.00 H new ATOM 0 HB2 SER A 3 -19.601 13.827 -2.920 1.00 0.00 H new ATOM 0 HB3 SER A 3 -19.962 14.868 -1.558 1.00 0.00 H new ATOM 0 HG SER A 3 -18.392 15.803 -2.986 1.00 0.00 H new ATOM 30 N GLY A 4 -17.030 14.211 0.311 1.00 0.00 N ATOM 31 CA GLY A 4 -16.496 14.809 1.521 1.00 0.00 C ATOM 32 C GLY A 4 -15.003 14.591 1.665 1.00 0.00 C ATOM 33 O GLY A 4 -14.229 15.548 1.688 1.00 0.00 O ATOM 0 H GLY A 4 -16.373 14.160 -0.468 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -16.705 15.879 1.517 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -17.007 14.388 2.387 1.00 0.00 H new ATOM 37 N SER A 5 -14.597 13.330 1.765 1.00 0.00 N ATOM 38 CA SER A 5 -13.187 12.989 1.913 1.00 0.00 C ATOM 39 C SER A 5 -12.537 12.763 0.552 1.00 0.00 C ATOM 40 O SER A 5 -13.185 12.307 -0.390 1.00 0.00 O ATOM 41 CB SER A 5 -13.031 11.739 2.780 1.00 0.00 C ATOM 42 OG SER A 5 -13.301 10.564 2.035 1.00 0.00 O ATOM 0 H SER A 5 -15.225 12.526 1.746 1.00 0.00 H new ATOM 0 HA SER A 5 -12.686 13.825 2.401 1.00 0.00 H new ATOM 0 HB2 SER A 5 -12.018 11.695 3.180 1.00 0.00 H new ATOM 0 HB3 SER A 5 -13.708 11.797 3.632 1.00 0.00 H new ATOM 0 HG SER A 5 -13.193 9.779 2.612 1.00 0.00 H new ATOM 48 N SER A 6 -11.250 13.084 0.457 1.00 0.00 N ATOM 49 CA SER A 6 -10.511 12.920 -0.789 1.00 0.00 C ATOM 50 C SER A 6 -9.942 11.509 -0.901 1.00 0.00 C ATOM 51 O SER A 6 -9.655 10.862 0.105 1.00 0.00 O ATOM 52 CB SER A 6 -9.381 13.947 -0.876 1.00 0.00 C ATOM 53 OG SER A 6 -8.517 13.664 -1.963 1.00 0.00 O ATOM 0 H SER A 6 -10.698 13.459 1.228 1.00 0.00 H new ATOM 0 HA SER A 6 -11.202 13.081 -1.616 1.00 0.00 H new ATOM 0 HB2 SER A 6 -9.801 14.946 -0.992 1.00 0.00 H new ATOM 0 HB3 SER A 6 -8.813 13.947 0.054 1.00 0.00 H new ATOM 0 HG SER A 6 -7.804 14.336 -1.998 1.00 0.00 H new ATOM 59 N GLY A 7 -9.780 11.039 -2.134 1.00 0.00 N ATOM 60 CA GLY A 7 -9.245 9.708 -2.356 1.00 0.00 C ATOM 61 C GLY A 7 -7.756 9.721 -2.635 1.00 0.00 C ATOM 62 O GLY A 7 -7.334 9.795 -3.790 1.00 0.00 O ATOM 0 H GLY A 7 -10.010 11.556 -2.983 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -9.442 9.090 -1.480 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -9.765 9.246 -3.195 1.00 0.00 H new ATOM 66 N ARG A 8 -6.956 9.649 -1.576 1.00 0.00 N ATOM 67 CA ARG A 8 -5.504 9.656 -1.713 1.00 0.00 C ATOM 68 C ARG A 8 -5.008 8.341 -2.307 1.00 0.00 C ATOM 69 O ARG A 8 -5.542 7.273 -2.008 1.00 0.00 O ATOM 70 CB ARG A 8 -4.844 9.895 -0.354 1.00 0.00 C ATOM 71 CG ARG A 8 -3.358 9.577 -0.335 1.00 0.00 C ATOM 72 CD ARG A 8 -2.711 10.018 0.969 1.00 0.00 C ATOM 73 NE ARG A 8 -3.172 9.223 2.105 1.00 0.00 N ATOM 74 CZ ARG A 8 -2.817 9.464 3.362 1.00 0.00 C ATOM 75 NH1 ARG A 8 -2.001 10.471 3.643 1.00 0.00 N ATOM 76 NH2 ARG A 8 -3.278 8.696 4.341 1.00 0.00 N ATOM 0 H ARG A 8 -7.289 9.585 -0.614 1.00 0.00 H new ATOM 0 HA ARG A 8 -5.231 10.466 -2.389 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -4.988 10.937 -0.068 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -5.347 9.286 0.397 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -3.212 8.505 -0.471 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -2.868 10.074 -1.172 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -1.628 9.933 0.883 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -2.935 11.070 1.148 1.00 0.00 H new ATOM 0 HE ARG A 8 -3.800 8.441 1.923 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -1.644 11.063 2.893 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -1.730 10.654 4.609 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -3.905 7.920 4.128 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -3.005 8.881 5.306 1.00 0.00 H new ATOM 90 N ARG A 9 -3.985 8.428 -3.151 1.00 0.00 N ATOM 91 CA ARG A 9 -3.418 7.246 -3.789 1.00 0.00 C ATOM 92 C ARG A 9 -1.957 7.061 -3.391 1.00 0.00 C ATOM 93 O ARG A 9 -1.253 8.030 -3.104 1.00 0.00 O ATOM 94 CB ARG A 9 -3.534 7.356 -5.310 1.00 0.00 C ATOM 95 CG ARG A 9 -2.826 6.238 -6.057 1.00 0.00 C ATOM 96 CD ARG A 9 -3.510 5.932 -7.381 1.00 0.00 C ATOM 97 NE ARG A 9 -3.114 6.867 -8.431 1.00 0.00 N ATOM 98 CZ ARG A 9 -3.374 6.679 -9.719 1.00 0.00 C ATOM 99 NH1 ARG A 9 -4.028 5.596 -10.116 1.00 0.00 N ATOM 100 NH2 ARG A 9 -2.981 7.576 -10.615 1.00 0.00 N ATOM 0 H ARG A 9 -3.532 9.305 -3.409 1.00 0.00 H new ATOM 0 HA ARG A 9 -3.981 6.376 -3.451 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -4.588 7.355 -5.586 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -3.121 8.313 -5.629 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -1.789 6.520 -6.239 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -2.809 5.340 -5.439 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -3.265 4.916 -7.689 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -4.591 5.973 -7.248 1.00 0.00 H new ATOM 0 HE ARG A 9 -2.610 7.711 -8.159 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -4.333 4.905 -9.431 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -4.226 5.454 -11.106 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -2.478 8.411 -10.314 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -3.181 7.430 -11.604 1.00 0.00 H new ATOM 114 N VAL A 10 -1.506 5.811 -3.376 1.00 0.00 N ATOM 115 CA VAL A 10 -0.128 5.499 -3.015 1.00 0.00 C ATOM 116 C VAL A 10 0.432 4.387 -3.894 1.00 0.00 C ATOM 117 O VAL A 10 -0.315 3.675 -4.565 1.00 0.00 O ATOM 118 CB VAL A 10 -0.018 5.076 -1.538 1.00 0.00 C ATOM 119 CG1 VAL A 10 -0.353 6.243 -0.621 1.00 0.00 C ATOM 120 CG2 VAL A 10 -0.925 3.888 -1.255 1.00 0.00 C ATOM 0 H VAL A 10 -2.075 4.997 -3.610 1.00 0.00 H new ATOM 0 HA VAL A 10 0.454 6.408 -3.170 1.00 0.00 H new ATOM 0 HB VAL A 10 1.011 4.774 -1.341 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -0.270 5.925 0.418 1.00 0.00 H new ATOM 0 HG12 VAL A 10 0.342 7.062 -0.806 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -1.371 6.579 -0.817 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -0.834 3.603 -0.207 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -1.959 4.160 -1.469 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -0.633 3.049 -1.886 1.00 0.00 H new ATOM 130 N ARG A 11 1.754 4.243 -3.885 1.00 0.00 N ATOM 131 CA ARG A 11 2.415 3.217 -4.683 1.00 0.00 C ATOM 132 C ARG A 11 3.418 2.435 -3.839 1.00 0.00 C ATOM 133 O ARG A 11 4.313 3.015 -3.225 1.00 0.00 O ATOM 134 CB ARG A 11 3.125 3.851 -5.880 1.00 0.00 C ATOM 135 CG ARG A 11 3.848 2.846 -6.762 1.00 0.00 C ATOM 136 CD ARG A 11 4.928 3.514 -7.599 1.00 0.00 C ATOM 137 NE ARG A 11 4.363 4.342 -8.661 1.00 0.00 N ATOM 138 CZ ARG A 11 3.931 3.858 -9.820 1.00 0.00 C ATOM 139 NH1 ARG A 11 3.999 2.556 -10.064 1.00 0.00 N ATOM 140 NH2 ARG A 11 3.429 4.675 -10.737 1.00 0.00 N ATOM 0 H ARG A 11 2.387 4.823 -3.335 1.00 0.00 H new ATOM 0 HA ARG A 11 1.653 2.526 -5.045 1.00 0.00 H new ATOM 0 HB2 ARG A 11 2.393 4.390 -6.482 1.00 0.00 H new ATOM 0 HB3 ARG A 11 3.843 4.587 -5.518 1.00 0.00 H new ATOM 0 HG2 ARG A 11 4.296 2.071 -6.140 1.00 0.00 H new ATOM 0 HG3 ARG A 11 3.130 2.354 -7.418 1.00 0.00 H new ATOM 0 HD2 ARG A 11 5.557 4.129 -6.955 1.00 0.00 H new ATOM 0 HD3 ARG A 11 5.571 2.751 -8.037 1.00 0.00 H new ATOM 0 HE ARG A 11 4.296 5.348 -8.504 1.00 0.00 H new ATOM 0 HH11 ARG A 11 4.383 1.925 -9.361 1.00 0.00 H new ATOM 0 HH12 ARG A 11 3.667 2.186 -10.955 1.00 0.00 H new ATOM 0 HH21 ARG A 11 3.374 5.677 -10.553 1.00 0.00 H new ATOM 0 HH22 ARG A 11 3.098 4.301 -11.626 1.00 0.00 H new ATOM 154 N ALA A 12 3.260 1.116 -3.813 1.00 0.00 N ATOM 155 CA ALA A 12 4.151 0.255 -3.046 1.00 0.00 C ATOM 156 C ALA A 12 5.565 0.281 -3.617 1.00 0.00 C ATOM 157 O ALA A 12 5.846 -0.356 -4.632 1.00 0.00 O ATOM 158 CB ALA A 12 3.616 -1.170 -3.021 1.00 0.00 C ATOM 0 H ALA A 12 2.523 0.620 -4.315 1.00 0.00 H new ATOM 0 HA ALA A 12 4.192 0.634 -2.025 1.00 0.00 H new ATOM 0 HB1 ALA A 12 4.291 -1.802 -2.445 1.00 0.00 H new ATOM 0 HB2 ALA A 12 2.628 -1.180 -2.560 1.00 0.00 H new ATOM 0 HB3 ALA A 12 3.545 -1.550 -4.040 1.00 0.00 H new ATOM 164 N ILE A 13 6.450 1.021 -2.958 1.00 0.00 N ATOM 165 CA ILE A 13 7.834 1.130 -3.401 1.00 0.00 C ATOM 166 C ILE A 13 8.552 -0.212 -3.295 1.00 0.00 C ATOM 167 O ILE A 13 9.649 -0.385 -3.829 1.00 0.00 O ATOM 168 CB ILE A 13 8.608 2.179 -2.580 1.00 0.00 C ATOM 169 CG1 ILE A 13 8.577 1.818 -1.093 1.00 0.00 C ATOM 170 CG2 ILE A 13 8.022 3.565 -2.806 1.00 0.00 C ATOM 171 CD1 ILE A 13 9.463 2.698 -0.239 1.00 0.00 C ATOM 0 H ILE A 13 6.233 1.554 -2.116 1.00 0.00 H new ATOM 0 HA ILE A 13 7.807 1.445 -4.444 1.00 0.00 H new ATOM 0 HB ILE A 13 9.646 2.186 -2.912 1.00 0.00 H new ATOM 0 HG12 ILE A 13 7.551 1.889 -0.731 1.00 0.00 H new ATOM 0 HG13 ILE A 13 8.886 0.780 -0.973 1.00 0.00 H new ATOM 0 HG21 ILE A 13 8.579 4.296 -2.219 1.00 0.00 H new ATOM 0 HG22 ILE A 13 8.090 3.821 -3.863 1.00 0.00 H new ATOM 0 HG23 ILE A 13 6.977 3.573 -2.497 1.00 0.00 H new ATOM 0 HD11 ILE A 13 9.391 2.385 0.803 1.00 0.00 H new ATOM 0 HD12 ILE A 13 10.496 2.609 -0.574 1.00 0.00 H new ATOM 0 HD13 ILE A 13 9.141 3.735 -0.329 1.00 0.00 H new ATOM 183 N LEU A 14 7.926 -1.158 -2.605 1.00 0.00 N ATOM 184 CA LEU A 14 8.503 -2.487 -2.431 1.00 0.00 C ATOM 185 C LEU A 14 7.413 -3.529 -2.204 1.00 0.00 C ATOM 186 O LEU A 14 6.316 -3.224 -1.734 1.00 0.00 O ATOM 187 CB LEU A 14 9.480 -2.489 -1.253 1.00 0.00 C ATOM 188 CG LEU A 14 10.813 -1.777 -1.485 1.00 0.00 C ATOM 189 CD1 LEU A 14 11.649 -1.782 -0.215 1.00 0.00 C ATOM 190 CD2 LEU A 14 11.574 -2.429 -2.630 1.00 0.00 C ATOM 0 H LEU A 14 7.019 -1.030 -2.157 1.00 0.00 H new ATOM 0 HA LEU A 14 9.041 -2.745 -3.343 1.00 0.00 H new ATOM 0 HB2 LEU A 14 8.988 -2.026 -0.398 1.00 0.00 H new ATOM 0 HB3 LEU A 14 9.686 -3.524 -0.980 1.00 0.00 H new ATOM 0 HG LEU A 14 10.607 -0.741 -1.756 1.00 0.00 H new ATOM 0 HD11 LEU A 14 12.594 -1.271 -0.399 1.00 0.00 H new ATOM 0 HD12 LEU A 14 11.107 -1.268 0.579 1.00 0.00 H new ATOM 0 HD13 LEU A 14 11.846 -2.811 0.087 1.00 0.00 H new ATOM 0 HD21 LEU A 14 12.520 -1.909 -2.781 1.00 0.00 H new ATOM 0 HD22 LEU A 14 11.769 -3.474 -2.389 1.00 0.00 H new ATOM 0 HD23 LEU A 14 10.979 -2.372 -3.542 1.00 0.00 H new ATOM 202 N PRO A 15 7.720 -4.790 -2.543 1.00 0.00 N ATOM 203 CA PRO A 15 6.780 -5.904 -2.382 1.00 0.00 C ATOM 204 C PRO A 15 6.538 -6.252 -0.918 1.00 0.00 C ATOM 205 O PRO A 15 7.427 -6.100 -0.079 1.00 0.00 O ATOM 206 CB PRO A 15 7.477 -7.062 -3.100 1.00 0.00 C ATOM 207 CG PRO A 15 8.927 -6.726 -3.041 1.00 0.00 C ATOM 208 CD PRO A 15 9.008 -5.226 -3.108 1.00 0.00 C ATOM 0 HA PRO A 15 5.795 -5.667 -2.783 1.00 0.00 H new ATOM 0 HB2 PRO A 15 7.271 -8.013 -2.610 1.00 0.00 H new ATOM 0 HB3 PRO A 15 7.133 -7.153 -4.130 1.00 0.00 H new ATOM 0 HG2 PRO A 15 9.377 -7.100 -2.122 1.00 0.00 H new ATOM 0 HG3 PRO A 15 9.468 -7.183 -3.870 1.00 0.00 H new ATOM 0 HD2 PRO A 15 9.850 -4.843 -2.532 1.00 0.00 H new ATOM 0 HD3 PRO A 15 9.137 -4.876 -4.132 1.00 0.00 H new ATOM 216 N TYR A 16 5.332 -6.721 -0.617 1.00 0.00 N ATOM 217 CA TYR A 16 4.974 -7.089 0.747 1.00 0.00 C ATOM 218 C TYR A 16 4.268 -8.441 0.779 1.00 0.00 C ATOM 219 O TYR A 16 3.492 -8.772 -0.118 1.00 0.00 O ATOM 220 CB TYR A 16 4.075 -6.018 1.368 1.00 0.00 C ATOM 221 CG TYR A 16 3.548 -6.388 2.736 1.00 0.00 C ATOM 222 CD1 TYR A 16 4.415 -6.624 3.795 1.00 0.00 C ATOM 223 CD2 TYR A 16 2.183 -6.502 2.968 1.00 0.00 C ATOM 224 CE1 TYR A 16 3.938 -6.963 5.047 1.00 0.00 C ATOM 225 CE2 TYR A 16 1.697 -6.838 4.217 1.00 0.00 C ATOM 226 CZ TYR A 16 2.578 -7.069 5.253 1.00 0.00 C ATOM 227 OH TYR A 16 2.098 -7.406 6.497 1.00 0.00 O ATOM 0 H TYR A 16 4.586 -6.855 -1.300 1.00 0.00 H new ATOM 0 HA TYR A 16 5.893 -7.165 1.328 1.00 0.00 H new ATOM 0 HB2 TYR A 16 4.634 -5.085 1.443 1.00 0.00 H new ATOM 0 HB3 TYR A 16 3.233 -5.832 0.702 1.00 0.00 H new ATOM 0 HD1 TYR A 16 5.480 -6.541 3.637 1.00 0.00 H new ATOM 0 HD2 TYR A 16 1.490 -6.325 2.159 1.00 0.00 H new ATOM 0 HE1 TYR A 16 4.626 -7.144 5.860 1.00 0.00 H new ATOM 0 HE2 TYR A 16 0.633 -6.919 4.381 1.00 0.00 H new ATOM 0 HH TYR A 16 1.260 -7.905 6.400 1.00 0.00 H new ATOM 237 N THR A 17 4.543 -9.220 1.821 1.00 0.00 N ATOM 238 CA THR A 17 3.936 -10.537 1.971 1.00 0.00 C ATOM 239 C THR A 17 2.765 -10.494 2.946 1.00 0.00 C ATOM 240 O THR A 17 2.953 -10.559 4.161 1.00 0.00 O ATOM 241 CB THR A 17 4.962 -11.575 2.463 1.00 0.00 C ATOM 242 OG1 THR A 17 6.102 -11.586 1.597 1.00 0.00 O ATOM 243 CG2 THR A 17 4.344 -12.964 2.514 1.00 0.00 C ATOM 0 H THR A 17 5.182 -8.962 2.573 1.00 0.00 H new ATOM 0 HA THR A 17 3.574 -10.833 0.986 1.00 0.00 H new ATOM 0 HB THR A 17 5.274 -11.296 3.469 1.00 0.00 H new ATOM 0 HG1 THR A 17 6.750 -12.247 1.918 1.00 0.00 H new ATOM 0 HG21 THR A 17 5.087 -13.680 2.864 1.00 0.00 H new ATOM 0 HG22 THR A 17 3.494 -12.959 3.197 1.00 0.00 H new ATOM 0 HG23 THR A 17 4.007 -13.249 1.517 1.00 0.00 H new ATOM 251 N LYS A 18 1.556 -10.387 2.407 1.00 0.00 N ATOM 252 CA LYS A 18 0.352 -10.337 3.228 1.00 0.00 C ATOM 253 C LYS A 18 0.384 -11.418 4.304 1.00 0.00 C ATOM 254 O LYS A 18 1.234 -12.308 4.280 1.00 0.00 O ATOM 255 CB LYS A 18 -0.893 -10.507 2.356 1.00 0.00 C ATOM 256 CG LYS A 18 -1.068 -11.915 1.813 1.00 0.00 C ATOM 257 CD LYS A 18 -2.488 -12.153 1.328 1.00 0.00 C ATOM 258 CE LYS A 18 -3.427 -12.469 2.482 1.00 0.00 C ATOM 259 NZ LYS A 18 -3.265 -13.870 2.961 1.00 0.00 N ATOM 0 H LYS A 18 1.383 -10.333 1.403 1.00 0.00 H new ATOM 0 HA LYS A 18 0.315 -9.363 3.716 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -1.774 -10.239 2.939 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -0.839 -9.809 1.521 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -0.370 -12.079 0.992 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -0.822 -12.639 2.590 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -2.845 -11.270 0.799 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -2.496 -12.977 0.615 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -3.236 -11.780 3.305 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -4.458 -12.310 2.165 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -4.099 -14.428 2.690 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -2.415 -14.287 2.532 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -3.168 -13.874 3.996 1.00 0.00 H new ATOM 273 N VAL A 19 -0.550 -11.336 5.247 1.00 0.00 N ATOM 274 CA VAL A 19 -0.631 -12.309 6.330 1.00 0.00 C ATOM 275 C VAL A 19 -1.741 -13.323 6.076 1.00 0.00 C ATOM 276 O VAL A 19 -2.833 -12.984 5.621 1.00 0.00 O ATOM 277 CB VAL A 19 -0.879 -11.621 7.685 1.00 0.00 C ATOM 278 CG1 VAL A 19 -1.046 -12.656 8.787 1.00 0.00 C ATOM 279 CG2 VAL A 19 0.255 -10.662 8.011 1.00 0.00 C ATOM 0 H VAL A 19 -1.261 -10.606 5.282 1.00 0.00 H new ATOM 0 HA VAL A 19 0.328 -12.826 6.364 1.00 0.00 H new ATOM 0 HB VAL A 19 -1.802 -11.046 7.617 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -1.220 -12.151 9.737 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -1.895 -13.299 8.557 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -0.142 -13.261 8.858 1.00 0.00 H new ATOM 0 HG21 VAL A 19 0.063 -10.185 8.972 1.00 0.00 H new ATOM 0 HG22 VAL A 19 1.194 -11.213 8.061 1.00 0.00 H new ATOM 0 HG23 VAL A 19 0.322 -9.900 7.234 1.00 0.00 H new ATOM 289 N PRO A 20 -1.457 -14.599 6.377 1.00 0.00 N ATOM 290 CA PRO A 20 -2.419 -15.689 6.191 1.00 0.00 C ATOM 291 C PRO A 20 -3.580 -15.613 7.176 1.00 0.00 C ATOM 292 O PRO A 20 -3.391 -15.290 8.349 1.00 0.00 O ATOM 293 CB PRO A 20 -1.584 -16.947 6.446 1.00 0.00 C ATOM 294 CG PRO A 20 -0.474 -16.492 7.330 1.00 0.00 C ATOM 295 CD PRO A 20 -0.175 -15.075 6.924 1.00 0.00 C ATOM 0 HA PRO A 20 -2.881 -15.660 5.204 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -2.178 -17.726 6.925 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -1.202 -17.365 5.514 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -0.764 -16.544 8.379 1.00 0.00 H new ATOM 0 HG3 PRO A 20 0.405 -17.126 7.211 1.00 0.00 H new ATOM 0 HD2 PRO A 20 0.148 -14.473 7.774 1.00 0.00 H new ATOM 0 HD3 PRO A 20 0.621 -15.029 6.181 1.00 0.00 H new ATOM 303 N ASP A 21 -4.781 -15.911 6.693 1.00 0.00 N ATOM 304 CA ASP A 21 -5.973 -15.877 7.532 1.00 0.00 C ATOM 305 C ASP A 21 -6.240 -14.464 8.041 1.00 0.00 C ATOM 306 O ASP A 21 -6.354 -14.237 9.245 1.00 0.00 O ATOM 307 CB ASP A 21 -5.819 -16.837 8.713 1.00 0.00 C ATOM 308 CG ASP A 21 -6.327 -18.230 8.397 1.00 0.00 C ATOM 309 OD1 ASP A 21 -7.556 -18.394 8.250 1.00 0.00 O ATOM 310 OD2 ASP A 21 -5.496 -19.157 8.296 1.00 0.00 O ATOM 0 H ASP A 21 -4.955 -16.179 5.724 1.00 0.00 H new ATOM 0 HA ASP A 21 -6.822 -16.192 6.926 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -4.768 -16.893 8.998 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -6.361 -16.442 9.572 1.00 0.00 H new ATOM 315 N THR A 22 -6.336 -13.515 7.114 1.00 0.00 N ATOM 316 CA THR A 22 -6.587 -12.124 7.468 1.00 0.00 C ATOM 317 C THR A 22 -7.086 -11.332 6.265 1.00 0.00 C ATOM 318 O THR A 22 -7.274 -11.884 5.181 1.00 0.00 O ATOM 319 CB THR A 22 -5.319 -11.448 8.023 1.00 0.00 C ATOM 320 OG1 THR A 22 -4.229 -11.629 7.112 1.00 0.00 O ATOM 321 CG2 THR A 22 -4.950 -12.023 9.383 1.00 0.00 C ATOM 0 H THR A 22 -6.244 -13.685 6.113 1.00 0.00 H new ATOM 0 HA THR A 22 -7.356 -12.128 8.241 1.00 0.00 H new ATOM 0 HB THR A 22 -5.523 -10.384 8.139 1.00 0.00 H new ATOM 0 HG1 THR A 22 -4.068 -12.587 6.981 1.00 0.00 H new ATOM 0 HG21 THR A 22 -4.052 -11.530 9.755 1.00 0.00 H new ATOM 0 HG22 THR A 22 -5.770 -11.858 10.082 1.00 0.00 H new ATOM 0 HG23 THR A 22 -4.764 -13.093 9.287 1.00 0.00 H new ATOM 329 N ASP A 23 -7.298 -10.035 6.463 1.00 0.00 N ATOM 330 CA ASP A 23 -7.774 -9.166 5.393 1.00 0.00 C ATOM 331 C ASP A 23 -6.604 -8.509 4.666 1.00 0.00 C ATOM 332 O ASP A 23 -6.799 -7.747 3.720 1.00 0.00 O ATOM 333 CB ASP A 23 -8.708 -8.094 5.955 1.00 0.00 C ATOM 334 CG ASP A 23 -10.141 -8.578 6.071 1.00 0.00 C ATOM 335 OD1 ASP A 23 -10.340 -9.770 6.385 1.00 0.00 O ATOM 336 OD2 ASP A 23 -11.062 -7.765 5.847 1.00 0.00 O ATOM 0 H ASP A 23 -7.148 -9.563 7.354 1.00 0.00 H new ATOM 0 HA ASP A 23 -8.325 -9.778 4.679 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -8.351 -7.784 6.937 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -8.675 -7.214 5.312 1.00 0.00 H new ATOM 341 N GLU A 24 -5.390 -8.809 5.117 1.00 0.00 N ATOM 342 CA GLU A 24 -4.190 -8.245 4.510 1.00 0.00 C ATOM 343 C GLU A 24 -4.023 -8.737 3.075 1.00 0.00 C ATOM 344 O GLU A 24 -4.300 -9.897 2.770 1.00 0.00 O ATOM 345 CB GLU A 24 -2.954 -8.612 5.334 1.00 0.00 C ATOM 346 CG GLU A 24 -2.791 -7.776 6.592 1.00 0.00 C ATOM 347 CD GLU A 24 -1.369 -7.788 7.120 1.00 0.00 C ATOM 348 OE1 GLU A 24 -0.436 -7.943 6.305 1.00 0.00 O ATOM 349 OE2 GLU A 24 -1.191 -7.643 8.347 1.00 0.00 O ATOM 0 H GLU A 24 -5.212 -9.439 5.899 1.00 0.00 H new ATOM 0 HA GLU A 24 -4.298 -7.160 4.493 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -3.013 -9.664 5.612 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -2.066 -8.495 4.713 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -3.088 -6.748 6.382 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -3.464 -8.151 7.363 1.00 0.00 H new ATOM 356 N ILE A 25 -3.570 -7.846 2.200 1.00 0.00 N ATOM 357 CA ILE A 25 -3.365 -8.190 0.798 1.00 0.00 C ATOM 358 C ILE A 25 -1.898 -8.052 0.407 1.00 0.00 C ATOM 359 O ILE A 25 -1.171 -7.230 0.964 1.00 0.00 O ATOM 360 CB ILE A 25 -4.217 -7.303 -0.129 1.00 0.00 C ATOM 361 CG1 ILE A 25 -3.809 -5.836 0.016 1.00 0.00 C ATOM 362 CG2 ILE A 25 -5.696 -7.480 0.182 1.00 0.00 C ATOM 363 CD1 ILE A 25 -4.204 -4.979 -1.166 1.00 0.00 C ATOM 0 H ILE A 25 -3.338 -6.881 2.436 1.00 0.00 H new ATOM 0 HA ILE A 25 -3.674 -9.229 0.679 1.00 0.00 H new ATOM 0 HB ILE A 25 -4.043 -7.609 -1.161 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -4.264 -5.428 0.918 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -2.729 -5.779 0.151 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -6.286 -6.847 -0.481 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -5.977 -8.523 0.033 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -5.886 -7.198 1.217 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -3.883 -3.952 -0.994 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -3.727 -5.362 -2.068 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -5.287 -5.005 -1.289 1.00 0.00 H new ATOM 375 N SER A 26 -1.470 -8.862 -0.557 1.00 0.00 N ATOM 376 CA SER A 26 -0.088 -8.833 -1.022 1.00 0.00 C ATOM 377 C SER A 26 0.047 -7.965 -2.270 1.00 0.00 C ATOM 378 O SER A 26 -0.781 -8.033 -3.179 1.00 0.00 O ATOM 379 CB SER A 26 0.404 -10.251 -1.317 1.00 0.00 C ATOM 380 OG SER A 26 -0.399 -10.873 -2.305 1.00 0.00 O ATOM 0 H SER A 26 -2.060 -9.546 -1.031 1.00 0.00 H new ATOM 0 HA SER A 26 0.526 -8.401 -0.232 1.00 0.00 H new ATOM 0 HB2 SER A 26 1.440 -10.217 -1.654 1.00 0.00 H new ATOM 0 HB3 SER A 26 0.385 -10.844 -0.402 1.00 0.00 H new ATOM 0 HG SER A 26 -0.064 -11.778 -2.477 1.00 0.00 H new ATOM 386 N PHE A 27 1.096 -7.151 -2.307 1.00 0.00 N ATOM 387 CA PHE A 27 1.340 -6.269 -3.442 1.00 0.00 C ATOM 388 C PHE A 27 2.794 -6.356 -3.896 1.00 0.00 C ATOM 389 O PHE A 27 3.639 -6.926 -3.205 1.00 0.00 O ATOM 390 CB PHE A 27 0.994 -4.824 -3.076 1.00 0.00 C ATOM 391 CG PHE A 27 1.414 -4.441 -1.686 1.00 0.00 C ATOM 392 CD1 PHE A 27 0.606 -4.731 -0.599 1.00 0.00 C ATOM 393 CD2 PHE A 27 2.617 -3.790 -1.467 1.00 0.00 C ATOM 394 CE1 PHE A 27 0.990 -4.379 0.681 1.00 0.00 C ATOM 395 CE2 PHE A 27 3.007 -3.435 -0.189 1.00 0.00 C ATOM 396 CZ PHE A 27 2.193 -3.731 0.886 1.00 0.00 C ATOM 0 H PHE A 27 1.791 -7.084 -1.564 1.00 0.00 H new ATOM 0 HA PHE A 27 0.701 -6.591 -4.264 1.00 0.00 H new ATOM 0 HB2 PHE A 27 1.472 -4.153 -3.789 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -0.082 -4.680 -3.174 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -0.335 -5.238 -0.754 1.00 0.00 H new ATOM 0 HD2 PHE A 27 3.258 -3.557 -2.305 1.00 0.00 H new ATOM 0 HE1 PHE A 27 0.351 -4.610 1.520 1.00 0.00 H new ATOM 0 HE2 PHE A 27 3.947 -2.927 -0.032 1.00 0.00 H new ATOM 0 HZ PHE A 27 2.496 -3.457 1.886 1.00 0.00 H new ATOM 406 N LEU A 28 3.078 -5.788 -5.063 1.00 0.00 N ATOM 407 CA LEU A 28 4.430 -5.801 -5.611 1.00 0.00 C ATOM 408 C LEU A 28 4.921 -4.383 -5.883 1.00 0.00 C ATOM 409 O LEU A 28 4.131 -3.439 -5.932 1.00 0.00 O ATOM 410 CB LEU A 28 4.471 -6.623 -6.900 1.00 0.00 C ATOM 411 CG LEU A 28 4.096 -8.100 -6.767 1.00 0.00 C ATOM 412 CD1 LEU A 28 3.639 -8.658 -8.106 1.00 0.00 C ATOM 413 CD2 LEU A 28 5.271 -8.901 -6.226 1.00 0.00 C ATOM 0 H LEU A 28 2.390 -5.313 -5.648 1.00 0.00 H new ATOM 0 HA LEU A 28 5.090 -6.259 -4.874 1.00 0.00 H new ATOM 0 HB2 LEU A 28 3.798 -6.162 -7.623 1.00 0.00 H new ATOM 0 HB3 LEU A 28 5.477 -6.560 -7.315 1.00 0.00 H new ATOM 0 HG LEU A 28 3.269 -8.183 -6.062 1.00 0.00 H new ATOM 0 HD11 LEU A 28 3.377 -9.710 -7.991 1.00 0.00 H new ATOM 0 HD12 LEU A 28 2.768 -8.102 -8.454 1.00 0.00 H new ATOM 0 HD13 LEU A 28 4.445 -8.562 -8.834 1.00 0.00 H new ATOM 0 HD21 LEU A 28 4.987 -9.950 -6.138 1.00 0.00 H new ATOM 0 HD22 LEU A 28 6.117 -8.811 -6.907 1.00 0.00 H new ATOM 0 HD23 LEU A 28 5.552 -8.517 -5.245 1.00 0.00 H new ATOM 425 N LYS A 29 6.230 -4.239 -6.062 1.00 0.00 N ATOM 426 CA LYS A 29 6.827 -2.937 -6.334 1.00 0.00 C ATOM 427 C LYS A 29 6.110 -2.239 -7.485 1.00 0.00 C ATOM 428 O LYS A 29 6.277 -2.606 -8.647 1.00 0.00 O ATOM 429 CB LYS A 29 8.313 -3.094 -6.665 1.00 0.00 C ATOM 430 CG LYS A 29 8.984 -1.796 -7.080 1.00 0.00 C ATOM 431 CD LYS A 29 10.468 -1.993 -7.337 1.00 0.00 C ATOM 432 CE LYS A 29 11.181 -0.664 -7.535 1.00 0.00 C ATOM 433 NZ LYS A 29 12.594 -0.851 -7.967 1.00 0.00 N ATOM 0 H LYS A 29 6.898 -5.009 -6.023 1.00 0.00 H new ATOM 0 HA LYS A 29 6.723 -2.323 -5.439 1.00 0.00 H new ATOM 0 HB2 LYS A 29 8.830 -3.498 -5.795 1.00 0.00 H new ATOM 0 HB3 LYS A 29 8.423 -3.823 -7.468 1.00 0.00 H new ATOM 0 HG2 LYS A 29 8.506 -1.410 -7.980 1.00 0.00 H new ATOM 0 HG3 LYS A 29 8.845 -1.048 -6.300 1.00 0.00 H new ATOM 0 HD2 LYS A 29 10.916 -2.526 -6.498 1.00 0.00 H new ATOM 0 HD3 LYS A 29 10.606 -2.616 -8.221 1.00 0.00 H new ATOM 0 HE2 LYS A 29 10.648 -0.074 -8.281 1.00 0.00 H new ATOM 0 HE3 LYS A 29 11.158 -0.097 -6.604 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 13.045 0.078 -8.091 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 13.109 -1.392 -7.244 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 12.616 -1.369 -8.868 1.00 0.00 H new ATOM 447 N GLY A 30 5.311 -1.229 -7.153 1.00 0.00 N ATOM 448 CA GLY A 30 4.582 -0.494 -8.170 1.00 0.00 C ATOM 449 C GLY A 30 3.082 -0.545 -7.959 1.00 0.00 C ATOM 450 O GLY A 30 2.376 0.424 -8.237 1.00 0.00 O ATOM 0 H GLY A 30 5.156 -0.907 -6.198 1.00 0.00 H new ATOM 0 HA2 GLY A 30 4.911 0.545 -8.169 1.00 0.00 H new ATOM 0 HA3 GLY A 30 4.822 -0.903 -9.152 1.00 0.00 H new ATOM 454 N ASP A 31 2.594 -1.679 -7.467 1.00 0.00 N ATOM 455 CA ASP A 31 1.167 -1.853 -7.220 1.00 0.00 C ATOM 456 C ASP A 31 0.576 -0.614 -6.554 1.00 0.00 C ATOM 457 O ASP A 31 0.957 -0.254 -5.441 1.00 0.00 O ATOM 458 CB ASP A 31 0.927 -3.082 -6.342 1.00 0.00 C ATOM 459 CG ASP A 31 0.782 -4.354 -7.154 1.00 0.00 C ATOM 460 OD1 ASP A 31 1.740 -4.714 -7.869 1.00 0.00 O ATOM 461 OD2 ASP A 31 -0.291 -4.990 -7.075 1.00 0.00 O ATOM 0 H ASP A 31 3.165 -2.491 -7.232 1.00 0.00 H new ATOM 0 HA ASP A 31 0.672 -1.999 -8.180 1.00 0.00 H new ATOM 0 HB2 ASP A 31 1.756 -3.193 -5.643 1.00 0.00 H new ATOM 0 HB3 ASP A 31 0.027 -2.930 -5.747 1.00 0.00 H new ATOM 466 N MET A 32 -0.356 0.035 -7.245 1.00 0.00 N ATOM 467 CA MET A 32 -0.999 1.233 -6.721 1.00 0.00 C ATOM 468 C MET A 32 -2.221 0.872 -5.882 1.00 0.00 C ATOM 469 O MET A 32 -2.644 -0.284 -5.850 1.00 0.00 O ATOM 470 CB MET A 32 -1.409 2.161 -7.867 1.00 0.00 C ATOM 471 CG MET A 32 -0.318 3.134 -8.280 1.00 0.00 C ATOM 472 SD MET A 32 -0.736 4.053 -9.775 1.00 0.00 S ATOM 473 CE MET A 32 0.059 5.623 -9.441 1.00 0.00 C ATOM 0 H MET A 32 -0.682 -0.249 -8.169 1.00 0.00 H new ATOM 0 HA MET A 32 -0.282 1.750 -6.083 1.00 0.00 H new ATOM 0 HB2 MET A 32 -1.692 1.557 -8.729 1.00 0.00 H new ATOM 0 HB3 MET A 32 -2.293 2.724 -7.569 1.00 0.00 H new ATOM 0 HG2 MET A 32 -0.135 3.836 -7.466 1.00 0.00 H new ATOM 0 HG3 MET A 32 0.610 2.586 -8.443 1.00 0.00 H new ATOM 0 HE1 MET A 32 -0.110 6.301 -10.277 1.00 0.00 H new ATOM 0 HE2 MET A 32 -0.359 6.056 -8.532 1.00 0.00 H new ATOM 0 HE3 MET A 32 1.130 5.468 -9.310 1.00 0.00 H new ATOM 483 N PHE A 33 -2.784 1.867 -5.205 1.00 0.00 N ATOM 484 CA PHE A 33 -3.956 1.653 -4.364 1.00 0.00 C ATOM 485 C PHE A 33 -4.777 2.933 -4.239 1.00 0.00 C ATOM 486 O PHE A 33 -4.437 3.961 -4.826 1.00 0.00 O ATOM 487 CB PHE A 33 -3.534 1.166 -2.977 1.00 0.00 C ATOM 488 CG PHE A 33 -2.336 0.261 -2.998 1.00 0.00 C ATOM 489 CD1 PHE A 33 -1.054 0.786 -3.040 1.00 0.00 C ATOM 490 CD2 PHE A 33 -2.491 -1.116 -2.975 1.00 0.00 C ATOM 491 CE1 PHE A 33 0.050 -0.045 -3.061 1.00 0.00 C ATOM 492 CE2 PHE A 33 -1.390 -1.952 -2.995 1.00 0.00 C ATOM 493 CZ PHE A 33 -0.118 -1.415 -3.037 1.00 0.00 C ATOM 0 H PHE A 33 -2.448 2.830 -5.222 1.00 0.00 H new ATOM 0 HA PHE A 33 -4.575 0.890 -4.835 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -3.316 2.029 -2.348 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -4.369 0.639 -2.516 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -0.916 1.857 -3.057 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -3.483 -1.541 -2.941 1.00 0.00 H new ATOM 0 HE1 PHE A 33 1.043 0.377 -3.096 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -1.524 -3.023 -2.978 1.00 0.00 H new ATOM 0 HZ PHE A 33 0.744 -2.066 -3.051 1.00 0.00 H new ATOM 503 N ILE A 34 -5.858 2.863 -3.470 1.00 0.00 N ATOM 504 CA ILE A 34 -6.727 4.016 -3.267 1.00 0.00 C ATOM 505 C ILE A 34 -7.049 4.207 -1.789 1.00 0.00 C ATOM 506 O ILE A 34 -8.072 3.728 -1.299 1.00 0.00 O ATOM 507 CB ILE A 34 -8.043 3.875 -4.055 1.00 0.00 C ATOM 508 CG1 ILE A 34 -7.755 3.735 -5.551 1.00 0.00 C ATOM 509 CG2 ILE A 34 -8.947 5.070 -3.793 1.00 0.00 C ATOM 510 CD1 ILE A 34 -8.929 3.208 -6.345 1.00 0.00 C ATOM 0 H ILE A 34 -6.153 2.020 -2.977 1.00 0.00 H new ATOM 0 HA ILE A 34 -6.186 4.888 -3.634 1.00 0.00 H new ATOM 0 HB ILE A 34 -8.557 2.975 -3.718 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -7.464 4.707 -5.949 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -6.905 3.067 -5.688 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -9.873 4.956 -4.357 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -9.175 5.128 -2.729 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -8.442 5.984 -4.106 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -8.653 3.135 -7.397 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -9.207 2.222 -5.973 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -9.775 3.887 -6.238 1.00 0.00 H new ATOM 522 N VAL A 35 -6.171 4.913 -1.084 1.00 0.00 N ATOM 523 CA VAL A 35 -6.364 5.171 0.338 1.00 0.00 C ATOM 524 C VAL A 35 -7.769 5.693 0.617 1.00 0.00 C ATOM 525 O VAL A 35 -8.163 6.746 0.115 1.00 0.00 O ATOM 526 CB VAL A 35 -5.336 6.189 0.868 1.00 0.00 C ATOM 527 CG1 VAL A 35 -5.558 6.450 2.350 1.00 0.00 C ATOM 528 CG2 VAL A 35 -3.919 5.697 0.611 1.00 0.00 C ATOM 0 H VAL A 35 -5.319 5.316 -1.474 1.00 0.00 H new ATOM 0 HA VAL A 35 -6.224 4.221 0.854 1.00 0.00 H new ATOM 0 HB VAL A 35 -5.473 7.129 0.334 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -4.823 7.171 2.707 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -6.561 6.848 2.503 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -5.450 5.518 2.904 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -3.205 6.428 0.991 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -3.767 4.744 1.118 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -3.768 5.566 -0.461 1.00 0.00 H new ATOM 538 N HIS A 36 -8.522 4.949 1.421 1.00 0.00 N ATOM 539 CA HIS A 36 -9.884 5.337 1.768 1.00 0.00 C ATOM 540 C HIS A 36 -9.961 5.814 3.215 1.00 0.00 C ATOM 541 O HIS A 36 -10.420 6.922 3.490 1.00 0.00 O ATOM 542 CB HIS A 36 -10.841 4.164 1.554 1.00 0.00 C ATOM 543 CG HIS A 36 -11.229 3.960 0.122 1.00 0.00 C ATOM 544 ND1 HIS A 36 -11.979 4.871 -0.591 1.00 0.00 N ATOM 545 CD2 HIS A 36 -10.964 2.943 -0.731 1.00 0.00 C ATOM 546 CE1 HIS A 36 -12.161 4.422 -1.820 1.00 0.00 C ATOM 547 NE2 HIS A 36 -11.554 3.254 -1.931 1.00 0.00 N ATOM 0 H HIS A 36 -8.212 4.074 1.844 1.00 0.00 H new ATOM 0 HA HIS A 36 -10.178 6.160 1.117 1.00 0.00 H new ATOM 0 HB2 HIS A 36 -10.375 3.253 1.929 1.00 0.00 H new ATOM 0 HB3 HIS A 36 -11.742 4.328 2.146 1.00 0.00 H new ATOM 0 HD2 HIS A 36 -10.394 2.053 -0.509 1.00 0.00 H new ATOM 0 HE1 HIS A 36 -12.712 4.924 -2.601 1.00 0.00 H new ATOM 0 HE2 HIS A 36 -11.528 2.677 -2.772 1.00 0.00 H new ATOM 555 N ASN A 37 -9.509 4.970 4.137 1.00 0.00 N ATOM 556 CA ASN A 37 -9.528 5.306 5.556 1.00 0.00 C ATOM 557 C ASN A 37 -8.115 5.328 6.129 1.00 0.00 C ATOM 558 O ASN A 37 -7.304 4.449 5.838 1.00 0.00 O ATOM 559 CB ASN A 37 -10.388 4.302 6.327 1.00 0.00 C ATOM 560 CG ASN A 37 -11.027 4.914 7.558 1.00 0.00 C ATOM 561 OD1 ASN A 37 -11.800 5.868 7.461 1.00 0.00 O ATOM 562 ND2 ASN A 37 -10.707 4.367 8.725 1.00 0.00 N ATOM 0 H ASN A 37 -9.125 4.049 3.927 1.00 0.00 H new ATOM 0 HA ASN A 37 -9.959 6.301 5.663 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -11.167 3.916 5.670 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -9.772 3.453 6.624 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -11.106 4.736 9.588 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -10.062 3.577 8.758 1.00 0.00 H new ATOM 569 N GLU A 38 -7.828 6.337 6.945 1.00 0.00 N ATOM 570 CA GLU A 38 -6.512 6.473 7.558 1.00 0.00 C ATOM 571 C GLU A 38 -6.498 5.862 8.957 1.00 0.00 C ATOM 572 O GLU A 38 -6.975 6.470 9.917 1.00 0.00 O ATOM 573 CB GLU A 38 -6.107 7.947 7.629 1.00 0.00 C ATOM 574 CG GLU A 38 -5.931 8.596 6.267 1.00 0.00 C ATOM 575 CD GLU A 38 -5.181 9.911 6.340 1.00 0.00 C ATOM 576 OE1 GLU A 38 -4.011 9.903 6.778 1.00 0.00 O ATOM 577 OE2 GLU A 38 -5.762 10.949 5.960 1.00 0.00 O ATOM 0 H GLU A 38 -8.489 7.072 7.197 1.00 0.00 H new ATOM 0 HA GLU A 38 -5.794 5.936 6.938 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -6.864 8.496 8.189 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -5.174 8.032 8.186 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -5.394 7.912 5.609 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -6.911 8.765 5.820 1.00 0.00 H new ATOM 584 N LEU A 39 -5.950 4.657 9.064 1.00 0.00 N ATOM 585 CA LEU A 39 -5.874 3.963 10.345 1.00 0.00 C ATOM 586 C LEU A 39 -4.657 4.422 11.142 1.00 0.00 C ATOM 587 O LEU A 39 -3.859 5.228 10.665 1.00 0.00 O ATOM 588 CB LEU A 39 -5.812 2.450 10.124 1.00 0.00 C ATOM 589 CG LEU A 39 -7.115 1.782 9.685 1.00 0.00 C ATOM 590 CD1 LEU A 39 -8.216 2.037 10.703 1.00 0.00 C ATOM 591 CD2 LEU A 39 -7.533 2.282 8.309 1.00 0.00 C ATOM 0 H LEU A 39 -5.552 4.140 8.280 1.00 0.00 H new ATOM 0 HA LEU A 39 -6.771 4.205 10.915 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -5.050 2.244 9.372 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -5.481 1.981 11.050 1.00 0.00 H new ATOM 0 HG LEU A 39 -6.947 0.707 9.624 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -9.136 1.554 10.373 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -7.919 1.630 11.670 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -8.383 3.110 10.797 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -8.462 1.796 8.012 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -7.683 3.361 8.344 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -6.753 2.047 7.584 1.00 0.00 H new ATOM 603 N GLU A 40 -4.521 3.901 12.358 1.00 0.00 N ATOM 604 CA GLU A 40 -3.400 4.257 13.220 1.00 0.00 C ATOM 605 C GLU A 40 -2.332 3.167 13.202 1.00 0.00 C ATOM 606 O GLU A 40 -2.469 2.161 12.506 1.00 0.00 O ATOM 607 CB GLU A 40 -3.884 4.489 14.653 1.00 0.00 C ATOM 608 CG GLU A 40 -4.344 5.913 14.917 1.00 0.00 C ATOM 609 CD GLU A 40 -3.276 6.941 14.595 1.00 0.00 C ATOM 610 OE1 GLU A 40 -2.295 7.035 15.361 1.00 0.00 O ATOM 611 OE2 GLU A 40 -3.422 7.650 13.577 1.00 0.00 O ATOM 0 H GLU A 40 -5.173 3.232 12.768 1.00 0.00 H new ATOM 0 HA GLU A 40 -2.960 5.179 12.839 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -4.706 3.805 14.865 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -3.078 4.242 15.344 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -5.233 6.120 14.321 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -4.632 6.010 15.964 1.00 0.00 H new ATOM 618 N ASP A 41 -1.270 3.376 13.971 1.00 0.00 N ATOM 619 CA ASP A 41 -0.178 2.412 14.045 1.00 0.00 C ATOM 620 C ASP A 41 0.419 2.160 12.664 1.00 0.00 C ATOM 621 O ASP A 41 0.876 1.058 12.365 1.00 0.00 O ATOM 622 CB ASP A 41 -0.672 1.096 14.648 1.00 0.00 C ATOM 623 CG ASP A 41 -1.246 1.275 16.040 1.00 0.00 C ATOM 624 OD1 ASP A 41 -1.772 2.371 16.328 1.00 0.00 O ATOM 625 OD2 ASP A 41 -1.170 0.320 16.840 1.00 0.00 O ATOM 0 H ASP A 41 -1.141 4.204 14.552 1.00 0.00 H new ATOM 0 HA ASP A 41 0.599 2.828 14.686 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -1.433 0.665 13.997 1.00 0.00 H new ATOM 0 HB3 ASP A 41 0.154 0.385 14.687 1.00 0.00 H new ATOM 630 N GLY A 42 0.412 3.192 11.825 1.00 0.00 N ATOM 631 CA GLY A 42 0.955 3.062 10.485 1.00 0.00 C ATOM 632 C GLY A 42 0.177 2.074 9.638 1.00 0.00 C ATOM 633 O GLY A 42 0.686 1.008 9.293 1.00 0.00 O ATOM 0 H GLY A 42 0.040 4.115 12.049 1.00 0.00 H new ATOM 0 HA2 GLY A 42 0.949 4.037 9.998 1.00 0.00 H new ATOM 0 HA3 GLY A 42 1.995 2.743 10.547 1.00 0.00 H new ATOM 637 N TRP A 43 -1.058 2.428 9.305 1.00 0.00 N ATOM 638 CA TRP A 43 -1.908 1.563 8.494 1.00 0.00 C ATOM 639 C TRP A 43 -3.005 2.368 7.805 1.00 0.00 C ATOM 640 O TRP A 43 -3.458 3.388 8.325 1.00 0.00 O ATOM 641 CB TRP A 43 -2.531 0.468 9.361 1.00 0.00 C ATOM 642 CG TRP A 43 -1.528 -0.511 9.892 1.00 0.00 C ATOM 643 CD1 TRP A 43 -0.960 -0.510 11.134 1.00 0.00 C ATOM 644 CD2 TRP A 43 -0.973 -1.633 9.196 1.00 0.00 C ATOM 645 NE1 TRP A 43 -0.085 -1.563 11.252 1.00 0.00 N ATOM 646 CE2 TRP A 43 -0.076 -2.267 10.078 1.00 0.00 C ATOM 647 CE3 TRP A 43 -1.148 -2.164 7.916 1.00 0.00 C ATOM 648 CZ2 TRP A 43 0.643 -3.404 9.717 1.00 0.00 C ATOM 649 CZ3 TRP A 43 -0.434 -3.292 7.559 1.00 0.00 C ATOM 650 CH2 TRP A 43 0.452 -3.903 8.457 1.00 0.00 C ATOM 0 H TRP A 43 -1.494 3.307 9.583 1.00 0.00 H new ATOM 0 HA TRP A 43 -1.286 1.101 7.727 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -3.055 0.931 10.198 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -3.277 -0.069 8.775 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -1.168 0.212 11.910 1.00 0.00 H new ATOM 0 HE1 TRP A 43 0.468 -1.784 12.080 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -1.829 -1.701 7.218 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 1.327 -3.875 10.407 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 -0.561 -3.710 6.571 1.00 0.00 H new ATOM 0 HH2 TRP A 43 0.994 -4.785 8.149 1.00 0.00 H new ATOM 661 N MET A 44 -3.427 1.904 6.634 1.00 0.00 N ATOM 662 CA MET A 44 -4.472 2.581 5.875 1.00 0.00 C ATOM 663 C MET A 44 -5.276 1.584 5.047 1.00 0.00 C ATOM 664 O MET A 44 -4.710 0.728 4.368 1.00 0.00 O ATOM 665 CB MET A 44 -3.860 3.645 4.961 1.00 0.00 C ATOM 666 CG MET A 44 -2.640 4.328 5.555 1.00 0.00 C ATOM 667 SD MET A 44 -2.096 5.746 4.584 1.00 0.00 S ATOM 668 CE MET A 44 -0.656 5.064 3.766 1.00 0.00 C ATOM 0 H MET A 44 -3.061 1.062 6.190 1.00 0.00 H new ATOM 0 HA MET A 44 -5.145 3.064 6.583 1.00 0.00 H new ATOM 0 HB2 MET A 44 -3.582 3.182 4.014 1.00 0.00 H new ATOM 0 HB3 MET A 44 -4.615 4.399 4.738 1.00 0.00 H new ATOM 0 HG2 MET A 44 -2.869 4.654 6.570 1.00 0.00 H new ATOM 0 HG3 MET A 44 -1.825 3.608 5.628 1.00 0.00 H new ATOM 0 HE1 MET A 44 0.020 5.872 3.486 1.00 0.00 H new ATOM 0 HE2 MET A 44 -0.143 4.380 4.442 1.00 0.00 H new ATOM 0 HE3 MET A 44 -0.967 4.524 2.871 1.00 0.00 H new ATOM 678 N TRP A 45 -6.598 1.701 5.109 1.00 0.00 N ATOM 679 CA TRP A 45 -7.479 0.808 4.365 1.00 0.00 C ATOM 680 C TRP A 45 -7.597 1.248 2.910 1.00 0.00 C ATOM 681 O TRP A 45 -8.437 2.082 2.570 1.00 0.00 O ATOM 682 CB TRP A 45 -8.864 0.769 5.013 1.00 0.00 C ATOM 683 CG TRP A 45 -9.755 -0.295 4.446 1.00 0.00 C ATOM 684 CD1 TRP A 45 -10.595 -0.176 3.376 1.00 0.00 C ATOM 685 CD2 TRP A 45 -9.896 -1.637 4.922 1.00 0.00 C ATOM 686 NE1 TRP A 45 -11.249 -1.364 3.157 1.00 0.00 N ATOM 687 CE2 TRP A 45 -10.838 -2.277 4.092 1.00 0.00 C ATOM 688 CE3 TRP A 45 -9.318 -2.363 5.967 1.00 0.00 C ATOM 689 CZ2 TRP A 45 -11.212 -3.605 4.277 1.00 0.00 C ATOM 690 CZ3 TRP A 45 -9.691 -3.681 6.149 1.00 0.00 C ATOM 691 CH2 TRP A 45 -10.630 -4.291 5.308 1.00 0.00 C ATOM 0 H TRP A 45 -7.083 2.405 5.666 1.00 0.00 H new ATOM 0 HA TRP A 45 -7.046 -0.192 4.388 1.00 0.00 H new ATOM 0 HB2 TRP A 45 -8.751 0.606 6.085 1.00 0.00 H new ATOM 0 HB3 TRP A 45 -9.344 1.740 4.887 1.00 0.00 H new ATOM 0 HD1 TRP A 45 -10.726 0.721 2.788 1.00 0.00 H new ATOM 0 HE1 TRP A 45 -11.930 -1.538 2.418 1.00 0.00 H new ATOM 0 HE3 TRP A 45 -8.593 -1.902 6.621 1.00 0.00 H new ATOM 0 HZ2 TRP A 45 -11.936 -4.077 3.630 1.00 0.00 H new ATOM 0 HZ3 TRP A 45 -9.251 -4.251 6.954 1.00 0.00 H new ATOM 0 HH2 TRP A 45 -10.900 -5.323 5.476 1.00 0.00 H new ATOM 702 N VAL A 46 -6.751 0.683 2.055 1.00 0.00 N ATOM 703 CA VAL A 46 -6.762 1.017 0.636 1.00 0.00 C ATOM 704 C VAL A 46 -7.288 -0.146 -0.198 1.00 0.00 C ATOM 705 O VAL A 46 -7.606 -1.211 0.331 1.00 0.00 O ATOM 706 CB VAL A 46 -5.354 1.396 0.137 1.00 0.00 C ATOM 707 CG1 VAL A 46 -4.638 2.257 1.166 1.00 0.00 C ATOM 708 CG2 VAL A 46 -4.547 0.146 -0.179 1.00 0.00 C ATOM 0 H VAL A 46 -6.049 -0.008 2.320 1.00 0.00 H new ATOM 0 HA VAL A 46 -7.424 1.875 0.518 1.00 0.00 H new ATOM 0 HB VAL A 46 -5.456 1.976 -0.780 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -3.645 2.515 0.797 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -5.210 3.169 1.338 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -4.545 1.705 2.101 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -3.556 0.432 -0.530 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -4.452 -0.463 0.720 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -5.054 -0.428 -0.954 1.00 0.00 H new ATOM 718 N THR A 47 -7.378 0.065 -1.508 1.00 0.00 N ATOM 719 CA THR A 47 -7.867 -0.964 -2.416 1.00 0.00 C ATOM 720 C THR A 47 -6.971 -1.085 -3.644 1.00 0.00 C ATOM 721 O THR A 47 -7.010 -0.240 -4.537 1.00 0.00 O ATOM 722 CB THR A 47 -9.309 -0.672 -2.873 1.00 0.00 C ATOM 723 OG1 THR A 47 -10.191 -0.677 -1.745 1.00 0.00 O ATOM 724 CG2 THR A 47 -9.773 -1.703 -3.891 1.00 0.00 C ATOM 0 H THR A 47 -7.118 0.940 -1.963 1.00 0.00 H new ATOM 0 HA THR A 47 -7.852 -1.904 -1.865 1.00 0.00 H new ATOM 0 HB THR A 47 -9.326 0.312 -3.342 1.00 0.00 H new ATOM 0 HG1 THR A 47 -11.105 -0.489 -2.044 1.00 0.00 H new ATOM 0 HG21 THR A 47 -10.794 -1.476 -4.199 1.00 0.00 H new ATOM 0 HG22 THR A 47 -9.117 -1.676 -4.761 1.00 0.00 H new ATOM 0 HG23 THR A 47 -9.741 -2.696 -3.443 1.00 0.00 H new ATOM 732 N ASN A 48 -6.166 -2.141 -3.681 1.00 0.00 N ATOM 733 CA ASN A 48 -5.260 -2.372 -4.801 1.00 0.00 C ATOM 734 C ASN A 48 -5.994 -2.236 -6.131 1.00 0.00 C ATOM 735 O ASN A 48 -7.190 -2.517 -6.225 1.00 0.00 O ATOM 736 CB ASN A 48 -4.627 -3.761 -4.694 1.00 0.00 C ATOM 737 CG ASN A 48 -3.342 -3.874 -5.491 1.00 0.00 C ATOM 738 OD1 ASN A 48 -3.238 -3.349 -6.600 1.00 0.00 O ATOM 739 ND2 ASN A 48 -2.355 -4.561 -4.928 1.00 0.00 N ATOM 0 H ASN A 48 -6.122 -2.850 -2.949 1.00 0.00 H new ATOM 0 HA ASN A 48 -4.474 -1.618 -4.762 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -4.423 -3.984 -3.647 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -5.337 -4.509 -5.047 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -1.466 -4.670 -5.417 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -2.485 -4.979 -4.007 1.00 0.00 H new ATOM 746 N LEU A 49 -5.270 -1.805 -7.159 1.00 0.00 N ATOM 747 CA LEU A 49 -5.852 -1.633 -8.485 1.00 0.00 C ATOM 748 C LEU A 49 -5.623 -2.872 -9.345 1.00 0.00 C ATOM 749 O LEU A 49 -6.346 -3.109 -10.313 1.00 0.00 O ATOM 750 CB LEU A 49 -5.251 -0.404 -9.171 1.00 0.00 C ATOM 751 CG LEU A 49 -5.425 0.926 -8.438 1.00 0.00 C ATOM 752 CD1 LEU A 49 -4.665 2.033 -9.152 1.00 0.00 C ATOM 753 CD2 LEU A 49 -6.900 1.281 -8.319 1.00 0.00 C ATOM 0 H LEU A 49 -4.280 -1.569 -7.099 1.00 0.00 H new ATOM 0 HA LEU A 49 -6.926 -1.488 -8.368 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -4.185 -0.579 -9.316 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -5.697 -0.311 -10.161 1.00 0.00 H new ATOM 0 HG LEU A 49 -5.015 0.821 -7.434 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -4.801 2.972 -8.616 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -3.604 1.784 -9.184 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -5.044 2.138 -10.168 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -7.004 2.231 -7.794 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -7.335 1.367 -9.315 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -7.418 0.500 -7.762 1.00 0.00 H new ATOM 765 N ARG A 50 -4.615 -3.659 -8.984 1.00 0.00 N ATOM 766 CA ARG A 50 -4.292 -4.874 -9.722 1.00 0.00 C ATOM 767 C ARG A 50 -5.153 -6.042 -9.249 1.00 0.00 C ATOM 768 O ARG A 50 -5.799 -6.717 -10.052 1.00 0.00 O ATOM 769 CB ARG A 50 -2.811 -5.218 -9.556 1.00 0.00 C ATOM 770 CG ARG A 50 -2.422 -6.549 -10.178 1.00 0.00 C ATOM 771 CD ARG A 50 -0.912 -6.728 -10.212 1.00 0.00 C ATOM 772 NE ARG A 50 -0.393 -7.239 -8.946 1.00 0.00 N ATOM 773 CZ ARG A 50 -0.461 -8.516 -8.586 1.00 0.00 C ATOM 774 NH1 ARG A 50 -1.022 -9.407 -9.392 1.00 0.00 N ATOM 775 NH2 ARG A 50 0.034 -8.904 -7.418 1.00 0.00 N ATOM 0 H ARG A 50 -4.008 -3.477 -8.185 1.00 0.00 H new ATOM 0 HA ARG A 50 -4.500 -4.695 -10.777 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -2.210 -4.427 -10.005 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -2.568 -5.238 -8.494 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -2.873 -7.363 -9.610 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -2.819 -6.608 -11.191 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -0.646 -7.414 -11.016 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -0.439 -5.773 -10.439 1.00 0.00 H new ATOM 0 HE ARG A 50 0.046 -6.579 -8.303 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -1.403 -9.113 -10.291 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -1.073 -10.387 -9.113 1.00 0.00 H new ATOM 0 HH21 ARG A 50 0.467 -8.222 -6.796 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -0.019 -9.885 -7.142 1.00 0.00 H new ATOM 789 N THR A 51 -5.158 -6.275 -7.940 1.00 0.00 N ATOM 790 CA THR A 51 -5.937 -7.362 -7.361 1.00 0.00 C ATOM 791 C THR A 51 -7.369 -6.922 -7.080 1.00 0.00 C ATOM 792 O THR A 51 -8.262 -7.753 -6.912 1.00 0.00 O ATOM 793 CB THR A 51 -5.303 -7.873 -6.053 1.00 0.00 C ATOM 794 OG1 THR A 51 -5.319 -6.837 -5.064 1.00 0.00 O ATOM 795 CG2 THR A 51 -3.873 -8.334 -6.289 1.00 0.00 C ATOM 0 H THR A 51 -4.631 -5.725 -7.261 1.00 0.00 H new ATOM 0 HA THR A 51 -5.945 -8.170 -8.092 1.00 0.00 H new ATOM 0 HB THR A 51 -5.888 -8.722 -5.699 1.00 0.00 H new ATOM 0 HG1 THR A 51 -4.916 -7.170 -4.235 1.00 0.00 H new ATOM 0 HG21 THR A 51 -3.446 -8.690 -5.351 1.00 0.00 H new ATOM 0 HG22 THR A 51 -3.867 -9.142 -7.021 1.00 0.00 H new ATOM 0 HG23 THR A 51 -3.279 -7.500 -6.664 1.00 0.00 H new ATOM 803 N ASP A 52 -7.582 -5.612 -7.030 1.00 0.00 N ATOM 804 CA ASP A 52 -8.907 -5.061 -6.771 1.00 0.00 C ATOM 805 C ASP A 52 -9.473 -5.600 -5.461 1.00 0.00 C ATOM 806 O ASP A 52 -10.634 -6.002 -5.395 1.00 0.00 O ATOM 807 CB ASP A 52 -9.855 -5.393 -7.925 1.00 0.00 C ATOM 808 CG ASP A 52 -9.684 -4.453 -9.103 1.00 0.00 C ATOM 809 OD1 ASP A 52 -9.277 -3.293 -8.882 1.00 0.00 O ATOM 810 OD2 ASP A 52 -9.956 -4.878 -10.245 1.00 0.00 O ATOM 0 H ASP A 52 -6.853 -4.911 -7.166 1.00 0.00 H new ATOM 0 HA ASP A 52 -8.813 -3.978 -6.687 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -9.679 -6.418 -8.253 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -10.885 -5.344 -7.571 1.00 0.00 H new ATOM 815 N GLU A 53 -8.644 -5.607 -4.422 1.00 0.00 N ATOM 816 CA GLU A 53 -9.062 -6.099 -3.115 1.00 0.00 C ATOM 817 C GLU A 53 -8.659 -5.124 -2.012 1.00 0.00 C ATOM 818 O GLU A 53 -7.665 -4.409 -2.136 1.00 0.00 O ATOM 819 CB GLU A 53 -8.449 -7.475 -2.843 1.00 0.00 C ATOM 820 CG GLU A 53 -9.079 -8.593 -3.657 1.00 0.00 C ATOM 821 CD GLU A 53 -10.377 -9.093 -3.054 1.00 0.00 C ATOM 822 OE1 GLU A 53 -11.193 -8.254 -2.620 1.00 0.00 O ATOM 823 OE2 GLU A 53 -10.576 -10.326 -3.015 1.00 0.00 O ATOM 0 H GLU A 53 -7.679 -5.278 -4.460 1.00 0.00 H new ATOM 0 HA GLU A 53 -10.148 -6.187 -3.119 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -7.381 -7.437 -3.059 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -8.552 -7.706 -1.783 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -9.266 -8.238 -4.671 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -8.376 -9.422 -3.734 1.00 0.00 H new ATOM 830 N GLN A 54 -9.439 -5.102 -0.936 1.00 0.00 N ATOM 831 CA GLN A 54 -9.164 -4.214 0.187 1.00 0.00 C ATOM 832 C GLN A 54 -8.292 -4.908 1.229 1.00 0.00 C ATOM 833 O GLN A 54 -8.305 -6.132 1.347 1.00 0.00 O ATOM 834 CB GLN A 54 -10.472 -3.749 0.828 1.00 0.00 C ATOM 835 CG GLN A 54 -11.456 -3.149 -0.163 1.00 0.00 C ATOM 836 CD GLN A 54 -12.895 -3.268 0.298 1.00 0.00 C ATOM 837 OE1 GLN A 54 -13.405 -4.370 0.501 1.00 0.00 O ATOM 838 NE2 GLN A 54 -13.559 -2.130 0.467 1.00 0.00 N ATOM 0 H GLN A 54 -10.265 -5.688 -0.818 1.00 0.00 H new ATOM 0 HA GLN A 54 -8.624 -3.346 -0.192 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -10.943 -4.596 1.328 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -10.247 -3.010 1.597 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -11.214 -2.098 -0.318 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -11.345 -3.647 -1.126 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -13.097 -1.239 0.287 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -14.531 -2.148 0.777 1.00 0.00 H new ATOM 847 N GLY A 55 -7.535 -4.116 1.983 1.00 0.00 N ATOM 848 CA GLY A 55 -6.667 -4.672 3.004 1.00 0.00 C ATOM 849 C GLY A 55 -5.973 -3.601 3.821 1.00 0.00 C ATOM 850 O GLY A 55 -6.304 -2.419 3.719 1.00 0.00 O ATOM 0 H GLY A 55 -7.508 -3.099 1.905 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -7.253 -5.308 3.667 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -5.918 -5.308 2.533 1.00 0.00 H new ATOM 854 N LEU A 56 -5.008 -4.013 4.635 1.00 0.00 N ATOM 855 CA LEU A 56 -4.265 -3.079 5.475 1.00 0.00 C ATOM 856 C LEU A 56 -2.809 -2.986 5.030 1.00 0.00 C ATOM 857 O LEU A 56 -2.120 -3.999 4.909 1.00 0.00 O ATOM 858 CB LEU A 56 -4.335 -3.514 6.940 1.00 0.00 C ATOM 859 CG LEU A 56 -5.732 -3.567 7.559 1.00 0.00 C ATOM 860 CD1 LEU A 56 -5.761 -4.538 8.729 1.00 0.00 C ATOM 861 CD2 LEU A 56 -6.171 -2.180 8.004 1.00 0.00 C ATOM 0 H LEU A 56 -4.721 -4.987 4.732 1.00 0.00 H new ATOM 0 HA LEU A 56 -4.721 -2.094 5.372 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -3.884 -4.502 7.027 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -3.724 -2.831 7.530 1.00 0.00 H new ATOM 0 HG LEU A 56 -6.431 -3.922 6.801 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -6.763 -4.562 9.157 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -5.491 -5.535 8.381 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -5.050 -4.214 9.489 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -7.167 -2.237 8.442 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -5.470 -1.797 8.746 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -6.191 -1.511 7.144 1.00 0.00 H new ATOM 873 N ILE A 57 -2.347 -1.763 4.789 1.00 0.00 N ATOM 874 CA ILE A 57 -0.972 -1.537 4.360 1.00 0.00 C ATOM 875 C ILE A 57 -0.302 -0.462 5.208 1.00 0.00 C ATOM 876 O ILE A 57 -0.932 0.523 5.593 1.00 0.00 O ATOM 877 CB ILE A 57 -0.906 -1.123 2.878 1.00 0.00 C ATOM 878 CG1 ILE A 57 -1.567 0.242 2.678 1.00 0.00 C ATOM 879 CG2 ILE A 57 -1.573 -2.174 2.003 1.00 0.00 C ATOM 880 CD1 ILE A 57 -1.314 0.842 1.312 1.00 0.00 C ATOM 0 H ILE A 57 -2.905 -0.914 4.884 1.00 0.00 H new ATOM 0 HA ILE A 57 -0.441 -2.480 4.489 1.00 0.00 H new ATOM 0 HB ILE A 57 0.141 -1.046 2.584 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -2.642 0.142 2.828 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -1.201 0.929 3.441 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -1.518 -1.866 0.959 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -1.062 -3.129 2.128 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -2.618 -2.281 2.295 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -1.812 1.809 1.241 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -0.242 0.975 1.166 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -1.705 0.175 0.544 1.00 0.00 H new ATOM 892 N VAL A 58 0.982 -0.657 5.494 1.00 0.00 N ATOM 893 CA VAL A 58 1.740 0.298 6.294 1.00 0.00 C ATOM 894 C VAL A 58 2.220 1.469 5.443 1.00 0.00 C ATOM 895 O VAL A 58 2.508 1.310 4.257 1.00 0.00 O ATOM 896 CB VAL A 58 2.957 -0.370 6.961 1.00 0.00 C ATOM 897 CG1 VAL A 58 4.019 -0.704 5.924 1.00 0.00 C ATOM 898 CG2 VAL A 58 3.526 0.526 8.050 1.00 0.00 C ATOM 0 H VAL A 58 1.518 -1.467 5.184 1.00 0.00 H new ATOM 0 HA VAL A 58 1.067 0.667 7.068 1.00 0.00 H new ATOM 0 HB VAL A 58 2.630 -1.301 7.423 1.00 0.00 H new ATOM 0 HG11 VAL A 58 4.871 -1.175 6.414 1.00 0.00 H new ATOM 0 HG12 VAL A 58 3.603 -1.387 5.184 1.00 0.00 H new ATOM 0 HG13 VAL A 58 4.345 0.211 5.430 1.00 0.00 H new ATOM 0 HG21 VAL A 58 4.385 0.038 8.510 1.00 0.00 H new ATOM 0 HG22 VAL A 58 3.838 1.475 7.614 1.00 0.00 H new ATOM 0 HG23 VAL A 58 2.763 0.708 8.807 1.00 0.00 H new ATOM 908 N GLU A 59 2.304 2.644 6.058 1.00 0.00 N ATOM 909 CA GLU A 59 2.750 3.842 5.356 1.00 0.00 C ATOM 910 C GLU A 59 4.269 3.861 5.221 1.00 0.00 C ATOM 911 O GLU A 59 4.849 4.834 4.738 1.00 0.00 O ATOM 912 CB GLU A 59 2.277 5.097 6.093 1.00 0.00 C ATOM 913 CG GLU A 59 2.905 5.270 7.466 1.00 0.00 C ATOM 914 CD GLU A 59 2.326 6.445 8.229 1.00 0.00 C ATOM 915 OE1 GLU A 59 2.666 7.598 7.889 1.00 0.00 O ATOM 916 OE2 GLU A 59 1.534 6.213 9.166 1.00 0.00 O ATOM 0 H GLU A 59 2.069 2.792 7.040 1.00 0.00 H new ATOM 0 HA GLU A 59 2.315 3.829 4.357 1.00 0.00 H new ATOM 0 HB2 GLU A 59 2.505 5.973 5.485 1.00 0.00 H new ATOM 0 HB3 GLU A 59 1.193 5.058 6.201 1.00 0.00 H new ATOM 0 HG2 GLU A 59 2.759 4.358 8.045 1.00 0.00 H new ATOM 0 HG3 GLU A 59 3.980 5.409 7.355 1.00 0.00 H new ATOM 923 N ASP A 60 4.909 2.779 5.652 1.00 0.00 N ATOM 924 CA ASP A 60 6.361 2.669 5.579 1.00 0.00 C ATOM 925 C ASP A 60 6.783 1.843 4.368 1.00 0.00 C ATOM 926 O ASP A 60 7.963 1.793 4.018 1.00 0.00 O ATOM 927 CB ASP A 60 6.911 2.038 6.859 1.00 0.00 C ATOM 928 CG ASP A 60 6.948 3.016 8.017 1.00 0.00 C ATOM 929 OD1 ASP A 60 5.894 3.218 8.656 1.00 0.00 O ATOM 930 OD2 ASP A 60 8.030 3.577 8.284 1.00 0.00 O ATOM 0 H ASP A 60 4.445 1.966 6.056 1.00 0.00 H new ATOM 0 HA ASP A 60 6.772 3.673 5.473 1.00 0.00 H new ATOM 0 HB2 ASP A 60 6.296 1.180 7.131 1.00 0.00 H new ATOM 0 HB3 ASP A 60 7.917 1.662 6.672 1.00 0.00 H new ATOM 935 N LEU A 61 5.813 1.196 3.732 1.00 0.00 N ATOM 936 CA LEU A 61 6.084 0.371 2.559 1.00 0.00 C ATOM 937 C LEU A 61 5.510 1.010 1.299 1.00 0.00 C ATOM 938 O LEU A 61 5.631 0.464 0.203 1.00 0.00 O ATOM 939 CB LEU A 61 5.496 -1.028 2.749 1.00 0.00 C ATOM 940 CG LEU A 61 6.259 -1.954 3.698 1.00 0.00 C ATOM 941 CD1 LEU A 61 5.380 -3.118 4.128 1.00 0.00 C ATOM 942 CD2 LEU A 61 7.533 -2.460 3.038 1.00 0.00 C ATOM 0 H LEU A 61 4.832 1.226 4.008 1.00 0.00 H new ATOM 0 HA LEU A 61 7.165 0.292 2.443 1.00 0.00 H new ATOM 0 HB2 LEU A 61 4.475 -0.924 3.117 1.00 0.00 H new ATOM 0 HB3 LEU A 61 5.435 -1.510 1.773 1.00 0.00 H new ATOM 0 HG LEU A 61 6.535 -1.386 4.587 1.00 0.00 H new ATOM 0 HD11 LEU A 61 5.939 -3.766 4.803 1.00 0.00 H new ATOM 0 HD12 LEU A 61 4.496 -2.737 4.640 1.00 0.00 H new ATOM 0 HD13 LEU A 61 5.074 -3.686 3.250 1.00 0.00 H new ATOM 0 HD21 LEU A 61 8.063 -3.117 3.727 1.00 0.00 H new ATOM 0 HD22 LEU A 61 7.279 -3.012 2.133 1.00 0.00 H new ATOM 0 HD23 LEU A 61 8.170 -1.614 2.781 1.00 0.00 H new ATOM 954 N VAL A 62 4.885 2.172 1.463 1.00 0.00 N ATOM 955 CA VAL A 62 4.294 2.888 0.338 1.00 0.00 C ATOM 956 C VAL A 62 4.824 4.315 0.256 1.00 0.00 C ATOM 957 O VAL A 62 5.613 4.744 1.097 1.00 0.00 O ATOM 958 CB VAL A 62 2.758 2.928 0.443 1.00 0.00 C ATOM 959 CG1 VAL A 62 2.207 1.541 0.736 1.00 0.00 C ATOM 960 CG2 VAL A 62 2.323 3.921 1.510 1.00 0.00 C ATOM 0 H VAL A 62 4.775 2.638 2.364 1.00 0.00 H new ATOM 0 HA VAL A 62 4.575 2.346 -0.565 1.00 0.00 H new ATOM 0 HB VAL A 62 2.354 3.258 -0.514 1.00 0.00 H new ATOM 0 HG11 VAL A 62 1.120 1.589 0.807 1.00 0.00 H new ATOM 0 HG12 VAL A 62 2.489 0.860 -0.067 1.00 0.00 H new ATOM 0 HG13 VAL A 62 2.616 1.179 1.679 1.00 0.00 H new ATOM 0 HG21 VAL A 62 1.235 3.936 1.571 1.00 0.00 H new ATOM 0 HG22 VAL A 62 2.736 3.624 2.474 1.00 0.00 H new ATOM 0 HG23 VAL A 62 2.686 4.916 1.251 1.00 0.00 H new ATOM 970 N GLU A 63 4.385 5.045 -0.765 1.00 0.00 N ATOM 971 CA GLU A 63 4.816 6.425 -0.957 1.00 0.00 C ATOM 972 C GLU A 63 3.741 7.236 -1.673 1.00 0.00 C ATOM 973 O GLU A 63 3.116 6.758 -2.620 1.00 0.00 O ATOM 974 CB GLU A 63 6.120 6.468 -1.756 1.00 0.00 C ATOM 975 CG GLU A 63 5.948 6.108 -3.222 1.00 0.00 C ATOM 976 CD GLU A 63 7.201 6.365 -4.037 1.00 0.00 C ATOM 977 OE1 GLU A 63 8.303 6.361 -3.450 1.00 0.00 O ATOM 978 OE2 GLU A 63 7.079 6.569 -5.263 1.00 0.00 O ATOM 0 H GLU A 63 3.732 4.704 -1.471 1.00 0.00 H new ATOM 0 HA GLU A 63 4.985 6.866 0.025 1.00 0.00 H new ATOM 0 HB2 GLU A 63 6.547 7.468 -1.684 1.00 0.00 H new ATOM 0 HB3 GLU A 63 6.836 5.782 -1.304 1.00 0.00 H new ATOM 0 HG2 GLU A 63 5.675 5.056 -3.304 1.00 0.00 H new ATOM 0 HG3 GLU A 63 5.123 6.685 -3.640 1.00 0.00 H new ATOM 985 N GLU A 64 3.530 8.466 -1.213 1.00 0.00 N ATOM 986 CA GLU A 64 2.529 9.343 -1.809 1.00 0.00 C ATOM 987 C GLU A 64 3.005 9.873 -3.159 1.00 0.00 C ATOM 988 O GLU A 64 4.093 10.438 -3.268 1.00 0.00 O ATOM 989 CB GLU A 64 2.219 10.511 -0.871 1.00 0.00 C ATOM 990 CG GLU A 64 3.347 11.522 -0.764 1.00 0.00 C ATOM 991 CD GLU A 64 3.090 12.574 0.297 1.00 0.00 C ATOM 992 OE1 GLU A 64 2.468 13.607 -0.029 1.00 0.00 O ATOM 993 OE2 GLU A 64 3.510 12.364 1.454 1.00 0.00 O ATOM 0 H GLU A 64 4.039 8.877 -0.430 1.00 0.00 H new ATOM 0 HA GLU A 64 1.621 8.761 -1.966 1.00 0.00 H new ATOM 0 HB2 GLU A 64 1.320 11.018 -1.221 1.00 0.00 H new ATOM 0 HB3 GLU A 64 1.998 10.120 0.122 1.00 0.00 H new ATOM 0 HG2 GLU A 64 4.276 11.001 -0.535 1.00 0.00 H new ATOM 0 HG3 GLU A 64 3.485 12.011 -1.729 1.00 0.00 H new ATOM 1000 N VAL A 65 2.181 9.685 -4.185 1.00 0.00 N ATOM 1001 CA VAL A 65 2.515 10.144 -5.528 1.00 0.00 C ATOM 1002 C VAL A 65 1.728 11.398 -5.892 1.00 0.00 C ATOM 1003 O VAL A 65 1.849 11.920 -7.000 1.00 0.00 O ATOM 1004 CB VAL A 65 2.238 9.054 -6.579 1.00 0.00 C ATOM 1005 CG1 VAL A 65 3.201 7.889 -6.408 1.00 0.00 C ATOM 1006 CG2 VAL A 65 0.795 8.581 -6.488 1.00 0.00 C ATOM 0 H VAL A 65 1.277 9.218 -4.112 1.00 0.00 H new ATOM 0 HA VAL A 65 3.580 10.375 -5.528 1.00 0.00 H new ATOM 0 HB VAL A 65 2.395 9.481 -7.569 1.00 0.00 H new ATOM 0 HG11 VAL A 65 2.989 7.129 -7.160 1.00 0.00 H new ATOM 0 HG12 VAL A 65 4.225 8.243 -6.528 1.00 0.00 H new ATOM 0 HG13 VAL A 65 3.080 7.459 -5.414 1.00 0.00 H new ATOM 0 HG21 VAL A 65 0.617 7.811 -7.238 1.00 0.00 H new ATOM 0 HG22 VAL A 65 0.608 8.171 -5.495 1.00 0.00 H new ATOM 0 HG23 VAL A 65 0.125 9.422 -6.665 1.00 0.00 H new ATOM 1016 N SER A 66 0.922 11.878 -4.951 1.00 0.00 N ATOM 1017 CA SER A 66 0.111 13.070 -5.174 1.00 0.00 C ATOM 1018 C SER A 66 0.793 14.306 -4.595 1.00 0.00 C ATOM 1019 O SER A 66 1.250 14.299 -3.453 1.00 0.00 O ATOM 1020 CB SER A 66 -1.273 12.896 -4.545 1.00 0.00 C ATOM 1021 OG SER A 66 -2.034 14.086 -4.650 1.00 0.00 O ATOM 0 H SER A 66 0.813 11.460 -4.027 1.00 0.00 H new ATOM 0 HA SER A 66 -0.001 13.208 -6.249 1.00 0.00 H new ATOM 0 HB2 SER A 66 -1.800 12.079 -5.038 1.00 0.00 H new ATOM 0 HB3 SER A 66 -1.167 12.620 -3.496 1.00 0.00 H new ATOM 0 HG SER A 66 -2.914 13.948 -4.242 1.00 0.00 H new ATOM 1027 N GLY A 67 0.856 15.367 -5.393 1.00 0.00 N ATOM 1028 CA GLY A 67 1.483 16.597 -4.945 1.00 0.00 C ATOM 1029 C GLY A 67 0.515 17.763 -4.910 1.00 0.00 C ATOM 1030 O GLY A 67 -0.704 17.585 -4.891 1.00 0.00 O ATOM 0 H GLY A 67 0.484 15.397 -6.342 1.00 0.00 H new ATOM 0 HA2 GLY A 67 1.901 16.446 -3.950 1.00 0.00 H new ATOM 0 HA3 GLY A 67 2.315 16.839 -5.607 1.00 0.00 H new ATOM 1034 N PRO A 68 1.058 18.989 -4.900 1.00 0.00 N ATOM 1035 CA PRO A 68 0.252 20.212 -4.866 1.00 0.00 C ATOM 1036 C PRO A 68 -0.498 20.448 -6.173 1.00 0.00 C ATOM 1037 O PRO A 68 -1.644 20.897 -6.170 1.00 0.00 O ATOM 1038 CB PRO A 68 1.289 21.315 -4.638 1.00 0.00 C ATOM 1039 CG PRO A 68 2.561 20.756 -5.177 1.00 0.00 C ATOM 1040 CD PRO A 68 2.503 19.275 -4.922 1.00 0.00 C ATOM 0 HA PRO A 68 -0.521 20.170 -4.098 1.00 0.00 H new ATOM 0 HB2 PRO A 68 1.010 22.234 -5.154 1.00 0.00 H new ATOM 0 HB3 PRO A 68 1.381 21.559 -3.580 1.00 0.00 H new ATOM 0 HG2 PRO A 68 2.659 20.965 -6.242 1.00 0.00 H new ATOM 0 HG3 PRO A 68 3.424 21.203 -4.684 1.00 0.00 H new ATOM 0 HD2 PRO A 68 3.012 18.712 -5.704 1.00 0.00 H new ATOM 0 HD3 PRO A 68 2.979 19.011 -3.978 1.00 0.00 H new ATOM 1048 N SER A 69 0.156 20.143 -7.289 1.00 0.00 N ATOM 1049 CA SER A 69 -0.448 20.326 -8.604 1.00 0.00 C ATOM 1050 C SER A 69 -1.866 19.763 -8.633 1.00 0.00 C ATOM 1051 O SER A 69 -2.090 18.597 -8.307 1.00 0.00 O ATOM 1052 CB SER A 69 0.404 19.648 -9.678 1.00 0.00 C ATOM 1053 OG SER A 69 -0.153 19.840 -10.967 1.00 0.00 O ATOM 0 H SER A 69 1.104 19.768 -7.309 1.00 0.00 H new ATOM 0 HA SER A 69 -0.496 21.395 -8.810 1.00 0.00 H new ATOM 0 HB2 SER A 69 1.416 20.051 -9.652 1.00 0.00 H new ATOM 0 HB3 SER A 69 0.480 18.581 -9.467 1.00 0.00 H new ATOM 0 HG SER A 69 0.411 19.399 -11.636 1.00 0.00 H new ATOM 1059 N SER A 70 -2.820 20.601 -9.025 1.00 0.00 N ATOM 1060 CA SER A 70 -4.218 20.190 -9.093 1.00 0.00 C ATOM 1061 C SER A 70 -4.523 19.521 -10.430 1.00 0.00 C ATOM 1062 O SER A 70 -4.244 20.076 -11.492 1.00 0.00 O ATOM 1063 CB SER A 70 -5.137 21.396 -8.892 1.00 0.00 C ATOM 1064 OG SER A 70 -5.048 22.293 -9.986 1.00 0.00 O ATOM 0 H SER A 70 -2.651 21.568 -9.300 1.00 0.00 H new ATOM 0 HA SER A 70 -4.398 19.469 -8.296 1.00 0.00 H new ATOM 0 HB2 SER A 70 -6.167 21.057 -8.778 1.00 0.00 H new ATOM 0 HB3 SER A 70 -4.868 21.913 -7.971 1.00 0.00 H new ATOM 0 HG SER A 70 -4.665 21.829 -10.759 1.00 0.00 H new ATOM 1070 N GLY A 71 -5.098 18.324 -10.369 1.00 0.00 N ATOM 1071 CA GLY A 71 -5.431 17.598 -11.580 1.00 0.00 C ATOM 1072 C GLY A 71 -5.187 16.108 -11.449 1.00 0.00 C ATOM 1073 O GLY A 71 -4.297 15.559 -12.098 1.00 0.00 O ATOM 0 H GLY A 71 -5.339 17.844 -9.502 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -6.478 17.771 -11.827 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -4.839 17.988 -12.408 1.00 0.00 H new TER 1077 GLY A 71