USER MOD reduce.3.24.130724 H: found=0, std=0, add=618, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 616 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 3 GLN : amide:sc=-0.00656 X(o=-0.0066,f=0) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 GLN : amide:sc= -1.62! C(o=-1.6!,f=-6.1!) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 CYS SG : rot 180:sc= -0.134 USER MOD Single : A 11 MET CE :methyl -131:sc= 0 (180deg=-1.59) USER MOD Single : A 13 CYS SG : rot 180:sc=-0.00684 USER MOD Single : A 14 HIS : no HE2:sc= -1.81! C(o=-1.8!,f=-3.7!) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 142:sc= 0.0565 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 TYR OH : rot -162:sc= -2.02! USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 TYR OH : rot 30:sc=-0.000694 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 SER OG : rot 140:sc= -0.869 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 59 MET CE :methyl 171:sc= 0 (180deg=-0.0536) USER MOD Single : A 62 GLN : amide:sc= -0.0214 K(o=-0.021,f=-0.53) USER MOD Single : A 63 ASN : amide:sc= -0.544 X(o=-0.54,f=-0.98) USER MOD Single : A 65 THR OG1 : rot 180:sc= -0.442 USER MOD Single : A 70 LYS NZ :NH3+ 169:sc= -0.18 (180deg=-0.39) USER MOD Single : A 71 GLN :FLIP amide:sc= -0.894 F(o=-3.1,f=-0.89) USER MOD Single : A 74 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 17 N GLU A 2 62.635 -10.433 7.872 1.00 0.00 N ATOM 18 CA GLU A 2 62.467 -9.448 8.979 1.00 0.00 C ATOM 19 C GLU A 2 63.597 -9.633 9.997 1.00 0.00 C ATOM 20 O GLU A 2 64.408 -10.529 9.874 1.00 0.00 O ATOM 21 CB GLU A 2 61.118 -9.672 9.669 1.00 0.00 C ATOM 22 CG GLU A 2 59.986 -9.251 8.729 1.00 0.00 C ATOM 23 CD GLU A 2 59.303 -10.496 8.159 1.00 0.00 C ATOM 24 OE1 GLU A 2 59.826 -11.051 7.207 1.00 0.00 O ATOM 25 OE2 GLU A 2 58.269 -10.876 8.685 1.00 0.00 O ATOM 0 HA GLU A 2 62.500 -8.437 8.573 1.00 0.00 H new ATOM 0 HB2 GLU A 2 61.007 -10.722 9.941 1.00 0.00 H new ATOM 0 HB3 GLU A 2 61.070 -9.096 10.593 1.00 0.00 H new ATOM 0 HG2 GLU A 2 59.261 -8.640 9.267 1.00 0.00 H new ATOM 0 HG3 GLU A 2 60.381 -8.638 7.919 1.00 0.00 H new ATOM 32 N GLN A 3 63.650 -8.793 11.001 1.00 0.00 N ATOM 33 CA GLN A 3 64.721 -8.910 12.038 1.00 0.00 C ATOM 34 C GLN A 3 66.004 -8.232 11.550 1.00 0.00 C ATOM 35 O GLN A 3 66.662 -7.526 12.289 1.00 0.00 O ATOM 36 CB GLN A 3 65.001 -10.388 12.335 1.00 0.00 C ATOM 37 CG GLN A 3 65.341 -10.559 13.818 1.00 0.00 C ATOM 38 CD GLN A 3 64.318 -11.491 14.473 1.00 0.00 C ATOM 39 OE1 GLN A 3 63.602 -11.092 15.369 1.00 0.00 O ATOM 40 NE2 GLN A 3 64.219 -12.725 14.060 1.00 0.00 N ATOM 0 H GLN A 3 62.993 -8.027 11.147 1.00 0.00 H new ATOM 0 HA GLN A 3 64.382 -8.417 12.949 1.00 0.00 H new ATOM 0 HB2 GLN A 3 64.130 -10.992 12.079 1.00 0.00 H new ATOM 0 HB3 GLN A 3 65.827 -10.743 11.719 1.00 0.00 H new ATOM 0 HG2 GLN A 3 66.345 -10.970 13.927 1.00 0.00 H new ATOM 0 HG3 GLN A 3 65.337 -9.590 14.317 1.00 0.00 H new ATOM 0 HE21 GLN A 3 64.820 -13.061 13.307 1.00 0.00 H new ATOM 0 HE22 GLN A 3 63.540 -13.354 14.490 1.00 0.00 H new ATOM 49 N LEU A 4 66.369 -8.438 10.316 1.00 0.00 N ATOM 50 CA LEU A 4 67.613 -7.805 9.792 1.00 0.00 C ATOM 51 C LEU A 4 67.391 -6.300 9.623 1.00 0.00 C ATOM 52 O LEU A 4 68.282 -5.504 9.845 1.00 0.00 O ATOM 53 CB LEU A 4 67.972 -8.424 8.438 1.00 0.00 C ATOM 54 CG LEU A 4 68.684 -9.760 8.659 1.00 0.00 C ATOM 55 CD1 LEU A 4 68.486 -10.653 7.433 1.00 0.00 C ATOM 56 CD2 LEU A 4 70.179 -9.511 8.868 1.00 0.00 C ATOM 0 H LEU A 4 65.861 -9.017 9.647 1.00 0.00 H new ATOM 0 HA LEU A 4 68.428 -7.974 10.496 1.00 0.00 H new ATOM 0 HB2 LEU A 4 67.070 -8.574 7.845 1.00 0.00 H new ATOM 0 HB3 LEU A 4 68.614 -7.746 7.875 1.00 0.00 H new ATOM 0 HG LEU A 4 68.268 -10.251 9.539 1.00 0.00 H new ATOM 0 HD11 LEU A 4 68.993 -11.605 7.590 1.00 0.00 H new ATOM 0 HD12 LEU A 4 67.421 -10.830 7.280 1.00 0.00 H new ATOM 0 HD13 LEU A 4 68.902 -10.161 6.554 1.00 0.00 H new ATOM 0 HD21 LEU A 4 70.688 -10.462 9.026 1.00 0.00 H new ATOM 0 HD22 LEU A 4 70.593 -9.020 7.987 1.00 0.00 H new ATOM 0 HD23 LEU A 4 70.323 -8.873 9.740 1.00 0.00 H new ATOM 68 N ALA A 5 66.210 -5.903 9.234 1.00 0.00 N ATOM 69 CA ALA A 5 65.937 -4.448 9.053 1.00 0.00 C ATOM 70 C ALA A 5 65.189 -3.909 10.274 1.00 0.00 C ATOM 71 O ALA A 5 64.649 -2.821 10.250 1.00 0.00 O ATOM 72 CB ALA A 5 65.081 -4.242 7.802 1.00 0.00 C ATOM 0 H ALA A 5 65.424 -6.521 9.034 1.00 0.00 H new ATOM 0 HA ALA A 5 66.881 -3.915 8.942 1.00 0.00 H new ATOM 0 HB1 ALA A 5 64.881 -3.179 7.669 1.00 0.00 H new ATOM 0 HB2 ALA A 5 65.613 -4.623 6.930 1.00 0.00 H new ATOM 0 HB3 ALA A 5 64.138 -4.777 7.914 1.00 0.00 H new ATOM 78 N LYS A 6 65.149 -4.659 11.340 1.00 0.00 N ATOM 79 CA LYS A 6 64.433 -4.183 12.555 1.00 0.00 C ATOM 80 C LYS A 6 65.433 -3.553 13.528 1.00 0.00 C ATOM 81 O LYS A 6 65.058 -2.951 14.514 1.00 0.00 O ATOM 82 CB LYS A 6 63.740 -5.365 13.236 1.00 0.00 C ATOM 83 CG LYS A 6 62.723 -4.843 14.252 1.00 0.00 C ATOM 84 CD LYS A 6 63.250 -5.074 15.670 1.00 0.00 C ATOM 85 CE LYS A 6 62.621 -4.053 16.620 1.00 0.00 C ATOM 86 NZ LYS A 6 62.947 -4.419 18.027 1.00 0.00 N ATOM 0 H LYS A 6 65.581 -5.580 11.422 1.00 0.00 H new ATOM 0 HA LYS A 6 63.689 -3.440 12.266 1.00 0.00 H new ATOM 0 HB2 LYS A 6 63.241 -5.986 12.492 1.00 0.00 H new ATOM 0 HB3 LYS A 6 64.477 -5.995 13.734 1.00 0.00 H new ATOM 0 HG2 LYS A 6 62.543 -3.780 14.089 1.00 0.00 H new ATOM 0 HG3 LYS A 6 61.768 -5.352 14.120 1.00 0.00 H new ATOM 0 HD2 LYS A 6 63.012 -6.086 15.997 1.00 0.00 H new ATOM 0 HD3 LYS A 6 64.336 -4.981 15.686 1.00 0.00 H new ATOM 0 HE2 LYS A 6 62.995 -3.054 16.397 1.00 0.00 H new ATOM 0 HE3 LYS A 6 61.540 -4.028 16.480 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 62.520 -3.726 18.674 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 62.570 -5.365 18.236 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 63.979 -4.422 18.155 1.00 0.00 H new ATOM 100 N GLN A 7 66.704 -3.689 13.260 1.00 0.00 N ATOM 101 CA GLN A 7 67.721 -3.105 14.168 1.00 0.00 C ATOM 102 C GLN A 7 68.440 -1.950 13.468 1.00 0.00 C ATOM 103 O GLN A 7 68.822 -0.978 14.088 1.00 0.00 O ATOM 104 CB GLN A 7 68.739 -4.181 14.557 1.00 0.00 C ATOM 105 CG GLN A 7 68.926 -5.155 13.391 1.00 0.00 C ATOM 106 CD GLN A 7 70.057 -6.132 13.717 1.00 0.00 C ATOM 107 OE1 GLN A 7 71.195 -5.901 13.363 1.00 0.00 O ATOM 108 NE2 GLN A 7 69.788 -7.221 14.384 1.00 0.00 N ATOM 0 H GLN A 7 67.078 -4.181 12.449 1.00 0.00 H new ATOM 0 HA GLN A 7 67.228 -2.730 15.065 1.00 0.00 H new ATOM 0 HB2 GLN A 7 69.692 -3.719 14.814 1.00 0.00 H new ATOM 0 HB3 GLN A 7 68.396 -4.718 15.441 1.00 0.00 H new ATOM 0 HG2 GLN A 7 68.001 -5.701 13.208 1.00 0.00 H new ATOM 0 HG3 GLN A 7 69.158 -4.606 12.478 1.00 0.00 H new ATOM 0 HE21 GLN A 7 68.831 -7.414 14.681 1.00 0.00 H new ATOM 0 HE22 GLN A 7 70.534 -7.879 14.608 1.00 0.00 H new ATOM 117 N LYS A 8 68.628 -2.049 12.181 1.00 0.00 N ATOM 118 CA LYS A 8 69.324 -0.957 11.443 1.00 0.00 C ATOM 119 C LYS A 8 68.498 0.327 11.535 1.00 0.00 C ATOM 120 O LYS A 8 69.018 1.421 11.424 1.00 0.00 O ATOM 121 CB LYS A 8 69.491 -1.358 9.977 1.00 0.00 C ATOM 122 CG LYS A 8 70.930 -1.817 9.733 1.00 0.00 C ATOM 123 CD LYS A 8 71.037 -3.320 9.995 1.00 0.00 C ATOM 124 CE LYS A 8 71.693 -3.555 11.357 1.00 0.00 C ATOM 125 NZ LYS A 8 73.173 -3.450 11.220 1.00 0.00 N ATOM 0 H LYS A 8 68.330 -2.839 11.608 1.00 0.00 H new ATOM 0 HA LYS A 8 70.306 -0.787 11.884 1.00 0.00 H new ATOM 0 HB2 LYS A 8 68.795 -2.159 9.727 1.00 0.00 H new ATOM 0 HB3 LYS A 8 69.252 -0.515 9.329 1.00 0.00 H new ATOM 0 HG2 LYS A 8 71.225 -1.594 8.708 1.00 0.00 H new ATOM 0 HG3 LYS A 8 71.612 -1.274 10.387 1.00 0.00 H new ATOM 0 HD2 LYS A 8 70.047 -3.775 9.973 1.00 0.00 H new ATOM 0 HD3 LYS A 8 71.624 -3.796 9.210 1.00 0.00 H new ATOM 0 HE2 LYS A 8 71.331 -2.822 12.078 1.00 0.00 H new ATOM 0 HE3 LYS A 8 71.421 -4.539 11.739 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 73.620 -3.610 12.146 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 73.511 -4.165 10.545 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 73.423 -2.502 10.874 1.00 0.00 H new ATOM 139 N GLY A 9 67.216 0.205 11.739 1.00 0.00 N ATOM 140 CA GLY A 9 66.358 1.420 11.841 1.00 0.00 C ATOM 141 C GLY A 9 65.847 1.809 10.453 1.00 0.00 C ATOM 142 O GLY A 9 65.617 2.969 10.169 1.00 0.00 O ATOM 0 H GLY A 9 66.725 -0.683 11.840 1.00 0.00 H new ATOM 0 HA2 GLY A 9 65.517 1.228 12.508 1.00 0.00 H new ATOM 0 HA3 GLY A 9 66.927 2.243 12.274 1.00 0.00 H new ATOM 146 N CYS A 10 65.662 0.852 9.585 1.00 0.00 N ATOM 147 CA CYS A 10 65.162 1.172 8.217 1.00 0.00 C ATOM 148 C CYS A 10 63.652 1.426 8.274 1.00 0.00 C ATOM 149 O CYS A 10 63.120 2.226 7.530 1.00 0.00 O ATOM 150 CB CYS A 10 65.445 -0.004 7.280 1.00 0.00 C ATOM 151 SG CYS A 10 67.207 -0.419 7.336 1.00 0.00 S ATOM 0 H CYS A 10 65.835 -0.137 9.764 1.00 0.00 H new ATOM 0 HA CYS A 10 65.669 2.062 7.844 1.00 0.00 H new ATOM 0 HB2 CYS A 10 64.849 -0.868 7.574 1.00 0.00 H new ATOM 0 HB3 CYS A 10 65.154 0.252 6.261 1.00 0.00 H new ATOM 0 HG CYS A 10 67.443 -1.420 6.540 1.00 0.00 H new ATOM 156 N MET A 11 62.959 0.747 9.149 1.00 0.00 N ATOM 157 CA MET A 11 61.485 0.947 9.253 1.00 0.00 C ATOM 158 C MET A 11 61.195 2.251 9.998 1.00 0.00 C ATOM 159 O MET A 11 60.085 2.747 9.991 1.00 0.00 O ATOM 160 CB MET A 11 60.864 -0.224 10.019 1.00 0.00 C ATOM 161 CG MET A 11 60.956 -1.497 9.178 1.00 0.00 C ATOM 162 SD MET A 11 59.525 -1.596 8.076 1.00 0.00 S ATOM 163 CE MET A 11 59.708 -3.338 7.618 1.00 0.00 C ATOM 0 H MET A 11 63.350 0.063 9.796 1.00 0.00 H new ATOM 0 HA MET A 11 61.056 0.998 8.252 1.00 0.00 H new ATOM 0 HB2 MET A 11 61.381 -0.365 10.968 1.00 0.00 H new ATOM 0 HB3 MET A 11 59.822 -0.006 10.253 1.00 0.00 H new ATOM 0 HG2 MET A 11 61.877 -1.495 8.596 1.00 0.00 H new ATOM 0 HG3 MET A 11 60.990 -2.372 9.826 1.00 0.00 H new ATOM 0 HE1 MET A 11 59.646 -3.438 6.534 1.00 0.00 H new ATOM 0 HE2 MET A 11 60.675 -3.705 7.961 1.00 0.00 H new ATOM 0 HE3 MET A 11 58.913 -3.922 8.082 1.00 0.00 H new ATOM 173 N ALA A 12 62.181 2.811 10.642 1.00 0.00 N ATOM 174 CA ALA A 12 61.958 4.081 11.388 1.00 0.00 C ATOM 175 C ALA A 12 61.290 5.101 10.465 1.00 0.00 C ATOM 176 O ALA A 12 60.532 5.945 10.901 1.00 0.00 O ATOM 177 CB ALA A 12 63.301 4.633 11.869 1.00 0.00 C ATOM 0 H ALA A 12 63.132 2.444 10.684 1.00 0.00 H new ATOM 0 HA ALA A 12 61.315 3.890 12.247 1.00 0.00 H new ATOM 0 HB1 ALA A 12 63.138 5.562 12.415 1.00 0.00 H new ATOM 0 HB2 ALA A 12 63.779 3.906 12.525 1.00 0.00 H new ATOM 0 HB3 ALA A 12 63.944 4.825 11.010 1.00 0.00 H new ATOM 183 N CYS A 13 61.567 5.031 9.195 1.00 0.00 N ATOM 184 CA CYS A 13 60.951 5.996 8.244 1.00 0.00 C ATOM 185 C CYS A 13 60.169 5.229 7.177 1.00 0.00 C ATOM 186 O CYS A 13 59.061 5.586 6.827 1.00 0.00 O ATOM 187 CB CYS A 13 62.052 6.819 7.571 1.00 0.00 C ATOM 188 SG CYS A 13 63.108 7.566 8.838 1.00 0.00 S ATOM 0 H CYS A 13 62.194 4.346 8.773 1.00 0.00 H new ATOM 0 HA CYS A 13 60.277 6.660 8.785 1.00 0.00 H new ATOM 0 HB2 CYS A 13 62.647 6.183 6.915 1.00 0.00 H new ATOM 0 HB3 CYS A 13 61.610 7.596 6.947 1.00 0.00 H new ATOM 0 HG CYS A 13 64.044 8.263 8.266 1.00 0.00 H new ATOM 193 N HIS A 14 60.739 4.181 6.655 1.00 0.00 N ATOM 194 CA HIS A 14 60.032 3.395 5.608 1.00 0.00 C ATOM 195 C HIS A 14 58.847 2.653 6.228 1.00 0.00 C ATOM 196 O HIS A 14 58.494 2.867 7.370 1.00 0.00 O ATOM 197 CB HIS A 14 61.002 2.388 4.989 1.00 0.00 C ATOM 198 CG HIS A 14 61.768 3.054 3.881 1.00 0.00 C ATOM 199 ND1 HIS A 14 61.373 2.974 2.556 1.00 0.00 N ATOM 200 CD2 HIS A 14 62.906 3.821 3.886 1.00 0.00 C ATOM 201 CE1 HIS A 14 62.259 3.673 1.825 1.00 0.00 C ATOM 202 NE2 HIS A 14 63.214 4.211 2.587 1.00 0.00 N ATOM 0 H HIS A 14 61.664 3.834 6.908 1.00 0.00 H new ATOM 0 HA HIS A 14 59.665 4.070 4.835 1.00 0.00 H new ATOM 0 HB2 HIS A 14 61.689 2.014 5.748 1.00 0.00 H new ATOM 0 HB3 HIS A 14 60.455 1.528 4.603 1.00 0.00 H new ATOM 0 HD1 HIS A 14 60.558 2.475 2.199 1.00 0.00 H new ATOM 0 HD2 HIS A 14 63.476 4.082 4.765 1.00 0.00 H new ATOM 0 HE1 HIS A 14 62.205 3.785 0.752 1.00 0.00 H new ATOM 210 N ASP A 15 58.228 1.784 5.478 1.00 0.00 N ATOM 211 CA ASP A 15 57.063 1.028 6.014 1.00 0.00 C ATOM 212 C ASP A 15 56.382 0.277 4.868 1.00 0.00 C ATOM 213 O ASP A 15 56.124 0.834 3.820 1.00 0.00 O ATOM 214 CB ASP A 15 56.070 2.006 6.645 1.00 0.00 C ATOM 215 CG ASP A 15 55.900 1.676 8.129 1.00 0.00 C ATOM 216 OD1 ASP A 15 56.840 1.891 8.875 1.00 0.00 O ATOM 217 OD2 ASP A 15 54.831 1.213 8.494 1.00 0.00 O ATOM 0 H ASP A 15 58.480 1.565 4.514 1.00 0.00 H new ATOM 0 HA ASP A 15 57.400 0.317 6.768 1.00 0.00 H new ATOM 0 HB2 ASP A 15 56.427 3.029 6.528 1.00 0.00 H new ATOM 0 HB3 ASP A 15 55.108 1.944 6.135 1.00 0.00 H new ATOM 222 N LEU A 16 56.093 -0.982 5.057 1.00 0.00 N ATOM 223 CA LEU A 16 55.432 -1.765 3.976 1.00 0.00 C ATOM 224 C LEU A 16 54.331 -0.924 3.335 1.00 0.00 C ATOM 225 O LEU A 16 54.442 -0.494 2.205 1.00 0.00 O ATOM 226 CB LEU A 16 54.808 -3.028 4.569 1.00 0.00 C ATOM 227 CG LEU A 16 55.836 -4.163 4.569 1.00 0.00 C ATOM 228 CD1 LEU A 16 56.034 -4.674 3.141 1.00 0.00 C ATOM 229 CD2 LEU A 16 57.172 -3.649 5.111 1.00 0.00 C ATOM 0 H LEU A 16 56.286 -1.501 5.913 1.00 0.00 H new ATOM 0 HA LEU A 16 56.174 -2.036 3.225 1.00 0.00 H new ATOM 0 HB2 LEU A 16 54.467 -2.833 5.586 1.00 0.00 H new ATOM 0 HB3 LEU A 16 53.932 -3.319 3.989 1.00 0.00 H new ATOM 0 HG LEU A 16 55.475 -4.974 5.202 1.00 0.00 H new ATOM 0 HD11 LEU A 16 56.766 -5.482 3.142 1.00 0.00 H new ATOM 0 HD12 LEU A 16 55.085 -5.044 2.752 1.00 0.00 H new ATOM 0 HD13 LEU A 16 56.392 -3.861 2.510 1.00 0.00 H new ATOM 0 HD21 LEU A 16 57.901 -4.459 5.110 1.00 0.00 H new ATOM 0 HD22 LEU A 16 57.532 -2.836 4.480 1.00 0.00 H new ATOM 0 HD23 LEU A 16 57.036 -3.285 6.129 1.00 0.00 H new ATOM 241 N LYS A 17 53.266 -0.685 4.049 1.00 0.00 N ATOM 242 CA LYS A 17 52.161 0.127 3.477 1.00 0.00 C ATOM 243 C LYS A 17 51.805 1.265 4.437 1.00 0.00 C ATOM 244 O LYS A 17 50.649 1.530 4.698 1.00 0.00 O ATOM 245 CB LYS A 17 50.935 -0.758 3.253 1.00 0.00 C ATOM 246 CG LYS A 17 50.157 -0.253 2.037 1.00 0.00 C ATOM 247 CD LYS A 17 48.876 -1.073 1.876 1.00 0.00 C ATOM 248 CE LYS A 17 48.053 -0.513 0.715 1.00 0.00 C ATOM 249 NZ LYS A 17 47.105 -1.557 0.231 1.00 0.00 N ATOM 0 H LYS A 17 53.115 -1.017 5.002 1.00 0.00 H new ATOM 0 HA LYS A 17 52.481 0.548 2.524 1.00 0.00 H new ATOM 0 HB2 LYS A 17 51.243 -1.792 3.097 1.00 0.00 H new ATOM 0 HB3 LYS A 17 50.297 -0.745 4.137 1.00 0.00 H new ATOM 0 HG2 LYS A 17 49.913 0.802 2.160 1.00 0.00 H new ATOM 0 HG3 LYS A 17 50.770 -0.336 1.139 1.00 0.00 H new ATOM 0 HD2 LYS A 17 49.122 -2.118 1.690 1.00 0.00 H new ATOM 0 HD3 LYS A 17 48.294 -1.042 2.797 1.00 0.00 H new ATOM 0 HE2 LYS A 17 47.504 0.371 1.038 1.00 0.00 H new ATOM 0 HE3 LYS A 17 48.712 -0.201 -0.095 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 46.544 -1.178 -0.559 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 47.640 -2.389 -0.092 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 46.469 -1.834 1.006 1.00 0.00 H new ATOM 263 N ALA A 18 52.791 1.940 4.962 1.00 0.00 N ATOM 264 CA ALA A 18 52.509 3.062 5.902 1.00 0.00 C ATOM 265 C ALA A 18 53.666 4.060 5.858 1.00 0.00 C ATOM 266 O ALA A 18 54.312 4.324 6.852 1.00 0.00 O ATOM 267 CB ALA A 18 52.362 2.518 7.321 1.00 0.00 C ATOM 0 H ALA A 18 53.779 1.763 4.781 1.00 0.00 H new ATOM 0 HA ALA A 18 51.584 3.558 5.608 1.00 0.00 H new ATOM 0 HB1 ALA A 18 52.156 3.340 8.006 1.00 0.00 H new ATOM 0 HB2 ALA A 18 51.539 1.804 7.353 1.00 0.00 H new ATOM 0 HB3 ALA A 18 53.286 2.021 7.618 1.00 0.00 H new ATOM 273 N LYS A 19 53.931 4.611 4.710 1.00 0.00 N ATOM 274 CA LYS A 19 55.048 5.590 4.591 1.00 0.00 C ATOM 275 C LYS A 19 54.940 6.637 5.701 1.00 0.00 C ATOM 276 O LYS A 19 54.157 7.562 5.621 1.00 0.00 O ATOM 277 CB LYS A 19 54.969 6.286 3.232 1.00 0.00 C ATOM 278 CG LYS A 19 53.534 6.755 2.983 1.00 0.00 C ATOM 279 CD LYS A 19 52.962 6.016 1.773 1.00 0.00 C ATOM 280 CE LYS A 19 52.431 7.032 0.762 1.00 0.00 C ATOM 281 NZ LYS A 19 52.754 6.576 -0.620 1.00 0.00 N ATOM 0 H LYS A 19 53.422 4.427 3.845 1.00 0.00 H new ATOM 0 HA LYS A 19 55.998 5.064 4.682 1.00 0.00 H new ATOM 0 HB2 LYS A 19 55.651 7.136 3.206 1.00 0.00 H new ATOM 0 HB3 LYS A 19 55.282 5.603 2.443 1.00 0.00 H new ATOM 0 HG2 LYS A 19 52.920 6.565 3.863 1.00 0.00 H new ATOM 0 HG3 LYS A 19 53.516 7.831 2.808 1.00 0.00 H new ATOM 0 HD2 LYS A 19 53.733 5.398 1.313 1.00 0.00 H new ATOM 0 HD3 LYS A 19 52.161 5.346 2.087 1.00 0.00 H new ATOM 0 HE2 LYS A 19 51.353 7.145 0.876 1.00 0.00 H new ATOM 0 HE3 LYS A 19 52.875 8.010 0.946 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 51.961 6.801 -1.254 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 53.612 7.060 -0.954 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 52.915 5.549 -0.618 1.00 0.00 H new ATOM 295 N LYS A 20 55.732 6.507 6.729 1.00 0.00 N ATOM 296 CA LYS A 20 55.687 7.503 7.836 1.00 0.00 C ATOM 297 C LYS A 20 56.611 8.667 7.483 1.00 0.00 C ATOM 298 O LYS A 20 56.172 9.768 7.215 1.00 0.00 O ATOM 299 CB LYS A 20 56.159 6.847 9.135 1.00 0.00 C ATOM 300 CG LYS A 20 55.688 7.680 10.329 1.00 0.00 C ATOM 301 CD LYS A 20 54.171 7.545 10.480 1.00 0.00 C ATOM 302 CE LYS A 20 53.562 8.919 10.764 1.00 0.00 C ATOM 303 NZ LYS A 20 52.087 8.862 10.557 1.00 0.00 N ATOM 0 H LYS A 20 56.409 5.754 6.850 1.00 0.00 H new ATOM 0 HA LYS A 20 54.668 7.865 7.971 1.00 0.00 H new ATOM 0 HB2 LYS A 20 55.764 5.833 9.207 1.00 0.00 H new ATOM 0 HB3 LYS A 20 57.246 6.767 9.140 1.00 0.00 H new ATOM 0 HG2 LYS A 20 56.186 7.345 11.239 1.00 0.00 H new ATOM 0 HG3 LYS A 20 55.958 8.726 10.185 1.00 0.00 H new ATOM 0 HD2 LYS A 20 53.740 7.126 9.571 1.00 0.00 H new ATOM 0 HD3 LYS A 20 53.936 6.856 11.291 1.00 0.00 H new ATOM 0 HE2 LYS A 20 53.785 9.223 11.787 1.00 0.00 H new ATOM 0 HE3 LYS A 20 54.004 9.667 10.106 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 51.673 9.796 10.750 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 51.885 8.590 9.574 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 51.673 8.160 11.203 1.00 0.00 H new ATOM 317 N VAL A 21 57.889 8.422 7.469 1.00 0.00 N ATOM 318 CA VAL A 21 58.854 9.501 7.118 1.00 0.00 C ATOM 319 C VAL A 21 59.323 9.298 5.675 1.00 0.00 C ATOM 320 O VAL A 21 59.305 10.208 4.870 1.00 0.00 O ATOM 321 CB VAL A 21 60.057 9.437 8.061 1.00 0.00 C ATOM 322 CG1 VAL A 21 61.182 10.319 7.516 1.00 0.00 C ATOM 323 CG2 VAL A 21 59.648 9.937 9.448 1.00 0.00 C ATOM 0 H VAL A 21 58.310 7.519 7.686 1.00 0.00 H new ATOM 0 HA VAL A 21 58.372 10.474 7.216 1.00 0.00 H new ATOM 0 HB VAL A 21 60.404 8.406 8.133 1.00 0.00 H new ATOM 0 HG11 VAL A 21 62.039 10.273 8.188 1.00 0.00 H new ATOM 0 HG12 VAL A 21 61.476 9.964 6.528 1.00 0.00 H new ATOM 0 HG13 VAL A 21 60.834 11.349 7.442 1.00 0.00 H new ATOM 0 HG21 VAL A 21 60.506 9.891 10.119 1.00 0.00 H new ATOM 0 HG22 VAL A 21 59.299 10.967 9.375 1.00 0.00 H new ATOM 0 HG23 VAL A 21 58.847 9.310 9.839 1.00 0.00 H new ATOM 333 N GLY A 22 59.737 8.106 5.343 1.00 0.00 N ATOM 334 CA GLY A 22 60.200 7.832 3.953 1.00 0.00 C ATOM 335 C GLY A 22 59.071 7.157 3.169 1.00 0.00 C ATOM 336 O GLY A 22 57.965 7.044 3.655 1.00 0.00 O ATOM 0 H GLY A 22 59.775 7.307 5.977 1.00 0.00 H new ATOM 0 HA2 GLY A 22 60.492 8.762 3.465 1.00 0.00 H new ATOM 0 HA3 GLY A 22 61.081 7.190 3.970 1.00 0.00 H new ATOM 340 N PRO A 23 59.389 6.722 1.976 1.00 0.00 N ATOM 341 CA PRO A 23 58.422 6.046 1.097 1.00 0.00 C ATOM 342 C PRO A 23 58.218 4.599 1.552 1.00 0.00 C ATOM 343 O PRO A 23 59.118 3.972 2.073 1.00 0.00 O ATOM 344 CB PRO A 23 59.091 6.097 -0.280 1.00 0.00 C ATOM 345 CG PRO A 23 60.605 6.276 -0.021 1.00 0.00 C ATOM 346 CD PRO A 23 60.741 6.864 1.396 1.00 0.00 C ATOM 0 HA PRO A 23 57.436 6.511 1.101 1.00 0.00 H new ATOM 0 HB2 PRO A 23 58.898 5.182 -0.840 1.00 0.00 H new ATOM 0 HB3 PRO A 23 58.698 6.923 -0.873 1.00 0.00 H new ATOM 0 HG2 PRO A 23 61.127 5.322 -0.097 1.00 0.00 H new ATOM 0 HG3 PRO A 23 61.049 6.942 -0.761 1.00 0.00 H new ATOM 0 HD2 PRO A 23 61.485 6.324 1.982 1.00 0.00 H new ATOM 0 HD3 PRO A 23 61.055 7.908 1.366 1.00 0.00 H new ATOM 354 N ALA A 24 57.044 4.064 1.365 1.00 0.00 N ATOM 355 CA ALA A 24 56.790 2.660 1.793 1.00 0.00 C ATOM 356 C ALA A 24 57.591 1.704 0.907 1.00 0.00 C ATOM 357 O ALA A 24 57.649 1.859 -0.297 1.00 0.00 O ATOM 358 CB ALA A 24 55.298 2.348 1.659 1.00 0.00 C ATOM 0 H ALA A 24 56.250 4.538 0.935 1.00 0.00 H new ATOM 0 HA ALA A 24 57.096 2.536 2.832 1.00 0.00 H new ATOM 0 HB1 ALA A 24 55.112 1.321 1.972 1.00 0.00 H new ATOM 0 HB2 ALA A 24 54.726 3.029 2.289 1.00 0.00 H new ATOM 0 HB3 ALA A 24 54.992 2.472 0.620 1.00 0.00 H new ATOM 364 N TYR A 25 58.209 0.713 1.492 1.00 0.00 N ATOM 365 CA TYR A 25 59.001 -0.251 0.684 1.00 0.00 C ATOM 366 C TYR A 25 58.162 -0.729 -0.503 1.00 0.00 C ATOM 367 O TYR A 25 58.645 -0.845 -1.610 1.00 0.00 O ATOM 368 CB TYR A 25 59.369 -1.450 1.557 1.00 0.00 C ATOM 369 CG TYR A 25 60.391 -1.038 2.591 1.00 0.00 C ATOM 370 CD1 TYR A 25 61.648 -0.571 2.189 1.00 0.00 C ATOM 371 CD2 TYR A 25 60.083 -1.135 3.953 1.00 0.00 C ATOM 372 CE1 TYR A 25 62.596 -0.196 3.150 1.00 0.00 C ATOM 373 CE2 TYR A 25 61.031 -0.762 4.913 1.00 0.00 C ATOM 374 CZ TYR A 25 62.286 -0.293 4.512 1.00 0.00 C ATOM 375 OH TYR A 25 63.221 0.071 5.460 1.00 0.00 O ATOM 0 H TYR A 25 58.198 0.532 2.496 1.00 0.00 H new ATOM 0 HA TYR A 25 59.907 0.232 0.318 1.00 0.00 H new ATOM 0 HB2 TYR A 25 58.478 -1.840 2.049 1.00 0.00 H new ATOM 0 HB3 TYR A 25 59.769 -2.253 0.938 1.00 0.00 H new ATOM 0 HD1 TYR A 25 61.887 -0.500 1.138 1.00 0.00 H new ATOM 0 HD2 TYR A 25 59.114 -1.498 4.263 1.00 0.00 H new ATOM 0 HE1 TYR A 25 63.565 0.167 2.841 1.00 0.00 H new ATOM 0 HE2 TYR A 25 60.793 -0.836 5.964 1.00 0.00 H new ATOM 0 HH TYR A 25 62.976 -0.316 6.327 1.00 0.00 H new ATOM 385 N ALA A 26 56.909 -1.013 -0.274 1.00 0.00 N ATOM 386 CA ALA A 26 56.034 -1.492 -1.382 1.00 0.00 C ATOM 387 C ALA A 26 56.093 -0.512 -2.557 1.00 0.00 C ATOM 388 O ALA A 26 56.257 -0.905 -3.695 1.00 0.00 O ATOM 389 CB ALA A 26 54.592 -1.592 -0.879 1.00 0.00 C ATOM 0 H ALA A 26 56.452 -0.934 0.635 1.00 0.00 H new ATOM 0 HA ALA A 26 56.380 -2.471 -1.715 1.00 0.00 H new ATOM 0 HB1 ALA A 26 53.949 -1.942 -1.686 1.00 0.00 H new ATOM 0 HB2 ALA A 26 54.545 -2.294 -0.047 1.00 0.00 H new ATOM 0 HB3 ALA A 26 54.254 -0.611 -0.545 1.00 0.00 H new ATOM 395 N ASP A 27 55.955 0.759 -2.296 1.00 0.00 N ATOM 396 CA ASP A 27 55.995 1.756 -3.401 1.00 0.00 C ATOM 397 C ASP A 27 57.340 1.669 -4.127 1.00 0.00 C ATOM 398 O ASP A 27 57.400 1.609 -5.339 1.00 0.00 O ATOM 399 CB ASP A 27 55.815 3.160 -2.821 1.00 0.00 C ATOM 400 CG ASP A 27 54.327 3.511 -2.786 1.00 0.00 C ATOM 401 OD1 ASP A 27 53.711 3.497 -3.840 1.00 0.00 O ATOM 402 OD2 ASP A 27 53.828 3.786 -1.707 1.00 0.00 O ATOM 0 H ASP A 27 55.816 1.150 -1.364 1.00 0.00 H new ATOM 0 HA ASP A 27 55.193 1.547 -4.108 1.00 0.00 H new ATOM 0 HB2 ASP A 27 56.234 3.206 -1.816 1.00 0.00 H new ATOM 0 HB3 ASP A 27 56.357 3.887 -3.426 1.00 0.00 H new ATOM 407 N VAL A 28 58.421 1.666 -3.395 1.00 0.00 N ATOM 408 CA VAL A 28 59.762 1.589 -4.044 1.00 0.00 C ATOM 409 C VAL A 28 59.822 0.369 -4.965 1.00 0.00 C ATOM 410 O VAL A 28 60.403 0.412 -6.032 1.00 0.00 O ATOM 411 CB VAL A 28 60.841 1.465 -2.968 1.00 0.00 C ATOM 412 CG1 VAL A 28 62.186 1.155 -3.627 1.00 0.00 C ATOM 413 CG2 VAL A 28 60.943 2.781 -2.195 1.00 0.00 C ATOM 0 H VAL A 28 58.434 1.713 -2.376 1.00 0.00 H new ATOM 0 HA VAL A 28 59.930 2.492 -4.630 1.00 0.00 H new ATOM 0 HB VAL A 28 60.579 0.660 -2.282 1.00 0.00 H new ATOM 0 HG11 VAL A 28 62.955 1.067 -2.860 1.00 0.00 H new ATOM 0 HG12 VAL A 28 62.114 0.217 -4.178 1.00 0.00 H new ATOM 0 HG13 VAL A 28 62.449 1.960 -4.313 1.00 0.00 H new ATOM 0 HG21 VAL A 28 61.712 2.694 -1.428 1.00 0.00 H new ATOM 0 HG22 VAL A 28 61.205 3.587 -2.881 1.00 0.00 H new ATOM 0 HG23 VAL A 28 59.985 3.002 -1.725 1.00 0.00 H new ATOM 423 N ALA A 29 59.233 -0.722 -4.559 1.00 0.00 N ATOM 424 CA ALA A 29 59.261 -1.947 -5.405 1.00 0.00 C ATOM 425 C ALA A 29 58.572 -1.665 -6.741 1.00 0.00 C ATOM 426 O ALA A 29 59.099 -1.955 -7.797 1.00 0.00 O ATOM 427 CB ALA A 29 58.525 -3.079 -4.685 1.00 0.00 C ATOM 0 H ALA A 29 58.732 -0.817 -3.675 1.00 0.00 H new ATOM 0 HA ALA A 29 60.296 -2.238 -5.585 1.00 0.00 H new ATOM 0 HB1 ALA A 29 58.545 -3.977 -5.303 1.00 0.00 H new ATOM 0 HB2 ALA A 29 59.014 -3.283 -3.733 1.00 0.00 H new ATOM 0 HB3 ALA A 29 57.491 -2.784 -4.506 1.00 0.00 H new ATOM 433 N LYS A 30 57.394 -1.108 -6.702 1.00 0.00 N ATOM 434 CA LYS A 30 56.664 -0.813 -7.966 1.00 0.00 C ATOM 435 C LYS A 30 57.469 0.173 -8.814 1.00 0.00 C ATOM 436 O LYS A 30 57.341 0.215 -10.021 1.00 0.00 O ATOM 437 CB LYS A 30 55.302 -0.199 -7.632 1.00 0.00 C ATOM 438 CG LYS A 30 54.215 -1.267 -7.763 1.00 0.00 C ATOM 439 CD LYS A 30 52.853 -0.587 -7.907 1.00 0.00 C ATOM 440 CE LYS A 30 51.945 -1.448 -8.788 1.00 0.00 C ATOM 441 NZ LYS A 30 51.880 -0.860 -10.156 1.00 0.00 N ATOM 0 H LYS A 30 56.904 -0.844 -5.847 1.00 0.00 H new ATOM 0 HA LYS A 30 56.526 -1.738 -8.525 1.00 0.00 H new ATOM 0 HB2 LYS A 30 55.311 0.203 -6.619 1.00 0.00 H new ATOM 0 HB3 LYS A 30 55.092 0.633 -8.304 1.00 0.00 H new ATOM 0 HG2 LYS A 30 54.412 -1.899 -8.629 1.00 0.00 H new ATOM 0 HG3 LYS A 30 54.219 -1.916 -6.887 1.00 0.00 H new ATOM 0 HD2 LYS A 30 52.399 -0.446 -6.926 1.00 0.00 H new ATOM 0 HD3 LYS A 30 52.973 0.403 -8.348 1.00 0.00 H new ATOM 0 HE2 LYS A 30 52.327 -2.468 -8.836 1.00 0.00 H new ATOM 0 HE3 LYS A 30 50.946 -1.502 -8.356 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 51.263 -1.444 -10.756 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 51.496 0.105 -10.101 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 52.835 -0.830 -10.567 1.00 0.00 H new ATOM 455 N LYS A 31 58.292 0.972 -8.194 1.00 0.00 N ATOM 456 CA LYS A 31 59.092 1.960 -8.965 1.00 0.00 C ATOM 457 C LYS A 31 60.248 1.257 -9.681 1.00 0.00 C ATOM 458 O LYS A 31 60.770 1.749 -10.662 1.00 0.00 O ATOM 459 CB LYS A 31 59.650 3.018 -8.012 1.00 0.00 C ATOM 460 CG LYS A 31 58.775 4.271 -8.077 1.00 0.00 C ATOM 461 CD LYS A 31 59.621 5.500 -7.743 1.00 0.00 C ATOM 462 CE LYS A 31 60.323 5.993 -9.008 1.00 0.00 C ATOM 463 NZ LYS A 31 59.387 6.843 -9.799 1.00 0.00 N ATOM 0 H LYS A 31 58.444 0.982 -7.185 1.00 0.00 H new ATOM 0 HA LYS A 31 58.451 2.436 -9.707 1.00 0.00 H new ATOM 0 HB2 LYS A 31 59.674 2.630 -6.994 1.00 0.00 H new ATOM 0 HB3 LYS A 31 60.677 3.263 -8.284 1.00 0.00 H new ATOM 0 HG2 LYS A 31 58.342 4.374 -9.072 1.00 0.00 H new ATOM 0 HG3 LYS A 31 57.945 4.185 -7.375 1.00 0.00 H new ATOM 0 HD2 LYS A 31 58.990 6.289 -7.333 1.00 0.00 H new ATOM 0 HD3 LYS A 31 60.357 5.251 -6.979 1.00 0.00 H new ATOM 0 HE2 LYS A 31 61.213 6.563 -8.743 1.00 0.00 H new ATOM 0 HE3 LYS A 31 60.654 5.145 -9.607 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 59.865 7.178 -10.660 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 58.550 6.285 -10.063 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 59.092 7.660 -9.227 1.00 0.00 H new ATOM 477 N TYR A 32 60.659 0.116 -9.201 1.00 0.00 N ATOM 478 CA TYR A 32 61.785 -0.601 -9.862 1.00 0.00 C ATOM 479 C TYR A 32 61.370 -2.037 -10.179 1.00 0.00 C ATOM 480 O TYR A 32 60.802 -2.728 -9.355 1.00 0.00 O ATOM 481 CB TYR A 32 63.000 -0.611 -8.931 1.00 0.00 C ATOM 482 CG TYR A 32 63.419 0.811 -8.645 1.00 0.00 C ATOM 483 CD1 TYR A 32 62.585 1.649 -7.897 1.00 0.00 C ATOM 484 CD2 TYR A 32 64.642 1.291 -9.131 1.00 0.00 C ATOM 485 CE1 TYR A 32 62.971 2.969 -7.635 1.00 0.00 C ATOM 486 CE2 TYR A 32 65.029 2.611 -8.869 1.00 0.00 C ATOM 487 CZ TYR A 32 64.194 3.450 -8.120 1.00 0.00 C ATOM 488 OH TYR A 32 64.575 4.752 -7.860 1.00 0.00 O ATOM 0 H TYR A 32 60.266 -0.349 -8.383 1.00 0.00 H new ATOM 0 HA TYR A 32 62.042 -0.090 -10.790 1.00 0.00 H new ATOM 0 HB2 TYR A 32 62.756 -1.125 -8.001 1.00 0.00 H new ATOM 0 HB3 TYR A 32 63.822 -1.159 -9.392 1.00 0.00 H new ATOM 0 HD1 TYR A 32 61.643 1.277 -7.522 1.00 0.00 H new ATOM 0 HD2 TYR A 32 65.286 0.643 -9.707 1.00 0.00 H new ATOM 0 HE1 TYR A 32 62.326 3.616 -7.059 1.00 0.00 H new ATOM 0 HE2 TYR A 32 65.971 2.982 -9.244 1.00 0.00 H new ATOM 0 HH TYR A 32 64.194 5.040 -7.004 1.00 0.00 H new ATOM 498 N ALA A 33 61.649 -2.491 -11.369 1.00 0.00 N ATOM 499 CA ALA A 33 61.272 -3.883 -11.746 1.00 0.00 C ATOM 500 C ALA A 33 61.495 -4.076 -13.248 1.00 0.00 C ATOM 501 O ALA A 33 61.836 -5.151 -13.702 1.00 0.00 O ATOM 502 CB ALA A 33 59.799 -4.122 -11.412 1.00 0.00 C ATOM 0 H ALA A 33 62.123 -1.958 -12.098 1.00 0.00 H new ATOM 0 HA ALA A 33 61.886 -4.592 -11.191 1.00 0.00 H new ATOM 0 HB1 ALA A 33 59.524 -5.140 -11.688 1.00 0.00 H new ATOM 0 HB2 ALA A 33 59.641 -3.980 -10.343 1.00 0.00 H new ATOM 0 HB3 ALA A 33 59.181 -3.416 -11.967 1.00 0.00 H new ATOM 508 N GLY A 34 61.305 -3.043 -14.021 1.00 0.00 N ATOM 509 CA GLY A 34 61.507 -3.165 -15.493 1.00 0.00 C ATOM 510 C GLY A 34 62.994 -3.022 -15.820 1.00 0.00 C ATOM 511 O GLY A 34 63.382 -2.961 -16.969 1.00 0.00 O ATOM 0 H GLY A 34 61.018 -2.119 -13.697 1.00 0.00 H new ATOM 0 HA2 GLY A 34 61.139 -4.130 -15.842 1.00 0.00 H new ATOM 0 HA3 GLY A 34 60.934 -2.398 -16.014 1.00 0.00 H new ATOM 515 N ARG A 35 63.832 -2.971 -14.819 1.00 0.00 N ATOM 516 CA ARG A 35 65.294 -2.833 -15.077 1.00 0.00 C ATOM 517 C ARG A 35 66.027 -4.059 -14.522 1.00 0.00 C ATOM 518 O ARG A 35 65.689 -4.575 -13.476 1.00 0.00 O ATOM 519 CB ARG A 35 65.818 -1.571 -14.391 1.00 0.00 C ATOM 520 CG ARG A 35 65.450 -0.342 -15.227 1.00 0.00 C ATOM 521 CD ARG A 35 65.004 0.792 -14.302 1.00 0.00 C ATOM 522 NE ARG A 35 66.177 1.300 -13.536 1.00 0.00 N ATOM 523 CZ ARG A 35 66.046 2.327 -12.739 1.00 0.00 C ATOM 524 NH1 ARG A 35 64.887 2.915 -12.611 1.00 0.00 N ATOM 525 NH2 ARG A 35 67.078 2.768 -12.071 1.00 0.00 N ATOM 0 H ARG A 35 63.567 -3.019 -13.835 1.00 0.00 H new ATOM 0 HA ARG A 35 65.468 -2.760 -16.151 1.00 0.00 H new ATOM 0 HB2 ARG A 35 65.392 -1.484 -13.392 1.00 0.00 H new ATOM 0 HB3 ARG A 35 66.900 -1.632 -14.272 1.00 0.00 H new ATOM 0 HG2 ARG A 35 66.306 -0.024 -15.822 1.00 0.00 H new ATOM 0 HG3 ARG A 35 64.651 -0.591 -15.926 1.00 0.00 H new ATOM 0 HD2 ARG A 35 64.561 1.599 -14.886 1.00 0.00 H new ATOM 0 HD3 ARG A 35 64.235 0.435 -13.616 1.00 0.00 H new ATOM 0 HE ARG A 35 67.084 0.845 -13.634 1.00 0.00 H new ATOM 0 HH11 ARG A 35 64.081 2.573 -13.134 1.00 0.00 H new ATOM 0 HH12 ARG A 35 64.788 3.717 -11.988 1.00 0.00 H new ATOM 0 HH21 ARG A 35 67.984 2.311 -12.172 1.00 0.00 H new ATOM 0 HH22 ARG A 35 66.978 3.570 -11.448 1.00 0.00 H new ATOM 539 N LYS A 36 67.025 -4.530 -15.219 1.00 0.00 N ATOM 540 CA LYS A 36 67.776 -5.724 -14.735 1.00 0.00 C ATOM 541 C LYS A 36 68.861 -5.289 -13.750 1.00 0.00 C ATOM 542 O LYS A 36 69.728 -6.061 -13.387 1.00 0.00 O ATOM 543 CB LYS A 36 68.425 -6.433 -15.925 1.00 0.00 C ATOM 544 CG LYS A 36 68.411 -7.943 -15.686 1.00 0.00 C ATOM 545 CD LYS A 36 67.642 -8.630 -16.816 1.00 0.00 C ATOM 546 CE LYS A 36 66.817 -9.784 -16.244 1.00 0.00 C ATOM 547 NZ LYS A 36 66.994 -10.992 -17.098 1.00 0.00 N ATOM 0 H LYS A 36 67.353 -4.140 -16.103 1.00 0.00 H new ATOM 0 HA LYS A 36 67.087 -6.404 -14.234 1.00 0.00 H new ATOM 0 HB2 LYS A 36 67.887 -6.194 -16.842 1.00 0.00 H new ATOM 0 HB3 LYS A 36 69.449 -6.084 -16.056 1.00 0.00 H new ATOM 0 HG2 LYS A 36 69.431 -8.325 -15.641 1.00 0.00 H new ATOM 0 HG3 LYS A 36 67.945 -8.166 -14.726 1.00 0.00 H new ATOM 0 HD2 LYS A 36 66.988 -7.913 -17.313 1.00 0.00 H new ATOM 0 HD3 LYS A 36 68.337 -9.004 -17.568 1.00 0.00 H new ATOM 0 HE2 LYS A 36 67.131 -9.998 -15.223 1.00 0.00 H new ATOM 0 HE3 LYS A 36 65.764 -9.506 -16.202 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 66.433 -11.777 -16.710 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 66.674 -10.783 -18.065 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 67.999 -11.260 -17.116 1.00 0.00 H new ATOM 561 N ASP A 37 68.824 -4.061 -13.310 1.00 0.00 N ATOM 562 CA ASP A 37 69.856 -3.587 -12.346 1.00 0.00 C ATOM 563 C ASP A 37 69.173 -2.893 -11.167 1.00 0.00 C ATOM 564 O ASP A 37 69.665 -1.915 -10.641 1.00 0.00 O ATOM 565 CB ASP A 37 70.798 -2.602 -13.040 1.00 0.00 C ATOM 566 CG ASP A 37 72.230 -3.138 -12.983 1.00 0.00 C ATOM 567 OD1 ASP A 37 72.386 -4.343 -12.873 1.00 0.00 O ATOM 568 OD2 ASP A 37 73.146 -2.336 -13.047 1.00 0.00 O ATOM 0 H ASP A 37 68.125 -3.367 -13.576 1.00 0.00 H new ATOM 0 HA ASP A 37 70.429 -4.441 -11.985 1.00 0.00 H new ATOM 0 HB2 ASP A 37 70.493 -2.460 -14.077 1.00 0.00 H new ATOM 0 HB3 ASP A 37 70.744 -1.627 -12.555 1.00 0.00 H new ATOM 573 N ALA A 38 68.044 -3.391 -10.746 1.00 0.00 N ATOM 574 CA ALA A 38 67.334 -2.759 -9.600 1.00 0.00 C ATOM 575 C ALA A 38 68.031 -3.149 -8.295 1.00 0.00 C ATOM 576 O ALA A 38 67.926 -2.467 -7.295 1.00 0.00 O ATOM 577 CB ALA A 38 65.881 -3.238 -9.571 1.00 0.00 C ATOM 0 H ALA A 38 67.583 -4.208 -11.146 1.00 0.00 H new ATOM 0 HA ALA A 38 67.353 -1.675 -9.712 1.00 0.00 H new ATOM 0 HB1 ALA A 38 65.362 -2.775 -8.732 1.00 0.00 H new ATOM 0 HB2 ALA A 38 65.387 -2.959 -10.502 1.00 0.00 H new ATOM 0 HB3 ALA A 38 65.857 -4.322 -9.459 1.00 0.00 H new ATOM 583 N VAL A 39 68.745 -4.242 -8.297 1.00 0.00 N ATOM 584 CA VAL A 39 69.453 -4.675 -7.059 1.00 0.00 C ATOM 585 C VAL A 39 70.716 -3.833 -6.874 1.00 0.00 C ATOM 586 O VAL A 39 70.947 -3.262 -5.826 1.00 0.00 O ATOM 587 CB VAL A 39 69.841 -6.151 -7.184 1.00 0.00 C ATOM 588 CG1 VAL A 39 70.284 -6.684 -5.820 1.00 0.00 C ATOM 589 CG2 VAL A 39 68.636 -6.954 -7.677 1.00 0.00 C ATOM 0 H VAL A 39 68.869 -4.854 -9.103 1.00 0.00 H new ATOM 0 HA VAL A 39 68.796 -4.542 -6.199 1.00 0.00 H new ATOM 0 HB VAL A 39 70.662 -6.250 -7.895 1.00 0.00 H new ATOM 0 HG11 VAL A 39 70.560 -7.735 -5.912 1.00 0.00 H new ATOM 0 HG12 VAL A 39 71.143 -6.113 -5.468 1.00 0.00 H new ATOM 0 HG13 VAL A 39 69.465 -6.585 -5.107 1.00 0.00 H new ATOM 0 HG21 VAL A 39 68.911 -8.005 -7.766 1.00 0.00 H new ATOM 0 HG22 VAL A 39 67.816 -6.853 -6.966 1.00 0.00 H new ATOM 0 HG23 VAL A 39 68.321 -6.577 -8.650 1.00 0.00 H new ATOM 599 N ASP A 40 71.539 -3.752 -7.885 1.00 0.00 N ATOM 600 CA ASP A 40 72.788 -2.948 -7.768 1.00 0.00 C ATOM 601 C ASP A 40 72.430 -1.473 -7.579 1.00 0.00 C ATOM 602 O ASP A 40 72.944 -0.807 -6.704 1.00 0.00 O ATOM 603 CB ASP A 40 73.621 -3.112 -9.043 1.00 0.00 C ATOM 604 CG ASP A 40 74.956 -2.385 -8.879 1.00 0.00 C ATOM 605 OD1 ASP A 40 75.058 -1.571 -7.975 1.00 0.00 O ATOM 606 OD2 ASP A 40 75.856 -2.654 -9.659 1.00 0.00 O ATOM 0 H ASP A 40 71.400 -4.208 -8.787 1.00 0.00 H new ATOM 0 HA ASP A 40 73.364 -3.294 -6.910 1.00 0.00 H new ATOM 0 HB2 ASP A 40 73.793 -4.169 -9.244 1.00 0.00 H new ATOM 0 HB3 ASP A 40 73.079 -2.709 -9.898 1.00 0.00 H new ATOM 611 N TYR A 41 71.551 -0.958 -8.396 1.00 0.00 N ATOM 612 CA TYR A 41 71.160 0.473 -8.268 1.00 0.00 C ATOM 613 C TYR A 41 70.593 0.728 -6.870 1.00 0.00 C ATOM 614 O TYR A 41 71.057 1.587 -6.148 1.00 0.00 O ATOM 615 CB TYR A 41 70.101 0.810 -9.318 1.00 0.00 C ATOM 616 CG TYR A 41 69.774 2.283 -9.250 1.00 0.00 C ATOM 617 CD1 TYR A 41 70.733 3.231 -9.621 1.00 0.00 C ATOM 618 CD2 TYR A 41 68.510 2.698 -8.814 1.00 0.00 C ATOM 619 CE1 TYR A 41 70.429 4.596 -9.557 1.00 0.00 C ATOM 620 CE2 TYR A 41 68.206 4.062 -8.751 1.00 0.00 C ATOM 621 CZ TYR A 41 69.165 5.011 -9.122 1.00 0.00 C ATOM 622 OH TYR A 41 68.865 6.357 -9.060 1.00 0.00 O ATOM 0 H TYR A 41 71.087 -1.468 -9.147 1.00 0.00 H new ATOM 0 HA TYR A 41 72.037 1.102 -8.422 1.00 0.00 H new ATOM 0 HB2 TYR A 41 70.465 0.553 -10.313 1.00 0.00 H new ATOM 0 HB3 TYR A 41 69.202 0.219 -9.146 1.00 0.00 H new ATOM 0 HD1 TYR A 41 71.708 2.910 -9.957 1.00 0.00 H new ATOM 0 HD2 TYR A 41 67.770 1.966 -8.527 1.00 0.00 H new ATOM 0 HE1 TYR A 41 71.169 5.328 -9.843 1.00 0.00 H new ATOM 0 HE2 TYR A 41 67.231 4.383 -8.416 1.00 0.00 H new ATOM 0 HH TYR A 41 67.946 6.473 -8.739 1.00 0.00 H new ATOM 632 N LEU A 42 69.590 -0.012 -6.480 1.00 0.00 N ATOM 633 CA LEU A 42 68.999 0.192 -5.128 1.00 0.00 C ATOM 634 C LEU A 42 70.116 0.215 -4.086 1.00 0.00 C ATOM 635 O LEU A 42 70.412 1.236 -3.500 1.00 0.00 O ATOM 636 CB LEU A 42 68.033 -0.953 -4.813 1.00 0.00 C ATOM 637 CG LEU A 42 66.651 -0.630 -5.384 1.00 0.00 C ATOM 638 CD1 LEU A 42 65.742 -1.854 -5.248 1.00 0.00 C ATOM 639 CD2 LEU A 42 66.042 0.546 -4.617 1.00 0.00 C ATOM 0 H LEU A 42 69.156 -0.747 -7.038 1.00 0.00 H new ATOM 0 HA LEU A 42 68.458 1.138 -5.106 1.00 0.00 H new ATOM 0 HB2 LEU A 42 68.405 -1.884 -5.240 1.00 0.00 H new ATOM 0 HB3 LEU A 42 67.967 -1.100 -3.735 1.00 0.00 H new ATOM 0 HG LEU A 42 66.748 -0.365 -6.437 1.00 0.00 H new ATOM 0 HD11 LEU A 42 64.758 -1.623 -5.655 1.00 0.00 H new ATOM 0 HD12 LEU A 42 66.174 -2.691 -5.796 1.00 0.00 H new ATOM 0 HD13 LEU A 42 65.646 -2.121 -4.196 1.00 0.00 H new ATOM 0 HD21 LEU A 42 65.057 0.775 -5.025 1.00 0.00 H new ATOM 0 HD22 LEU A 42 65.946 0.283 -3.564 1.00 0.00 H new ATOM 0 HD23 LEU A 42 66.688 1.418 -4.716 1.00 0.00 H new ATOM 651 N ALA A 43 70.737 -0.907 -3.853 1.00 0.00 N ATOM 652 CA ALA A 43 71.838 -0.960 -2.851 1.00 0.00 C ATOM 653 C ALA A 43 72.740 0.263 -3.022 1.00 0.00 C ATOM 654 O ALA A 43 73.358 0.725 -2.085 1.00 0.00 O ATOM 655 CB ALA A 43 72.660 -2.233 -3.063 1.00 0.00 C ATOM 0 H ALA A 43 70.529 -1.792 -4.315 1.00 0.00 H new ATOM 0 HA ALA A 43 71.416 -0.964 -1.846 1.00 0.00 H new ATOM 0 HB1 ALA A 43 73.466 -2.272 -2.330 1.00 0.00 H new ATOM 0 HB2 ALA A 43 72.017 -3.105 -2.943 1.00 0.00 H new ATOM 0 HB3 ALA A 43 73.083 -2.230 -4.067 1.00 0.00 H new ATOM 661 N GLY A 44 72.818 0.791 -4.212 1.00 0.00 N ATOM 662 CA GLY A 44 73.678 1.985 -4.438 1.00 0.00 C ATOM 663 C GLY A 44 73.143 3.155 -3.611 1.00 0.00 C ATOM 664 O GLY A 44 73.859 3.760 -2.839 1.00 0.00 O ATOM 0 H GLY A 44 72.324 0.448 -5.036 1.00 0.00 H new ATOM 0 HA2 GLY A 44 74.707 1.765 -4.155 1.00 0.00 H new ATOM 0 HA3 GLY A 44 73.687 2.246 -5.496 1.00 0.00 H new ATOM 668 N LYS A 45 71.887 3.476 -3.763 1.00 0.00 N ATOM 669 CA LYS A 45 71.307 4.603 -2.980 1.00 0.00 C ATOM 670 C LYS A 45 71.054 4.147 -1.540 1.00 0.00 C ATOM 671 O LYS A 45 70.625 4.916 -0.703 1.00 0.00 O ATOM 672 CB LYS A 45 69.987 5.040 -3.618 1.00 0.00 C ATOM 673 CG LYS A 45 70.200 5.291 -5.112 1.00 0.00 C ATOM 674 CD LYS A 45 70.308 6.796 -5.368 1.00 0.00 C ATOM 675 CE LYS A 45 71.474 7.072 -6.320 1.00 0.00 C ATOM 676 NZ LYS A 45 72.590 7.711 -5.568 1.00 0.00 N ATOM 0 H LYS A 45 71.238 3.007 -4.395 1.00 0.00 H new ATOM 0 HA LYS A 45 72.004 5.441 -2.977 1.00 0.00 H new ATOM 0 HB2 LYS A 45 69.228 4.271 -3.472 1.00 0.00 H new ATOM 0 HB3 LYS A 45 69.620 5.946 -3.135 1.00 0.00 H new ATOM 0 HG2 LYS A 45 71.106 4.788 -5.450 1.00 0.00 H new ATOM 0 HG3 LYS A 45 69.371 4.873 -5.683 1.00 0.00 H new ATOM 0 HD2 LYS A 45 69.378 7.170 -5.797 1.00 0.00 H new ATOM 0 HD3 LYS A 45 70.460 7.325 -4.427 1.00 0.00 H new ATOM 0 HE2 LYS A 45 71.814 6.142 -6.775 1.00 0.00 H new ATOM 0 HE3 LYS A 45 71.148 7.723 -7.131 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 73.382 7.898 -6.215 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 72.262 8.607 -5.154 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 72.906 7.074 -4.809 1.00 0.00 H new ATOM 690 N ILE A 46 71.317 2.903 -1.244 1.00 0.00 N ATOM 691 CA ILE A 46 71.091 2.401 0.140 1.00 0.00 C ATOM 692 C ILE A 46 72.277 2.791 1.025 1.00 0.00 C ATOM 693 O ILE A 46 72.113 3.358 2.087 1.00 0.00 O ATOM 694 CB ILE A 46 70.952 0.877 0.110 1.00 0.00 C ATOM 695 CG1 ILE A 46 69.586 0.501 -0.470 1.00 0.00 C ATOM 696 CG2 ILE A 46 71.069 0.318 1.528 1.00 0.00 C ATOM 697 CD1 ILE A 46 69.406 -1.017 -0.414 1.00 0.00 C ATOM 0 H ILE A 46 71.679 2.213 -1.902 1.00 0.00 H new ATOM 0 HA ILE A 46 70.179 2.841 0.544 1.00 0.00 H new ATOM 0 HB ILE A 46 71.744 0.457 -0.511 1.00 0.00 H new ATOM 0 HG12 ILE A 46 68.793 0.993 0.093 1.00 0.00 H new ATOM 0 HG13 ILE A 46 69.509 0.849 -1.500 1.00 0.00 H new ATOM 0 HG21 ILE A 46 70.969 -0.767 1.501 1.00 0.00 H new ATOM 0 HG22 ILE A 46 72.041 0.583 1.944 1.00 0.00 H new ATOM 0 HG23 ILE A 46 70.280 0.739 2.151 1.00 0.00 H new ATOM 0 HD11 ILE A 46 68.433 -1.284 -0.827 1.00 0.00 H new ATOM 0 HD12 ILE A 46 70.192 -1.498 -0.996 1.00 0.00 H new ATOM 0 HD13 ILE A 46 69.465 -1.352 0.621 1.00 0.00 H new ATOM 709 N LYS A 47 73.473 2.488 0.598 1.00 0.00 N ATOM 710 CA LYS A 47 74.668 2.836 1.416 1.00 0.00 C ATOM 711 C LYS A 47 74.931 4.342 1.330 1.00 0.00 C ATOM 712 O LYS A 47 75.574 4.918 2.184 1.00 0.00 O ATOM 713 CB LYS A 47 75.886 2.075 0.887 1.00 0.00 C ATOM 714 CG LYS A 47 77.005 2.111 1.931 1.00 0.00 C ATOM 715 CD LYS A 47 78.355 1.914 1.241 1.00 0.00 C ATOM 716 CE LYS A 47 78.735 3.189 0.487 1.00 0.00 C ATOM 717 NZ LYS A 47 79.974 3.766 1.082 1.00 0.00 N ATOM 0 H LYS A 47 73.673 2.014 -0.283 1.00 0.00 H new ATOM 0 HA LYS A 47 74.488 2.560 2.455 1.00 0.00 H new ATOM 0 HB2 LYS A 47 75.615 1.043 0.665 1.00 0.00 H new ATOM 0 HB3 LYS A 47 76.230 2.522 -0.046 1.00 0.00 H new ATOM 0 HG2 LYS A 47 76.991 3.063 2.461 1.00 0.00 H new ATOM 0 HG3 LYS A 47 76.848 1.330 2.675 1.00 0.00 H new ATOM 0 HD2 LYS A 47 79.121 1.674 1.979 1.00 0.00 H new ATOM 0 HD3 LYS A 47 78.303 1.073 0.550 1.00 0.00 H new ATOM 0 HE2 LYS A 47 78.895 2.967 -0.568 1.00 0.00 H new ATOM 0 HE3 LYS A 47 77.922 3.913 0.541 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 80.234 4.633 0.570 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 79.806 3.992 2.083 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 80.748 3.076 1.009 1.00 0.00 H new ATOM 731 N LYS A 48 74.443 4.985 0.304 1.00 0.00 N ATOM 732 CA LYS A 48 74.672 6.452 0.170 1.00 0.00 C ATOM 733 C LYS A 48 73.370 7.204 0.452 1.00 0.00 C ATOM 734 O LYS A 48 73.293 8.017 1.352 1.00 0.00 O ATOM 735 CB LYS A 48 75.147 6.769 -1.249 1.00 0.00 C ATOM 736 CG LYS A 48 76.396 7.651 -1.185 1.00 0.00 C ATOM 737 CD LYS A 48 76.421 8.593 -2.390 1.00 0.00 C ATOM 738 CE LYS A 48 77.810 9.223 -2.515 1.00 0.00 C ATOM 739 NZ LYS A 48 77.720 10.684 -2.233 1.00 0.00 N ATOM 0 H LYS A 48 73.897 4.559 -0.445 1.00 0.00 H new ATOM 0 HA LYS A 48 75.432 6.764 0.886 1.00 0.00 H new ATOM 0 HB2 LYS A 48 75.368 5.846 -1.784 1.00 0.00 H new ATOM 0 HB3 LYS A 48 74.358 7.278 -1.803 1.00 0.00 H new ATOM 0 HG2 LYS A 48 76.400 8.227 -0.260 1.00 0.00 H new ATOM 0 HG3 LYS A 48 77.292 7.030 -1.177 1.00 0.00 H new ATOM 0 HD2 LYS A 48 76.175 8.044 -3.299 1.00 0.00 H new ATOM 0 HD3 LYS A 48 75.666 9.371 -2.273 1.00 0.00 H new ATOM 0 HE2 LYS A 48 78.500 8.749 -1.817 1.00 0.00 H new ATOM 0 HE3 LYS A 48 78.207 9.059 -3.517 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 78.664 11.113 -2.318 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 77.074 11.130 -2.915 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 77.359 10.830 -1.269 1.00 0.00 H new ATOM 753 N GLY A 49 72.346 6.945 -0.314 1.00 0.00 N ATOM 754 CA GLY A 49 71.052 7.650 -0.091 1.00 0.00 C ATOM 755 C GLY A 49 70.975 8.867 -1.014 1.00 0.00 C ATOM 756 O GLY A 49 71.464 8.845 -2.126 1.00 0.00 O ATOM 0 H GLY A 49 72.349 6.276 -1.084 1.00 0.00 H new ATOM 0 HA2 GLY A 49 70.218 6.976 -0.288 1.00 0.00 H new ATOM 0 HA3 GLY A 49 70.969 7.963 0.950 1.00 0.00 H new ATOM 760 N GLY A 50 70.368 9.931 -0.564 1.00 0.00 N ATOM 761 CA GLY A 50 70.268 11.147 -1.418 1.00 0.00 C ATOM 762 C GLY A 50 68.817 11.629 -1.462 1.00 0.00 C ATOM 763 O GLY A 50 67.981 11.183 -0.701 1.00 0.00 O ATOM 0 H GLY A 50 69.938 10.010 0.357 1.00 0.00 H new ATOM 0 HA2 GLY A 50 70.911 11.934 -1.023 1.00 0.00 H new ATOM 0 HA3 GLY A 50 70.618 10.925 -2.426 1.00 0.00 H new ATOM 767 N SER A 51 68.511 12.533 -2.351 1.00 0.00 N ATOM 768 CA SER A 51 67.119 13.043 -2.452 1.00 0.00 C ATOM 769 C SER A 51 66.893 13.627 -3.847 1.00 0.00 C ATOM 770 O SER A 51 67.692 14.393 -4.348 1.00 0.00 O ATOM 771 CB SER A 51 66.890 14.130 -1.402 1.00 0.00 C ATOM 772 OG SER A 51 68.142 14.525 -0.853 1.00 0.00 O ATOM 0 H SER A 51 69.170 12.941 -3.014 1.00 0.00 H new ATOM 0 HA SER A 51 66.421 12.224 -2.280 1.00 0.00 H new ATOM 0 HB2 SER A 51 66.391 14.988 -1.853 1.00 0.00 H new ATOM 0 HB3 SER A 51 66.235 13.758 -0.614 1.00 0.00 H new ATOM 0 HG SER A 51 68.153 15.497 -0.729 1.00 0.00 H new ATOM 778 N GLY A 52 65.810 13.268 -4.480 1.00 0.00 N ATOM 779 CA GLY A 52 65.533 13.800 -5.845 1.00 0.00 C ATOM 780 C GLY A 52 64.612 12.832 -6.589 1.00 0.00 C ATOM 781 O GLY A 52 63.883 13.217 -7.482 1.00 0.00 O ATOM 0 H GLY A 52 65.105 12.630 -4.112 1.00 0.00 H new ATOM 0 HA2 GLY A 52 65.067 14.783 -5.777 1.00 0.00 H new ATOM 0 HA3 GLY A 52 66.466 13.927 -6.394 1.00 0.00 H new ATOM 785 N VAL A 53 64.638 11.578 -6.227 1.00 0.00 N ATOM 786 CA VAL A 53 63.762 10.586 -6.912 1.00 0.00 C ATOM 787 C VAL A 53 62.387 10.568 -6.239 1.00 0.00 C ATOM 788 O VAL A 53 61.393 10.216 -6.843 1.00 0.00 O ATOM 789 CB VAL A 53 64.390 9.194 -6.814 1.00 0.00 C ATOM 790 CG1 VAL A 53 63.710 8.255 -7.813 1.00 0.00 C ATOM 791 CG2 VAL A 53 65.883 9.283 -7.135 1.00 0.00 C ATOM 0 H VAL A 53 65.228 11.198 -5.487 1.00 0.00 H new ATOM 0 HA VAL A 53 63.653 10.864 -7.960 1.00 0.00 H new ATOM 0 HB VAL A 53 64.258 8.808 -5.803 1.00 0.00 H new ATOM 0 HG11 VAL A 53 64.157 7.264 -7.743 1.00 0.00 H new ATOM 0 HG12 VAL A 53 62.646 8.190 -7.585 1.00 0.00 H new ATOM 0 HG13 VAL A 53 63.841 8.642 -8.824 1.00 0.00 H new ATOM 0 HG21 VAL A 53 66.330 8.291 -7.065 1.00 0.00 H new ATOM 0 HG22 VAL A 53 66.016 9.670 -8.145 1.00 0.00 H new ATOM 0 HG23 VAL A 53 66.369 9.951 -6.424 1.00 0.00 H new ATOM 801 N TRP A 54 62.323 10.941 -4.990 1.00 0.00 N ATOM 802 CA TRP A 54 61.014 10.942 -4.280 1.00 0.00 C ATOM 803 C TRP A 54 60.645 12.375 -3.889 1.00 0.00 C ATOM 804 O TRP A 54 59.692 12.606 -3.171 1.00 0.00 O ATOM 805 CB TRP A 54 61.118 10.082 -3.020 1.00 0.00 C ATOM 806 CG TRP A 54 61.343 8.656 -3.408 1.00 0.00 C ATOM 807 CD1 TRP A 54 62.542 8.032 -3.406 1.00 0.00 C ATOM 808 CD2 TRP A 54 60.369 7.667 -3.854 1.00 0.00 C ATOM 809 NE1 TRP A 54 62.368 6.724 -3.820 1.00 0.00 N ATOM 810 CE2 TRP A 54 61.046 6.451 -4.107 1.00 0.00 C ATOM 811 CE3 TRP A 54 58.978 7.708 -4.061 1.00 0.00 C ATOM 812 CZ2 TRP A 54 60.368 5.315 -4.551 1.00 0.00 C ATOM 813 CZ3 TRP A 54 58.293 6.565 -4.507 1.00 0.00 C ATOM 814 CH2 TRP A 54 58.986 5.371 -4.750 1.00 0.00 C ATOM 0 H TRP A 54 63.121 11.245 -4.431 1.00 0.00 H new ATOM 0 HA TRP A 54 60.245 10.535 -4.937 1.00 0.00 H new ATOM 0 HB2 TRP A 54 61.938 10.433 -2.393 1.00 0.00 H new ATOM 0 HB3 TRP A 54 60.206 10.170 -2.430 1.00 0.00 H new ATOM 0 HD1 TRP A 54 63.483 8.482 -3.126 1.00 0.00 H new ATOM 0 HE1 TRP A 54 63.124 6.044 -3.903 1.00 0.00 H new ATOM 0 HE3 TRP A 54 58.434 8.622 -3.876 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 60.908 4.399 -4.740 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 57.225 6.607 -4.664 1.00 0.00 H new ATOM 0 HH2 TRP A 54 58.453 4.496 -5.090 1.00 0.00 H new ATOM 825 N GLY A 55 61.393 13.337 -4.355 1.00 0.00 N ATOM 826 CA GLY A 55 61.088 14.753 -4.010 1.00 0.00 C ATOM 827 C GLY A 55 62.347 15.424 -3.459 1.00 0.00 C ATOM 828 O GLY A 55 63.351 15.531 -4.133 1.00 0.00 O ATOM 0 H GLY A 55 62.203 13.203 -4.960 1.00 0.00 H new ATOM 0 HA2 GLY A 55 60.735 15.286 -4.893 1.00 0.00 H new ATOM 0 HA3 GLY A 55 60.287 14.795 -3.271 1.00 0.00 H new ATOM 832 N SER A 56 62.302 15.875 -2.236 1.00 0.00 N ATOM 833 CA SER A 56 63.498 16.537 -1.642 1.00 0.00 C ATOM 834 C SER A 56 63.914 15.798 -0.367 1.00 0.00 C ATOM 835 O SER A 56 65.027 15.932 0.102 1.00 0.00 O ATOM 836 CB SER A 56 63.161 17.990 -1.304 1.00 0.00 C ATOM 837 OG SER A 56 64.009 18.853 -2.051 1.00 0.00 O ATOM 0 H SER A 56 61.490 15.814 -1.622 1.00 0.00 H new ATOM 0 HA SER A 56 64.319 16.512 -2.358 1.00 0.00 H new ATOM 0 HB2 SER A 56 62.116 18.197 -1.536 1.00 0.00 H new ATOM 0 HB3 SER A 56 63.291 18.167 -0.236 1.00 0.00 H new ATOM 0 HG SER A 56 63.795 19.786 -1.839 1.00 0.00 H new ATOM 843 N VAL A 57 63.031 15.017 0.196 1.00 0.00 N ATOM 844 CA VAL A 57 63.373 14.270 1.435 1.00 0.00 C ATOM 845 C VAL A 57 64.751 13.612 1.271 1.00 0.00 C ATOM 846 O VAL A 57 64.879 12.623 0.576 1.00 0.00 O ATOM 847 CB VAL A 57 62.316 13.192 1.667 1.00 0.00 C ATOM 848 CG1 VAL A 57 60.973 13.852 1.982 1.00 0.00 C ATOM 849 CG2 VAL A 57 62.178 12.335 0.406 1.00 0.00 C ATOM 0 H VAL A 57 62.084 14.866 -0.153 1.00 0.00 H new ATOM 0 HA VAL A 57 63.400 14.951 2.285 1.00 0.00 H new ATOM 0 HB VAL A 57 62.617 12.563 2.505 1.00 0.00 H new ATOM 0 HG11 VAL A 57 60.219 13.082 2.147 1.00 0.00 H new ATOM 0 HG12 VAL A 57 61.070 14.464 2.879 1.00 0.00 H new ATOM 0 HG13 VAL A 57 60.671 14.481 1.144 1.00 0.00 H new ATOM 0 HG21 VAL A 57 61.424 11.565 0.570 1.00 0.00 H new ATOM 0 HG22 VAL A 57 61.877 12.965 -0.431 1.00 0.00 H new ATOM 0 HG23 VAL A 57 63.134 11.864 0.180 1.00 0.00 H new ATOM 859 N PRO A 58 65.742 14.186 1.909 1.00 0.00 N ATOM 860 CA PRO A 58 67.126 13.680 1.845 1.00 0.00 C ATOM 861 C PRO A 58 67.313 12.481 2.780 1.00 0.00 C ATOM 862 O PRO A 58 66.918 12.508 3.928 1.00 0.00 O ATOM 863 CB PRO A 58 67.964 14.869 2.322 1.00 0.00 C ATOM 864 CG PRO A 58 67.017 15.765 3.158 1.00 0.00 C ATOM 865 CD PRO A 58 65.579 15.390 2.749 1.00 0.00 C ATOM 0 HA PRO A 58 67.403 13.332 0.850 1.00 0.00 H new ATOM 0 HB2 PRO A 58 68.810 14.532 2.922 1.00 0.00 H new ATOM 0 HB3 PRO A 58 68.373 15.420 1.475 1.00 0.00 H new ATOM 0 HG2 PRO A 58 67.171 15.602 4.225 1.00 0.00 H new ATOM 0 HG3 PRO A 58 67.212 16.820 2.965 1.00 0.00 H new ATOM 0 HD2 PRO A 58 64.958 15.186 3.621 1.00 0.00 H new ATOM 0 HD3 PRO A 58 65.099 16.198 2.197 1.00 0.00 H new ATOM 873 N MET A 59 67.925 11.432 2.297 1.00 0.00 N ATOM 874 CA MET A 59 68.153 10.236 3.156 1.00 0.00 C ATOM 875 C MET A 59 69.656 10.107 3.438 1.00 0.00 C ATOM 876 O MET A 59 70.465 10.286 2.550 1.00 0.00 O ATOM 877 CB MET A 59 67.652 8.983 2.433 1.00 0.00 C ATOM 878 CG MET A 59 68.058 7.730 3.215 1.00 0.00 C ATOM 879 SD MET A 59 68.179 6.323 2.082 1.00 0.00 S ATOM 880 CE MET A 59 68.827 5.127 3.277 1.00 0.00 C ATOM 0 H MET A 59 68.277 11.353 1.343 1.00 0.00 H new ATOM 0 HA MET A 59 67.611 10.344 4.095 1.00 0.00 H new ATOM 0 HB2 MET A 59 66.568 9.022 2.330 1.00 0.00 H new ATOM 0 HB3 MET A 59 68.067 8.944 1.426 1.00 0.00 H new ATOM 0 HG2 MET A 59 69.014 7.893 3.713 1.00 0.00 H new ATOM 0 HG3 MET A 59 67.325 7.521 3.994 1.00 0.00 H new ATOM 0 HE1 MET A 59 68.830 4.132 2.831 1.00 0.00 H new ATOM 0 HE2 MET A 59 69.844 5.404 3.554 1.00 0.00 H new ATOM 0 HE3 MET A 59 68.197 5.124 4.167 1.00 0.00 H new ATOM 890 N PRO A 60 69.986 9.808 4.670 1.00 0.00 N ATOM 891 CA PRO A 60 71.386 9.661 5.104 1.00 0.00 C ATOM 892 C PRO A 60 71.935 8.283 4.708 1.00 0.00 C ATOM 893 O PRO A 60 71.188 7.334 4.577 1.00 0.00 O ATOM 894 CB PRO A 60 71.303 9.798 6.626 1.00 0.00 C ATOM 895 CG PRO A 60 69.846 9.448 7.019 1.00 0.00 C ATOM 896 CD PRO A 60 68.996 9.593 5.744 1.00 0.00 C ATOM 0 HA PRO A 60 72.054 10.392 4.648 1.00 0.00 H new ATOM 0 HB2 PRO A 60 72.009 9.127 7.115 1.00 0.00 H new ATOM 0 HB3 PRO A 60 71.557 10.811 6.939 1.00 0.00 H new ATOM 0 HG2 PRO A 60 69.784 8.433 7.412 1.00 0.00 H new ATOM 0 HG3 PRO A 60 69.486 10.115 7.802 1.00 0.00 H new ATOM 0 HD2 PRO A 60 68.398 8.701 5.561 1.00 0.00 H new ATOM 0 HD3 PRO A 60 68.303 10.431 5.821 1.00 0.00 H new ATOM 904 N PRO A 61 73.231 8.222 4.534 1.00 0.00 N ATOM 905 CA PRO A 61 73.924 6.978 4.157 1.00 0.00 C ATOM 906 C PRO A 61 74.072 6.065 5.379 1.00 0.00 C ATOM 907 O PRO A 61 74.641 6.442 6.384 1.00 0.00 O ATOM 908 CB PRO A 61 75.291 7.464 3.668 1.00 0.00 C ATOM 909 CG PRO A 61 75.514 8.856 4.307 1.00 0.00 C ATOM 910 CD PRO A 61 74.123 9.388 4.696 1.00 0.00 C ATOM 0 HA PRO A 61 73.391 6.397 3.404 1.00 0.00 H new ATOM 0 HB2 PRO A 61 76.078 6.770 3.963 1.00 0.00 H new ATOM 0 HB3 PRO A 61 75.314 7.528 2.580 1.00 0.00 H new ATOM 0 HG2 PRO A 61 76.159 8.782 5.182 1.00 0.00 H new ATOM 0 HG3 PRO A 61 76.005 9.531 3.605 1.00 0.00 H new ATOM 0 HD2 PRO A 61 74.111 9.759 5.721 1.00 0.00 H new ATOM 0 HD3 PRO A 61 73.819 10.214 4.054 1.00 0.00 H new ATOM 918 N GLN A 62 73.560 4.868 5.300 1.00 0.00 N ATOM 919 CA GLN A 62 73.665 3.933 6.456 1.00 0.00 C ATOM 920 C GLN A 62 75.012 3.209 6.413 1.00 0.00 C ATOM 921 O GLN A 62 75.694 3.200 5.407 1.00 0.00 O ATOM 922 CB GLN A 62 72.532 2.906 6.383 1.00 0.00 C ATOM 923 CG GLN A 62 71.216 3.619 6.068 1.00 0.00 C ATOM 924 CD GLN A 62 70.703 4.325 7.324 1.00 0.00 C ATOM 925 OE1 GLN A 62 70.682 3.750 8.394 1.00 0.00 O ATOM 926 NE2 GLN A 62 70.281 5.558 7.238 1.00 0.00 N ATOM 0 H GLN A 62 73.073 4.496 4.484 1.00 0.00 H new ATOM 0 HA GLN A 62 73.589 4.497 7.385 1.00 0.00 H new ATOM 0 HB2 GLN A 62 72.749 2.164 5.615 1.00 0.00 H new ATOM 0 HB3 GLN A 62 72.451 2.371 7.329 1.00 0.00 H new ATOM 0 HG2 GLN A 62 71.365 4.343 5.267 1.00 0.00 H new ATOM 0 HG3 GLN A 62 70.477 2.900 5.715 1.00 0.00 H new ATOM 0 HE21 GLN A 62 70.298 6.042 6.340 1.00 0.00 H new ATOM 0 HE22 GLN A 62 69.934 6.037 8.069 1.00 0.00 H new ATOM 935 N ASN A 63 75.397 2.598 7.501 1.00 0.00 N ATOM 936 CA ASN A 63 76.696 1.870 7.530 1.00 0.00 C ATOM 937 C ASN A 63 76.446 0.388 7.253 1.00 0.00 C ATOM 938 O ASN A 63 76.819 -0.471 8.027 1.00 0.00 O ATOM 939 CB ASN A 63 77.339 2.034 8.910 1.00 0.00 C ATOM 940 CG ASN A 63 78.691 1.319 8.935 1.00 0.00 C ATOM 941 OD1 ASN A 63 78.836 0.289 9.563 1.00 0.00 O ATOM 942 ND2 ASN A 63 79.696 1.826 8.274 1.00 0.00 N ATOM 0 H ASN A 63 74.866 2.572 8.372 1.00 0.00 H new ATOM 0 HA ASN A 63 77.364 2.276 6.770 1.00 0.00 H new ATOM 0 HB2 ASN A 63 77.472 3.092 9.137 1.00 0.00 H new ATOM 0 HB3 ASN A 63 76.685 1.623 9.678 1.00 0.00 H new ATOM 0 HD21 ASN A 63 80.602 1.358 8.285 1.00 0.00 H new ATOM 0 HD22 ASN A 63 79.575 2.691 7.746 1.00 0.00 H new ATOM 949 N VAL A 64 75.807 0.082 6.157 1.00 0.00 N ATOM 950 CA VAL A 64 75.524 -1.343 5.830 1.00 0.00 C ATOM 951 C VAL A 64 76.538 -1.850 4.806 1.00 0.00 C ATOM 952 O VAL A 64 77.125 -1.086 4.066 1.00 0.00 O ATOM 953 CB VAL A 64 74.120 -1.460 5.234 1.00 0.00 C ATOM 954 CG1 VAL A 64 73.079 -1.100 6.294 1.00 0.00 C ATOM 955 CG2 VAL A 64 73.994 -0.500 4.047 1.00 0.00 C ATOM 0 H VAL A 64 75.468 0.759 5.473 1.00 0.00 H new ATOM 0 HA VAL A 64 75.593 -1.938 6.741 1.00 0.00 H new ATOM 0 HB VAL A 64 73.952 -2.483 4.898 1.00 0.00 H new ATOM 0 HG11 VAL A 64 72.080 -1.184 5.866 1.00 0.00 H new ATOM 0 HG12 VAL A 64 73.170 -1.781 7.140 1.00 0.00 H new ATOM 0 HG13 VAL A 64 73.243 -0.077 6.633 1.00 0.00 H new ATOM 0 HG21 VAL A 64 72.995 -0.580 3.619 1.00 0.00 H new ATOM 0 HG22 VAL A 64 74.163 0.522 4.386 1.00 0.00 H new ATOM 0 HG23 VAL A 64 74.735 -0.758 3.290 1.00 0.00 H new ATOM 965 N THR A 65 76.736 -3.137 4.748 1.00 0.00 N ATOM 966 CA THR A 65 77.693 -3.697 3.760 1.00 0.00 C ATOM 967 C THR A 65 76.930 -4.008 2.471 1.00 0.00 C ATOM 968 O THR A 65 75.716 -4.003 2.449 1.00 0.00 O ATOM 969 CB THR A 65 78.311 -4.983 4.315 1.00 0.00 C ATOM 970 OG1 THR A 65 77.276 -5.859 4.737 1.00 0.00 O ATOM 971 CG2 THR A 65 79.213 -4.647 5.503 1.00 0.00 C ATOM 0 H THR A 65 76.275 -3.824 5.344 1.00 0.00 H new ATOM 0 HA THR A 65 78.489 -2.980 3.561 1.00 0.00 H new ATOM 0 HB THR A 65 78.903 -5.467 3.538 1.00 0.00 H new ATOM 0 HG1 THR A 65 77.670 -6.684 5.091 1.00 0.00 H new ATOM 0 HG21 THR A 65 79.652 -5.563 5.897 1.00 0.00 H new ATOM 0 HG22 THR A 65 80.007 -3.975 5.178 1.00 0.00 H new ATOM 0 HG23 THR A 65 78.624 -4.163 6.282 1.00 0.00 H new ATOM 979 N ASP A 66 77.620 -4.273 1.399 1.00 0.00 N ATOM 980 CA ASP A 66 76.911 -4.574 0.128 1.00 0.00 C ATOM 981 C ASP A 66 76.167 -5.904 0.257 1.00 0.00 C ATOM 982 O ASP A 66 75.316 -6.231 -0.547 1.00 0.00 O ATOM 983 CB ASP A 66 77.923 -4.659 -1.018 1.00 0.00 C ATOM 984 CG ASP A 66 77.647 -3.545 -2.027 1.00 0.00 C ATOM 985 OD1 ASP A 66 76.903 -2.638 -1.691 1.00 0.00 O ATOM 986 OD2 ASP A 66 78.184 -3.616 -3.121 1.00 0.00 O ATOM 0 H ASP A 66 78.639 -4.294 1.348 1.00 0.00 H new ATOM 0 HA ASP A 66 76.195 -3.780 -0.082 1.00 0.00 H new ATOM 0 HB2 ASP A 66 78.937 -4.568 -0.629 1.00 0.00 H new ATOM 0 HB3 ASP A 66 77.855 -5.631 -1.506 1.00 0.00 H new ATOM 991 N ALA A 67 76.474 -6.672 1.265 1.00 0.00 N ATOM 992 CA ALA A 67 75.774 -7.974 1.444 1.00 0.00 C ATOM 993 C ALA A 67 74.379 -7.719 2.013 1.00 0.00 C ATOM 994 O ALA A 67 73.380 -7.998 1.381 1.00 0.00 O ATOM 995 CB ALA A 67 76.569 -8.854 2.409 1.00 0.00 C ATOM 0 H ALA A 67 77.178 -6.455 1.971 1.00 0.00 H new ATOM 0 HA ALA A 67 75.690 -8.481 0.483 1.00 0.00 H new ATOM 0 HB1 ALA A 67 76.056 -9.807 2.539 1.00 0.00 H new ATOM 0 HB2 ALA A 67 77.565 -9.031 2.003 1.00 0.00 H new ATOM 0 HB3 ALA A 67 76.654 -8.353 3.373 1.00 0.00 H new ATOM 1001 N GLU A 68 74.301 -7.187 3.202 1.00 0.00 N ATOM 1002 CA GLU A 68 72.969 -6.914 3.802 1.00 0.00 C ATOM 1003 C GLU A 68 72.205 -5.930 2.914 1.00 0.00 C ATOM 1004 O GLU A 68 70.996 -5.986 2.806 1.00 0.00 O ATOM 1005 CB GLU A 68 73.144 -6.315 5.198 1.00 0.00 C ATOM 1006 CG GLU A 68 73.980 -5.038 5.107 1.00 0.00 C ATOM 1007 CD GLU A 68 73.989 -4.339 6.468 1.00 0.00 C ATOM 1008 OE1 GLU A 68 72.940 -3.870 6.877 1.00 0.00 O ATOM 1009 OE2 GLU A 68 75.045 -4.284 7.077 1.00 0.00 O ATOM 0 H GLU A 68 75.101 -6.931 3.781 1.00 0.00 H new ATOM 0 HA GLU A 68 72.409 -7.846 3.880 1.00 0.00 H new ATOM 0 HB2 GLU A 68 72.170 -6.094 5.635 1.00 0.00 H new ATOM 0 HB3 GLU A 68 73.632 -7.035 5.855 1.00 0.00 H new ATOM 0 HG2 GLU A 68 74.999 -5.278 4.802 1.00 0.00 H new ATOM 0 HG3 GLU A 68 73.568 -4.374 4.347 1.00 0.00 H new ATOM 1016 N ALA A 69 72.899 -5.026 2.277 1.00 0.00 N ATOM 1017 CA ALA A 69 72.204 -4.045 1.398 1.00 0.00 C ATOM 1018 C ALA A 69 71.623 -4.772 0.184 1.00 0.00 C ATOM 1019 O ALA A 69 70.577 -4.416 -0.320 1.00 0.00 O ATOM 1020 CB ALA A 69 73.200 -2.983 0.927 1.00 0.00 C ATOM 0 H ALA A 69 73.913 -4.925 2.327 1.00 0.00 H new ATOM 0 HA ALA A 69 71.400 -3.565 1.955 1.00 0.00 H new ATOM 0 HB1 ALA A 69 72.690 -2.266 0.284 1.00 0.00 H new ATOM 0 HB2 ALA A 69 73.615 -2.464 1.791 1.00 0.00 H new ATOM 0 HB3 ALA A 69 74.006 -3.461 0.370 1.00 0.00 H new ATOM 1026 N LYS A 70 72.292 -5.785 -0.289 1.00 0.00 N ATOM 1027 CA LYS A 70 71.776 -6.528 -1.471 1.00 0.00 C ATOM 1028 C LYS A 70 70.488 -7.265 -1.094 1.00 0.00 C ATOM 1029 O LYS A 70 69.533 -7.282 -1.843 1.00 0.00 O ATOM 1030 CB LYS A 70 72.823 -7.541 -1.940 1.00 0.00 C ATOM 1031 CG LYS A 70 72.623 -7.825 -3.430 1.00 0.00 C ATOM 1032 CD LYS A 70 73.897 -8.441 -4.009 1.00 0.00 C ATOM 1033 CE LYS A 70 74.697 -7.366 -4.747 1.00 0.00 C ATOM 1034 NZ LYS A 70 75.301 -6.427 -3.759 1.00 0.00 N ATOM 0 H LYS A 70 73.173 -6.130 0.091 1.00 0.00 H new ATOM 0 HA LYS A 70 71.568 -5.822 -2.275 1.00 0.00 H new ATOM 0 HB2 LYS A 70 73.826 -7.152 -1.764 1.00 0.00 H new ATOM 0 HB3 LYS A 70 72.734 -8.464 -1.367 1.00 0.00 H new ATOM 0 HG2 LYS A 70 71.782 -8.503 -3.572 1.00 0.00 H new ATOM 0 HG3 LYS A 70 72.381 -6.902 -3.957 1.00 0.00 H new ATOM 0 HD2 LYS A 70 74.500 -8.873 -3.210 1.00 0.00 H new ATOM 0 HD3 LYS A 70 73.643 -9.252 -4.691 1.00 0.00 H new ATOM 0 HE2 LYS A 70 75.479 -7.829 -5.349 1.00 0.00 H new ATOM 0 HE3 LYS A 70 74.048 -6.821 -5.432 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 75.990 -5.814 -4.239 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 74.553 -5.842 -3.334 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 75.782 -6.970 -3.013 1.00 0.00 H new ATOM 1048 N GLN A 71 70.456 -7.879 0.057 1.00 0.00 N ATOM 1049 CA GLN A 71 69.233 -8.616 0.473 1.00 0.00 C ATOM 1050 C GLN A 71 68.131 -7.623 0.840 1.00 0.00 C ATOM 1051 O GLN A 71 66.965 -7.947 0.812 1.00 0.00 O ATOM 1052 CB GLN A 71 69.555 -9.513 1.678 1.00 0.00 C ATOM 1053 CG GLN A 71 69.518 -8.692 2.973 1.00 0.00 C ATOM 1054 CD GLN A 71 68.190 -8.938 3.695 1.00 0.00 C ATOM 1055 OE1 GLN A 71 67.287 -7.994 3.725 1.00 0.00 O flip ATOM 1056 NE2 GLN A 71 67.970 -10.003 4.237 1.00 0.00 N flip ATOM 0 H GLN A 71 71.225 -7.901 0.727 1.00 0.00 H new ATOM 0 HA GLN A 71 68.888 -9.239 -0.353 1.00 0.00 H new ATOM 0 HB2 GLN A 71 68.835 -10.330 1.736 1.00 0.00 H new ATOM 0 HB3 GLN A 71 70.539 -9.964 1.552 1.00 0.00 H new ATOM 0 HG2 GLN A 71 70.352 -8.971 3.617 1.00 0.00 H new ATOM 0 HG3 GLN A 71 69.631 -7.632 2.747 1.00 0.00 H new ATOM 0 HE21 GLN A 71 68.673 -10.741 4.215 1.00 0.00 H new ATOM 0 HE22 GLN A 71 67.082 -10.159 4.714 1.00 0.00 H new ATOM 1065 N LEU A 72 68.491 -6.420 1.190 1.00 0.00 N ATOM 1066 CA LEU A 72 67.456 -5.416 1.559 1.00 0.00 C ATOM 1067 C LEU A 72 66.837 -4.836 0.288 1.00 0.00 C ATOM 1068 O LEU A 72 65.687 -4.445 0.269 1.00 0.00 O ATOM 1069 CB LEU A 72 68.097 -4.297 2.381 1.00 0.00 C ATOM 1070 CG LEU A 72 68.466 -4.829 3.767 1.00 0.00 C ATOM 1071 CD1 LEU A 72 69.567 -3.959 4.374 1.00 0.00 C ATOM 1072 CD2 LEU A 72 67.232 -4.791 4.671 1.00 0.00 C ATOM 0 H LEU A 72 69.455 -6.089 1.236 1.00 0.00 H new ATOM 0 HA LEU A 72 66.678 -5.895 2.154 1.00 0.00 H new ATOM 0 HB2 LEU A 72 68.987 -3.923 1.875 1.00 0.00 H new ATOM 0 HB3 LEU A 72 67.407 -3.458 2.474 1.00 0.00 H new ATOM 0 HG LEU A 72 68.823 -5.855 3.678 1.00 0.00 H new ATOM 0 HD11 LEU A 72 69.829 -4.339 5.361 1.00 0.00 H new ATOM 0 HD12 LEU A 72 70.447 -3.984 3.731 1.00 0.00 H new ATOM 0 HD13 LEU A 72 69.212 -2.932 4.463 1.00 0.00 H new ATOM 0 HD21 LEU A 72 67.493 -5.170 5.659 1.00 0.00 H new ATOM 0 HD22 LEU A 72 66.876 -3.764 4.758 1.00 0.00 H new ATOM 0 HD23 LEU A 72 66.446 -5.412 4.240 1.00 0.00 H new ATOM 1084 N ALA A 73 67.585 -4.787 -0.779 1.00 0.00 N ATOM 1085 CA ALA A 73 67.028 -4.244 -2.048 1.00 0.00 C ATOM 1086 C ALA A 73 66.216 -5.338 -2.736 1.00 0.00 C ATOM 1087 O ALA A 73 65.146 -5.096 -3.258 1.00 0.00 O ATOM 1088 CB ALA A 73 68.170 -3.802 -2.965 1.00 0.00 C ATOM 0 H ALA A 73 68.555 -5.099 -0.827 1.00 0.00 H new ATOM 0 HA ALA A 73 66.391 -3.386 -1.834 1.00 0.00 H new ATOM 0 HB1 ALA A 73 67.759 -3.405 -3.893 1.00 0.00 H new ATOM 0 HB2 ALA A 73 68.757 -3.029 -2.469 1.00 0.00 H new ATOM 0 HB3 ALA A 73 68.809 -4.656 -3.188 1.00 0.00 H new ATOM 1094 N GLN A 74 66.711 -6.544 -2.730 1.00 0.00 N ATOM 1095 CA GLN A 74 65.962 -7.657 -3.371 1.00 0.00 C ATOM 1096 C GLN A 74 64.748 -7.989 -2.507 1.00 0.00 C ATOM 1097 O GLN A 74 63.694 -8.332 -3.003 1.00 0.00 O ATOM 1098 CB GLN A 74 66.864 -8.888 -3.485 1.00 0.00 C ATOM 1099 CG GLN A 74 67.247 -9.107 -4.949 1.00 0.00 C ATOM 1100 CD GLN A 74 66.853 -10.522 -5.375 1.00 0.00 C ATOM 1101 OE1 GLN A 74 67.694 -11.394 -5.476 1.00 0.00 O ATOM 1102 NE2 GLN A 74 65.601 -10.789 -5.632 1.00 0.00 N ATOM 0 H GLN A 74 67.602 -6.806 -2.308 1.00 0.00 H new ATOM 0 HA GLN A 74 65.640 -7.361 -4.369 1.00 0.00 H new ATOM 0 HB2 GLN A 74 67.761 -8.752 -2.880 1.00 0.00 H new ATOM 0 HB3 GLN A 74 66.348 -9.767 -3.098 1.00 0.00 H new ATOM 0 HG2 GLN A 74 66.746 -8.373 -5.580 1.00 0.00 H new ATOM 0 HG3 GLN A 74 68.319 -8.962 -5.081 1.00 0.00 H new ATOM 0 HE21 GLN A 74 64.896 -10.057 -5.547 1.00 0.00 H new ATOM 0 HE22 GLN A 74 65.328 -11.729 -5.918 1.00 0.00 H new ATOM 1111 N TRP A 75 64.887 -7.880 -1.214 1.00 0.00 N ATOM 1112 CA TRP A 75 63.739 -8.177 -0.312 1.00 0.00 C ATOM 1113 C TRP A 75 62.690 -7.069 -0.462 1.00 0.00 C ATOM 1114 O TRP A 75 61.511 -7.331 -0.593 1.00 0.00 O ATOM 1115 CB TRP A 75 64.239 -8.247 1.140 1.00 0.00 C ATOM 1116 CG TRP A 75 63.125 -7.954 2.094 1.00 0.00 C ATOM 1117 CD1 TRP A 75 61.949 -8.619 2.155 1.00 0.00 C ATOM 1118 CD2 TRP A 75 63.069 -6.924 3.120 1.00 0.00 C ATOM 1119 NE1 TRP A 75 61.173 -8.058 3.155 1.00 0.00 N ATOM 1120 CE2 TRP A 75 61.821 -7.010 3.778 1.00 0.00 C ATOM 1121 CE3 TRP A 75 63.974 -5.932 3.536 1.00 0.00 C ATOM 1122 CZ2 TRP A 75 61.480 -6.141 4.815 1.00 0.00 C ATOM 1123 CZ3 TRP A 75 63.636 -5.056 4.580 1.00 0.00 C ATOM 1124 CH2 TRP A 75 62.391 -5.160 5.217 1.00 0.00 C ATOM 0 H TRP A 75 65.747 -7.598 -0.743 1.00 0.00 H new ATOM 0 HA TRP A 75 63.289 -9.134 -0.576 1.00 0.00 H new ATOM 0 HB2 TRP A 75 64.648 -9.237 1.342 1.00 0.00 H new ATOM 0 HB3 TRP A 75 65.048 -7.532 1.287 1.00 0.00 H new ATOM 0 HD1 TRP A 75 61.663 -9.450 1.528 1.00 0.00 H new ATOM 0 HE1 TRP A 75 60.237 -8.380 3.401 1.00 0.00 H new ATOM 0 HE3 TRP A 75 64.934 -5.843 3.050 1.00 0.00 H new ATOM 0 HZ2 TRP A 75 60.520 -6.226 5.303 1.00 0.00 H new ATOM 0 HZ3 TRP A 75 64.338 -4.298 4.894 1.00 0.00 H new ATOM 0 HH2 TRP A 75 62.136 -4.482 6.018 1.00 0.00 H new ATOM 1135 N ILE A 76 63.110 -5.831 -0.447 1.00 0.00 N ATOM 1136 CA ILE A 76 62.132 -4.717 -0.592 1.00 0.00 C ATOM 1137 C ILE A 76 61.410 -4.856 -1.933 1.00 0.00 C ATOM 1138 O ILE A 76 60.211 -4.677 -2.027 1.00 0.00 O ATOM 1139 CB ILE A 76 62.871 -3.377 -0.543 1.00 0.00 C ATOM 1140 CG1 ILE A 76 63.285 -3.074 0.899 1.00 0.00 C ATOM 1141 CG2 ILE A 76 61.952 -2.263 -1.051 1.00 0.00 C ATOM 1142 CD1 ILE A 76 64.466 -2.102 0.895 1.00 0.00 C ATOM 0 H ILE A 76 64.084 -5.546 -0.341 1.00 0.00 H new ATOM 0 HA ILE A 76 61.407 -4.757 0.221 1.00 0.00 H new ATOM 0 HB ILE A 76 63.758 -3.432 -1.174 1.00 0.00 H new ATOM 0 HG12 ILE A 76 62.447 -2.643 1.447 1.00 0.00 H new ATOM 0 HG13 ILE A 76 63.560 -3.996 1.411 1.00 0.00 H new ATOM 0 HG21 ILE A 76 62.481 -1.310 -1.015 1.00 0.00 H new ATOM 0 HG22 ILE A 76 61.656 -2.475 -2.078 1.00 0.00 H new ATOM 0 HG23 ILE A 76 61.064 -2.209 -0.422 1.00 0.00 H new ATOM 0 HD11 ILE A 76 64.762 -1.885 1.921 1.00 0.00 H new ATOM 0 HD12 ILE A 76 65.305 -2.551 0.362 1.00 0.00 H new ATOM 0 HD13 ILE A 76 64.174 -1.177 0.398 1.00 0.00 H new ATOM 1154 N LEU A 77 62.132 -5.177 -2.971 1.00 0.00 N ATOM 1155 CA LEU A 77 61.490 -5.332 -4.306 1.00 0.00 C ATOM 1156 C LEU A 77 60.588 -6.566 -4.289 1.00 0.00 C ATOM 1157 O LEU A 77 59.569 -6.613 -4.950 1.00 0.00 O ATOM 1158 CB LEU A 77 62.574 -5.501 -5.372 1.00 0.00 C ATOM 1159 CG LEU A 77 63.396 -4.215 -5.471 1.00 0.00 C ATOM 1160 CD1 LEU A 77 64.561 -4.424 -6.440 1.00 0.00 C ATOM 1161 CD2 LEU A 77 62.506 -3.079 -5.983 1.00 0.00 C ATOM 0 H LEU A 77 63.139 -5.339 -2.952 1.00 0.00 H new ATOM 0 HA LEU A 77 60.893 -4.449 -4.535 1.00 0.00 H new ATOM 0 HB2 LEU A 77 63.221 -6.340 -5.118 1.00 0.00 H new ATOM 0 HB3 LEU A 77 62.119 -5.730 -6.336 1.00 0.00 H new ATOM 0 HG LEU A 77 63.785 -3.958 -4.486 1.00 0.00 H new ATOM 0 HD11 LEU A 77 65.146 -3.507 -6.509 1.00 0.00 H new ATOM 0 HD12 LEU A 77 65.196 -5.232 -6.077 1.00 0.00 H new ATOM 0 HD13 LEU A 77 64.173 -4.682 -7.425 1.00 0.00 H new ATOM 0 HD21 LEU A 77 63.091 -2.162 -6.054 1.00 0.00 H new ATOM 0 HD22 LEU A 77 62.116 -3.338 -6.967 1.00 0.00 H new ATOM 0 HD23 LEU A 77 61.676 -2.927 -5.293 1.00 0.00 H new ATOM 1173 N SER A 78 60.950 -7.565 -3.531 1.00 0.00 N ATOM 1174 CA SER A 78 60.109 -8.790 -3.465 1.00 0.00 C ATOM 1175 C SER A 78 58.869 -8.498 -2.619 1.00 0.00 C ATOM 1176 O SER A 78 57.873 -9.190 -2.695 1.00 0.00 O ATOM 1177 CB SER A 78 60.908 -9.928 -2.828 1.00 0.00 C ATOM 1178 OG SER A 78 61.091 -10.965 -3.784 1.00 0.00 O ATOM 0 H SER A 78 61.792 -7.584 -2.955 1.00 0.00 H new ATOM 0 HA SER A 78 59.808 -9.084 -4.471 1.00 0.00 H new ATOM 0 HB2 SER A 78 61.875 -9.561 -2.483 1.00 0.00 H new ATOM 0 HB3 SER A 78 60.382 -10.312 -1.954 1.00 0.00 H new ATOM 0 HG SER A 78 61.604 -11.696 -3.380 1.00 0.00 H new ATOM 1184 N ILE A 79 58.920 -7.470 -1.816 1.00 0.00 N ATOM 1185 CA ILE A 79 57.744 -7.123 -0.969 1.00 0.00 C ATOM 1186 C ILE A 79 56.634 -6.558 -1.865 1.00 0.00 C ATOM 1187 O ILE A 79 56.881 -5.771 -2.757 1.00 0.00 O ATOM 1188 CB ILE A 79 58.173 -6.086 0.086 1.00 0.00 C ATOM 1189 CG1 ILE A 79 58.687 -6.821 1.328 1.00 0.00 C ATOM 1190 CG2 ILE A 79 56.988 -5.197 0.480 1.00 0.00 C ATOM 1191 CD1 ILE A 79 59.142 -5.805 2.380 1.00 0.00 C ATOM 0 H ILE A 79 59.727 -6.855 -1.710 1.00 0.00 H new ATOM 0 HA ILE A 79 57.367 -8.008 -0.457 1.00 0.00 H new ATOM 0 HB ILE A 79 58.958 -5.457 -0.334 1.00 0.00 H new ATOM 0 HG12 ILE A 79 57.901 -7.455 1.738 1.00 0.00 H new ATOM 0 HG13 ILE A 79 59.516 -7.475 1.058 1.00 0.00 H new ATOM 0 HG21 ILE A 79 57.310 -4.471 1.226 1.00 0.00 H new ATOM 0 HG22 ILE A 79 56.618 -4.672 -0.401 1.00 0.00 H new ATOM 0 HG23 ILE A 79 56.192 -5.815 0.895 1.00 0.00 H new ATOM 0 HD11 ILE A 79 59.507 -6.332 3.261 1.00 0.00 H new ATOM 0 HD12 ILE A 79 59.942 -5.189 1.969 1.00 0.00 H new ATOM 0 HD13 ILE A 79 58.302 -5.169 2.659 1.00 0.00 H new ATOM 1203 N LYS A 80 55.412 -6.958 -1.634 1.00 0.00 N ATOM 1204 CA LYS A 80 54.289 -6.451 -2.470 1.00 0.00 C ATOM 1205 C LYS A 80 54.690 -6.497 -3.946 1.00 0.00 C ATOM 1206 O LYS A 80 54.473 -5.509 -4.630 1.00 0.00 O ATOM 1207 CB LYS A 80 53.965 -5.009 -2.072 1.00 0.00 C ATOM 1208 CG LYS A 80 53.716 -4.941 -0.564 1.00 0.00 C ATOM 1209 CD LYS A 80 52.323 -5.492 -0.253 1.00 0.00 C ATOM 1210 CE LYS A 80 51.863 -4.978 1.111 1.00 0.00 C ATOM 1211 NZ LYS A 80 50.419 -4.612 1.042 1.00 0.00 N ATOM 1212 OXT LYS A 80 55.207 -7.518 -4.367 1.00 0.00 O ATOM 0 H LYS A 80 55.144 -7.615 -0.901 1.00 0.00 H new ATOM 0 HA LYS A 80 53.410 -7.076 -2.314 1.00 0.00 H new ATOM 0 HB2 LYS A 80 54.790 -4.351 -2.345 1.00 0.00 H new ATOM 0 HB3 LYS A 80 53.085 -4.660 -2.613 1.00 0.00 H new ATOM 0 HG2 LYS A 80 54.474 -5.517 -0.033 1.00 0.00 H new ATOM 0 HG3 LYS A 80 53.797 -3.911 -0.217 1.00 0.00 H new ATOM 0 HD2 LYS A 80 51.618 -5.185 -1.026 1.00 0.00 H new ATOM 0 HD3 LYS A 80 52.343 -6.582 -0.255 1.00 0.00 H new ATOM 0 HE2 LYS A 80 52.020 -5.743 1.872 1.00 0.00 H new ATOM 0 HE3 LYS A 80 52.455 -4.111 1.404 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 50.105 -4.262 1.970 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 50.283 -3.869 0.327 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 49.861 -5.450 0.781 1.00 0.00 H new