USER MOD reduce.3.24.130724 H: found=0, std=0, add=554, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 551 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 56 HIS : no HE2:sc= -21.9! C(o=-27!,f=-23!) USER MOD Set 1.2: A 58 TYR OH : rot 0:sc= -4.67! USER MOD Set 2.1: A 14 HIS : no HE2:sc= -3.44! C(o=-3.6!,f=-5.8!) USER MOD Set 2.2: A 21 GLN : amide:sc= -0.123 K(o=-3.6,f=-8.7!) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 SER OG : rot 44:sc= 1.29 USER MOD Single : A 26 HIS : no HE2:sc= -13.6! C(o=-14!,f=-15!) USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 THR OG1 : rot -118:sc= -0.155 USER MOD Single : A 44 SER OG : rot 38:sc= 0.415 USER MOD Single : A 55 SER OG : rot 180:sc= -0.0164 USER MOD Single : A 64 TYR OH : rot -144:sc= -0.68 USER MOD Single : A 65 HIS : no HE2:sc= -1.08 K(o=-1.1,f=-4.7!) USER MOD Single : A 67 THR OG1 : rot 180:sc= -1.24 USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 81 THR OG1 : rot 140:sc= -1.27 USER MOD Single : A 84 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 8 -4.373 9.884 -9.249 1.00 0.00 N ATOM 2 CA ALA A 8 -3.684 9.362 -10.457 1.00 0.00 C ATOM 3 C ALA A 8 -4.350 8.048 -10.864 1.00 0.00 C ATOM 4 O ALA A 8 -4.856 7.320 -10.037 1.00 0.00 O ATOM 5 CB ALA A 8 -2.202 9.144 -10.143 1.00 0.00 C ATOM 0 HA ALA A 8 -3.759 10.074 -11.279 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -1.695 8.761 -11.029 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -1.750 10.091 -9.847 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -2.104 8.425 -9.330 1.00 0.00 H new ATOM 11 N THR A 9 -4.377 7.750 -12.132 1.00 0.00 N ATOM 12 CA THR A 9 -5.032 6.496 -12.585 1.00 0.00 C ATOM 13 C THR A 9 -4.211 5.298 -12.129 1.00 0.00 C ATOM 14 O THR A 9 -3.006 5.374 -11.971 1.00 0.00 O ATOM 15 CB THR A 9 -5.177 6.494 -14.109 1.00 0.00 C ATOM 16 OG1 THR A 9 -6.300 5.704 -14.472 1.00 0.00 O ATOM 17 CG2 THR A 9 -3.920 5.917 -14.759 1.00 0.00 C ATOM 0 H THR A 9 -3.973 8.322 -12.874 1.00 0.00 H new ATOM 0 HA THR A 9 -6.027 6.433 -12.145 1.00 0.00 H new ATOM 0 HB THR A 9 -5.316 7.518 -14.455 1.00 0.00 H new ATOM 0 HG1 THR A 9 -6.397 5.702 -15.447 1.00 0.00 H new ATOM 0 HG21 THR A 9 -4.036 5.921 -15.843 1.00 0.00 H new ATOM 0 HG22 THR A 9 -3.057 6.524 -14.484 1.00 0.00 H new ATOM 0 HG23 THR A 9 -3.769 4.894 -14.414 1.00 0.00 H new ATOM 25 N LEU A 10 -4.879 4.203 -11.905 1.00 0.00 N ATOM 26 CA LEU A 10 -4.207 2.964 -11.424 1.00 0.00 C ATOM 27 C LEU A 10 -3.609 2.209 -12.612 1.00 0.00 C ATOM 28 O LEU A 10 -4.324 1.603 -13.385 1.00 0.00 O ATOM 29 CB LEU A 10 -5.259 2.054 -10.763 1.00 0.00 C ATOM 30 CG LEU A 10 -5.864 2.712 -9.511 1.00 0.00 C ATOM 31 CD1 LEU A 10 -6.643 3.980 -9.876 1.00 0.00 C ATOM 32 CD2 LEU A 10 -6.821 1.725 -8.843 1.00 0.00 C ATOM 0 H LEU A 10 -5.886 4.112 -12.038 1.00 0.00 H new ATOM 0 HA LEU A 10 -3.422 3.231 -10.716 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -6.051 1.832 -11.478 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -4.800 1.103 -10.491 1.00 0.00 H new ATOM 0 HG LEU A 10 -5.051 2.982 -8.837 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -7.060 4.424 -8.972 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -5.973 4.694 -10.355 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -7.452 3.726 -10.561 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -7.255 2.183 -7.954 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -7.616 1.461 -9.540 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -6.275 0.826 -8.558 1.00 0.00 H new ATOM 44 N VAL A 11 -2.313 2.217 -12.766 1.00 0.00 N ATOM 45 CA VAL A 11 -1.714 1.471 -13.904 1.00 0.00 C ATOM 46 C VAL A 11 -0.749 0.422 -13.357 1.00 0.00 C ATOM 47 O VAL A 11 0.388 0.711 -13.063 1.00 0.00 O ATOM 48 CB VAL A 11 -0.965 2.434 -14.811 1.00 0.00 C ATOM 49 CG1 VAL A 11 -1.099 1.961 -16.261 1.00 0.00 C ATOM 50 CG2 VAL A 11 -1.564 3.836 -14.676 1.00 0.00 C ATOM 0 H VAL A 11 -1.651 2.702 -12.160 1.00 0.00 H new ATOM 0 HA VAL A 11 -2.501 0.982 -14.479 1.00 0.00 H new ATOM 0 HB VAL A 11 0.087 2.463 -14.527 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -0.564 2.647 -16.918 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -0.676 0.961 -16.358 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -2.152 1.938 -16.540 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -1.026 4.526 -15.327 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -2.615 3.812 -14.963 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -1.478 4.171 -13.642 1.00 0.00 H new ATOM 60 N GLY A 12 -1.195 -0.794 -13.208 1.00 0.00 N ATOM 61 CA GLY A 12 -0.295 -1.851 -12.667 1.00 0.00 C ATOM 62 C GLY A 12 -0.060 -2.932 -13.726 1.00 0.00 C ATOM 63 O GLY A 12 -0.673 -3.979 -13.684 1.00 0.00 O ATOM 0 H GLY A 12 -2.140 -1.101 -13.436 1.00 0.00 H new ATOM 0 HA2 GLY A 12 0.656 -1.411 -12.367 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -0.737 -2.295 -11.775 1.00 0.00 H new ATOM 67 N PRO A 13 0.831 -2.647 -14.643 1.00 0.00 N ATOM 68 CA PRO A 13 1.180 -3.584 -15.728 1.00 0.00 C ATOM 69 C PRO A 13 1.997 -4.779 -15.216 1.00 0.00 C ATOM 70 O PRO A 13 2.782 -4.676 -14.284 1.00 0.00 O ATOM 71 CB PRO A 13 1.997 -2.729 -16.699 1.00 0.00 C ATOM 72 CG PRO A 13 2.533 -1.535 -15.878 1.00 0.00 C ATOM 73 CD PRO A 13 1.572 -1.367 -14.689 1.00 0.00 C ATOM 0 HA PRO A 13 0.297 -4.026 -16.190 1.00 0.00 H new ATOM 0 HB2 PRO A 13 2.817 -3.305 -17.129 1.00 0.00 H new ATOM 0 HB3 PRO A 13 1.379 -2.385 -17.529 1.00 0.00 H new ATOM 0 HG2 PRO A 13 3.550 -1.724 -15.533 1.00 0.00 H new ATOM 0 HG3 PRO A 13 2.565 -0.629 -16.484 1.00 0.00 H new ATOM 0 HD2 PRO A 13 2.114 -1.186 -13.761 1.00 0.00 H new ATOM 0 HD3 PRO A 13 0.900 -0.522 -14.836 1.00 0.00 H new ATOM 81 N HIS A 14 1.802 -5.910 -15.848 1.00 0.00 N ATOM 82 CA HIS A 14 2.523 -7.166 -15.472 1.00 0.00 C ATOM 83 C HIS A 14 1.733 -8.364 -15.996 1.00 0.00 C ATOM 84 O HIS A 14 2.286 -9.379 -16.369 1.00 0.00 O ATOM 85 CB HIS A 14 2.642 -7.292 -13.950 1.00 0.00 C ATOM 86 CG HIS A 14 3.190 -8.649 -13.607 1.00 0.00 C ATOM 87 ND1 HIS A 14 2.371 -9.741 -13.374 1.00 0.00 N ATOM 88 CD2 HIS A 14 4.475 -9.105 -13.458 1.00 0.00 C ATOM 89 CE1 HIS A 14 3.167 -10.792 -13.099 1.00 0.00 C ATOM 90 NE2 HIS A 14 4.458 -10.457 -13.137 1.00 0.00 N ATOM 0 H HIS A 14 1.156 -6.017 -16.630 1.00 0.00 H new ATOM 0 HA HIS A 14 3.523 -7.137 -15.905 1.00 0.00 H new ATOM 0 HB2 HIS A 14 3.296 -6.513 -13.559 1.00 0.00 H new ATOM 0 HB3 HIS A 14 1.666 -7.152 -13.484 1.00 0.00 H new ATOM 0 HD1 HIS A 14 1.351 -9.748 -13.405 1.00 0.00 H new ATOM 0 HD2 HIS A 14 5.365 -8.504 -13.573 1.00 0.00 H new ATOM 0 HE1 HIS A 14 2.805 -11.784 -12.875 1.00 0.00 H new ATOM 98 N GLY A 15 0.440 -8.248 -16.007 1.00 0.00 N ATOM 99 CA GLY A 15 -0.420 -9.368 -16.479 1.00 0.00 C ATOM 100 C GLY A 15 -1.040 -10.041 -15.255 1.00 0.00 C ATOM 101 O GLY A 15 -1.394 -9.375 -14.303 1.00 0.00 O ATOM 0 H GLY A 15 -0.067 -7.416 -15.706 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -1.199 -8.995 -17.144 1.00 0.00 H new ATOM 0 HA3 GLY A 15 0.169 -10.086 -17.050 1.00 0.00 H new ATOM 105 N PRO A 16 -1.135 -11.341 -15.302 1.00 0.00 N ATOM 106 CA PRO A 16 -1.689 -12.123 -14.190 1.00 0.00 C ATOM 107 C PRO A 16 -0.643 -12.233 -13.083 1.00 0.00 C ATOM 108 O PRO A 16 0.543 -12.248 -13.342 1.00 0.00 O ATOM 109 CB PRO A 16 -1.980 -13.486 -14.811 1.00 0.00 C ATOM 110 CG PRO A 16 -1.077 -13.592 -16.065 1.00 0.00 C ATOM 111 CD PRO A 16 -0.702 -12.149 -16.458 1.00 0.00 C ATOM 0 HA PRO A 16 -2.579 -11.681 -13.741 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -1.763 -14.289 -14.106 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -3.032 -13.574 -15.081 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -0.185 -14.180 -15.852 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -1.601 -14.092 -16.879 1.00 0.00 H new ATOM 0 HD2 PRO A 16 0.369 -12.049 -16.636 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -1.208 -11.840 -17.373 1.00 0.00 H new ATOM 119 N LEU A 17 -1.063 -12.299 -11.855 1.00 0.00 N ATOM 120 CA LEU A 17 -0.076 -12.393 -10.744 1.00 0.00 C ATOM 121 C LEU A 17 -0.059 -13.814 -10.191 1.00 0.00 C ATOM 122 O LEU A 17 -0.989 -14.253 -9.547 1.00 0.00 O ATOM 123 CB LEU A 17 -0.455 -11.416 -9.625 1.00 0.00 C ATOM 124 CG LEU A 17 0.155 -10.036 -9.898 1.00 0.00 C ATOM 125 CD1 LEU A 17 1.683 -10.141 -9.972 1.00 0.00 C ATOM 126 CD2 LEU A 17 -0.386 -9.492 -11.222 1.00 0.00 C ATOM 0 H LEU A 17 -2.042 -12.292 -11.570 1.00 0.00 H new ATOM 0 HA LEU A 17 0.913 -12.138 -11.125 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -1.540 -11.335 -9.555 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -0.101 -11.795 -8.666 1.00 0.00 H new ATOM 0 HG LEU A 17 -0.115 -9.360 -9.087 1.00 0.00 H new ATOM 0 HD11 LEU A 17 2.106 -9.156 -10.166 1.00 0.00 H new ATOM 0 HD12 LEU A 17 2.068 -10.521 -9.026 1.00 0.00 H new ATOM 0 HD13 LEU A 17 1.962 -10.821 -10.777 1.00 0.00 H new ATOM 0 HD21 LEU A 17 0.047 -8.511 -11.416 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -0.120 -10.173 -12.031 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -1.471 -9.404 -11.163 1.00 0.00 H new ATOM 138 N ALA A 18 0.998 -14.535 -10.425 1.00 0.00 N ATOM 139 CA ALA A 18 1.077 -15.920 -9.892 1.00 0.00 C ATOM 140 C ALA A 18 1.694 -15.864 -8.499 1.00 0.00 C ATOM 141 O ALA A 18 2.322 -14.891 -8.133 1.00 0.00 O ATOM 142 CB ALA A 18 1.956 -16.775 -10.806 1.00 0.00 C ATOM 0 H ALA A 18 1.809 -14.226 -10.961 1.00 0.00 H new ATOM 0 HA ALA A 18 0.081 -16.360 -9.846 1.00 0.00 H new ATOM 0 HB1 ALA A 18 2.012 -17.790 -10.412 1.00 0.00 H new ATOM 0 HB2 ALA A 18 1.526 -16.798 -11.807 1.00 0.00 H new ATOM 0 HB3 ALA A 18 2.958 -16.348 -10.851 1.00 0.00 H new ATOM 148 N SER A 19 1.517 -16.887 -7.712 1.00 0.00 N ATOM 149 CA SER A 19 2.099 -16.872 -6.343 1.00 0.00 C ATOM 150 C SER A 19 3.613 -16.676 -6.437 1.00 0.00 C ATOM 151 O SER A 19 4.323 -17.497 -6.981 1.00 0.00 O ATOM 152 CB SER A 19 1.802 -18.193 -5.637 1.00 0.00 C ATOM 153 OG SER A 19 2.639 -18.302 -4.495 1.00 0.00 O ATOM 0 H SER A 19 0.997 -17.730 -7.956 1.00 0.00 H new ATOM 0 HA SER A 19 1.657 -16.054 -5.774 1.00 0.00 H new ATOM 0 HB2 SER A 19 0.754 -18.235 -5.342 1.00 0.00 H new ATOM 0 HB3 SER A 19 1.976 -19.030 -6.314 1.00 0.00 H new ATOM 0 HG SER A 19 2.660 -17.444 -4.022 1.00 0.00 H new ATOM 159 N GLY A 20 4.110 -15.592 -5.910 1.00 0.00 N ATOM 160 CA GLY A 20 5.576 -15.339 -5.967 1.00 0.00 C ATOM 161 C GLY A 20 5.913 -14.569 -7.245 1.00 0.00 C ATOM 162 O GLY A 20 6.856 -14.887 -7.941 1.00 0.00 O ATOM 0 H GLY A 20 3.563 -14.870 -5.442 1.00 0.00 H new ATOM 0 HA2 GLY A 20 5.891 -14.769 -5.093 1.00 0.00 H new ATOM 0 HA3 GLY A 20 6.120 -16.283 -5.945 1.00 0.00 H new ATOM 166 N GLN A 21 5.144 -13.561 -7.564 1.00 0.00 N ATOM 167 CA GLN A 21 5.424 -12.779 -8.806 1.00 0.00 C ATOM 168 C GLN A 21 5.667 -11.303 -8.471 1.00 0.00 C ATOM 169 O GLN A 21 5.170 -10.775 -7.489 1.00 0.00 O ATOM 170 CB GLN A 21 4.235 -12.887 -9.761 1.00 0.00 C ATOM 171 CG GLN A 21 4.542 -13.928 -10.841 1.00 0.00 C ATOM 172 CD GLN A 21 5.392 -13.288 -11.940 1.00 0.00 C ATOM 173 OE1 GLN A 21 6.322 -12.558 -11.659 1.00 0.00 O ATOM 174 NE2 GLN A 21 5.111 -13.531 -13.191 1.00 0.00 N ATOM 0 H GLN A 21 4.339 -13.246 -7.023 1.00 0.00 H new ATOM 0 HA GLN A 21 6.318 -13.188 -9.277 1.00 0.00 H new ATOM 0 HB2 GLN A 21 3.338 -13.171 -9.211 1.00 0.00 H new ATOM 0 HB3 GLN A 21 4.034 -11.919 -10.220 1.00 0.00 H new ATOM 0 HG2 GLN A 21 5.071 -14.775 -10.404 1.00 0.00 H new ATOM 0 HG3 GLN A 21 3.614 -14.314 -11.263 1.00 0.00 H new ATOM 0 HE21 GLN A 21 4.331 -14.143 -13.429 1.00 0.00 H new ATOM 0 HE22 GLN A 21 5.672 -13.108 -13.931 1.00 0.00 H new ATOM 183 N LEU A 22 6.429 -10.635 -9.301 1.00 0.00 N ATOM 184 CA LEU A 22 6.726 -9.190 -9.080 1.00 0.00 C ATOM 185 C LEU A 22 5.955 -8.364 -10.110 1.00 0.00 C ATOM 186 O LEU A 22 6.379 -8.213 -11.238 1.00 0.00 O ATOM 187 CB LEU A 22 8.236 -8.954 -9.261 1.00 0.00 C ATOM 188 CG LEU A 22 8.649 -7.560 -8.747 1.00 0.00 C ATOM 189 CD1 LEU A 22 8.038 -6.459 -9.620 1.00 0.00 C ATOM 190 CD2 LEU A 22 8.178 -7.372 -7.305 1.00 0.00 C ATOM 0 H LEU A 22 6.862 -11.037 -10.132 1.00 0.00 H new ATOM 0 HA LEU A 22 6.428 -8.895 -8.074 1.00 0.00 H new ATOM 0 HB2 LEU A 22 8.793 -9.722 -8.725 1.00 0.00 H new ATOM 0 HB3 LEU A 22 8.497 -9.048 -10.315 1.00 0.00 H new ATOM 0 HG LEU A 22 9.736 -7.490 -8.792 1.00 0.00 H new ATOM 0 HD11 LEU A 22 8.342 -5.483 -9.240 1.00 0.00 H new ATOM 0 HD12 LEU A 22 8.386 -6.573 -10.647 1.00 0.00 H new ATOM 0 HD13 LEU A 22 6.951 -6.536 -9.595 1.00 0.00 H new ATOM 0 HD21 LEU A 22 8.475 -6.385 -6.951 1.00 0.00 H new ATOM 0 HD22 LEU A 22 7.093 -7.462 -7.262 1.00 0.00 H new ATOM 0 HD23 LEU A 22 8.631 -8.135 -6.672 1.00 0.00 H new ATOM 202 N ALA A 23 4.837 -7.812 -9.732 1.00 0.00 N ATOM 203 CA ALA A 23 4.065 -6.980 -10.696 1.00 0.00 C ATOM 204 C ALA A 23 4.705 -5.597 -10.746 1.00 0.00 C ATOM 205 O ALA A 23 5.316 -5.167 -9.793 1.00 0.00 O ATOM 206 CB ALA A 23 2.618 -6.843 -10.228 1.00 0.00 C ATOM 0 H ALA A 23 4.426 -7.900 -8.803 1.00 0.00 H new ATOM 0 HA ALA A 23 4.075 -7.448 -11.680 1.00 0.00 H new ATOM 0 HB1 ALA A 23 2.062 -6.233 -10.940 1.00 0.00 H new ATOM 0 HB2 ALA A 23 2.162 -7.831 -10.162 1.00 0.00 H new ATOM 0 HB3 ALA A 23 2.596 -6.367 -9.247 1.00 0.00 H new ATOM 212 N ALA A 24 4.575 -4.881 -11.824 1.00 0.00 N ATOM 213 CA ALA A 24 5.189 -3.530 -11.862 1.00 0.00 C ATOM 214 C ALA A 24 4.069 -2.505 -11.993 1.00 0.00 C ATOM 215 O ALA A 24 3.233 -2.606 -12.857 1.00 0.00 O ATOM 216 CB ALA A 24 6.159 -3.444 -13.038 1.00 0.00 C ATOM 0 H ALA A 24 4.078 -5.167 -12.668 1.00 0.00 H new ATOM 0 HA ALA A 24 5.752 -3.331 -10.950 1.00 0.00 H new ATOM 0 HB1 ALA A 24 6.610 -2.452 -13.066 1.00 0.00 H new ATOM 0 HB2 ALA A 24 6.941 -4.195 -12.921 1.00 0.00 H new ATOM 0 HB3 ALA A 24 5.620 -3.624 -13.968 1.00 0.00 H new ATOM 222 N PHE A 25 4.012 -1.554 -11.104 1.00 0.00 N ATOM 223 CA PHE A 25 2.902 -0.561 -11.146 1.00 0.00 C ATOM 224 C PHE A 25 3.393 0.843 -11.502 1.00 0.00 C ATOM 225 O PHE A 25 4.572 1.133 -11.538 1.00 0.00 O ATOM 226 CB PHE A 25 2.266 -0.461 -9.761 1.00 0.00 C ATOM 227 CG PHE A 25 1.444 -1.680 -9.435 1.00 0.00 C ATOM 228 CD1 PHE A 25 2.023 -2.958 -9.423 1.00 0.00 C ATOM 229 CD2 PHE A 25 0.090 -1.518 -9.118 1.00 0.00 C ATOM 230 CE1 PHE A 25 1.238 -4.071 -9.095 1.00 0.00 C ATOM 231 CE2 PHE A 25 -0.691 -2.633 -8.793 1.00 0.00 C ATOM 232 CZ PHE A 25 -0.116 -3.909 -8.781 1.00 0.00 C ATOM 0 H PHE A 25 4.686 -1.421 -10.350 1.00 0.00 H new ATOM 0 HA PHE A 25 2.199 -0.904 -11.906 1.00 0.00 H new ATOM 0 HB2 PHE A 25 3.047 -0.337 -9.010 1.00 0.00 H new ATOM 0 HB3 PHE A 25 1.635 0.426 -9.714 1.00 0.00 H new ATOM 0 HD1 PHE A 25 3.068 -3.083 -9.665 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -0.352 -0.533 -9.124 1.00 0.00 H new ATOM 0 HE1 PHE A 25 1.679 -5.057 -9.084 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -1.736 -2.509 -8.552 1.00 0.00 H new ATOM 0 HZ PHE A 25 -0.718 -4.770 -8.529 1.00 0.00 H new ATOM 242 N HIS A 26 2.450 1.721 -11.705 1.00 0.00 N ATOM 243 CA HIS A 26 2.741 3.144 -11.999 1.00 0.00 C ATOM 244 C HIS A 26 1.393 3.877 -12.021 1.00 0.00 C ATOM 245 O HIS A 26 0.364 3.304 -12.339 1.00 0.00 O ATOM 246 CB HIS A 26 3.516 3.298 -13.321 1.00 0.00 C ATOM 247 CG HIS A 26 2.603 3.315 -14.513 1.00 0.00 C ATOM 248 ND1 HIS A 26 1.760 4.379 -14.794 1.00 0.00 N ATOM 249 CD2 HIS A 26 2.440 2.425 -15.544 1.00 0.00 C ATOM 250 CE1 HIS A 26 1.136 4.103 -15.953 1.00 0.00 C ATOM 251 NE2 HIS A 26 1.517 2.927 -16.453 1.00 0.00 N ATOM 0 H HIS A 26 1.455 1.497 -11.677 1.00 0.00 H new ATOM 0 HA HIS A 26 3.388 3.577 -11.236 1.00 0.00 H new ATOM 0 HB2 HIS A 26 4.095 4.221 -13.296 1.00 0.00 H new ATOM 0 HB3 HIS A 26 4.227 2.478 -13.421 1.00 0.00 H new ATOM 0 HD1 HIS A 26 1.636 5.217 -14.226 1.00 0.00 H new ATOM 0 HD2 HIS A 26 2.951 1.478 -15.635 1.00 0.00 H new ATOM 0 HE1 HIS A 26 0.414 4.755 -16.422 1.00 0.00 H new ATOM 259 N ILE A 27 1.371 5.119 -11.641 1.00 0.00 N ATOM 260 CA ILE A 27 0.078 5.858 -11.607 1.00 0.00 C ATOM 261 C ILE A 27 0.096 6.923 -12.704 1.00 0.00 C ATOM 262 O ILE A 27 1.147 7.308 -13.175 1.00 0.00 O ATOM 263 CB ILE A 27 -0.117 6.503 -10.224 1.00 0.00 C ATOM 264 CG1 ILE A 27 0.797 5.839 -9.183 1.00 0.00 C ATOM 265 CG2 ILE A 27 -1.566 6.311 -9.779 1.00 0.00 C ATOM 266 CD1 ILE A 27 -0.004 4.807 -8.385 1.00 0.00 C ATOM 0 H ILE A 27 2.189 5.656 -11.352 1.00 0.00 H new ATOM 0 HA ILE A 27 -0.753 5.174 -11.782 1.00 0.00 H new ATOM 0 HB ILE A 27 0.129 7.562 -10.300 1.00 0.00 H new ATOM 0 HG12 ILE A 27 1.640 5.357 -9.678 1.00 0.00 H new ATOM 0 HG13 ILE A 27 1.210 6.593 -8.512 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -1.709 6.767 -8.799 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -2.234 6.783 -10.500 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -1.790 5.246 -9.720 1.00 0.00 H new ATOM 0 HD11 ILE A 27 0.644 4.336 -7.646 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -0.832 5.302 -7.878 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -0.395 4.047 -9.062 1.00 0.00 H new ATOM 278 N ALA A 28 -1.047 7.376 -13.153 1.00 0.00 N ATOM 279 CA ALA A 28 -1.036 8.384 -14.264 1.00 0.00 C ATOM 280 C ALA A 28 -1.956 9.579 -13.983 1.00 0.00 C ATOM 281 O ALA A 28 -3.148 9.439 -13.831 1.00 0.00 O ATOM 282 CB ALA A 28 -1.505 7.704 -15.546 1.00 0.00 C ATOM 0 H ALA A 28 -1.968 7.102 -12.811 1.00 0.00 H new ATOM 0 HA ALA A 28 -0.018 8.761 -14.357 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -1.502 8.426 -16.363 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -0.834 6.880 -15.787 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -2.515 7.320 -15.405 1.00 0.00 H new ATOM 288 N ALA A 29 -1.402 10.764 -13.972 1.00 0.00 N ATOM 289 CA ALA A 29 -2.222 11.995 -13.757 1.00 0.00 C ATOM 290 C ALA A 29 -1.280 13.199 -13.604 1.00 0.00 C ATOM 291 O ALA A 29 -1.185 14.013 -14.503 1.00 0.00 O ATOM 292 CB ALA A 29 -3.108 11.846 -12.521 1.00 0.00 C ATOM 0 H ALA A 29 -0.405 10.933 -14.104 1.00 0.00 H new ATOM 0 HA ALA A 29 -2.875 12.149 -14.616 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -3.696 12.753 -12.383 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -3.778 10.996 -12.654 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -2.483 11.682 -11.643 1.00 0.00 H new ATOM 298 N PRO A 30 -0.585 13.277 -12.492 1.00 0.00 N ATOM 299 CA PRO A 30 0.370 14.368 -12.253 1.00 0.00 C ATOM 300 C PRO A 30 1.645 14.085 -13.043 1.00 0.00 C ATOM 301 O PRO A 30 2.632 13.639 -12.500 1.00 0.00 O ATOM 302 CB PRO A 30 0.628 14.307 -10.748 1.00 0.00 C ATOM 303 CG PRO A 30 0.276 12.867 -10.312 1.00 0.00 C ATOM 304 CD PRO A 30 -0.673 12.304 -11.381 1.00 0.00 C ATOM 0 HA PRO A 30 0.011 15.350 -12.562 1.00 0.00 H new ATOM 0 HB2 PRO A 30 1.668 14.540 -10.521 1.00 0.00 H new ATOM 0 HB3 PRO A 30 0.015 15.036 -10.217 1.00 0.00 H new ATOM 0 HG2 PRO A 30 1.175 12.256 -10.232 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -0.200 12.865 -9.331 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -0.368 11.307 -11.699 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -1.692 12.220 -11.004 1.00 0.00 H new ATOM 312 N LEU A 31 1.608 14.317 -14.329 1.00 0.00 N ATOM 313 CA LEU A 31 2.795 14.047 -15.201 1.00 0.00 C ATOM 314 C LEU A 31 4.112 14.349 -14.468 1.00 0.00 C ATOM 315 O LEU A 31 4.966 13.488 -14.376 1.00 0.00 O ATOM 316 CB LEU A 31 2.700 14.906 -16.464 1.00 0.00 C ATOM 317 CG LEU A 31 2.396 14.008 -17.663 1.00 0.00 C ATOM 318 CD1 LEU A 31 0.886 13.787 -17.767 1.00 0.00 C ATOM 319 CD2 LEU A 31 2.904 14.680 -18.941 1.00 0.00 C ATOM 0 H LEU A 31 0.795 14.687 -14.821 1.00 0.00 H new ATOM 0 HA LEU A 31 2.793 12.989 -15.465 1.00 0.00 H new ATOM 0 HB2 LEU A 31 1.918 15.657 -16.349 1.00 0.00 H new ATOM 0 HB3 LEU A 31 3.635 15.442 -16.624 1.00 0.00 H new ATOM 0 HG LEU A 31 2.893 13.047 -17.534 1.00 0.00 H new ATOM 0 HD11 LEU A 31 0.670 13.147 -18.622 1.00 0.00 H new ATOM 0 HD12 LEU A 31 0.524 13.310 -16.856 1.00 0.00 H new ATOM 0 HD13 LEU A 31 0.386 14.747 -17.897 1.00 0.00 H new ATOM 0 HD21 LEU A 31 2.689 14.042 -19.798 1.00 0.00 H new ATOM 0 HD22 LEU A 31 2.406 15.641 -19.070 1.00 0.00 H new ATOM 0 HD23 LEU A 31 3.980 14.837 -18.867 1.00 0.00 H new ATOM 331 N PRO A 32 4.249 15.555 -13.974 1.00 0.00 N ATOM 332 CA PRO A 32 5.466 15.974 -13.254 1.00 0.00 C ATOM 333 C PRO A 32 5.454 15.478 -11.801 1.00 0.00 C ATOM 334 O PRO A 32 5.243 16.244 -10.890 1.00 0.00 O ATOM 335 CB PRO A 32 5.393 17.503 -13.300 1.00 0.00 C ATOM 336 CG PRO A 32 3.904 17.866 -13.516 1.00 0.00 C ATOM 337 CD PRO A 32 3.222 16.611 -14.087 1.00 0.00 C ATOM 0 HA PRO A 32 6.376 15.570 -13.697 1.00 0.00 H new ATOM 0 HB2 PRO A 32 5.768 17.937 -12.373 1.00 0.00 H new ATOM 0 HB3 PRO A 32 6.009 17.897 -14.108 1.00 0.00 H new ATOM 0 HG2 PRO A 32 3.439 18.166 -12.577 1.00 0.00 H new ATOM 0 HG3 PRO A 32 3.806 18.706 -14.203 1.00 0.00 H new ATOM 0 HD2 PRO A 32 2.324 16.355 -13.524 1.00 0.00 H new ATOM 0 HD3 PRO A 32 2.917 16.760 -15.123 1.00 0.00 H new ATOM 345 N VAL A 33 5.696 14.210 -11.575 1.00 0.00 N ATOM 346 CA VAL A 33 5.714 13.693 -10.171 1.00 0.00 C ATOM 347 C VAL A 33 7.161 13.428 -9.753 1.00 0.00 C ATOM 348 O VAL A 33 7.999 13.100 -10.570 1.00 0.00 O ATOM 349 CB VAL A 33 4.914 12.392 -10.075 1.00 0.00 C ATOM 350 CG1 VAL A 33 5.282 11.658 -8.784 1.00 0.00 C ATOM 351 CG2 VAL A 33 3.426 12.719 -10.049 1.00 0.00 C ATOM 0 H VAL A 33 5.881 13.514 -12.297 1.00 0.00 H new ATOM 0 HA VAL A 33 5.264 14.435 -9.512 1.00 0.00 H new ATOM 0 HB VAL A 33 5.144 11.762 -10.934 1.00 0.00 H new ATOM 0 HG11 VAL A 33 4.712 10.732 -8.717 1.00 0.00 H new ATOM 0 HG12 VAL A 33 6.348 11.429 -8.787 1.00 0.00 H new ATOM 0 HG13 VAL A 33 5.049 12.290 -7.927 1.00 0.00 H new ATOM 0 HG21 VAL A 33 2.852 11.795 -9.981 1.00 0.00 H new ATOM 0 HG22 VAL A 33 3.207 13.347 -9.186 1.00 0.00 H new ATOM 0 HG23 VAL A 33 3.154 13.249 -10.962 1.00 0.00 H new ATOM 361 N THR A 34 7.464 13.573 -8.493 1.00 0.00 N ATOM 362 CA THR A 34 8.862 13.333 -8.033 1.00 0.00 C ATOM 363 C THR A 34 8.921 12.128 -7.098 1.00 0.00 C ATOM 364 O THR A 34 9.925 11.448 -7.014 1.00 0.00 O ATOM 365 CB THR A 34 9.375 14.573 -7.300 1.00 0.00 C ATOM 366 OG1 THR A 34 8.390 15.011 -6.375 1.00 0.00 O ATOM 367 CG2 THR A 34 9.658 15.685 -8.311 1.00 0.00 C ATOM 0 H THR A 34 6.806 13.847 -7.763 1.00 0.00 H new ATOM 0 HA THR A 34 9.487 13.131 -8.903 1.00 0.00 H new ATOM 0 HB THR A 34 10.294 14.328 -6.767 1.00 0.00 H new ATOM 0 HG1 THR A 34 8.716 15.805 -5.902 1.00 0.00 H new ATOM 0 HG21 THR A 34 10.024 16.568 -7.787 1.00 0.00 H new ATOM 0 HG22 THR A 34 10.412 15.347 -9.022 1.00 0.00 H new ATOM 0 HG23 THR A 34 8.741 15.933 -8.845 1.00 0.00 H new ATOM 375 N ALA A 35 7.867 11.856 -6.392 1.00 0.00 N ATOM 376 CA ALA A 35 7.881 10.694 -5.461 1.00 0.00 C ATOM 377 C ALA A 35 6.453 10.249 -5.153 1.00 0.00 C ATOM 378 O ALA A 35 5.546 11.050 -5.018 1.00 0.00 O ATOM 379 CB ALA A 35 8.576 11.098 -4.162 1.00 0.00 C ATOM 0 H ALA A 35 6.995 12.385 -6.416 1.00 0.00 H new ATOM 0 HA ALA A 35 8.417 9.868 -5.929 1.00 0.00 H new ATOM 0 HB1 ALA A 35 8.589 10.250 -3.477 1.00 0.00 H new ATOM 0 HB2 ALA A 35 9.599 11.406 -4.377 1.00 0.00 H new ATOM 0 HB3 ALA A 35 8.037 11.927 -3.703 1.00 0.00 H new ATOM 385 N THR A 36 6.261 8.966 -5.031 1.00 0.00 N ATOM 386 CA THR A 36 4.909 8.430 -4.720 1.00 0.00 C ATOM 387 C THR A 36 5.024 7.460 -3.550 1.00 0.00 C ATOM 388 O THR A 36 6.065 6.880 -3.316 1.00 0.00 O ATOM 389 CB THR A 36 4.361 7.673 -5.929 1.00 0.00 C ATOM 390 OG1 THR A 36 3.195 6.958 -5.549 1.00 0.00 O ATOM 391 CG2 THR A 36 5.415 6.690 -6.431 1.00 0.00 C ATOM 0 H THR A 36 6.990 8.260 -5.135 1.00 0.00 H new ATOM 0 HA THR A 36 4.240 9.254 -4.471 1.00 0.00 H new ATOM 0 HB THR A 36 4.114 8.380 -6.721 1.00 0.00 H new ATOM 0 HG1 THR A 36 3.345 5.998 -5.673 1.00 0.00 H new ATOM 0 HG21 THR A 36 5.026 6.149 -7.294 1.00 0.00 H new ATOM 0 HG22 THR A 36 6.313 7.236 -6.720 1.00 0.00 H new ATOM 0 HG23 THR A 36 5.659 5.982 -5.639 1.00 0.00 H new ATOM 399 N ARG A 37 3.966 7.263 -2.825 1.00 0.00 N ATOM 400 CA ARG A 37 4.020 6.313 -1.688 1.00 0.00 C ATOM 401 C ARG A 37 2.952 5.247 -1.891 1.00 0.00 C ATOM 402 O ARG A 37 1.778 5.483 -1.691 1.00 0.00 O ATOM 403 CB ARG A 37 3.773 7.051 -0.373 1.00 0.00 C ATOM 404 CG ARG A 37 4.933 6.775 0.587 1.00 0.00 C ATOM 405 CD ARG A 37 4.597 7.340 1.968 1.00 0.00 C ATOM 406 NE ARG A 37 4.561 8.828 1.898 1.00 0.00 N ATOM 407 CZ ARG A 37 4.314 9.533 2.970 1.00 0.00 C ATOM 408 NH1 ARG A 37 3.534 9.057 3.905 1.00 0.00 N ATOM 409 NH2 ARG A 37 4.847 10.716 3.108 1.00 0.00 N ATOM 0 H ARG A 37 3.065 7.719 -2.970 1.00 0.00 H new ATOM 0 HA ARG A 37 5.005 5.849 -1.645 1.00 0.00 H new ATOM 0 HB2 ARG A 37 3.683 8.122 -0.555 1.00 0.00 H new ATOM 0 HB3 ARG A 37 2.833 6.723 0.070 1.00 0.00 H new ATOM 0 HG2 ARG A 37 5.115 5.703 0.656 1.00 0.00 H new ATOM 0 HG3 ARG A 37 5.848 7.230 0.209 1.00 0.00 H new ATOM 0 HD2 ARG A 37 3.634 6.957 2.305 1.00 0.00 H new ATOM 0 HD3 ARG A 37 5.341 7.017 2.696 1.00 0.00 H new ATOM 0 HE ARG A 37 4.730 9.298 1.009 1.00 0.00 H new ATOM 0 HH11 ARG A 37 3.116 8.133 3.799 1.00 0.00 H new ATOM 0 HH12 ARG A 37 3.343 9.610 4.741 1.00 0.00 H new ATOM 0 HH21 ARG A 37 5.456 11.089 2.380 1.00 0.00 H new ATOM 0 HH22 ARG A 37 4.655 11.267 3.944 1.00 0.00 H new ATOM 423 N TRP A 38 3.347 4.074 -2.293 1.00 0.00 N ATOM 424 CA TRP A 38 2.352 2.992 -2.514 1.00 0.00 C ATOM 425 C TRP A 38 2.143 2.227 -1.215 1.00 0.00 C ATOM 426 O TRP A 38 2.764 2.497 -0.206 1.00 0.00 O ATOM 427 CB TRP A 38 2.865 1.991 -3.549 1.00 0.00 C ATOM 428 CG TRP A 38 3.136 2.646 -4.860 1.00 0.00 C ATOM 429 CD1 TRP A 38 4.099 3.563 -5.103 1.00 0.00 C ATOM 430 CD2 TRP A 38 2.463 2.414 -6.125 1.00 0.00 C ATOM 431 NE1 TRP A 38 4.060 3.900 -6.443 1.00 0.00 N ATOM 432 CE2 TRP A 38 3.068 3.222 -7.112 1.00 0.00 C ATOM 433 CE3 TRP A 38 1.394 1.588 -6.505 1.00 0.00 C ATOM 434 CZ2 TRP A 38 2.634 3.208 -8.433 1.00 0.00 C ATOM 435 CZ3 TRP A 38 0.950 1.572 -7.832 1.00 0.00 C ATOM 436 CH2 TRP A 38 1.569 2.381 -8.795 1.00 0.00 C ATOM 0 H TRP A 38 4.317 3.818 -2.478 1.00 0.00 H new ATOM 0 HA TRP A 38 1.426 3.451 -2.861 1.00 0.00 H new ATOM 0 HB2 TRP A 38 3.777 1.522 -3.181 1.00 0.00 H new ATOM 0 HB3 TRP A 38 2.130 1.197 -3.683 1.00 0.00 H new ATOM 0 HD1 TRP A 38 4.785 3.965 -4.372 1.00 0.00 H new ATOM 0 HE1 TRP A 38 4.691 4.570 -6.882 1.00 0.00 H new ATOM 0 HE3 TRP A 38 0.911 0.961 -5.769 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 3.116 3.831 -9.172 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 0.127 0.933 -8.116 1.00 0.00 H new ATOM 0 HH2 TRP A 38 1.222 2.365 -9.818 1.00 0.00 H new ATOM 447 N ASP A 39 1.295 1.249 -1.255 1.00 0.00 N ATOM 448 CA ASP A 39 1.051 0.410 -0.060 1.00 0.00 C ATOM 449 C ASP A 39 0.667 -0.975 -0.565 1.00 0.00 C ATOM 450 O ASP A 39 -0.429 -1.187 -1.045 1.00 0.00 O ATOM 451 CB ASP A 39 -0.080 1.001 0.782 1.00 0.00 C ATOM 452 CG ASP A 39 0.483 1.485 2.119 1.00 0.00 C ATOM 453 OD1 ASP A 39 0.626 0.666 3.011 1.00 0.00 O ATOM 454 OD2 ASP A 39 0.761 2.668 2.228 1.00 0.00 O ATOM 0 H ASP A 39 0.751 0.991 -2.078 1.00 0.00 H new ATOM 0 HA ASP A 39 1.939 0.363 0.571 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -0.549 1.829 0.251 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -0.853 0.251 0.950 1.00 0.00 H new ATOM 459 N PHE A 40 1.572 -1.913 -0.511 1.00 0.00 N ATOM 460 CA PHE A 40 1.245 -3.266 -1.050 1.00 0.00 C ATOM 461 C PHE A 40 0.445 -4.077 -0.029 1.00 0.00 C ATOM 462 O PHE A 40 -0.705 -4.400 -0.248 1.00 0.00 O ATOM 463 CB PHE A 40 2.520 -4.041 -1.414 1.00 0.00 C ATOM 464 CG PHE A 40 3.474 -3.197 -2.232 1.00 0.00 C ATOM 465 CD1 PHE A 40 3.051 -1.999 -2.824 1.00 0.00 C ATOM 466 CD2 PHE A 40 4.794 -3.633 -2.408 1.00 0.00 C ATOM 467 CE1 PHE A 40 3.946 -1.242 -3.587 1.00 0.00 C ATOM 468 CE2 PHE A 40 5.686 -2.874 -3.168 1.00 0.00 C ATOM 469 CZ PHE A 40 5.263 -1.680 -3.757 1.00 0.00 C ATOM 0 H PHE A 40 2.510 -1.806 -0.124 1.00 0.00 H new ATOM 0 HA PHE A 40 0.647 -3.120 -1.950 1.00 0.00 H new ATOM 0 HB2 PHE A 40 3.017 -4.372 -0.502 1.00 0.00 H new ATOM 0 HB3 PHE A 40 2.254 -4.937 -1.975 1.00 0.00 H new ATOM 0 HD1 PHE A 40 2.034 -1.660 -2.691 1.00 0.00 H new ATOM 0 HD2 PHE A 40 5.122 -4.557 -1.955 1.00 0.00 H new ATOM 0 HE1 PHE A 40 3.620 -0.320 -4.045 1.00 0.00 H new ATOM 0 HE2 PHE A 40 6.704 -3.210 -3.301 1.00 0.00 H new ATOM 0 HZ PHE A 40 5.954 -1.094 -4.345 1.00 0.00 H new ATOM 479 N GLY A 41 1.050 -4.432 1.070 1.00 0.00 N ATOM 480 CA GLY A 41 0.325 -5.250 2.087 1.00 0.00 C ATOM 481 C GLY A 41 0.693 -6.732 1.905 1.00 0.00 C ATOM 482 O GLY A 41 0.133 -7.605 2.536 1.00 0.00 O ATOM 0 H GLY A 41 2.012 -4.193 1.309 1.00 0.00 H new ATOM 0 HA2 GLY A 41 0.588 -4.919 3.092 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -0.751 -5.115 1.979 1.00 0.00 H new ATOM 486 N ASP A 42 1.644 -7.011 1.051 1.00 0.00 N ATOM 487 CA ASP A 42 2.085 -8.420 0.813 1.00 0.00 C ATOM 488 C ASP A 42 3.341 -8.675 1.639 1.00 0.00 C ATOM 489 O ASP A 42 4.267 -9.332 1.204 1.00 0.00 O ATOM 490 CB ASP A 42 2.437 -8.571 -0.669 1.00 0.00 C ATOM 491 CG ASP A 42 3.379 -7.427 -1.097 1.00 0.00 C ATOM 492 OD1 ASP A 42 4.125 -6.929 -0.256 1.00 0.00 O ATOM 493 OD2 ASP A 42 3.336 -7.059 -2.258 1.00 0.00 O ATOM 0 H ASP A 42 2.142 -6.312 0.500 1.00 0.00 H new ATOM 0 HA ASP A 42 1.298 -9.121 1.090 1.00 0.00 H new ATOM 0 HB2 ASP A 42 2.916 -9.534 -0.843 1.00 0.00 H new ATOM 0 HB3 ASP A 42 1.529 -8.553 -1.272 1.00 0.00 H new ATOM 498 N GLY A 43 3.406 -8.098 2.797 1.00 0.00 N ATOM 499 CA GLY A 43 4.624 -8.224 3.626 1.00 0.00 C ATOM 500 C GLY A 43 5.248 -6.833 3.660 1.00 0.00 C ATOM 501 O GLY A 43 5.718 -6.370 4.682 1.00 0.00 O ATOM 0 H GLY A 43 2.659 -7.538 3.209 1.00 0.00 H new ATOM 0 HA2 GLY A 43 4.379 -8.568 4.631 1.00 0.00 H new ATOM 0 HA3 GLY A 43 5.314 -8.952 3.199 1.00 0.00 H new ATOM 505 N SER A 44 5.211 -6.143 2.542 1.00 0.00 N ATOM 506 CA SER A 44 5.751 -4.755 2.498 1.00 0.00 C ATOM 507 C SER A 44 4.562 -3.789 2.414 1.00 0.00 C ATOM 508 O SER A 44 3.951 -3.624 1.376 1.00 0.00 O ATOM 509 CB SER A 44 6.671 -4.575 1.281 1.00 0.00 C ATOM 510 OG SER A 44 5.942 -4.784 0.077 1.00 0.00 O ATOM 0 H SER A 44 4.829 -6.486 1.661 1.00 0.00 H new ATOM 0 HA SER A 44 6.340 -4.553 3.392 1.00 0.00 H new ATOM 0 HB2 SER A 44 7.100 -3.573 1.285 1.00 0.00 H new ATOM 0 HB3 SER A 44 7.502 -5.278 1.338 1.00 0.00 H new ATOM 0 HG SER A 44 5.041 -4.411 0.171 1.00 0.00 H new ATOM 516 N ALA A 45 4.209 -3.177 3.510 1.00 0.00 N ATOM 517 CA ALA A 45 3.042 -2.249 3.503 1.00 0.00 C ATOM 518 C ALA A 45 3.422 -0.929 2.834 1.00 0.00 C ATOM 519 O ALA A 45 3.267 -0.768 1.639 1.00 0.00 O ATOM 520 CB ALA A 45 2.588 -1.995 4.942 1.00 0.00 C ATOM 0 H ALA A 45 4.677 -3.279 4.410 1.00 0.00 H new ATOM 0 HA ALA A 45 2.226 -2.702 2.940 1.00 0.00 H new ATOM 0 HB1 ALA A 45 1.735 -1.317 4.940 1.00 0.00 H new ATOM 0 HB2 ALA A 45 2.300 -2.939 5.405 1.00 0.00 H new ATOM 0 HB3 ALA A 45 3.405 -1.548 5.508 1.00 0.00 H new ATOM 526 N GLU A 46 3.903 0.010 3.607 1.00 0.00 N ATOM 527 CA GLU A 46 4.293 1.344 3.050 1.00 0.00 C ATOM 528 C GLU A 46 5.240 1.156 1.866 1.00 0.00 C ATOM 529 O GLU A 46 6.029 0.232 1.829 1.00 0.00 O ATOM 530 CB GLU A 46 4.991 2.165 4.135 1.00 0.00 C ATOM 531 CG GLU A 46 6.076 1.316 4.802 1.00 0.00 C ATOM 532 CD GLU A 46 7.277 2.196 5.149 1.00 0.00 C ATOM 533 OE1 GLU A 46 7.784 2.853 4.256 1.00 0.00 O ATOM 534 OE2 GLU A 46 7.672 2.196 6.304 1.00 0.00 O ATOM 0 H GLU A 46 4.044 -0.090 4.612 1.00 0.00 H new ATOM 0 HA GLU A 46 3.398 1.867 2.714 1.00 0.00 H new ATOM 0 HB2 GLU A 46 5.433 3.061 3.700 1.00 0.00 H new ATOM 0 HB3 GLU A 46 4.266 2.496 4.878 1.00 0.00 H new ATOM 0 HG2 GLU A 46 5.682 0.849 5.705 1.00 0.00 H new ATOM 0 HG3 GLU A 46 6.383 0.511 4.134 1.00 0.00 H new ATOM 541 N VAL A 47 5.152 2.012 0.885 1.00 0.00 N ATOM 542 CA VAL A 47 6.029 1.862 -0.308 1.00 0.00 C ATOM 543 C VAL A 47 6.613 3.211 -0.727 1.00 0.00 C ATOM 544 O VAL A 47 5.915 4.062 -1.231 1.00 0.00 O ATOM 545 CB VAL A 47 5.189 1.321 -1.461 1.00 0.00 C ATOM 546 CG1 VAL A 47 6.074 1.086 -2.678 1.00 0.00 C ATOM 547 CG2 VAL A 47 4.542 0.004 -1.049 1.00 0.00 C ATOM 0 H VAL A 47 4.512 2.806 0.859 1.00 0.00 H new ATOM 0 HA VAL A 47 6.846 1.184 -0.062 1.00 0.00 H new ATOM 0 HB VAL A 47 4.415 2.047 -1.709 1.00 0.00 H new ATOM 0 HG11 VAL A 47 5.469 0.700 -3.498 1.00 0.00 H new ATOM 0 HG12 VAL A 47 6.536 2.026 -2.979 1.00 0.00 H new ATOM 0 HG13 VAL A 47 6.851 0.364 -2.429 1.00 0.00 H new ATOM 0 HG21 VAL A 47 3.942 -0.381 -1.874 1.00 0.00 H new ATOM 0 HG22 VAL A 47 5.318 -0.719 -0.796 1.00 0.00 H new ATOM 0 HG23 VAL A 47 3.903 0.168 -0.182 1.00 0.00 H new ATOM 557 N ASP A 48 7.890 3.399 -0.558 1.00 0.00 N ATOM 558 CA ASP A 48 8.511 4.684 -0.985 1.00 0.00 C ATOM 559 C ASP A 48 8.994 4.521 -2.429 1.00 0.00 C ATOM 560 O ASP A 48 9.952 3.823 -2.694 1.00 0.00 O ATOM 561 CB ASP A 48 9.697 5.011 -0.074 1.00 0.00 C ATOM 562 CG ASP A 48 9.395 6.284 0.719 1.00 0.00 C ATOM 563 OD1 ASP A 48 8.962 7.249 0.111 1.00 0.00 O ATOM 564 OD2 ASP A 48 9.602 6.272 1.921 1.00 0.00 O ATOM 0 H ASP A 48 8.530 2.721 -0.144 1.00 0.00 H new ATOM 0 HA ASP A 48 7.787 5.496 -0.919 1.00 0.00 H new ATOM 0 HB2 ASP A 48 9.885 4.181 0.607 1.00 0.00 H new ATOM 0 HB3 ASP A 48 10.600 5.146 -0.669 1.00 0.00 H new ATOM 569 N ALA A 49 8.323 5.133 -3.367 1.00 0.00 N ATOM 570 CA ALA A 49 8.734 4.976 -4.793 1.00 0.00 C ATOM 571 C ALA A 49 9.095 6.328 -5.411 1.00 0.00 C ATOM 572 O ALA A 49 8.791 7.378 -4.876 1.00 0.00 O ATOM 573 CB ALA A 49 7.575 4.366 -5.576 1.00 0.00 C ATOM 0 H ALA A 49 7.512 5.732 -3.210 1.00 0.00 H new ATOM 0 HA ALA A 49 9.611 4.330 -4.835 1.00 0.00 H new ATOM 0 HB1 ALA A 49 7.864 4.247 -6.620 1.00 0.00 H new ATOM 0 HB2 ALA A 49 7.324 3.392 -5.155 1.00 0.00 H new ATOM 0 HB3 ALA A 49 6.707 5.023 -5.513 1.00 0.00 H new ATOM 579 N ALA A 50 9.738 6.300 -6.550 1.00 0.00 N ATOM 580 CA ALA A 50 10.126 7.565 -7.234 1.00 0.00 C ATOM 581 C ALA A 50 9.085 7.906 -8.304 1.00 0.00 C ATOM 582 O ALA A 50 8.422 7.028 -8.848 1.00 0.00 O ATOM 583 CB ALA A 50 11.493 7.390 -7.895 1.00 0.00 C ATOM 0 H ALA A 50 10.012 5.447 -7.037 1.00 0.00 H new ATOM 0 HA ALA A 50 10.176 8.372 -6.503 1.00 0.00 H new ATOM 0 HB1 ALA A 50 11.776 8.316 -8.395 1.00 0.00 H new ATOM 0 HB2 ALA A 50 12.236 7.146 -7.136 1.00 0.00 H new ATOM 0 HB3 ALA A 50 11.443 6.583 -8.626 1.00 0.00 H new ATOM 589 N GLY A 51 8.937 9.177 -8.606 1.00 0.00 N ATOM 590 CA GLY A 51 7.941 9.597 -9.630 1.00 0.00 C ATOM 591 C GLY A 51 6.633 8.862 -9.373 1.00 0.00 C ATOM 592 O GLY A 51 6.376 8.429 -8.271 1.00 0.00 O ATOM 0 H GLY A 51 9.468 9.938 -8.183 1.00 0.00 H new ATOM 0 HA2 GLY A 51 7.784 10.675 -9.584 1.00 0.00 H new ATOM 0 HA3 GLY A 51 8.310 9.371 -10.630 1.00 0.00 H new ATOM 596 N PRO A 52 5.849 8.732 -10.396 1.00 0.00 N ATOM 597 CA PRO A 52 4.572 8.021 -10.315 1.00 0.00 C ATOM 598 C PRO A 52 4.772 6.525 -10.612 1.00 0.00 C ATOM 599 O PRO A 52 3.979 5.936 -11.318 1.00 0.00 O ATOM 600 CB PRO A 52 3.754 8.662 -11.440 1.00 0.00 C ATOM 601 CG PRO A 52 4.779 9.243 -12.451 1.00 0.00 C ATOM 602 CD PRO A 52 6.136 9.310 -11.720 1.00 0.00 C ATOM 0 HA PRO A 52 4.104 8.089 -9.333 1.00 0.00 H new ATOM 0 HB2 PRO A 52 3.110 7.925 -11.920 1.00 0.00 H new ATOM 0 HB3 PRO A 52 3.106 9.447 -11.050 1.00 0.00 H new ATOM 0 HG2 PRO A 52 4.848 8.612 -13.337 1.00 0.00 H new ATOM 0 HG3 PRO A 52 4.472 10.233 -12.787 1.00 0.00 H new ATOM 0 HD2 PRO A 52 6.903 8.742 -12.247 1.00 0.00 H new ATOM 0 HD3 PRO A 52 6.497 10.335 -11.639 1.00 0.00 H new ATOM 610 N ALA A 53 5.818 5.889 -10.125 1.00 0.00 N ATOM 611 CA ALA A 53 5.975 4.440 -10.474 1.00 0.00 C ATOM 612 C ALA A 53 6.455 3.599 -9.286 1.00 0.00 C ATOM 613 O ALA A 53 7.022 4.096 -8.337 1.00 0.00 O ATOM 614 CB ALA A 53 6.970 4.303 -11.624 1.00 0.00 C ATOM 0 H ALA A 53 6.540 6.291 -9.527 1.00 0.00 H new ATOM 0 HA ALA A 53 4.994 4.065 -10.765 1.00 0.00 H new ATOM 0 HB1 ALA A 53 7.087 3.250 -11.881 1.00 0.00 H new ATOM 0 HB2 ALA A 53 6.600 4.849 -12.492 1.00 0.00 H new ATOM 0 HB3 ALA A 53 7.934 4.712 -11.322 1.00 0.00 H new ATOM 620 N ALA A 54 6.221 2.308 -9.360 1.00 0.00 N ATOM 621 CA ALA A 54 6.640 1.368 -8.275 1.00 0.00 C ATOM 622 C ALA A 54 6.413 -0.067 -8.762 1.00 0.00 C ATOM 623 O ALA A 54 6.181 -0.301 -9.930 1.00 0.00 O ATOM 624 CB ALA A 54 5.798 1.617 -7.021 1.00 0.00 C ATOM 0 H ALA A 54 5.747 1.860 -10.144 1.00 0.00 H new ATOM 0 HA ALA A 54 7.692 1.524 -8.034 1.00 0.00 H new ATOM 0 HB1 ALA A 54 6.107 0.930 -6.233 1.00 0.00 H new ATOM 0 HB2 ALA A 54 5.942 2.644 -6.684 1.00 0.00 H new ATOM 0 HB3 ALA A 54 4.745 1.455 -7.252 1.00 0.00 H new ATOM 630 N SER A 55 6.470 -1.029 -7.882 1.00 0.00 N ATOM 631 CA SER A 55 6.245 -2.445 -8.305 1.00 0.00 C ATOM 632 C SER A 55 5.788 -3.271 -7.103 1.00 0.00 C ATOM 633 O SER A 55 6.208 -3.043 -5.991 1.00 0.00 O ATOM 634 CB SER A 55 7.528 -3.032 -8.876 1.00 0.00 C ATOM 635 OG SER A 55 8.596 -2.813 -7.964 1.00 0.00 O ATOM 0 H SER A 55 6.662 -0.898 -6.889 1.00 0.00 H new ATOM 0 HA SER A 55 5.474 -2.468 -9.075 1.00 0.00 H new ATOM 0 HB2 SER A 55 7.403 -4.100 -9.057 1.00 0.00 H new ATOM 0 HB3 SER A 55 7.756 -2.570 -9.837 1.00 0.00 H new ATOM 0 HG SER A 55 9.422 -3.192 -8.330 1.00 0.00 H new ATOM 641 N HIS A 56 4.914 -4.215 -7.323 1.00 0.00 N ATOM 642 CA HIS A 56 4.400 -5.046 -6.198 1.00 0.00 C ATOM 643 C HIS A 56 5.065 -6.421 -6.174 1.00 0.00 C ATOM 644 O HIS A 56 5.364 -7.001 -7.198 1.00 0.00 O ATOM 645 CB HIS A 56 2.900 -5.231 -6.376 1.00 0.00 C ATOM 646 CG HIS A 56 2.177 -4.145 -5.644 1.00 0.00 C ATOM 647 ND1 HIS A 56 2.194 -2.826 -6.065 1.00 0.00 N ATOM 648 CD2 HIS A 56 1.408 -4.167 -4.515 1.00 0.00 C ATOM 649 CE1 HIS A 56 1.450 -2.119 -5.199 1.00 0.00 C ATOM 650 NE2 HIS A 56 0.944 -2.891 -4.237 1.00 0.00 N ATOM 0 H HIS A 56 4.532 -4.447 -8.240 1.00 0.00 H new ATOM 0 HA HIS A 56 4.625 -4.538 -5.260 1.00 0.00 H new ATOM 0 HB2 HIS A 56 2.642 -5.206 -7.435 1.00 0.00 H new ATOM 0 HB3 HIS A 56 2.595 -6.206 -5.997 1.00 0.00 H new ATOM 0 HD1 HIS A 56 2.682 -2.459 -6.882 1.00 0.00 H new ATOM 0 HD2 HIS A 56 1.194 -5.047 -3.927 1.00 0.00 H new ATOM 0 HE1 HIS A 56 1.282 -1.055 -5.273 1.00 0.00 H new ATOM 658 N ARG A 57 5.262 -6.954 -5.000 1.00 0.00 N ATOM 659 CA ARG A 57 5.876 -8.306 -4.866 1.00 0.00 C ATOM 660 C ARG A 57 4.862 -9.227 -4.185 1.00 0.00 C ATOM 661 O ARG A 57 4.808 -9.323 -2.976 1.00 0.00 O ATOM 662 CB ARG A 57 7.151 -8.219 -4.016 1.00 0.00 C ATOM 663 CG ARG A 57 6.885 -7.405 -2.743 1.00 0.00 C ATOM 664 CD ARG A 57 7.891 -6.257 -2.653 1.00 0.00 C ATOM 665 NE ARG A 57 7.723 -5.349 -3.825 1.00 0.00 N ATOM 666 CZ ARG A 57 8.740 -4.666 -4.274 1.00 0.00 C ATOM 667 NH1 ARG A 57 9.658 -4.239 -3.450 1.00 0.00 N ATOM 668 NH2 ARG A 57 8.836 -4.407 -5.549 1.00 0.00 N ATOM 0 H ARG A 57 5.021 -6.505 -4.117 1.00 0.00 H new ATOM 0 HA ARG A 57 6.140 -8.697 -5.849 1.00 0.00 H new ATOM 0 HB2 ARG A 57 7.490 -9.221 -3.752 1.00 0.00 H new ATOM 0 HB3 ARG A 57 7.950 -7.754 -4.593 1.00 0.00 H new ATOM 0 HG2 ARG A 57 5.868 -7.012 -2.756 1.00 0.00 H new ATOM 0 HG3 ARG A 57 6.968 -8.045 -1.865 1.00 0.00 H new ATOM 0 HD2 ARG A 57 7.743 -5.702 -1.727 1.00 0.00 H new ATOM 0 HD3 ARG A 57 8.907 -6.652 -2.629 1.00 0.00 H new ATOM 0 HE ARG A 57 6.812 -5.262 -4.276 1.00 0.00 H new ATOM 0 HH11 ARG A 57 9.581 -4.439 -2.453 1.00 0.00 H new ATOM 0 HH12 ARG A 57 10.452 -3.705 -3.803 1.00 0.00 H new ATOM 0 HH21 ARG A 57 8.117 -4.738 -6.192 1.00 0.00 H new ATOM 0 HH22 ARG A 57 9.630 -3.873 -5.903 1.00 0.00 H new ATOM 682 N TYR A 58 4.043 -9.893 -4.950 1.00 0.00 N ATOM 683 CA TYR A 58 3.017 -10.783 -4.338 1.00 0.00 C ATOM 684 C TYR A 58 3.561 -12.205 -4.222 1.00 0.00 C ATOM 685 O TYR A 58 4.077 -12.761 -5.167 1.00 0.00 O ATOM 686 CB TYR A 58 1.761 -10.742 -5.208 1.00 0.00 C ATOM 687 CG TYR A 58 1.114 -9.402 -5.032 1.00 0.00 C ATOM 688 CD1 TYR A 58 0.812 -8.952 -3.745 1.00 0.00 C ATOM 689 CD2 TYR A 58 0.806 -8.616 -6.144 1.00 0.00 C ATOM 690 CE1 TYR A 58 0.195 -7.717 -3.567 1.00 0.00 C ATOM 691 CE2 TYR A 58 0.193 -7.376 -5.964 1.00 0.00 C ATOM 692 CZ TYR A 58 -0.114 -6.930 -4.673 1.00 0.00 C ATOM 693 OH TYR A 58 -0.740 -5.723 -4.487 1.00 0.00 O ATOM 0 H TYR A 58 4.039 -9.860 -5.969 1.00 0.00 H new ATOM 0 HA TYR A 58 2.769 -10.442 -3.333 1.00 0.00 H new ATOM 0 HB2 TYR A 58 2.018 -10.906 -6.255 1.00 0.00 H new ATOM 0 HB3 TYR A 58 1.073 -11.537 -4.920 1.00 0.00 H new ATOM 0 HD1 TYR A 58 1.057 -9.562 -2.888 1.00 0.00 H new ATOM 0 HD2 TYR A 58 1.041 -8.966 -7.138 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -0.044 -7.370 -2.573 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -0.044 -6.761 -6.819 1.00 0.00 H new ATOM 0 HH TYR A 58 -0.892 -5.577 -3.530 1.00 0.00 H new ATOM 703 N VAL A 59 3.471 -12.786 -3.053 1.00 0.00 N ATOM 704 CA VAL A 59 4.009 -14.164 -2.863 1.00 0.00 C ATOM 705 C VAL A 59 2.891 -15.147 -2.484 1.00 0.00 C ATOM 706 O VAL A 59 2.986 -16.324 -2.758 1.00 0.00 O ATOM 707 CB VAL A 59 5.066 -14.144 -1.755 1.00 0.00 C ATOM 708 CG1 VAL A 59 4.432 -13.691 -0.437 1.00 0.00 C ATOM 709 CG2 VAL A 59 5.653 -15.547 -1.579 1.00 0.00 C ATOM 0 H VAL A 59 3.049 -12.366 -2.225 1.00 0.00 H new ATOM 0 HA VAL A 59 4.453 -14.495 -3.802 1.00 0.00 H new ATOM 0 HB VAL A 59 5.858 -13.448 -2.032 1.00 0.00 H new ATOM 0 HG11 VAL A 59 5.190 -13.679 0.346 1.00 0.00 H new ATOM 0 HG12 VAL A 59 4.019 -12.689 -0.557 1.00 0.00 H new ATOM 0 HG13 VAL A 59 3.635 -14.381 -0.160 1.00 0.00 H new ATOM 0 HG21 VAL A 59 6.405 -15.530 -0.790 1.00 0.00 H new ATOM 0 HG22 VAL A 59 4.859 -16.243 -1.309 1.00 0.00 H new ATOM 0 HG23 VAL A 59 6.114 -15.868 -2.513 1.00 0.00 H new ATOM 719 N LEU A 60 1.839 -14.694 -1.852 1.00 0.00 N ATOM 720 CA LEU A 60 0.750 -15.638 -1.467 1.00 0.00 C ATOM 721 C LEU A 60 -0.413 -15.503 -2.450 1.00 0.00 C ATOM 722 O LEU A 60 -0.681 -14.430 -2.944 1.00 0.00 O ATOM 723 CB LEU A 60 0.268 -15.304 -0.052 1.00 0.00 C ATOM 724 CG LEU A 60 0.111 -16.589 0.760 1.00 0.00 C ATOM 725 CD1 LEU A 60 0.889 -16.464 2.070 1.00 0.00 C ATOM 726 CD2 LEU A 60 -1.371 -16.815 1.067 1.00 0.00 C ATOM 0 H LEU A 60 1.688 -13.720 -1.588 1.00 0.00 H new ATOM 0 HA LEU A 60 1.126 -16.661 -1.492 1.00 0.00 H new ATOM 0 HB2 LEU A 60 0.980 -14.639 0.437 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -0.683 -14.774 -0.098 1.00 0.00 H new ATOM 0 HG LEU A 60 0.499 -17.432 0.188 1.00 0.00 H new ATOM 0 HD11 LEU A 60 0.777 -17.381 2.649 1.00 0.00 H new ATOM 0 HD12 LEU A 60 1.944 -16.299 1.852 1.00 0.00 H new ATOM 0 HD13 LEU A 60 0.502 -15.623 2.644 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -1.487 -17.731 1.646 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -1.757 -15.972 1.640 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -1.927 -16.903 0.133 1.00 0.00 H new ATOM 738 N PRO A 61 -1.077 -16.600 -2.702 1.00 0.00 N ATOM 739 CA PRO A 61 -2.229 -16.629 -3.618 1.00 0.00 C ATOM 740 C PRO A 61 -3.466 -16.061 -2.916 1.00 0.00 C ATOM 741 O PRO A 61 -3.884 -16.548 -1.884 1.00 0.00 O ATOM 742 CB PRO A 61 -2.405 -18.117 -3.928 1.00 0.00 C ATOM 743 CG PRO A 61 -1.732 -18.886 -2.766 1.00 0.00 C ATOM 744 CD PRO A 61 -0.744 -17.908 -2.103 1.00 0.00 C ATOM 0 HA PRO A 61 -2.085 -16.032 -4.519 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -3.461 -18.376 -4.005 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -1.944 -18.373 -4.882 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -2.476 -19.231 -2.048 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -1.212 -19.770 -3.136 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -0.864 -17.893 -1.020 1.00 0.00 H new ATOM 0 HD3 PRO A 61 0.290 -18.188 -2.305 1.00 0.00 H new ATOM 752 N GLY A 62 -4.048 -15.032 -3.464 1.00 0.00 N ATOM 753 CA GLY A 62 -5.252 -14.429 -2.826 1.00 0.00 C ATOM 754 C GLY A 62 -5.475 -13.025 -3.386 1.00 0.00 C ATOM 755 O GLY A 62 -4.938 -12.665 -4.412 1.00 0.00 O ATOM 0 H GLY A 62 -3.742 -14.582 -4.327 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -6.127 -15.051 -3.015 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -5.120 -14.384 -1.745 1.00 0.00 H new ATOM 759 N ARG A 63 -6.264 -12.226 -2.722 1.00 0.00 N ATOM 760 CA ARG A 63 -6.519 -10.847 -3.227 1.00 0.00 C ATOM 761 C ARG A 63 -5.763 -9.826 -2.371 1.00 0.00 C ATOM 762 O ARG A 63 -5.965 -9.728 -1.177 1.00 0.00 O ATOM 763 CB ARG A 63 -8.018 -10.549 -3.169 1.00 0.00 C ATOM 764 CG ARG A 63 -8.441 -9.814 -4.444 1.00 0.00 C ATOM 765 CD ARG A 63 -9.768 -9.089 -4.204 1.00 0.00 C ATOM 766 NE ARG A 63 -10.526 -9.778 -3.120 1.00 0.00 N ATOM 767 CZ ARG A 63 -11.554 -10.524 -3.417 1.00 0.00 C ATOM 768 NH1 ARG A 63 -11.439 -11.475 -4.303 1.00 0.00 N ATOM 769 NH2 ARG A 63 -12.699 -10.320 -2.823 1.00 0.00 N ATOM 0 H ARG A 63 -6.742 -12.467 -1.854 1.00 0.00 H new ATOM 0 HA ARG A 63 -6.171 -10.777 -4.258 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -8.581 -11.477 -3.068 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -8.245 -9.941 -2.293 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -7.672 -9.099 -4.735 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -8.546 -10.522 -5.266 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -9.582 -8.051 -3.928 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -10.357 -9.075 -5.121 1.00 0.00 H new ATOM 0 HE ARG A 63 -10.241 -9.666 -2.147 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -10.544 -11.636 -4.765 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -12.244 -12.057 -4.534 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -12.788 -9.578 -2.128 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -13.504 -10.902 -3.054 1.00 0.00 H new ATOM 783 N TYR A 64 -4.901 -9.056 -2.980 1.00 0.00 N ATOM 784 CA TYR A 64 -4.136 -8.031 -2.215 1.00 0.00 C ATOM 785 C TYR A 64 -4.725 -6.652 -2.501 1.00 0.00 C ATOM 786 O TYR A 64 -5.254 -6.407 -3.566 1.00 0.00 O ATOM 787 CB TYR A 64 -2.680 -8.024 -2.669 1.00 0.00 C ATOM 788 CG TYR A 64 -1.963 -9.259 -2.187 1.00 0.00 C ATOM 789 CD1 TYR A 64 -2.117 -10.468 -2.871 1.00 0.00 C ATOM 790 CD2 TYR A 64 -1.114 -9.185 -1.076 1.00 0.00 C ATOM 791 CE1 TYR A 64 -1.424 -11.604 -2.446 1.00 0.00 C ATOM 792 CE2 TYR A 64 -0.424 -10.324 -0.647 1.00 0.00 C ATOM 793 CZ TYR A 64 -0.576 -11.533 -1.334 1.00 0.00 C ATOM 794 OH TYR A 64 0.117 -12.652 -0.919 1.00 0.00 O ATOM 0 H TYR A 64 -4.694 -9.094 -3.978 1.00 0.00 H new ATOM 0 HA TYR A 64 -4.195 -8.265 -1.152 1.00 0.00 H new ATOM 0 HB2 TYR A 64 -2.634 -7.973 -3.757 1.00 0.00 H new ATOM 0 HB3 TYR A 64 -2.179 -7.135 -2.286 1.00 0.00 H new ATOM 0 HD1 TYR A 64 -2.772 -10.524 -3.728 1.00 0.00 H new ATOM 0 HD2 TYR A 64 -0.992 -8.249 -0.551 1.00 0.00 H new ATOM 0 HE1 TYR A 64 -1.542 -12.538 -2.976 1.00 0.00 H new ATOM 0 HE2 TYR A 64 0.226 -10.270 0.214 1.00 0.00 H new ATOM 0 HH TYR A 64 0.174 -12.657 0.059 1.00 0.00 H new ATOM 804 N HIS A 65 -4.621 -5.745 -1.571 1.00 0.00 N ATOM 805 CA HIS A 65 -5.159 -4.378 -1.806 1.00 0.00 C ATOM 806 C HIS A 65 -3.994 -3.404 -1.983 1.00 0.00 C ATOM 807 O HIS A 65 -3.113 -3.316 -1.152 1.00 0.00 O ATOM 808 CB HIS A 65 -6.012 -3.947 -0.612 1.00 0.00 C ATOM 809 CG HIS A 65 -6.447 -2.521 -0.800 1.00 0.00 C ATOM 810 ND1 HIS A 65 -7.459 -2.169 -1.677 1.00 0.00 N ATOM 811 CD2 HIS A 65 -6.019 -1.348 -0.232 1.00 0.00 C ATOM 812 CE1 HIS A 65 -7.606 -0.835 -1.614 1.00 0.00 C ATOM 813 NE2 HIS A 65 -6.753 -0.284 -0.747 1.00 0.00 N ATOM 0 H HIS A 65 -4.187 -5.891 -0.660 1.00 0.00 H new ATOM 0 HA HIS A 65 -5.777 -4.378 -2.704 1.00 0.00 H new ATOM 0 HB2 HIS A 65 -6.883 -4.596 -0.520 1.00 0.00 H new ATOM 0 HB3 HIS A 65 -5.442 -4.046 0.312 1.00 0.00 H new ATOM 0 HD1 HIS A 65 -7.996 -2.807 -2.265 1.00 0.00 H new ATOM 0 HD2 HIS A 65 -5.232 -1.263 0.503 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -8.326 -0.277 -2.194 1.00 0.00 H new ATOM 821 N VAL A 66 -3.975 -2.680 -3.068 1.00 0.00 N ATOM 822 CA VAL A 66 -2.862 -1.720 -3.311 1.00 0.00 C ATOM 823 C VAL A 66 -3.359 -0.285 -3.149 1.00 0.00 C ATOM 824 O VAL A 66 -4.508 0.013 -3.385 1.00 0.00 O ATOM 825 CB VAL A 66 -2.349 -1.898 -4.738 1.00 0.00 C ATOM 826 CG1 VAL A 66 -1.208 -0.912 -4.999 1.00 0.00 C ATOM 827 CG2 VAL A 66 -1.843 -3.322 -4.925 1.00 0.00 C ATOM 0 H VAL A 66 -4.685 -2.712 -3.799 1.00 0.00 H new ATOM 0 HA VAL A 66 -2.066 -1.913 -2.592 1.00 0.00 H new ATOM 0 HB VAL A 66 -3.161 -1.707 -5.440 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -0.843 -1.040 -6.018 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -1.571 0.107 -4.869 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -0.396 -1.100 -4.296 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -1.477 -3.447 -5.944 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -1.033 -3.515 -4.222 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -2.657 -4.024 -4.743 1.00 0.00 H new ATOM 837 N THR A 67 -2.486 0.609 -2.766 1.00 0.00 N ATOM 838 CA THR A 67 -2.876 2.039 -2.609 1.00 0.00 C ATOM 839 C THR A 67 -1.652 2.904 -2.906 1.00 0.00 C ATOM 840 O THR A 67 -0.533 2.438 -2.830 1.00 0.00 O ATOM 841 CB THR A 67 -3.351 2.313 -1.178 1.00 0.00 C ATOM 842 OG1 THR A 67 -2.306 2.940 -0.449 1.00 0.00 O ATOM 843 CG2 THR A 67 -3.736 1.002 -0.491 1.00 0.00 C ATOM 0 H THR A 67 -1.509 0.406 -2.553 1.00 0.00 H new ATOM 0 HA THR A 67 -3.691 2.271 -3.295 1.00 0.00 H new ATOM 0 HB THR A 67 -4.223 2.966 -1.210 1.00 0.00 H new ATOM 0 HG1 THR A 67 -2.607 3.118 0.466 1.00 0.00 H new ATOM 0 HG21 THR A 67 -4.072 1.209 0.525 1.00 0.00 H new ATOM 0 HG22 THR A 67 -4.540 0.522 -1.048 1.00 0.00 H new ATOM 0 HG23 THR A 67 -2.871 0.340 -0.459 1.00 0.00 H new ATOM 851 N ALA A 68 -1.840 4.150 -3.248 1.00 0.00 N ATOM 852 CA ALA A 68 -0.656 5.013 -3.543 1.00 0.00 C ATOM 853 C ALA A 68 -0.960 6.477 -3.226 1.00 0.00 C ATOM 854 O ALA A 68 -2.092 6.909 -3.237 1.00 0.00 O ATOM 855 CB ALA A 68 -0.279 4.897 -5.025 1.00 0.00 C ATOM 0 H ALA A 68 -2.749 4.605 -3.336 1.00 0.00 H new ATOM 0 HA ALA A 68 0.172 4.675 -2.919 1.00 0.00 H new ATOM 0 HB1 ALA A 68 0.585 5.529 -5.231 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -0.034 3.861 -5.258 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -1.119 5.219 -5.640 1.00 0.00 H new ATOM 861 N VAL A 69 0.056 7.244 -2.956 1.00 0.00 N ATOM 862 CA VAL A 69 -0.142 8.686 -2.659 1.00 0.00 C ATOM 863 C VAL A 69 1.086 9.453 -3.151 1.00 0.00 C ATOM 864 O VAL A 69 2.157 9.361 -2.586 1.00 0.00 O ATOM 865 CB VAL A 69 -0.326 8.886 -1.153 1.00 0.00 C ATOM 866 CG1 VAL A 69 0.905 8.381 -0.400 1.00 0.00 C ATOM 867 CG2 VAL A 69 -0.527 10.376 -0.861 1.00 0.00 C ATOM 0 H VAL A 69 1.026 6.929 -2.928 1.00 0.00 H new ATOM 0 HA VAL A 69 -1.034 9.056 -3.164 1.00 0.00 H new ATOM 0 HB VAL A 69 -1.199 8.323 -0.822 1.00 0.00 H new ATOM 0 HG11 VAL A 69 0.763 8.529 0.671 1.00 0.00 H new ATOM 0 HG12 VAL A 69 1.047 7.320 -0.604 1.00 0.00 H new ATOM 0 HG13 VAL A 69 1.785 8.934 -0.729 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -0.658 10.522 0.211 1.00 0.00 H new ATOM 0 HG22 VAL A 69 0.346 10.934 -1.199 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -1.412 10.734 -1.387 1.00 0.00 H new ATOM 877 N LEU A 70 0.952 10.200 -4.210 1.00 0.00 N ATOM 878 CA LEU A 70 2.135 10.945 -4.727 1.00 0.00 C ATOM 879 C LEU A 70 2.207 12.309 -4.053 1.00 0.00 C ATOM 880 O LEU A 70 1.203 12.884 -3.695 1.00 0.00 O ATOM 881 CB LEU A 70 2.043 11.162 -6.246 1.00 0.00 C ATOM 882 CG LEU A 70 0.944 10.316 -6.890 1.00 0.00 C ATOM 883 CD1 LEU A 70 0.954 10.593 -8.389 1.00 0.00 C ATOM 884 CD2 LEU A 70 1.193 8.823 -6.666 1.00 0.00 C ATOM 0 H LEU A 70 0.087 10.327 -4.735 1.00 0.00 H new ATOM 0 HA LEU A 70 3.024 10.353 -4.508 1.00 0.00 H new ATOM 0 HB2 LEU A 70 1.852 12.216 -6.449 1.00 0.00 H new ATOM 0 HB3 LEU A 70 3.001 10.917 -6.704 1.00 0.00 H new ATOM 0 HG LEU A 70 -0.015 10.576 -6.441 1.00 0.00 H new ATOM 0 HD11 LEU A 70 0.178 10.001 -8.874 1.00 0.00 H new ATOM 0 HD12 LEU A 70 0.765 11.652 -8.565 1.00 0.00 H new ATOM 0 HD13 LEU A 70 1.926 10.324 -8.802 1.00 0.00 H new ATOM 0 HD21 LEU A 70 0.395 8.247 -7.135 1.00 0.00 H new ATOM 0 HD22 LEU A 70 2.150 8.544 -7.107 1.00 0.00 H new ATOM 0 HD23 LEU A 70 1.211 8.614 -5.596 1.00 0.00 H new ATOM 896 N ALA A 71 3.389 12.841 -3.888 1.00 0.00 N ATOM 897 CA ALA A 71 3.504 14.180 -3.249 1.00 0.00 C ATOM 898 C ALA A 71 4.445 15.062 -4.058 1.00 0.00 C ATOM 899 O ALA A 71 5.609 14.762 -4.237 1.00 0.00 O ATOM 900 CB ALA A 71 4.047 14.058 -1.830 1.00 0.00 C ATOM 0 H ALA A 71 4.271 12.410 -4.166 1.00 0.00 H new ATOM 0 HA ALA A 71 2.509 14.624 -3.216 1.00 0.00 H new ATOM 0 HB1 ALA A 71 4.122 15.049 -1.383 1.00 0.00 H new ATOM 0 HB2 ALA A 71 3.374 13.442 -1.234 1.00 0.00 H new ATOM 0 HB3 ALA A 71 5.034 13.596 -1.857 1.00 0.00 H new ATOM 906 N LEU A 72 3.941 16.156 -4.534 1.00 0.00 N ATOM 907 CA LEU A 72 4.777 17.094 -5.325 1.00 0.00 C ATOM 908 C LEU A 72 5.000 18.373 -4.524 1.00 0.00 C ATOM 909 O LEU A 72 5.809 19.209 -4.875 1.00 0.00 O ATOM 910 CB LEU A 72 4.035 17.442 -6.604 1.00 0.00 C ATOM 911 CG LEU A 72 4.386 16.432 -7.693 1.00 0.00 C ATOM 912 CD1 LEU A 72 3.383 16.556 -8.839 1.00 0.00 C ATOM 913 CD2 LEU A 72 5.798 16.724 -8.208 1.00 0.00 C ATOM 0 H LEU A 72 2.972 16.447 -4.408 1.00 0.00 H new ATOM 0 HA LEU A 72 5.737 16.632 -5.554 1.00 0.00 H new ATOM 0 HB2 LEU A 72 2.960 17.439 -6.424 1.00 0.00 H new ATOM 0 HB3 LEU A 72 4.301 18.448 -6.928 1.00 0.00 H new ATOM 0 HG LEU A 72 4.347 15.420 -7.289 1.00 0.00 H new ATOM 0 HD11 LEU A 72 3.631 15.836 -9.619 1.00 0.00 H new ATOM 0 HD12 LEU A 72 2.378 16.356 -8.466 1.00 0.00 H new ATOM 0 HD13 LEU A 72 3.423 17.565 -9.250 1.00 0.00 H new ATOM 0 HD21 LEU A 72 6.057 16.007 -8.987 1.00 0.00 H new ATOM 0 HD22 LEU A 72 5.834 17.733 -8.618 1.00 0.00 H new ATOM 0 HD23 LEU A 72 6.509 16.640 -7.386 1.00 0.00 H new ATOM 925 N GLY A 73 4.266 18.540 -3.464 1.00 0.00 N ATOM 926 CA GLY A 73 4.398 19.773 -2.640 1.00 0.00 C ATOM 927 C GLY A 73 3.174 20.649 -2.896 1.00 0.00 C ATOM 928 O GLY A 73 2.515 21.102 -1.982 1.00 0.00 O ATOM 0 H GLY A 73 3.574 17.870 -3.129 1.00 0.00 H new ATOM 0 HA2 GLY A 73 4.469 19.518 -1.583 1.00 0.00 H new ATOM 0 HA3 GLY A 73 5.311 20.309 -2.901 1.00 0.00 H new ATOM 932 N ALA A 74 2.857 20.874 -4.144 1.00 0.00 N ATOM 933 CA ALA A 74 1.666 21.701 -4.481 1.00 0.00 C ATOM 934 C ALA A 74 0.592 20.820 -5.134 1.00 0.00 C ATOM 935 O ALA A 74 -0.519 21.252 -5.365 1.00 0.00 O ATOM 936 CB ALA A 74 2.074 22.806 -5.455 1.00 0.00 C ATOM 0 H ALA A 74 3.376 20.518 -4.947 1.00 0.00 H new ATOM 0 HA ALA A 74 1.266 22.144 -3.569 1.00 0.00 H new ATOM 0 HB1 ALA A 74 1.203 23.413 -5.703 1.00 0.00 H new ATOM 0 HB2 ALA A 74 2.835 23.435 -4.993 1.00 0.00 H new ATOM 0 HB3 ALA A 74 2.476 22.359 -6.365 1.00 0.00 H new ATOM 942 N GLY A 75 0.915 19.589 -5.431 1.00 0.00 N ATOM 943 CA GLY A 75 -0.084 18.683 -6.067 1.00 0.00 C ATOM 944 C GLY A 75 0.140 17.254 -5.565 1.00 0.00 C ATOM 945 O GLY A 75 1.230 16.887 -5.177 1.00 0.00 O ATOM 0 H GLY A 75 1.830 19.172 -5.260 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -1.095 19.011 -5.826 1.00 0.00 H new ATOM 0 HA3 GLY A 75 0.013 18.719 -7.152 1.00 0.00 H new ATOM 949 N SER A 76 -0.884 16.448 -5.562 1.00 0.00 N ATOM 950 CA SER A 76 -0.725 15.047 -5.079 1.00 0.00 C ATOM 951 C SER A 76 -1.727 14.139 -5.793 1.00 0.00 C ATOM 952 O SER A 76 -2.627 14.597 -6.466 1.00 0.00 O ATOM 953 CB SER A 76 -0.984 15.004 -3.573 1.00 0.00 C ATOM 954 OG SER A 76 -2.353 14.697 -3.341 1.00 0.00 O ATOM 0 H SER A 76 -1.823 16.697 -5.872 1.00 0.00 H new ATOM 0 HA SER A 76 0.287 14.701 -5.290 1.00 0.00 H new ATOM 0 HB2 SER A 76 -0.347 14.254 -3.104 1.00 0.00 H new ATOM 0 HB3 SER A 76 -0.733 15.964 -3.121 1.00 0.00 H new ATOM 0 HG SER A 76 -2.523 14.667 -2.376 1.00 0.00 H new ATOM 960 N ALA A 77 -1.578 12.852 -5.643 1.00 0.00 N ATOM 961 CA ALA A 77 -2.520 11.908 -6.304 1.00 0.00 C ATOM 962 C ALA A 77 -2.749 10.707 -5.384 1.00 0.00 C ATOM 963 O ALA A 77 -1.917 10.381 -4.565 1.00 0.00 O ATOM 964 CB ALA A 77 -1.917 11.440 -7.626 1.00 0.00 C ATOM 0 H ALA A 77 -0.842 12.413 -5.090 1.00 0.00 H new ATOM 0 HA ALA A 77 -3.471 12.403 -6.498 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -2.603 10.748 -8.114 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -1.747 12.300 -8.273 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -0.969 10.937 -7.436 1.00 0.00 H new ATOM 970 N LEU A 78 -3.872 10.051 -5.504 1.00 0.00 N ATOM 971 CA LEU A 78 -4.146 8.880 -4.622 1.00 0.00 C ATOM 972 C LEU A 78 -4.413 7.641 -5.472 1.00 0.00 C ATOM 973 O LEU A 78 -4.892 7.728 -6.583 1.00 0.00 O ATOM 974 CB LEU A 78 -5.365 9.174 -3.748 1.00 0.00 C ATOM 975 CG LEU A 78 -5.037 10.308 -2.776 1.00 0.00 C ATOM 976 CD1 LEU A 78 -5.461 11.646 -3.386 1.00 0.00 C ATOM 977 CD2 LEU A 78 -5.793 10.086 -1.466 1.00 0.00 C ATOM 0 H LEU A 78 -4.609 10.274 -6.172 1.00 0.00 H new ATOM 0 HA LEU A 78 -3.278 8.698 -3.988 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -6.215 9.451 -4.372 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -5.653 8.280 -3.196 1.00 0.00 H new ATOM 0 HG LEU A 78 -3.964 10.322 -2.583 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -5.226 12.453 -2.692 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -4.925 11.805 -4.322 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -6.534 11.634 -3.579 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -5.561 10.893 -0.771 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -6.865 10.073 -1.662 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -5.493 9.134 -1.029 1.00 0.00 H new ATOM 989 N LEU A 79 -4.092 6.486 -4.955 1.00 0.00 N ATOM 990 CA LEU A 79 -4.307 5.237 -5.727 1.00 0.00 C ATOM 991 C LEU A 79 -4.915 4.166 -4.828 1.00 0.00 C ATOM 992 O LEU A 79 -4.811 4.218 -3.618 1.00 0.00 O ATOM 993 CB LEU A 79 -2.955 4.744 -6.243 1.00 0.00 C ATOM 994 CG LEU A 79 -3.028 4.390 -7.725 1.00 0.00 C ATOM 995 CD1 LEU A 79 -3.145 2.877 -7.876 1.00 0.00 C ATOM 996 CD2 LEU A 79 -4.226 5.080 -8.375 1.00 0.00 C ATOM 0 H LEU A 79 -3.689 6.357 -4.027 1.00 0.00 H new ATOM 0 HA LEU A 79 -4.985 5.434 -6.557 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -2.200 5.514 -6.087 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -2.641 3.870 -5.672 1.00 0.00 H new ATOM 0 HG LEU A 79 -2.122 4.734 -8.223 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -3.197 2.620 -8.934 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -2.274 2.398 -7.429 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -4.048 2.530 -7.373 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -4.267 4.819 -9.433 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -5.144 4.754 -7.885 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -4.124 6.160 -8.272 1.00 0.00 H new ATOM 1008 N GLY A 80 -5.542 3.191 -5.427 1.00 0.00 N ATOM 1009 CA GLY A 80 -6.167 2.092 -4.643 1.00 0.00 C ATOM 1010 C GLY A 80 -6.542 0.945 -5.591 1.00 0.00 C ATOM 1011 O GLY A 80 -7.647 0.886 -6.091 1.00 0.00 O ATOM 0 H GLY A 80 -5.648 3.110 -6.438 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -5.476 1.737 -3.878 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -7.054 2.457 -4.126 1.00 0.00 H new ATOM 1015 N THR A 81 -5.634 0.036 -5.846 1.00 0.00 N ATOM 1016 CA THR A 81 -5.953 -1.094 -6.774 1.00 0.00 C ATOM 1017 C THR A 81 -6.117 -2.399 -5.988 1.00 0.00 C ATOM 1018 O THR A 81 -6.080 -2.420 -4.776 1.00 0.00 O ATOM 1019 CB THR A 81 -4.820 -1.272 -7.801 1.00 0.00 C ATOM 1020 OG1 THR A 81 -3.982 -2.348 -7.402 1.00 0.00 O ATOM 1021 CG2 THR A 81 -3.981 0.001 -7.902 1.00 0.00 C ATOM 0 H THR A 81 -4.692 0.026 -5.455 1.00 0.00 H new ATOM 0 HA THR A 81 -6.884 -0.859 -7.289 1.00 0.00 H new ATOM 0 HB THR A 81 -5.264 -1.483 -8.774 1.00 0.00 H new ATOM 0 HG1 THR A 81 -3.724 -2.871 -8.189 1.00 0.00 H new ATOM 0 HG21 THR A 81 -3.185 -0.145 -8.633 1.00 0.00 H new ATOM 0 HG22 THR A 81 -4.615 0.830 -8.216 1.00 0.00 H new ATOM 0 HG23 THR A 81 -3.543 0.227 -6.929 1.00 0.00 H new ATOM 1029 N ASP A 82 -6.289 -3.490 -6.688 1.00 0.00 N ATOM 1030 CA ASP A 82 -6.442 -4.815 -6.024 1.00 0.00 C ATOM 1031 C ASP A 82 -5.905 -5.881 -6.979 1.00 0.00 C ATOM 1032 O ASP A 82 -6.069 -5.777 -8.179 1.00 0.00 O ATOM 1033 CB ASP A 82 -7.919 -5.082 -5.728 1.00 0.00 C ATOM 1034 CG ASP A 82 -8.133 -5.149 -4.215 1.00 0.00 C ATOM 1035 OD1 ASP A 82 -8.351 -4.108 -3.624 1.00 0.00 O ATOM 1036 OD2 ASP A 82 -8.073 -6.241 -3.676 1.00 0.00 O ATOM 0 H ASP A 82 -6.330 -3.517 -7.707 1.00 0.00 H new ATOM 0 HA ASP A 82 -5.893 -4.834 -5.083 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -8.535 -4.293 -6.158 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -8.230 -6.018 -6.192 1.00 0.00 H new ATOM 1041 N VAL A 83 -5.260 -6.900 -6.481 1.00 0.00 N ATOM 1042 CA VAL A 83 -4.723 -7.939 -7.396 1.00 0.00 C ATOM 1043 C VAL A 83 -5.172 -9.322 -6.923 1.00 0.00 C ATOM 1044 O VAL A 83 -5.276 -9.578 -5.744 1.00 0.00 O ATOM 1045 CB VAL A 83 -3.188 -7.877 -7.426 1.00 0.00 C ATOM 1046 CG1 VAL A 83 -2.647 -6.976 -6.309 1.00 0.00 C ATOM 1047 CG2 VAL A 83 -2.629 -9.277 -7.220 1.00 0.00 C ATOM 0 H VAL A 83 -5.084 -7.055 -5.488 1.00 0.00 H new ATOM 0 HA VAL A 83 -5.104 -7.757 -8.401 1.00 0.00 H new ATOM 0 HB VAL A 83 -2.884 -7.470 -8.390 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -1.558 -6.952 -6.356 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -3.038 -5.966 -6.435 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -2.960 -7.368 -5.341 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -1.540 -9.240 -7.240 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -2.961 -9.663 -6.256 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -2.985 -9.932 -8.016 1.00 0.00 H new ATOM 1057 N GLN A 84 -5.430 -10.215 -7.839 1.00 0.00 N ATOM 1058 CA GLN A 84 -5.866 -11.587 -7.445 1.00 0.00 C ATOM 1059 C GLN A 84 -4.741 -12.582 -7.751 1.00 0.00 C ATOM 1060 O GLN A 84 -4.718 -13.216 -8.788 1.00 0.00 O ATOM 1061 CB GLN A 84 -7.133 -11.972 -8.223 1.00 0.00 C ATOM 1062 CG GLN A 84 -6.879 -11.862 -9.730 1.00 0.00 C ATOM 1063 CD GLN A 84 -8.079 -11.199 -10.407 1.00 0.00 C ATOM 1064 OE1 GLN A 84 -9.064 -11.849 -10.696 1.00 0.00 O ATOM 1065 NE2 GLN A 84 -8.036 -9.924 -10.679 1.00 0.00 N ATOM 0 H GLN A 84 -5.358 -10.055 -8.844 1.00 0.00 H new ATOM 0 HA GLN A 84 -6.087 -11.608 -6.378 1.00 0.00 H new ATOM 0 HB2 GLN A 84 -7.430 -12.990 -7.970 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -7.958 -11.319 -7.937 1.00 0.00 H new ATOM 0 HG2 GLN A 84 -5.977 -11.279 -9.915 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -6.711 -12.852 -10.154 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -7.209 -9.378 -10.436 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -8.829 -9.473 -11.134 1.00 0.00 H new ATOM 1074 N VAL A 85 -3.802 -12.722 -6.857 1.00 0.00 N ATOM 1075 CA VAL A 85 -2.678 -13.671 -7.098 1.00 0.00 C ATOM 1076 C VAL A 85 -3.204 -15.108 -7.038 1.00 0.00 C ATOM 1077 O VAL A 85 -3.941 -15.471 -6.146 1.00 0.00 O ATOM 1078 CB VAL A 85 -1.599 -13.468 -6.034 1.00 0.00 C ATOM 1079 CG1 VAL A 85 -0.413 -14.391 -6.320 1.00 0.00 C ATOM 1080 CG2 VAL A 85 -1.125 -12.015 -6.069 1.00 0.00 C ATOM 0 H VAL A 85 -3.764 -12.220 -5.970 1.00 0.00 H new ATOM 0 HA VAL A 85 -2.248 -13.486 -8.082 1.00 0.00 H new ATOM 0 HB VAL A 85 -2.011 -13.700 -5.052 1.00 0.00 H new ATOM 0 HG11 VAL A 85 0.354 -14.244 -5.560 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -0.747 -15.428 -6.302 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -0.000 -14.159 -7.302 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -0.355 -11.865 -5.312 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -0.715 -11.790 -7.053 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -1.967 -11.353 -5.867 1.00 0.00 H new ATOM 1090 N GLU A 86 -2.833 -15.922 -7.989 1.00 0.00 N ATOM 1091 CA GLU A 86 -3.316 -17.334 -7.998 1.00 0.00 C ATOM 1092 C GLU A 86 -2.136 -18.288 -7.799 1.00 0.00 C ATOM 1093 O GLU A 86 -0.994 -17.921 -7.976 1.00 0.00 O ATOM 1094 CB GLU A 86 -3.975 -17.632 -9.346 1.00 0.00 C ATOM 1095 CG GLU A 86 -4.978 -16.527 -9.686 1.00 0.00 C ATOM 1096 CD GLU A 86 -6.208 -16.656 -8.786 1.00 0.00 C ATOM 1097 OE1 GLU A 86 -7.018 -17.531 -9.044 1.00 0.00 O ATOM 1098 OE2 GLU A 86 -6.320 -15.875 -7.855 1.00 0.00 O ATOM 0 H GLU A 86 -2.216 -15.671 -8.761 1.00 0.00 H new ATOM 0 HA GLU A 86 -4.035 -17.473 -7.191 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -3.216 -17.700 -10.125 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -4.481 -18.597 -9.309 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -4.517 -15.549 -9.550 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -5.272 -16.598 -10.733 1.00 0.00 H new ATOM 1105 N ALA A 87 -2.407 -19.513 -7.439 1.00 0.00 N ATOM 1106 CA ALA A 87 -1.304 -20.497 -7.238 1.00 0.00 C ATOM 1107 C ALA A 87 -1.591 -21.756 -8.058 1.00 0.00 C ATOM 1108 O ALA A 87 -0.817 -22.135 -8.913 1.00 0.00 O ATOM 1109 CB ALA A 87 -1.206 -20.865 -5.757 1.00 0.00 C ATOM 0 H ALA A 87 -3.346 -19.876 -7.275 1.00 0.00 H new ATOM 0 HA ALA A 87 -0.362 -20.056 -7.563 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -0.399 -21.584 -5.613 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -1.001 -19.968 -5.172 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -2.147 -21.305 -5.428 1.00 0.00 H new