USER MOD reduce.3.24.130724 H: found=0, std=0, add=581, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 584 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 114 GLN : amide:sc= -2.57 K(o=-2.9,f=-2.1!) USER MOD Set 1.2: A 117 GLN : amide:sc= -0.302 K(o=-2.9,f=-2.1) USER MOD Set 2.1: A 81 THR OG1 : rot -30:sc= 0.229 USER MOD Set 2.2: A 95 ASN : amide:sc= -1.65 K(o=-1.4,f=-4.7!) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 SER OG : rot 86:sc= 1.27 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0309) USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 GLN : amide:sc= 0 X(o=0,f=0.42) USER MOD Single : A 88 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 MET CE :methyl -133:sc=-0.00677 (180deg=-0.0495) USER MOD Single : A 92 THR OG1 : rot -150:sc= 0 USER MOD Single : A 98 THR OG1 : rot 180:sc= 0 USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 121 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 47 14.017 15.455 -4.612 1.00 0.00 N ATOM 2 CA ALA A 47 13.821 14.199 -3.836 1.00 0.00 C ATOM 3 C ALA A 47 12.381 14.138 -3.339 1.00 0.00 C ATOM 4 O ALA A 47 11.927 15.011 -2.600 1.00 0.00 O ATOM 5 CB ALA A 47 14.766 14.130 -2.636 1.00 0.00 C ATOM 0 HA ALA A 47 14.038 13.356 -4.492 1.00 0.00 H new ATOM 0 HB1 ALA A 47 14.596 13.201 -2.092 1.00 0.00 H new ATOM 0 HB2 ALA A 47 15.799 14.163 -2.984 1.00 0.00 H new ATOM 0 HB3 ALA A 47 14.578 14.977 -1.976 1.00 0.00 H new ATOM 13 N GLY A 48 11.668 13.096 -3.756 1.00 0.00 N ATOM 14 CA GLY A 48 10.276 12.926 -3.347 1.00 0.00 C ATOM 15 C GLY A 48 9.700 11.632 -3.912 1.00 0.00 C ATOM 16 O GLY A 48 8.995 10.896 -3.222 1.00 0.00 O ATOM 0 H GLY A 48 12.025 12.364 -4.370 1.00 0.00 H new ATOM 0 HA2 GLY A 48 10.211 12.914 -2.259 1.00 0.00 H new ATOM 0 HA3 GLY A 48 9.685 13.774 -3.692 1.00 0.00 H new ATOM 20 N ALA A 49 10.010 11.364 -5.178 1.00 0.00 N ATOM 21 CA ALA A 49 9.519 10.154 -5.832 1.00 0.00 C ATOM 22 C ALA A 49 10.066 8.912 -5.135 1.00 0.00 C ATOM 23 O ALA A 49 10.775 9.006 -4.133 1.00 0.00 O ATOM 24 CB ALA A 49 9.944 10.130 -7.300 1.00 0.00 C ATOM 0 H ALA A 49 10.592 11.961 -5.766 1.00 0.00 H new ATOM 0 HA ALA A 49 8.431 10.155 -5.770 1.00 0.00 H new ATOM 0 HB1 ALA A 49 9.570 9.222 -7.772 1.00 0.00 H new ATOM 0 HB2 ALA A 49 9.534 11.001 -7.812 1.00 0.00 H new ATOM 0 HB3 ALA A 49 11.032 10.151 -7.364 1.00 0.00 H new ATOM 30 N GLY A 50 9.728 7.746 -5.679 1.00 0.00 N ATOM 31 CA GLY A 50 10.189 6.485 -5.104 1.00 0.00 C ATOM 32 C GLY A 50 9.580 6.264 -3.724 1.00 0.00 C ATOM 33 O GLY A 50 8.583 5.558 -3.575 1.00 0.00 O ATOM 0 H GLY A 50 9.143 7.647 -6.509 1.00 0.00 H new ATOM 0 HA2 GLY A 50 9.918 5.660 -5.762 1.00 0.00 H new ATOM 0 HA3 GLY A 50 11.276 6.490 -5.030 1.00 0.00 H new ATOM 37 N LYS A 51 10.194 6.876 -2.716 1.00 0.00 N ATOM 38 CA LYS A 51 9.707 6.742 -1.345 1.00 0.00 C ATOM 39 C LYS A 51 8.473 7.614 -1.130 1.00 0.00 C ATOM 40 O LYS A 51 8.389 8.733 -1.638 1.00 0.00 O ATOM 41 CB LYS A 51 10.792 7.157 -0.349 1.00 0.00 C ATOM 42 CG LYS A 51 10.489 6.547 1.021 1.00 0.00 C ATOM 43 CD LYS A 51 11.771 6.508 1.855 1.00 0.00 C ATOM 44 CE LYS A 51 11.418 6.620 3.340 1.00 0.00 C ATOM 45 NZ LYS A 51 12.585 7.082 4.143 1.00 0.00 N ATOM 0 H LYS A 51 11.021 7.464 -2.819 1.00 0.00 H new ATOM 0 HA LYS A 51 9.445 5.697 -1.181 1.00 0.00 H new ATOM 0 HB2 LYS A 51 11.769 6.823 -0.699 1.00 0.00 H new ATOM 0 HB3 LYS A 51 10.835 8.244 -0.274 1.00 0.00 H new ATOM 0 HG2 LYS A 51 9.727 7.135 1.533 1.00 0.00 H new ATOM 0 HG3 LYS A 51 10.088 5.540 0.902 1.00 0.00 H new ATOM 0 HD2 LYS A 51 12.311 5.580 1.668 1.00 0.00 H new ATOM 0 HD3 LYS A 51 12.431 7.325 1.565 1.00 0.00 H new ATOM 0 HE2 LYS A 51 10.589 7.316 3.467 1.00 0.00 H new ATOM 0 HE3 LYS A 51 11.081 5.652 3.709 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 12.313 7.148 5.145 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 13.367 6.404 4.040 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 12.890 8.017 3.805 1.00 0.00 H new ATOM 59 N ALA A 52 7.517 7.088 -0.370 1.00 0.00 N ATOM 60 CA ALA A 52 6.288 7.825 -0.091 1.00 0.00 C ATOM 61 C ALA A 52 6.533 8.879 0.987 1.00 0.00 C ATOM 62 O ALA A 52 7.641 9.013 1.505 1.00 0.00 O ATOM 63 CB ALA A 52 5.182 6.868 0.372 1.00 0.00 C ATOM 0 H ALA A 52 7.568 6.164 0.060 1.00 0.00 H new ATOM 0 HA ALA A 52 5.971 8.319 -1.010 1.00 0.00 H new ATOM 0 HB1 ALA A 52 4.273 7.434 0.576 1.00 0.00 H new ATOM 0 HB2 ALA A 52 4.985 6.134 -0.410 1.00 0.00 H new ATOM 0 HB3 ALA A 52 5.501 6.355 1.279 1.00 0.00 H new ATOM 69 N GLY A 53 5.482 9.623 1.317 1.00 0.00 N ATOM 70 CA GLY A 53 5.587 10.664 2.334 1.00 0.00 C ATOM 71 C GLY A 53 4.754 11.880 1.946 1.00 0.00 C ATOM 72 O GLY A 53 4.167 12.548 2.799 1.00 0.00 O ATOM 0 H GLY A 53 4.556 9.526 0.900 1.00 0.00 H new ATOM 0 HA2 GLY A 53 5.249 10.276 3.295 1.00 0.00 H new ATOM 0 HA3 GLY A 53 6.630 10.955 2.457 1.00 0.00 H new ATOM 76 N GLU A 54 4.710 12.160 0.648 1.00 0.00 N ATOM 77 CA GLU A 54 3.946 13.299 0.148 1.00 0.00 C ATOM 78 C GLU A 54 2.511 12.878 -0.173 1.00 0.00 C ATOM 79 O GLU A 54 2.026 13.048 -1.293 1.00 0.00 O ATOM 80 CB GLU A 54 4.605 13.872 -1.110 1.00 0.00 C ATOM 81 CG GLU A 54 3.913 15.179 -1.503 1.00 0.00 C ATOM 82 CD GLU A 54 4.048 15.394 -3.006 1.00 0.00 C ATOM 83 OE1 GLU A 54 3.499 14.598 -3.750 1.00 0.00 O ATOM 84 OE2 GLU A 54 4.698 16.352 -3.392 1.00 0.00 O ATOM 0 H GLU A 54 5.190 11.620 -0.072 1.00 0.00 H new ATOM 0 HA GLU A 54 3.929 14.065 0.923 1.00 0.00 H new ATOM 0 HB2 GLU A 54 5.665 14.050 -0.928 1.00 0.00 H new ATOM 0 HB3 GLU A 54 4.538 13.154 -1.927 1.00 0.00 H new ATOM 0 HG2 GLU A 54 2.860 15.144 -1.223 1.00 0.00 H new ATOM 0 HG3 GLU A 54 4.358 16.015 -0.964 1.00 0.00 H new ATOM 91 N GLY A 55 1.835 12.326 0.832 1.00 0.00 N ATOM 92 CA GLY A 55 0.454 11.883 0.654 1.00 0.00 C ATOM 93 C GLY A 55 0.389 10.380 0.404 1.00 0.00 C ATOM 94 O GLY A 55 -0.589 9.720 0.758 1.00 0.00 O ATOM 0 H GLY A 55 2.215 12.176 1.767 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -0.129 12.133 1.540 1.00 0.00 H new ATOM 0 HA3 GLY A 55 0.003 12.414 -0.184 1.00 0.00 H new ATOM 98 N GLU A 56 1.438 9.845 -0.214 1.00 0.00 N ATOM 99 CA GLU A 56 1.487 8.415 -0.512 1.00 0.00 C ATOM 100 C GLU A 56 1.810 7.612 0.744 1.00 0.00 C ATOM 101 O GLU A 56 2.640 8.011 1.560 1.00 0.00 O ATOM 102 CB GLU A 56 2.548 8.126 -1.576 1.00 0.00 C ATOM 103 CG GLU A 56 2.251 8.951 -2.830 1.00 0.00 C ATOM 104 CD GLU A 56 3.324 8.686 -3.880 1.00 0.00 C ATOM 105 OE1 GLU A 56 3.636 7.528 -4.101 1.00 0.00 O ATOM 106 OE2 GLU A 56 3.819 9.647 -4.448 1.00 0.00 O ATOM 0 H GLU A 56 2.258 10.372 -0.516 1.00 0.00 H new ATOM 0 HA GLU A 56 0.507 8.119 -0.885 1.00 0.00 H new ATOM 0 HB2 GLU A 56 3.539 8.371 -1.193 1.00 0.00 H new ATOM 0 HB3 GLU A 56 2.554 7.064 -1.820 1.00 0.00 H new ATOM 0 HG2 GLU A 56 1.269 8.691 -3.225 1.00 0.00 H new ATOM 0 HG3 GLU A 56 2.224 10.012 -2.582 1.00 0.00 H new ATOM 113 N ILE A 57 1.139 6.472 0.885 1.00 0.00 N ATOM 114 CA ILE A 57 1.355 5.606 2.041 1.00 0.00 C ATOM 115 C ILE A 57 2.608 4.748 1.831 1.00 0.00 C ATOM 116 O ILE A 57 2.655 3.935 0.908 1.00 0.00 O ATOM 117 CB ILE A 57 0.153 4.682 2.250 1.00 0.00 C ATOM 118 CG1 ILE A 57 -1.133 5.512 2.296 1.00 0.00 C ATOM 119 CG2 ILE A 57 0.311 3.924 3.568 1.00 0.00 C ATOM 120 CD1 ILE A 57 -2.345 4.579 2.259 1.00 0.00 C ATOM 0 H ILE A 57 0.447 6.128 0.219 1.00 0.00 H new ATOM 0 HA ILE A 57 1.484 6.239 2.919 1.00 0.00 H new ATOM 0 HB ILE A 57 0.100 3.972 1.425 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -1.155 6.118 3.202 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -1.165 6.200 1.451 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -0.546 3.267 3.715 1.00 0.00 H new ATOM 0 HG22 ILE A 57 1.224 3.329 3.538 1.00 0.00 H new ATOM 0 HG23 ILE A 57 0.368 4.635 4.392 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -3.260 5.170 2.292 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -2.325 3.992 1.341 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -2.315 3.909 3.118 1.00 0.00 H new ATOM 132 N PRO A 58 3.639 4.910 2.675 1.00 0.00 N ATOM 133 CA PRO A 58 4.880 4.129 2.547 1.00 0.00 C ATOM 134 C PRO A 58 4.691 2.669 2.954 1.00 0.00 C ATOM 135 O PRO A 58 4.040 2.367 3.954 1.00 0.00 O ATOM 136 CB PRO A 58 5.854 4.823 3.496 1.00 0.00 C ATOM 137 CG PRO A 58 4.994 5.501 4.506 1.00 0.00 C ATOM 138 CD PRO A 58 3.706 5.845 3.814 1.00 0.00 C ATOM 0 HA PRO A 58 5.228 4.098 1.515 1.00 0.00 H new ATOM 0 HB2 PRO A 58 6.525 4.105 3.968 1.00 0.00 H new ATOM 0 HB3 PRO A 58 6.479 5.541 2.964 1.00 0.00 H new ATOM 0 HG2 PRO A 58 4.812 4.849 5.360 1.00 0.00 H new ATOM 0 HG3 PRO A 58 5.480 6.399 4.888 1.00 0.00 H new ATOM 0 HD2 PRO A 58 2.852 5.721 4.480 1.00 0.00 H new ATOM 0 HD3 PRO A 58 3.700 6.882 3.478 1.00 0.00 H new ATOM 146 N ALA A 59 5.268 1.769 2.163 1.00 0.00 N ATOM 147 CA ALA A 59 5.158 0.339 2.444 1.00 0.00 C ATOM 148 C ALA A 59 5.787 0.012 3.802 1.00 0.00 C ATOM 149 O ALA A 59 6.763 0.641 4.208 1.00 0.00 O ATOM 150 CB ALA A 59 5.866 -0.475 1.361 1.00 0.00 C ATOM 0 H ALA A 59 5.811 2.000 1.331 1.00 0.00 H new ATOM 0 HA ALA A 59 4.099 0.080 2.460 1.00 0.00 H new ATOM 0 HB1 ALA A 59 5.774 -1.538 1.586 1.00 0.00 H new ATOM 0 HB2 ALA A 59 5.409 -0.268 0.393 1.00 0.00 H new ATOM 0 HB3 ALA A 59 6.920 -0.200 1.330 1.00 0.00 H new ATOM 156 N PRO A 60 5.234 -0.977 4.518 1.00 0.00 N ATOM 157 CA PRO A 60 5.755 -1.378 5.834 1.00 0.00 C ATOM 158 C PRO A 60 7.085 -2.119 5.728 1.00 0.00 C ATOM 159 O PRO A 60 7.911 -2.076 6.641 1.00 0.00 O ATOM 160 CB PRO A 60 4.675 -2.301 6.392 1.00 0.00 C ATOM 161 CG PRO A 60 3.970 -2.842 5.197 1.00 0.00 C ATOM 162 CD PRO A 60 4.067 -1.792 4.127 1.00 0.00 C ATOM 0 HA PRO A 60 5.956 -0.514 6.467 1.00 0.00 H new ATOM 0 HB2 PRO A 60 5.111 -3.102 6.988 1.00 0.00 H new ATOM 0 HB3 PRO A 60 3.989 -1.757 7.042 1.00 0.00 H new ATOM 0 HG2 PRO A 60 4.428 -3.775 4.867 1.00 0.00 H new ATOM 0 HG3 PRO A 60 2.928 -3.063 5.429 1.00 0.00 H new ATOM 0 HD2 PRO A 60 4.206 -2.239 3.143 1.00 0.00 H new ATOM 0 HD3 PRO A 60 3.160 -1.190 4.078 1.00 0.00 H new ATOM 170 N LEU A 61 7.281 -2.799 4.602 1.00 0.00 N ATOM 171 CA LEU A 61 8.514 -3.550 4.381 1.00 0.00 C ATOM 172 C LEU A 61 8.650 -3.928 2.910 1.00 0.00 C ATOM 173 O LEU A 61 7.697 -3.821 2.137 1.00 0.00 O ATOM 174 CB LEU A 61 8.522 -4.824 5.226 1.00 0.00 C ATOM 175 CG LEU A 61 7.265 -5.691 5.116 1.00 0.00 C ATOM 176 CD1 LEU A 61 7.400 -6.639 3.924 1.00 0.00 C ATOM 177 CD2 LEU A 61 7.096 -6.508 6.398 1.00 0.00 C ATOM 0 H LEU A 61 6.610 -2.846 3.835 1.00 0.00 H new ATOM 0 HA LEU A 61 9.352 -2.916 4.672 1.00 0.00 H new ATOM 0 HB2 LEU A 61 9.384 -5.425 4.938 1.00 0.00 H new ATOM 0 HB3 LEU A 61 8.661 -4.546 6.271 1.00 0.00 H new ATOM 0 HG LEU A 61 6.395 -5.050 4.974 1.00 0.00 H new ATOM 0 HD11 LEU A 61 6.505 -7.256 3.846 1.00 0.00 H new ATOM 0 HD12 LEU A 61 7.521 -6.059 3.009 1.00 0.00 H new ATOM 0 HD13 LEU A 61 8.271 -7.279 4.065 1.00 0.00 H new ATOM 0 HD21 LEU A 61 6.201 -7.126 6.321 1.00 0.00 H new ATOM 0 HD22 LEU A 61 7.967 -7.148 6.539 1.00 0.00 H new ATOM 0 HD23 LEU A 61 6.999 -5.834 7.249 1.00 0.00 H new ATOM 189 N ALA A 62 9.845 -4.372 2.532 1.00 0.00 N ATOM 190 CA ALA A 62 10.098 -4.766 1.149 1.00 0.00 C ATOM 191 C ALA A 62 9.594 -6.184 0.898 1.00 0.00 C ATOM 192 O ALA A 62 10.348 -7.153 0.989 1.00 0.00 O ATOM 193 CB ALA A 62 11.595 -4.706 0.840 1.00 0.00 C ATOM 0 H ALA A 62 10.646 -4.468 3.156 1.00 0.00 H new ATOM 0 HA ALA A 62 9.566 -4.071 0.499 1.00 0.00 H new ATOM 0 HB1 ALA A 62 11.765 -5.003 -0.195 1.00 0.00 H new ATOM 0 HB2 ALA A 62 11.957 -3.689 0.990 1.00 0.00 H new ATOM 0 HB3 ALA A 62 12.131 -5.384 1.505 1.00 0.00 H new ATOM 199 N GLY A 63 8.306 -6.295 0.581 1.00 0.00 N ATOM 200 CA GLY A 63 7.705 -7.599 0.319 1.00 0.00 C ATOM 201 C GLY A 63 7.023 -7.619 -1.044 1.00 0.00 C ATOM 202 O GLY A 63 7.302 -6.786 -1.907 1.00 0.00 O ATOM 0 H GLY A 63 7.665 -5.506 0.500 1.00 0.00 H new ATOM 0 HA2 GLY A 63 8.472 -8.372 0.358 1.00 0.00 H new ATOM 0 HA3 GLY A 63 6.978 -7.832 1.097 1.00 0.00 H new ATOM 206 N THR A 64 6.125 -8.582 -1.229 1.00 0.00 N ATOM 207 CA THR A 64 5.403 -8.709 -2.492 1.00 0.00 C ATOM 208 C THR A 64 3.916 -8.441 -2.288 1.00 0.00 C ATOM 209 O THR A 64 3.327 -8.851 -1.288 1.00 0.00 O ATOM 210 CB THR A 64 5.582 -10.115 -3.071 1.00 0.00 C ATOM 211 OG1 THR A 64 6.955 -10.472 -3.024 1.00 0.00 O ATOM 212 CG2 THR A 64 5.095 -10.137 -4.520 1.00 0.00 C ATOM 0 H THR A 64 5.881 -9.281 -0.527 1.00 0.00 H new ATOM 0 HA THR A 64 5.811 -7.975 -3.187 1.00 0.00 H new ATOM 0 HB THR A 64 5.001 -10.827 -2.485 1.00 0.00 H new ATOM 0 HG1 THR A 64 7.072 -11.373 -3.393 1.00 0.00 H new ATOM 0 HG21 THR A 64 5.223 -11.138 -4.932 1.00 0.00 H new ATOM 0 HG22 THR A 64 4.041 -9.863 -4.554 1.00 0.00 H new ATOM 0 HG23 THR A 64 5.674 -9.426 -5.109 1.00 0.00 H new ATOM 220 N VAL A 65 3.316 -7.748 -3.252 1.00 0.00 N ATOM 221 CA VAL A 65 1.892 -7.427 -3.176 1.00 0.00 C ATOM 222 C VAL A 65 1.060 -8.705 -3.235 1.00 0.00 C ATOM 223 O VAL A 65 1.224 -9.529 -4.136 1.00 0.00 O ATOM 224 CB VAL A 65 1.485 -6.508 -4.334 1.00 0.00 C ATOM 225 CG1 VAL A 65 0.033 -6.060 -4.150 1.00 0.00 C ATOM 226 CG2 VAL A 65 2.393 -5.273 -4.357 1.00 0.00 C ATOM 0 H VAL A 65 3.787 -7.400 -4.087 1.00 0.00 H new ATOM 0 HA VAL A 65 1.709 -6.916 -2.231 1.00 0.00 H new ATOM 0 HB VAL A 65 1.584 -7.053 -5.273 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -0.254 -5.407 -4.974 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -0.618 -6.934 -4.136 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -0.065 -5.520 -3.208 1.00 0.00 H new ATOM 0 HG21 VAL A 65 2.101 -4.622 -5.181 1.00 0.00 H new ATOM 0 HG22 VAL A 65 2.296 -4.732 -3.416 1.00 0.00 H new ATOM 0 HG23 VAL A 65 3.429 -5.585 -4.491 1.00 0.00 H new ATOM 236 N SER A 66 0.166 -8.863 -2.263 1.00 0.00 N ATOM 237 CA SER A 66 -0.687 -10.047 -2.212 1.00 0.00 C ATOM 238 C SER A 66 -2.053 -9.755 -2.828 1.00 0.00 C ATOM 239 O SER A 66 -2.448 -10.376 -3.815 1.00 0.00 O ATOM 240 CB SER A 66 -0.880 -10.510 -0.767 1.00 0.00 C ATOM 241 OG SER A 66 -0.954 -11.929 -0.735 1.00 0.00 O ATOM 0 H SER A 66 0.014 -8.195 -1.508 1.00 0.00 H new ATOM 0 HA SER A 66 -0.195 -10.835 -2.782 1.00 0.00 H new ATOM 0 HB2 SER A 66 -0.052 -10.163 -0.148 1.00 0.00 H new ATOM 0 HB3 SER A 66 -1.791 -10.077 -0.353 1.00 0.00 H new ATOM 0 HG SER A 66 -0.049 -12.303 -0.690 1.00 0.00 H new ATOM 247 N LYS A 67 -2.773 -8.804 -2.236 1.00 0.00 N ATOM 248 CA LYS A 67 -4.100 -8.446 -2.742 1.00 0.00 C ATOM 249 C LYS A 67 -4.404 -6.978 -2.463 1.00 0.00 C ATOM 250 O LYS A 67 -4.004 -6.430 -1.437 1.00 0.00 O ATOM 251 CB LYS A 67 -5.190 -9.299 -2.079 1.00 0.00 C ATOM 252 CG LYS A 67 -4.764 -10.770 -2.051 1.00 0.00 C ATOM 253 CD LYS A 67 -5.951 -11.638 -1.625 1.00 0.00 C ATOM 254 CE LYS A 67 -5.646 -13.106 -1.927 1.00 0.00 C ATOM 255 NZ LYS A 67 -6.895 -13.880 -2.179 1.00 0.00 N ATOM 0 H LYS A 67 -2.468 -8.274 -1.419 1.00 0.00 H new ATOM 0 HA LYS A 67 -4.096 -8.628 -3.817 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -5.372 -8.946 -1.064 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -6.127 -9.194 -2.626 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -4.411 -11.076 -3.036 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -3.933 -10.906 -1.358 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -6.146 -11.508 -0.561 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -6.851 -11.326 -2.155 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -4.993 -13.172 -2.797 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -5.106 -13.547 -1.089 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -6.654 -14.871 -2.381 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -7.506 -13.836 -1.339 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -7.397 -13.473 -2.994 1.00 0.00 H new ATOM 269 N ILE A 68 -5.131 -6.353 -3.386 1.00 0.00 N ATOM 270 CA ILE A 68 -5.501 -4.949 -3.232 1.00 0.00 C ATOM 271 C ILE A 68 -6.945 -4.847 -2.749 1.00 0.00 C ATOM 272 O ILE A 68 -7.859 -5.402 -3.358 1.00 0.00 O ATOM 273 CB ILE A 68 -5.358 -4.203 -4.563 1.00 0.00 C ATOM 274 CG1 ILE A 68 -3.943 -4.403 -5.115 1.00 0.00 C ATOM 275 CG2 ILE A 68 -5.607 -2.708 -4.345 1.00 0.00 C ATOM 276 CD1 ILE A 68 -3.986 -4.401 -6.643 1.00 0.00 C ATOM 0 H ILE A 68 -5.473 -6.792 -4.241 1.00 0.00 H new ATOM 0 HA ILE A 68 -4.833 -4.495 -2.500 1.00 0.00 H new ATOM 0 HB ILE A 68 -6.087 -4.595 -5.273 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -3.287 -3.609 -4.758 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -3.530 -5.345 -4.754 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -5.505 -2.180 -5.293 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -6.614 -2.560 -3.954 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -4.880 -2.318 -3.632 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -2.979 -4.543 -7.036 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -4.628 -5.210 -6.990 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -4.381 -3.448 -6.995 1.00 0.00 H new ATOM 288 N LEU A 69 -7.139 -4.140 -1.639 1.00 0.00 N ATOM 289 CA LEU A 69 -8.479 -3.985 -1.077 1.00 0.00 C ATOM 290 C LEU A 69 -9.112 -2.672 -1.528 1.00 0.00 C ATOM 291 O LEU A 69 -10.331 -2.575 -1.673 1.00 0.00 O ATOM 292 CB LEU A 69 -8.425 -4.013 0.449 1.00 0.00 C ATOM 293 CG LEU A 69 -8.380 -5.408 1.078 1.00 0.00 C ATOM 294 CD1 LEU A 69 -7.944 -5.297 2.540 1.00 0.00 C ATOM 295 CD2 LEU A 69 -9.772 -6.042 1.009 1.00 0.00 C ATOM 0 H LEU A 69 -6.398 -3.672 -1.117 1.00 0.00 H new ATOM 0 HA LEU A 69 -9.086 -4.816 -1.437 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -7.546 -3.457 0.775 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -9.297 -3.486 0.836 1.00 0.00 H new ATOM 0 HG LEU A 69 -7.668 -6.029 0.534 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -7.912 -6.291 2.987 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -6.954 -4.845 2.591 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -8.655 -4.676 3.086 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -9.742 -7.035 1.456 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -10.482 -5.420 1.554 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -10.084 -6.122 -0.032 1.00 0.00 H new ATOM 307 N VAL A 70 -8.278 -1.659 -1.745 1.00 0.00 N ATOM 308 CA VAL A 70 -8.781 -0.355 -2.174 1.00 0.00 C ATOM 309 C VAL A 70 -8.355 -0.057 -3.609 1.00 0.00 C ATOM 310 O VAL A 70 -7.280 -0.459 -4.051 1.00 0.00 O ATOM 311 CB VAL A 70 -8.263 0.753 -1.254 1.00 0.00 C ATOM 312 CG1 VAL A 70 -8.779 0.517 0.167 1.00 0.00 C ATOM 313 CG2 VAL A 70 -6.731 0.747 -1.245 1.00 0.00 C ATOM 0 H VAL A 70 -7.266 -1.712 -1.633 1.00 0.00 H new ATOM 0 HA VAL A 70 -9.869 -0.386 -2.122 1.00 0.00 H new ATOM 0 HB VAL A 70 -8.617 1.717 -1.618 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -8.411 1.305 0.823 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -9.869 0.526 0.165 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -8.425 -0.449 0.527 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -6.368 1.538 -0.589 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -6.373 -0.217 -0.884 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -6.361 0.916 -2.256 1.00 0.00 H new ATOM 323 N LYS A 71 -9.215 0.660 -4.326 1.00 0.00 N ATOM 324 CA LYS A 71 -8.926 1.018 -5.712 1.00 0.00 C ATOM 325 C LYS A 71 -9.316 2.468 -5.972 1.00 0.00 C ATOM 326 O LYS A 71 -10.053 3.077 -5.197 1.00 0.00 O ATOM 327 CB LYS A 71 -9.700 0.113 -6.674 1.00 0.00 C ATOM 328 CG LYS A 71 -11.190 0.151 -6.327 1.00 0.00 C ATOM 329 CD LYS A 71 -11.529 -1.016 -5.398 1.00 0.00 C ATOM 330 CE LYS A 71 -11.550 -2.318 -6.199 1.00 0.00 C ATOM 331 NZ LYS A 71 -12.809 -2.453 -6.985 1.00 0.00 N ATOM 0 H LYS A 71 -10.110 1.002 -3.975 1.00 0.00 H new ATOM 0 HA LYS A 71 -7.857 0.890 -5.879 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -9.547 0.442 -7.702 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -9.327 -0.909 -6.608 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -11.438 1.097 -5.845 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -11.787 0.091 -7.237 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -10.793 -1.082 -4.597 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -12.498 -0.850 -4.928 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -10.694 -2.346 -6.873 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -11.450 -3.166 -5.521 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -12.862 -3.408 -7.394 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -13.626 -2.298 -6.361 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -12.819 -1.748 -7.749 1.00 0.00 H new ATOM 345 N GLU A 72 -8.810 3.016 -7.074 1.00 0.00 N ATOM 346 CA GLU A 72 -9.108 4.402 -7.434 1.00 0.00 C ATOM 347 C GLU A 72 -10.611 4.603 -7.608 1.00 0.00 C ATOM 348 O GLU A 72 -11.188 4.228 -8.629 1.00 0.00 O ATOM 349 CB GLU A 72 -8.402 4.781 -8.738 1.00 0.00 C ATOM 350 CG GLU A 72 -6.891 4.820 -8.507 1.00 0.00 C ATOM 351 CD GLU A 72 -6.168 4.504 -9.811 1.00 0.00 C ATOM 352 OE1 GLU A 72 -6.655 4.916 -10.851 1.00 0.00 O ATOM 353 OE2 GLU A 72 -5.138 3.853 -9.751 1.00 0.00 O ATOM 0 H GLU A 72 -8.198 2.528 -7.728 1.00 0.00 H new ATOM 0 HA GLU A 72 -8.749 5.040 -6.626 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -8.643 4.058 -9.518 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -8.753 5.753 -9.085 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -6.593 5.803 -8.143 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -6.611 4.098 -7.740 1.00 0.00 H new ATOM 360 N GLY A 73 -11.237 5.202 -6.598 1.00 0.00 N ATOM 361 CA GLY A 73 -12.675 5.451 -6.647 1.00 0.00 C ATOM 362 C GLY A 73 -13.321 5.191 -5.289 1.00 0.00 C ATOM 363 O GLY A 73 -14.321 5.815 -4.932 1.00 0.00 O ATOM 0 H GLY A 73 -10.778 5.521 -5.745 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -12.859 6.482 -6.950 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -13.133 4.810 -7.400 1.00 0.00 H new ATOM 367 N ASP A 74 -12.742 4.260 -4.534 1.00 0.00 N ATOM 368 CA ASP A 74 -13.273 3.923 -3.216 1.00 0.00 C ATOM 369 C ASP A 74 -12.584 4.748 -2.133 1.00 0.00 C ATOM 370 O ASP A 74 -11.426 5.142 -2.272 1.00 0.00 O ATOM 371 CB ASP A 74 -13.062 2.438 -2.917 1.00 0.00 C ATOM 372 CG ASP A 74 -14.076 1.612 -3.702 1.00 0.00 C ATOM 373 OD1 ASP A 74 -14.156 1.797 -4.906 1.00 0.00 O ATOM 374 OD2 ASP A 74 -14.757 0.807 -3.089 1.00 0.00 O ATOM 0 H ASP A 74 -11.914 3.731 -4.808 1.00 0.00 H new ATOM 0 HA ASP A 74 -14.340 4.146 -3.219 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -12.048 2.142 -3.188 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -13.174 2.252 -1.849 1.00 0.00 H new ATOM 379 N THR A 75 -13.313 5.004 -1.050 1.00 0.00 N ATOM 380 CA THR A 75 -12.767 5.783 0.059 1.00 0.00 C ATOM 381 C THR A 75 -12.221 4.855 1.139 1.00 0.00 C ATOM 382 O THR A 75 -12.731 3.753 1.347 1.00 0.00 O ATOM 383 CB THR A 75 -13.848 6.679 0.668 1.00 0.00 C ATOM 384 OG1 THR A 75 -14.567 7.325 -0.373 1.00 0.00 O ATOM 385 CG2 THR A 75 -13.196 7.728 1.569 1.00 0.00 C ATOM 0 H THR A 75 -14.273 4.688 -0.916 1.00 0.00 H new ATOM 0 HA THR A 75 -11.960 6.405 -0.329 1.00 0.00 H new ATOM 0 HB THR A 75 -14.533 6.072 1.260 1.00 0.00 H new ATOM 0 HG1 THR A 75 -15.261 7.898 0.015 1.00 0.00 H new ATOM 0 HG21 THR A 75 -13.967 8.365 2.002 1.00 0.00 H new ATOM 0 HG22 THR A 75 -12.646 7.230 2.368 1.00 0.00 H new ATOM 0 HG23 THR A 75 -12.510 8.337 0.981 1.00 0.00 H new ATOM 393 N VAL A 76 -11.178 5.312 1.825 1.00 0.00 N ATOM 394 CA VAL A 76 -10.566 4.514 2.885 1.00 0.00 C ATOM 395 C VAL A 76 -10.654 5.243 4.221 1.00 0.00 C ATOM 396 O VAL A 76 -10.949 6.437 4.276 1.00 0.00 O ATOM 397 CB VAL A 76 -9.096 4.233 2.565 1.00 0.00 C ATOM 398 CG1 VAL A 76 -9.004 3.358 1.314 1.00 0.00 C ATOM 399 CG2 VAL A 76 -8.365 5.555 2.316 1.00 0.00 C ATOM 0 H VAL A 76 -10.742 6.221 1.669 1.00 0.00 H new ATOM 0 HA VAL A 76 -11.109 3.571 2.950 1.00 0.00 H new ATOM 0 HB VAL A 76 -8.635 3.715 3.406 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -7.957 3.158 1.086 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -9.524 2.416 1.490 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -9.466 3.876 0.473 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -7.318 5.355 2.088 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -8.827 6.073 1.475 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -8.429 6.180 3.207 1.00 0.00 H new ATOM 409 N LYS A 77 -10.392 4.509 5.298 1.00 0.00 N ATOM 410 CA LYS A 77 -10.441 5.093 6.635 1.00 0.00 C ATOM 411 C LYS A 77 -9.156 4.780 7.395 1.00 0.00 C ATOM 412 O LYS A 77 -8.541 3.732 7.200 1.00 0.00 O ATOM 413 CB LYS A 77 -11.633 4.540 7.419 1.00 0.00 C ATOM 414 CG LYS A 77 -12.931 5.114 6.845 1.00 0.00 C ATOM 415 CD LYS A 77 -13.172 6.510 7.423 1.00 0.00 C ATOM 416 CE LYS A 77 -14.635 6.905 7.211 1.00 0.00 C ATOM 417 NZ LYS A 77 -14.889 7.309 5.799 1.00 0.00 N ATOM 0 H LYS A 77 -10.146 3.519 5.273 1.00 0.00 H new ATOM 0 HA LYS A 77 -10.549 6.172 6.529 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -11.647 3.452 7.361 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -11.542 4.802 8.473 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -12.869 5.165 5.758 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -13.768 4.459 7.086 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -12.932 6.521 8.486 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -12.515 7.234 6.940 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -15.281 6.068 7.474 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -14.892 7.728 7.878 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -15.889 7.571 5.687 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -14.289 8.123 5.558 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -14.666 6.515 5.165 1.00 0.00 H new ATOM 431 N ALA A 78 -8.756 5.706 8.263 1.00 0.00 N ATOM 432 CA ALA A 78 -7.538 5.525 9.051 1.00 0.00 C ATOM 433 C ALA A 78 -7.635 4.272 9.918 1.00 0.00 C ATOM 434 O ALA A 78 -8.094 4.322 11.059 1.00 0.00 O ATOM 435 CB ALA A 78 -7.302 6.737 9.954 1.00 0.00 C ATOM 0 H ALA A 78 -9.251 6.581 8.438 1.00 0.00 H new ATOM 0 HA ALA A 78 -6.705 5.418 8.356 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -6.391 6.587 10.534 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -7.198 7.633 9.341 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -8.148 6.857 10.631 1.00 0.00 H new ATOM 441 N GLY A 79 -7.193 3.147 9.361 1.00 0.00 N ATOM 442 CA GLY A 79 -7.230 1.882 10.093 1.00 0.00 C ATOM 443 C GLY A 79 -7.725 0.750 9.199 1.00 0.00 C ATOM 444 O GLY A 79 -7.329 -0.405 9.360 1.00 0.00 O ATOM 0 H GLY A 79 -6.810 3.084 8.418 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -6.234 1.645 10.469 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -7.883 1.978 10.960 1.00 0.00 H new ATOM 448 N GLN A 80 -8.598 1.092 8.256 1.00 0.00 N ATOM 449 CA GLN A 80 -9.148 0.094 7.341 1.00 0.00 C ATOM 450 C GLN A 80 -8.047 -0.501 6.468 1.00 0.00 C ATOM 451 O GLN A 80 -7.140 0.200 6.021 1.00 0.00 O ATOM 452 CB GLN A 80 -10.209 0.725 6.438 1.00 0.00 C ATOM 453 CG GLN A 80 -11.029 -0.377 5.765 1.00 0.00 C ATOM 454 CD GLN A 80 -11.524 0.113 4.409 1.00 0.00 C ATOM 455 OE1 GLN A 80 -10.893 -0.141 3.382 1.00 0.00 O ATOM 456 NE2 GLN A 80 -12.627 0.805 4.342 1.00 0.00 N ATOM 0 H GLN A 80 -8.938 2.042 8.105 1.00 0.00 H new ATOM 0 HA GLN A 80 -9.600 -0.695 7.941 1.00 0.00 H new ATOM 0 HB2 GLN A 80 -10.862 1.372 7.024 1.00 0.00 H new ATOM 0 HB3 GLN A 80 -9.733 1.351 5.683 1.00 0.00 H new ATOM 0 HG2 GLN A 80 -10.421 -1.273 5.640 1.00 0.00 H new ATOM 0 HG3 GLN A 80 -11.875 -0.652 6.395 1.00 0.00 H new ATOM 0 HE21 GLN A 80 -13.150 1.015 5.192 1.00 0.00 H new ATOM 0 HE22 GLN A 80 -12.967 1.136 3.439 1.00 0.00 H new ATOM 465 N THR A 81 -8.142 -1.807 6.228 1.00 0.00 N ATOM 466 CA THR A 81 -7.153 -2.497 5.402 1.00 0.00 C ATOM 467 C THR A 81 -7.229 -1.994 3.964 1.00 0.00 C ATOM 468 O THR A 81 -8.315 -1.804 3.415 1.00 0.00 O ATOM 469 CB THR A 81 -7.399 -4.007 5.418 1.00 0.00 C ATOM 470 OG1 THR A 81 -7.660 -4.426 6.751 1.00 0.00 O ATOM 471 CG2 THR A 81 -6.163 -4.733 4.885 1.00 0.00 C ATOM 0 H THR A 81 -8.886 -2.404 6.589 1.00 0.00 H new ATOM 0 HA THR A 81 -6.164 -2.291 5.811 1.00 0.00 H new ATOM 0 HB THR A 81 -8.255 -4.244 4.787 1.00 0.00 H new ATOM 0 HG1 THR A 81 -7.179 -3.845 7.377 1.00 0.00 H new ATOM 0 HG21 THR A 81 -6.339 -5.809 4.897 1.00 0.00 H new ATOM 0 HG22 THR A 81 -5.963 -4.409 3.864 1.00 0.00 H new ATOM 0 HG23 THR A 81 -5.304 -4.499 5.514 1.00 0.00 H new ATOM 479 N VAL A 82 -6.064 -1.769 3.364 1.00 0.00 N ATOM 480 CA VAL A 82 -6.015 -1.271 1.990 1.00 0.00 C ATOM 481 C VAL A 82 -5.242 -2.221 1.072 1.00 0.00 C ATOM 482 O VAL A 82 -5.541 -2.324 -0.118 1.00 0.00 O ATOM 483 CB VAL A 82 -5.347 0.103 1.948 1.00 0.00 C ATOM 484 CG1 VAL A 82 -6.216 1.116 2.696 1.00 0.00 C ATOM 485 CG2 VAL A 82 -3.972 0.021 2.615 1.00 0.00 C ATOM 0 H VAL A 82 -5.153 -1.920 3.798 1.00 0.00 H new ATOM 0 HA VAL A 82 -7.044 -1.201 1.636 1.00 0.00 H new ATOM 0 HB VAL A 82 -5.231 0.419 0.911 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -5.740 2.096 2.666 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -7.196 1.174 2.223 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -6.332 0.800 3.733 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -3.494 1.000 2.586 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -4.089 -0.295 3.652 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -3.352 -0.701 2.083 1.00 0.00 H new ATOM 495 N LEU A 83 -4.237 -2.900 1.622 1.00 0.00 N ATOM 496 CA LEU A 83 -3.431 -3.816 0.817 1.00 0.00 C ATOM 497 C LEU A 83 -2.718 -4.836 1.705 1.00 0.00 C ATOM 498 O LEU A 83 -2.406 -4.562 2.861 1.00 0.00 O ATOM 499 CB LEU A 83 -2.389 -3.018 0.020 1.00 0.00 C ATOM 500 CG LEU A 83 -1.304 -3.837 -0.692 1.00 0.00 C ATOM 501 CD1 LEU A 83 -1.887 -4.475 -1.954 1.00 0.00 C ATOM 502 CD2 LEU A 83 -0.142 -2.914 -1.073 1.00 0.00 C ATOM 0 H LEU A 83 -3.965 -2.836 2.603 1.00 0.00 H new ATOM 0 HA LEU A 83 -4.092 -4.350 0.135 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -2.913 -2.422 -0.727 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -1.900 -2.320 0.699 1.00 0.00 H new ATOM 0 HG LEU A 83 -0.944 -4.622 -0.027 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -1.115 -5.056 -2.458 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -2.714 -5.130 -1.682 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -2.248 -3.694 -2.623 1.00 0.00 H new ATOM 0 HD21 LEU A 83 0.631 -3.492 -1.579 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -0.503 -2.130 -1.739 1.00 0.00 H new ATOM 0 HD23 LEU A 83 0.274 -2.462 -0.173 1.00 0.00 H new ATOM 514 N VAL A 84 -2.455 -6.014 1.139 1.00 0.00 N ATOM 515 CA VAL A 84 -1.764 -7.069 1.878 1.00 0.00 C ATOM 516 C VAL A 84 -0.397 -7.328 1.251 1.00 0.00 C ATOM 517 O VAL A 84 -0.236 -7.253 0.033 1.00 0.00 O ATOM 518 CB VAL A 84 -2.580 -8.362 1.861 1.00 0.00 C ATOM 519 CG1 VAL A 84 -1.927 -9.395 2.781 1.00 0.00 C ATOM 520 CG2 VAL A 84 -4.001 -8.074 2.351 1.00 0.00 C ATOM 0 H VAL A 84 -2.707 -6.260 0.182 1.00 0.00 H new ATOM 0 HA VAL A 84 -1.641 -6.742 2.911 1.00 0.00 H new ATOM 0 HB VAL A 84 -2.615 -8.753 0.844 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -2.511 -10.315 2.767 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -0.914 -9.602 2.435 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -1.890 -9.005 3.798 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -4.584 -8.995 2.339 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -3.963 -7.682 3.367 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -4.470 -7.340 1.696 1.00 0.00 H new ATOM 530 N LEU A 85 0.590 -7.629 2.092 1.00 0.00 N ATOM 531 CA LEU A 85 1.941 -7.888 1.599 1.00 0.00 C ATOM 532 C LEU A 85 2.399 -9.291 1.986 1.00 0.00 C ATOM 533 O LEU A 85 1.874 -9.898 2.921 1.00 0.00 O ATOM 534 CB LEU A 85 2.924 -6.865 2.169 1.00 0.00 C ATOM 535 CG LEU A 85 3.032 -5.552 1.388 1.00 0.00 C ATOM 536 CD1 LEU A 85 3.816 -4.529 2.213 1.00 0.00 C ATOM 537 CD2 LEU A 85 3.760 -5.806 0.066 1.00 0.00 C ATOM 0 H LEU A 85 0.483 -7.699 3.104 1.00 0.00 H new ATOM 0 HA LEU A 85 1.920 -7.805 0.512 1.00 0.00 H new ATOM 0 HB2 LEU A 85 2.630 -6.636 3.193 1.00 0.00 H new ATOM 0 HB3 LEU A 85 3.912 -7.323 2.216 1.00 0.00 H new ATOM 0 HG LEU A 85 2.033 -5.166 1.186 1.00 0.00 H new ATOM 0 HD11 LEU A 85 3.893 -3.595 1.657 1.00 0.00 H new ATOM 0 HD12 LEU A 85 3.299 -4.349 3.156 1.00 0.00 H new ATOM 0 HD13 LEU A 85 4.816 -4.914 2.415 1.00 0.00 H new ATOM 0 HD21 LEU A 85 3.838 -4.873 -0.492 1.00 0.00 H new ATOM 0 HD22 LEU A 85 4.759 -6.192 0.269 1.00 0.00 H new ATOM 0 HD23 LEU A 85 3.202 -6.535 -0.522 1.00 0.00 H new ATOM 549 N GLU A 86 3.386 -9.798 1.251 1.00 0.00 N ATOM 550 CA GLU A 86 3.916 -11.133 1.516 1.00 0.00 C ATOM 551 C GLU A 86 5.442 -11.119 1.466 1.00 0.00 C ATOM 552 O GLU A 86 6.041 -10.944 0.405 1.00 0.00 O ATOM 553 CB GLU A 86 3.394 -12.129 0.480 1.00 0.00 C ATOM 554 CG GLU A 86 2.097 -12.763 0.984 1.00 0.00 C ATOM 555 CD GLU A 86 1.739 -13.958 0.108 1.00 0.00 C ATOM 556 OE1 GLU A 86 2.493 -14.917 0.112 1.00 0.00 O ATOM 557 OE2 GLU A 86 0.717 -13.897 -0.555 1.00 0.00 O ATOM 0 H GLU A 86 3.832 -9.310 0.474 1.00 0.00 H new ATOM 0 HA GLU A 86 3.587 -11.436 2.510 1.00 0.00 H new ATOM 0 HB2 GLU A 86 3.218 -11.623 -0.469 1.00 0.00 H new ATOM 0 HB3 GLU A 86 4.140 -12.902 0.296 1.00 0.00 H new ATOM 0 HG2 GLU A 86 2.214 -13.081 2.020 1.00 0.00 H new ATOM 0 HG3 GLU A 86 1.290 -12.030 0.965 1.00 0.00 H new ATOM 564 N ALA A 87 6.064 -11.307 2.627 1.00 0.00 N ATOM 565 CA ALA A 87 7.522 -11.316 2.707 1.00 0.00 C ATOM 566 C ALA A 87 7.993 -12.289 3.783 1.00 0.00 C ATOM 567 O ALA A 87 7.414 -12.367 4.867 1.00 0.00 O ATOM 568 CB ALA A 87 8.049 -9.917 3.036 1.00 0.00 C ATOM 0 H ALA A 87 5.587 -11.454 3.517 1.00 0.00 H new ATOM 0 HA ALA A 87 7.909 -11.632 1.738 1.00 0.00 H new ATOM 0 HB1 ALA A 87 9.137 -9.942 3.092 1.00 0.00 H new ATOM 0 HB2 ALA A 87 7.742 -9.220 2.257 1.00 0.00 H new ATOM 0 HB3 ALA A 87 7.644 -9.592 3.994 1.00 0.00 H new ATOM 574 N MET A 88 9.053 -13.031 3.470 1.00 0.00 N ATOM 575 CA MET A 88 9.602 -14.001 4.415 1.00 0.00 C ATOM 576 C MET A 88 8.557 -15.059 4.765 1.00 0.00 C ATOM 577 O MET A 88 8.527 -15.578 5.880 1.00 0.00 O ATOM 578 CB MET A 88 10.056 -13.305 5.700 1.00 0.00 C ATOM 579 CG MET A 88 11.045 -12.189 5.354 1.00 0.00 C ATOM 580 SD MET A 88 12.690 -12.899 5.100 1.00 0.00 S ATOM 581 CE MET A 88 13.606 -11.339 5.058 1.00 0.00 C ATOM 0 H MET A 88 9.545 -12.981 2.578 1.00 0.00 H new ATOM 0 HA MET A 88 10.459 -14.480 3.941 1.00 0.00 H new ATOM 0 HB2 MET A 88 9.195 -12.892 6.226 1.00 0.00 H new ATOM 0 HB3 MET A 88 10.524 -14.026 6.371 1.00 0.00 H new ATOM 0 HG2 MET A 88 10.720 -11.666 4.454 1.00 0.00 H new ATOM 0 HG3 MET A 88 11.075 -11.453 6.157 1.00 0.00 H new ATOM 0 HE1 MET A 88 14.666 -11.543 4.907 1.00 0.00 H new ATOM 0 HE2 MET A 88 13.236 -10.721 4.240 1.00 0.00 H new ATOM 0 HE3 MET A 88 13.469 -10.811 6.002 1.00 0.00 H new ATOM 591 N LYS A 89 7.702 -15.371 3.794 1.00 0.00 N ATOM 592 CA LYS A 89 6.654 -16.369 4.002 1.00 0.00 C ATOM 593 C LYS A 89 5.720 -15.937 5.130 1.00 0.00 C ATOM 594 O LYS A 89 5.205 -16.766 5.881 1.00 0.00 O ATOM 595 CB LYS A 89 7.267 -17.727 4.351 1.00 0.00 C ATOM 596 CG LYS A 89 8.298 -18.109 3.287 1.00 0.00 C ATOM 597 CD LYS A 89 8.369 -19.634 3.167 1.00 0.00 C ATOM 598 CE LYS A 89 9.495 -20.018 2.206 1.00 0.00 C ATOM 599 NZ LYS A 89 9.295 -21.389 1.656 1.00 0.00 N ATOM 0 H LYS A 89 7.713 -14.952 2.864 1.00 0.00 H new ATOM 0 HA LYS A 89 6.086 -16.457 3.076 1.00 0.00 H new ATOM 0 HB2 LYS A 89 7.740 -17.683 5.332 1.00 0.00 H new ATOM 0 HB3 LYS A 89 6.487 -18.487 4.407 1.00 0.00 H new ATOM 0 HG2 LYS A 89 8.025 -17.671 2.327 1.00 0.00 H new ATOM 0 HG3 LYS A 89 9.276 -17.709 3.553 1.00 0.00 H new ATOM 0 HD2 LYS A 89 8.545 -20.079 4.146 1.00 0.00 H new ATOM 0 HD3 LYS A 89 7.418 -20.026 2.805 1.00 0.00 H new ATOM 0 HE2 LYS A 89 9.539 -19.299 1.388 1.00 0.00 H new ATOM 0 HE3 LYS A 89 10.452 -19.969 2.726 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 10.075 -21.620 1.008 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 9.278 -22.077 2.436 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 8.393 -21.428 1.140 1.00 0.00 H new ATOM 613 N MET A 90 5.509 -14.628 5.240 1.00 0.00 N ATOM 614 CA MET A 90 4.635 -14.092 6.280 1.00 0.00 C ATOM 615 C MET A 90 3.749 -12.986 5.715 1.00 0.00 C ATOM 616 O MET A 90 4.220 -11.894 5.396 1.00 0.00 O ATOM 617 CB MET A 90 5.463 -13.525 7.435 1.00 0.00 C ATOM 618 CG MET A 90 4.542 -13.195 8.611 1.00 0.00 C ATOM 619 SD MET A 90 5.306 -11.911 9.632 1.00 0.00 S ATOM 620 CE MET A 90 6.574 -12.953 10.395 1.00 0.00 C ATOM 0 H MET A 90 5.926 -13.925 4.629 1.00 0.00 H new ATOM 0 HA MET A 90 4.010 -14.907 6.646 1.00 0.00 H new ATOM 0 HB2 MET A 90 6.219 -14.247 7.743 1.00 0.00 H new ATOM 0 HB3 MET A 90 5.992 -12.629 7.111 1.00 0.00 H new ATOM 0 HG2 MET A 90 3.574 -12.855 8.244 1.00 0.00 H new ATOM 0 HG3 MET A 90 4.361 -14.089 9.207 1.00 0.00 H new ATOM 0 HE1 MET A 90 6.593 -12.775 11.470 1.00 0.00 H new ATOM 0 HE2 MET A 90 6.346 -14.002 10.205 1.00 0.00 H new ATOM 0 HE3 MET A 90 7.548 -12.711 9.970 1.00 0.00 H new ATOM 630 N GLU A 91 2.457 -13.282 5.597 1.00 0.00 N ATOM 631 CA GLU A 91 1.507 -12.308 5.070 1.00 0.00 C ATOM 632 C GLU A 91 1.351 -11.141 6.039 1.00 0.00 C ATOM 633 O GLU A 91 1.076 -11.331 7.224 1.00 0.00 O ATOM 634 CB GLU A 91 0.139 -12.957 4.847 1.00 0.00 C ATOM 635 CG GLU A 91 0.117 -13.644 3.480 1.00 0.00 C ATOM 636 CD GLU A 91 -1.244 -14.294 3.260 1.00 0.00 C ATOM 637 OE1 GLU A 91 -1.438 -15.396 3.749 1.00 0.00 O ATOM 638 OE2 GLU A 91 -2.072 -13.683 2.605 1.00 0.00 O ATOM 0 H GLU A 91 2.048 -14.179 5.856 1.00 0.00 H new ATOM 0 HA GLU A 91 1.893 -11.943 4.118 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -0.063 -13.683 5.634 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -0.646 -12.203 4.900 1.00 0.00 H new ATOM 0 HG2 GLU A 91 0.316 -12.917 2.693 1.00 0.00 H new ATOM 0 HG3 GLU A 91 0.904 -14.396 3.426 1.00 0.00 H new ATOM 645 N THR A 92 1.531 -9.929 5.521 1.00 0.00 N ATOM 646 CA THR A 92 1.408 -8.731 6.347 1.00 0.00 C ATOM 647 C THR A 92 0.364 -7.787 5.762 1.00 0.00 C ATOM 648 O THR A 92 0.545 -7.229 4.680 1.00 0.00 O ATOM 649 CB THR A 92 2.750 -8.000 6.430 1.00 0.00 C ATOM 650 OG1 THR A 92 3.807 -8.946 6.363 1.00 0.00 O ATOM 651 CG2 THR A 92 2.831 -7.233 7.751 1.00 0.00 C ATOM 0 H THR A 92 1.760 -9.751 4.543 1.00 0.00 H new ATOM 0 HA THR A 92 1.100 -9.040 7.346 1.00 0.00 H new ATOM 0 HB THR A 92 2.837 -7.300 5.599 1.00 0.00 H new ATOM 0 HG1 THR A 92 4.579 -8.611 6.866 1.00 0.00 H new ATOM 0 HG21 THR A 92 3.787 -6.712 7.811 1.00 0.00 H new ATOM 0 HG22 THR A 92 2.019 -6.508 7.801 1.00 0.00 H new ATOM 0 HG23 THR A 92 2.746 -7.932 8.583 1.00 0.00 H new ATOM 659 N GLU A 93 -0.735 -7.617 6.491 1.00 0.00 N ATOM 660 CA GLU A 93 -1.810 -6.739 6.037 1.00 0.00 C ATOM 661 C GLU A 93 -1.464 -5.278 6.315 1.00 0.00 C ATOM 662 O GLU A 93 -0.925 -4.940 7.369 1.00 0.00 O ATOM 663 CB GLU A 93 -3.126 -7.085 6.741 1.00 0.00 C ATOM 664 CG GLU A 93 -2.918 -7.086 8.257 1.00 0.00 C ATOM 665 CD GLU A 93 -4.273 -7.020 8.955 1.00 0.00 C ATOM 666 OE1 GLU A 93 -4.802 -5.927 9.075 1.00 0.00 O ATOM 667 OE2 GLU A 93 -4.760 -8.062 9.359 1.00 0.00 O ATOM 0 H GLU A 93 -0.905 -8.070 7.389 1.00 0.00 H new ATOM 0 HA GLU A 93 -1.927 -6.885 4.963 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -3.895 -6.361 6.471 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -3.479 -8.063 6.412 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -2.383 -7.986 8.561 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -2.303 -6.235 8.551 1.00 0.00 H new ATOM 674 N ILE A 94 -1.786 -4.418 5.354 1.00 0.00 N ATOM 675 CA ILE A 94 -1.513 -2.992 5.492 1.00 0.00 C ATOM 676 C ILE A 94 -2.828 -2.228 5.656 1.00 0.00 C ATOM 677 O ILE A 94 -3.889 -2.693 5.238 1.00 0.00 O ATOM 678 CB ILE A 94 -0.750 -2.468 4.262 1.00 0.00 C ATOM 679 CG1 ILE A 94 0.606 -3.172 4.175 1.00 0.00 C ATOM 680 CG2 ILE A 94 -0.513 -0.956 4.384 1.00 0.00 C ATOM 681 CD1 ILE A 94 0.471 -4.438 3.331 1.00 0.00 C ATOM 0 H ILE A 94 -2.234 -4.682 4.476 1.00 0.00 H new ATOM 0 HA ILE A 94 -0.894 -2.837 6.376 1.00 0.00 H new ATOM 0 HB ILE A 94 -1.342 -2.668 3.369 1.00 0.00 H new ATOM 0 HG12 ILE A 94 1.346 -2.505 3.733 1.00 0.00 H new ATOM 0 HG13 ILE A 94 0.961 -3.425 5.174 1.00 0.00 H new ATOM 0 HG21 ILE A 94 0.028 -0.600 3.507 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -1.472 -0.442 4.453 1.00 0.00 H new ATOM 0 HG23 ILE A 94 0.074 -0.751 5.279 1.00 0.00 H new ATOM 0 HD11 ILE A 94 1.437 -4.939 3.269 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -0.256 -5.107 3.792 1.00 0.00 H new ATOM 0 HD13 ILE A 94 0.135 -4.173 2.328 1.00 0.00 H new ATOM 693 N ASN A 95 -2.745 -1.052 6.271 1.00 0.00 N ATOM 694 CA ASN A 95 -3.933 -0.231 6.488 1.00 0.00 C ATOM 695 C ASN A 95 -3.619 1.241 6.240 1.00 0.00 C ATOM 696 O ASN A 95 -2.482 1.683 6.400 1.00 0.00 O ATOM 697 CB ASN A 95 -4.444 -0.397 7.921 1.00 0.00 C ATOM 698 CG ASN A 95 -4.769 -1.863 8.178 1.00 0.00 C ATOM 699 OD1 ASN A 95 -5.928 -2.271 8.111 1.00 0.00 O ATOM 700 ND2 ASN A 95 -3.803 -2.690 8.474 1.00 0.00 N ATOM 0 H ASN A 95 -1.877 -0.649 6.625 1.00 0.00 H new ATOM 0 HA ASN A 95 -4.701 -0.561 5.788 1.00 0.00 H new ATOM 0 HB2 ASN A 95 -3.691 -0.051 8.629 1.00 0.00 H new ATOM 0 HB3 ASN A 95 -5.332 0.216 8.075 1.00 0.00 H new ATOM 0 HD21 ASN A 95 -4.009 -3.673 8.649 1.00 0.00 H new ATOM 0 HD22 ASN A 95 -2.842 -2.353 8.530 1.00 0.00 H new ATOM 707 N ALA A 96 -4.643 1.992 5.849 1.00 0.00 N ATOM 708 CA ALA A 96 -4.473 3.417 5.579 1.00 0.00 C ATOM 709 C ALA A 96 -4.031 4.150 6.850 1.00 0.00 C ATOM 710 O ALA A 96 -4.523 3.859 7.941 1.00 0.00 O ATOM 711 CB ALA A 96 -5.786 4.024 5.081 1.00 0.00 C ATOM 0 H ALA A 96 -5.592 1.643 5.713 1.00 0.00 H new ATOM 0 HA ALA A 96 -3.708 3.529 4.811 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -5.644 5.087 4.884 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -6.094 3.523 4.163 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -6.557 3.896 5.840 1.00 0.00 H new ATOM 717 N PRO A 97 -3.100 5.110 6.730 1.00 0.00 N ATOM 718 CA PRO A 97 -2.609 5.872 7.888 1.00 0.00 C ATOM 719 C PRO A 97 -3.634 6.888 8.385 1.00 0.00 C ATOM 720 O PRO A 97 -3.751 7.139 9.585 1.00 0.00 O ATOM 721 CB PRO A 97 -1.365 6.582 7.361 1.00 0.00 C ATOM 722 CG PRO A 97 -1.573 6.694 5.889 1.00 0.00 C ATOM 723 CD PRO A 97 -2.445 5.541 5.481 1.00 0.00 C ATOM 0 HA PRO A 97 -2.408 5.224 8.741 1.00 0.00 H new ATOM 0 HB2 PRO A 97 -1.249 7.565 7.818 1.00 0.00 H new ATOM 0 HB3 PRO A 97 -0.462 6.016 7.589 1.00 0.00 H new ATOM 0 HG2 PRO A 97 -2.046 7.643 5.637 1.00 0.00 H new ATOM 0 HG3 PRO A 97 -0.620 6.663 5.361 1.00 0.00 H new ATOM 0 HD2 PRO A 97 -3.178 5.843 4.733 1.00 0.00 H new ATOM 0 HD3 PRO A 97 -1.857 4.735 5.043 1.00 0.00 H new ATOM 731 N THR A 98 -4.373 7.469 7.445 1.00 0.00 N ATOM 732 CA THR A 98 -5.390 8.458 7.789 1.00 0.00 C ATOM 733 C THR A 98 -6.585 8.338 6.850 1.00 0.00 C ATOM 734 O THR A 98 -6.496 7.731 5.783 1.00 0.00 O ATOM 735 CB THR A 98 -4.817 9.874 7.687 1.00 0.00 C ATOM 736 OG1 THR A 98 -4.166 10.029 6.435 1.00 0.00 O ATOM 737 CG2 THR A 98 -3.814 10.105 8.818 1.00 0.00 C ATOM 0 H THR A 98 -4.289 7.275 6.447 1.00 0.00 H new ATOM 0 HA THR A 98 -5.710 8.270 8.814 1.00 0.00 H new ATOM 0 HB THR A 98 -5.626 10.600 7.770 1.00 0.00 H new ATOM 0 HG1 THR A 98 -3.800 10.935 6.367 1.00 0.00 H new ATOM 0 HG21 THR A 98 -3.407 11.114 8.743 1.00 0.00 H new ATOM 0 HG22 THR A 98 -4.315 9.986 9.779 1.00 0.00 H new ATOM 0 HG23 THR A 98 -3.004 9.380 8.739 1.00 0.00 H new ATOM 745 N ASP A 99 -7.706 8.926 7.257 1.00 0.00 N ATOM 746 CA ASP A 99 -8.916 8.882 6.442 1.00 0.00 C ATOM 747 C ASP A 99 -8.705 9.644 5.139 1.00 0.00 C ATOM 748 O ASP A 99 -8.068 10.697 5.114 1.00 0.00 O ATOM 749 CB ASP A 99 -10.100 9.498 7.193 1.00 0.00 C ATOM 750 CG ASP A 99 -9.717 10.883 7.702 1.00 0.00 C ATOM 751 OD1 ASP A 99 -9.218 10.969 8.811 1.00 0.00 O ATOM 752 OD2 ASP A 99 -9.932 11.839 6.975 1.00 0.00 O ATOM 0 H ASP A 99 -7.802 9.433 8.137 1.00 0.00 H new ATOM 0 HA ASP A 99 -9.134 7.836 6.225 1.00 0.00 H new ATOM 0 HB2 ASP A 99 -10.965 9.568 6.534 1.00 0.00 H new ATOM 0 HB3 ASP A 99 -10.386 8.859 8.028 1.00 0.00 H new ATOM 757 N GLY A 100 -9.248 9.098 4.055 1.00 0.00 N ATOM 758 CA GLY A 100 -9.114 9.732 2.746 1.00 0.00 C ATOM 759 C GLY A 100 -9.677 8.836 1.650 1.00 0.00 C ATOM 760 O GLY A 100 -10.479 7.939 1.909 1.00 0.00 O ATOM 0 H GLY A 100 -9.780 8.227 4.055 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -9.637 10.688 2.745 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -8.064 9.943 2.545 1.00 0.00 H new ATOM 764 N LYS A 101 -9.247 9.092 0.417 1.00 0.00 N ATOM 765 CA LYS A 101 -9.713 8.306 -0.721 1.00 0.00 C ATOM 766 C LYS A 101 -8.542 7.932 -1.625 1.00 0.00 C ATOM 767 O LYS A 101 -7.565 8.671 -1.737 1.00 0.00 O ATOM 768 CB LYS A 101 -10.738 9.100 -1.535 1.00 0.00 C ATOM 769 CG LYS A 101 -11.361 8.196 -2.601 1.00 0.00 C ATOM 770 CD LYS A 101 -12.327 9.013 -3.463 1.00 0.00 C ATOM 771 CE LYS A 101 -13.625 9.247 -2.690 1.00 0.00 C ATOM 772 NZ LYS A 101 -14.303 10.499 -3.132 1.00 0.00 N ATOM 0 H LYS A 101 -8.583 9.830 0.182 1.00 0.00 H new ATOM 0 HA LYS A 101 -10.179 7.399 -0.336 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -11.514 9.492 -0.878 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -10.257 9.957 -2.007 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -10.580 7.760 -3.224 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -11.890 7.369 -2.128 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -11.874 9.967 -3.731 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -12.535 8.486 -4.394 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -14.294 8.399 -2.834 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -13.409 9.305 -1.623 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -15.180 10.629 -2.589 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -13.673 11.310 -2.971 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -14.530 10.432 -4.145 1.00 0.00 H new ATOM 786 N VAL A 102 -8.655 6.773 -2.268 1.00 0.00 N ATOM 787 CA VAL A 102 -7.602 6.304 -3.164 1.00 0.00 C ATOM 788 C VAL A 102 -7.686 7.032 -4.502 1.00 0.00 C ATOM 789 O VAL A 102 -8.617 6.827 -5.280 1.00 0.00 O ATOM 790 CB VAL A 102 -7.733 4.798 -3.403 1.00 0.00 C ATOM 791 CG1 VAL A 102 -6.521 4.294 -4.190 1.00 0.00 C ATOM 792 CG2 VAL A 102 -7.801 4.072 -2.056 1.00 0.00 C ATOM 0 H VAL A 102 -9.456 6.147 -2.187 1.00 0.00 H new ATOM 0 HA VAL A 102 -6.640 6.511 -2.696 1.00 0.00 H new ATOM 0 HB VAL A 102 -8.642 4.601 -3.972 1.00 0.00 H new ATOM 0 HG11 VAL A 102 -6.617 3.221 -4.359 1.00 0.00 H new ATOM 0 HG12 VAL A 102 -6.470 4.809 -5.149 1.00 0.00 H new ATOM 0 HG13 VAL A 102 -5.611 4.492 -3.623 1.00 0.00 H new ATOM 0 HG21 VAL A 102 -7.894 2.999 -2.225 1.00 0.00 H new ATOM 0 HG22 VAL A 102 -6.892 4.272 -1.489 1.00 0.00 H new ATOM 0 HG23 VAL A 102 -8.665 4.427 -1.494 1.00 0.00 H new ATOM 802 N GLU A 103 -6.702 7.889 -4.758 1.00 0.00 N ATOM 803 CA GLU A 103 -6.674 8.647 -6.007 1.00 0.00 C ATOM 804 C GLU A 103 -5.852 7.918 -7.068 1.00 0.00 C ATOM 805 O GLU A 103 -6.085 8.078 -8.266 1.00 0.00 O ATOM 806 CB GLU A 103 -6.076 10.039 -5.779 1.00 0.00 C ATOM 807 CG GLU A 103 -4.716 9.912 -5.093 1.00 0.00 C ATOM 808 CD GLU A 103 -3.871 11.143 -5.406 1.00 0.00 C ATOM 809 OE1 GLU A 103 -4.061 12.150 -4.744 1.00 0.00 O ATOM 810 OE2 GLU A 103 -3.048 11.059 -6.302 1.00 0.00 O ATOM 0 H GLU A 103 -5.922 8.075 -4.127 1.00 0.00 H new ATOM 0 HA GLU A 103 -7.702 8.746 -6.356 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -5.966 10.558 -6.731 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -6.749 10.638 -5.165 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -4.848 9.813 -4.016 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -4.207 9.011 -5.436 1.00 0.00 H new ATOM 817 N LYS A 104 -4.884 7.119 -6.621 1.00 0.00 N ATOM 818 CA LYS A 104 -4.037 6.380 -7.553 1.00 0.00 C ATOM 819 C LYS A 104 -3.418 5.162 -6.869 1.00 0.00 C ATOM 820 O LYS A 104 -2.854 5.263 -5.779 1.00 0.00 O ATOM 821 CB LYS A 104 -2.918 7.282 -8.086 1.00 0.00 C ATOM 822 CG LYS A 104 -2.638 6.943 -9.552 1.00 0.00 C ATOM 823 CD LYS A 104 -2.287 8.223 -10.316 1.00 0.00 C ATOM 824 CE LYS A 104 -0.808 8.556 -10.104 1.00 0.00 C ATOM 825 NZ LYS A 104 -0.576 10.028 -10.103 1.00 0.00 N ATOM 0 H LYS A 104 -4.670 6.969 -5.635 1.00 0.00 H new ATOM 0 HA LYS A 104 -4.661 6.046 -8.382 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -3.206 8.329 -7.993 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -2.014 7.146 -7.492 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -1.817 6.230 -9.621 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -3.511 6.468 -9.999 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -2.493 8.093 -11.378 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -2.910 9.048 -9.970 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -0.470 8.132 -9.158 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -0.213 8.093 -10.891 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 0.436 10.220 -9.957 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -0.876 10.427 -11.015 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -1.125 10.466 -9.336 1.00 0.00 H new ATOM 839 N VAL A 105 -3.531 4.011 -7.527 1.00 0.00 N ATOM 840 CA VAL A 105 -2.978 2.771 -6.984 1.00 0.00 C ATOM 841 C VAL A 105 -1.656 2.441 -7.670 1.00 0.00 C ATOM 842 O VAL A 105 -1.632 1.957 -8.802 1.00 0.00 O ATOM 843 CB VAL A 105 -3.962 1.612 -7.192 1.00 0.00 C ATOM 844 CG1 VAL A 105 -3.422 0.338 -6.527 1.00 0.00 C ATOM 845 CG2 VAL A 105 -5.316 1.974 -6.574 1.00 0.00 C ATOM 0 H VAL A 105 -3.996 3.910 -8.429 1.00 0.00 H new ATOM 0 HA VAL A 105 -2.807 2.909 -5.916 1.00 0.00 H new ATOM 0 HB VAL A 105 -4.082 1.434 -8.261 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -4.127 -0.479 -6.680 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -2.461 0.076 -6.970 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -3.294 0.512 -5.459 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -6.015 1.151 -6.722 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -5.191 2.157 -5.507 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -5.706 2.872 -7.053 1.00 0.00 H new ATOM 855 N LEU A 106 -0.554 2.704 -6.971 1.00 0.00 N ATOM 856 CA LEU A 106 0.769 2.427 -7.524 1.00 0.00 C ATOM 857 C LEU A 106 1.220 0.994 -7.214 1.00 0.00 C ATOM 858 O LEU A 106 2.377 0.642 -7.439 1.00 0.00 O ATOM 859 CB LEU A 106 1.802 3.400 -6.952 1.00 0.00 C ATOM 860 CG LEU A 106 1.540 4.880 -7.235 1.00 0.00 C ATOM 861 CD1 LEU A 106 2.226 5.731 -6.165 1.00 0.00 C ATOM 862 CD2 LEU A 106 2.103 5.242 -8.611 1.00 0.00 C ATOM 0 H LEU A 106 -0.550 3.103 -6.032 1.00 0.00 H new ATOM 0 HA LEU A 106 0.697 2.550 -8.605 1.00 0.00 H new ATOM 0 HB2 LEU A 106 1.851 3.258 -5.872 1.00 0.00 H new ATOM 0 HB3 LEU A 106 2.782 3.139 -7.352 1.00 0.00 H new ATOM 0 HG LEU A 106 0.467 5.070 -7.219 1.00 0.00 H new ATOM 0 HD11 LEU A 106 2.040 6.786 -6.365 1.00 0.00 H new ATOM 0 HD12 LEU A 106 1.828 5.472 -5.184 1.00 0.00 H new ATOM 0 HD13 LEU A 106 3.299 5.542 -6.182 1.00 0.00 H new ATOM 0 HD21 LEU A 106 1.917 6.297 -8.814 1.00 0.00 H new ATOM 0 HD22 LEU A 106 3.176 5.053 -8.626 1.00 0.00 H new ATOM 0 HD23 LEU A 106 1.617 4.634 -9.374 1.00 0.00 H new ATOM 874 N VAL A 107 0.304 0.167 -6.704 1.00 0.00 N ATOM 875 CA VAL A 107 0.644 -1.216 -6.385 1.00 0.00 C ATOM 876 C VAL A 107 -0.290 -2.170 -7.118 1.00 0.00 C ATOM 877 O VAL A 107 -1.502 -1.968 -7.159 1.00 0.00 O ATOM 878 CB VAL A 107 0.534 -1.469 -4.881 1.00 0.00 C ATOM 879 CG1 VAL A 107 1.589 -0.643 -4.145 1.00 0.00 C ATOM 880 CG2 VAL A 107 -0.860 -1.064 -4.395 1.00 0.00 C ATOM 0 H VAL A 107 -0.662 0.428 -6.507 1.00 0.00 H new ATOM 0 HA VAL A 107 1.672 -1.390 -6.703 1.00 0.00 H new ATOM 0 HB VAL A 107 0.696 -2.528 -4.679 1.00 0.00 H new ATOM 0 HG11 VAL A 107 1.510 -0.824 -3.073 1.00 0.00 H new ATOM 0 HG12 VAL A 107 2.582 -0.931 -4.489 1.00 0.00 H new ATOM 0 HG13 VAL A 107 1.428 0.416 -4.347 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -0.938 -1.244 -3.323 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -1.023 -0.005 -4.598 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -1.613 -1.653 -4.918 1.00 0.00 H new ATOM 890 N LYS A 108 0.291 -3.214 -7.696 1.00 0.00 N ATOM 891 CA LYS A 108 -0.497 -4.198 -8.429 1.00 0.00 C ATOM 892 C LYS A 108 -0.266 -5.592 -7.857 1.00 0.00 C ATOM 893 O LYS A 108 0.789 -5.878 -7.290 1.00 0.00 O ATOM 894 CB LYS A 108 -0.110 -4.196 -9.910 1.00 0.00 C ATOM 895 CG LYS A 108 -1.254 -4.781 -10.741 1.00 0.00 C ATOM 896 CD LYS A 108 -0.796 -4.949 -12.192 1.00 0.00 C ATOM 897 CE LYS A 108 -1.997 -4.796 -13.128 1.00 0.00 C ATOM 898 NZ LYS A 108 -2.122 -3.398 -13.630 1.00 0.00 N ATOM 0 H LYS A 108 1.294 -3.401 -7.673 1.00 0.00 H new ATOM 0 HA LYS A 108 -1.549 -3.932 -8.329 1.00 0.00 H new ATOM 0 HB2 LYS A 108 0.108 -3.180 -10.238 1.00 0.00 H new ATOM 0 HB3 LYS A 108 0.798 -4.781 -10.060 1.00 0.00 H new ATOM 0 HG2 LYS A 108 -1.560 -5.744 -10.331 1.00 0.00 H new ATOM 0 HG3 LYS A 108 -2.123 -4.125 -10.696 1.00 0.00 H new ATOM 0 HD2 LYS A 108 -0.037 -4.205 -12.433 1.00 0.00 H new ATOM 0 HD3 LYS A 108 -0.338 -5.928 -12.329 1.00 0.00 H new ATOM 0 HE2 LYS A 108 -1.892 -5.479 -13.971 1.00 0.00 H new ATOM 0 HE3 LYS A 108 -2.909 -5.078 -12.601 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 -2.945 -3.328 -14.261 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 -2.246 -2.750 -12.826 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 -1.261 -3.139 -14.153 1.00 0.00 H new ATOM 912 N GLU A 109 -1.265 -6.458 -8.010 1.00 0.00 N ATOM 913 CA GLU A 109 -1.163 -7.824 -7.504 1.00 0.00 C ATOM 914 C GLU A 109 0.013 -8.551 -8.153 1.00 0.00 C ATOM 915 O GLU A 109 0.340 -8.316 -9.316 1.00 0.00 O ATOM 916 CB GLU A 109 -2.450 -8.599 -7.794 1.00 0.00 C ATOM 917 CG GLU A 109 -3.432 -8.411 -6.635 1.00 0.00 C ATOM 918 CD GLU A 109 -4.580 -9.405 -6.777 1.00 0.00 C ATOM 919 OE1 GLU A 109 -4.302 -10.572 -6.999 1.00 0.00 O ATOM 920 OE2 GLU A 109 -5.719 -8.985 -6.660 1.00 0.00 O ATOM 0 H GLU A 109 -2.146 -6.241 -8.476 1.00 0.00 H new ATOM 0 HA GLU A 109 -1.005 -7.771 -6.427 1.00 0.00 H new ATOM 0 HB2 GLU A 109 -2.897 -8.247 -8.724 1.00 0.00 H new ATOM 0 HB3 GLU A 109 -2.227 -9.658 -7.928 1.00 0.00 H new ATOM 0 HG2 GLU A 109 -2.922 -8.561 -5.684 1.00 0.00 H new ATOM 0 HG3 GLU A 109 -3.817 -7.391 -6.632 1.00 0.00 H new ATOM 927 N ARG A 110 0.643 -9.433 -7.382 1.00 0.00 N ATOM 928 CA ARG A 110 1.786 -10.195 -7.883 1.00 0.00 C ATOM 929 C ARG A 110 2.921 -9.256 -8.282 1.00 0.00 C ATOM 930 O ARG A 110 3.661 -9.518 -9.231 1.00 0.00 O ATOM 931 CB ARG A 110 1.383 -11.039 -9.094 1.00 0.00 C ATOM 932 CG ARG A 110 0.336 -12.070 -8.670 1.00 0.00 C ATOM 933 CD ARG A 110 0.533 -13.358 -9.472 1.00 0.00 C ATOM 934 NE ARG A 110 0.075 -13.183 -10.847 1.00 0.00 N ATOM 935 CZ ARG A 110 0.565 -13.931 -11.833 1.00 0.00 C ATOM 936 NH1 ARG A 110 1.733 -13.651 -12.344 1.00 0.00 N ATOM 937 NH2 ARG A 110 -0.121 -14.942 -12.288 1.00 0.00 N ATOM 0 H ARG A 110 0.386 -9.638 -6.416 1.00 0.00 H new ATOM 0 HA ARG A 110 2.125 -10.853 -7.083 1.00 0.00 H new ATOM 0 HB2 ARG A 110 0.982 -10.399 -9.880 1.00 0.00 H new ATOM 0 HB3 ARG A 110 2.257 -11.542 -9.508 1.00 0.00 H new ATOM 0 HG2 ARG A 110 0.425 -12.276 -7.603 1.00 0.00 H new ATOM 0 HG3 ARG A 110 -0.666 -11.675 -8.836 1.00 0.00 H new ATOM 0 HD2 ARG A 110 1.586 -13.638 -9.467 1.00 0.00 H new ATOM 0 HD3 ARG A 110 -0.016 -14.173 -9.001 1.00 0.00 H new ATOM 0 HE ARG A 110 -0.631 -12.477 -11.055 1.00 0.00 H new ATOM 0 HH11 ARG A 110 2.269 -12.860 -11.988 1.00 0.00 H new ATOM 0 HH12 ARG A 110 2.110 -14.223 -13.100 1.00 0.00 H new ATOM 0 HH21 ARG A 110 -1.034 -15.160 -11.888 1.00 0.00 H new ATOM 0 HH22 ARG A 110 0.255 -15.515 -13.044 1.00 0.00 H new ATOM 951 N ASP A 111 3.050 -8.157 -7.544 1.00 0.00 N ATOM 952 CA ASP A 111 4.100 -7.181 -7.822 1.00 0.00 C ATOM 953 C ASP A 111 5.014 -7.026 -6.611 1.00 0.00 C ATOM 954 O ASP A 111 4.586 -7.189 -5.469 1.00 0.00 O ATOM 955 CB ASP A 111 3.492 -5.821 -8.167 1.00 0.00 C ATOM 956 CG ASP A 111 4.450 -5.048 -9.066 1.00 0.00 C ATOM 957 OD1 ASP A 111 5.066 -5.672 -9.915 1.00 0.00 O ATOM 958 OD2 ASP A 111 4.553 -3.845 -8.896 1.00 0.00 O ATOM 0 H ASP A 111 2.447 -7.921 -6.756 1.00 0.00 H new ATOM 0 HA ASP A 111 4.679 -7.542 -8.672 1.00 0.00 H new ATOM 0 HB2 ASP A 111 2.534 -5.956 -8.670 1.00 0.00 H new ATOM 0 HB3 ASP A 111 3.297 -5.256 -7.255 1.00 0.00 H new ATOM 963 N ALA A 112 6.278 -6.710 -6.874 1.00 0.00 N ATOM 964 CA ALA A 112 7.248 -6.535 -5.797 1.00 0.00 C ATOM 965 C ALA A 112 7.310 -5.074 -5.364 1.00 0.00 C ATOM 966 O ALA A 112 7.340 -4.165 -6.194 1.00 0.00 O ATOM 967 CB ALA A 112 8.641 -6.977 -6.253 1.00 0.00 C ATOM 0 H ALA A 112 6.652 -6.571 -7.813 1.00 0.00 H new ATOM 0 HA ALA A 112 6.928 -7.150 -4.956 1.00 0.00 H new ATOM 0 HB1 ALA A 112 9.351 -6.840 -5.438 1.00 0.00 H new ATOM 0 HB2 ALA A 112 8.614 -8.029 -6.537 1.00 0.00 H new ATOM 0 HB3 ALA A 112 8.951 -6.378 -7.109 1.00 0.00 H new ATOM 973 N VAL A 113 7.332 -4.860 -4.051 1.00 0.00 N ATOM 974 CA VAL A 113 7.393 -3.505 -3.510 1.00 0.00 C ATOM 975 C VAL A 113 8.628 -3.343 -2.627 1.00 0.00 C ATOM 976 O VAL A 113 9.410 -4.277 -2.450 1.00 0.00 O ATOM 977 CB VAL A 113 6.141 -3.197 -2.684 1.00 0.00 C ATOM 978 CG1 VAL A 113 4.910 -3.220 -3.592 1.00 0.00 C ATOM 979 CG2 VAL A 113 5.978 -4.250 -1.584 1.00 0.00 C ATOM 0 H VAL A 113 7.309 -5.599 -3.348 1.00 0.00 H new ATOM 0 HA VAL A 113 7.450 -2.810 -4.347 1.00 0.00 H new ATOM 0 HB VAL A 113 6.243 -2.211 -2.231 1.00 0.00 H new ATOM 0 HG11 VAL A 113 4.019 -3.001 -3.003 1.00 0.00 H new ATOM 0 HG12 VAL A 113 5.021 -2.470 -4.375 1.00 0.00 H new ATOM 0 HG13 VAL A 113 4.811 -4.206 -4.046 1.00 0.00 H new ATOM 0 HG21 VAL A 113 5.086 -4.029 -0.998 1.00 0.00 H new ATOM 0 HG22 VAL A 113 5.879 -5.237 -2.037 1.00 0.00 H new ATOM 0 HG23 VAL A 113 6.853 -4.235 -0.934 1.00 0.00 H new ATOM 989 N GLN A 114 8.793 -2.144 -2.074 1.00 0.00 N ATOM 990 CA GLN A 114 9.936 -1.867 -1.210 1.00 0.00 C ATOM 991 C GLN A 114 9.503 -1.040 -0.003 1.00 0.00 C ATOM 992 O GLN A 114 8.623 -0.185 -0.103 1.00 0.00 O ATOM 993 CB GLN A 114 11.015 -1.100 -1.977 1.00 0.00 C ATOM 994 CG GLN A 114 11.516 -1.954 -3.143 1.00 0.00 C ATOM 995 CD GLN A 114 10.650 -1.699 -4.371 1.00 0.00 C ATOM 996 OE1 GLN A 114 10.051 -2.624 -4.919 1.00 0.00 O ATOM 997 NE2 GLN A 114 10.545 -0.486 -4.840 1.00 0.00 N ATOM 0 H GLN A 114 8.158 -1.357 -2.207 1.00 0.00 H new ATOM 0 HA GLN A 114 10.340 -2.821 -0.872 1.00 0.00 H new ATOM 0 HB2 GLN A 114 10.612 -0.158 -2.349 1.00 0.00 H new ATOM 0 HB3 GLN A 114 11.842 -0.852 -1.312 1.00 0.00 H new ATOM 0 HG2 GLN A 114 12.556 -1.714 -3.363 1.00 0.00 H new ATOM 0 HG3 GLN A 114 11.483 -3.010 -2.875 1.00 0.00 H new ATOM 0 HE21 GLN A 114 11.041 0.281 -4.386 1.00 0.00 H new ATOM 0 HE22 GLN A 114 9.967 -0.305 -5.660 1.00 0.00 H new ATOM 1006 N GLY A 115 10.131 -1.305 1.139 1.00 0.00 N ATOM 1007 CA GLY A 115 9.805 -0.579 2.364 1.00 0.00 C ATOM 1008 C GLY A 115 10.064 0.913 2.191 1.00 0.00 C ATOM 1009 O GLY A 115 11.210 1.350 2.079 1.00 0.00 O ATOM 0 H GLY A 115 10.861 -2.010 1.243 1.00 0.00 H new ATOM 0 HA2 GLY A 115 8.759 -0.744 2.623 1.00 0.00 H new ATOM 0 HA3 GLY A 115 10.403 -0.963 3.191 1.00 0.00 H new ATOM 1013 N GLY A 116 8.986 1.691 2.169 1.00 0.00 N ATOM 1014 CA GLY A 116 9.107 3.137 2.006 1.00 0.00 C ATOM 1015 C GLY A 116 8.548 3.581 0.656 1.00 0.00 C ATOM 1016 O GLY A 116 8.070 4.706 0.507 1.00 0.00 O ATOM 0 H GLY A 116 8.029 1.350 2.261 1.00 0.00 H new ATOM 0 HA2 GLY A 116 8.573 3.644 2.810 1.00 0.00 H new ATOM 0 HA3 GLY A 116 10.154 3.430 2.085 1.00 0.00 H new ATOM 1020 N GLN A 117 8.614 2.685 -0.328 1.00 0.00 N ATOM 1021 CA GLN A 117 8.113 2.994 -1.667 1.00 0.00 C ATOM 1022 C GLN A 117 6.627 3.341 -1.617 1.00 0.00 C ATOM 1023 O GLN A 117 5.841 2.673 -0.946 1.00 0.00 O ATOM 1024 CB GLN A 117 8.314 1.800 -2.602 1.00 0.00 C ATOM 1025 CG GLN A 117 8.005 2.216 -4.041 1.00 0.00 C ATOM 1026 CD GLN A 117 7.404 1.036 -4.797 1.00 0.00 C ATOM 1027 OE1 GLN A 117 8.126 0.254 -5.415 1.00 0.00 O ATOM 1028 NE2 GLN A 117 6.112 0.859 -4.785 1.00 0.00 N ATOM 0 H GLN A 117 9.005 1.749 -0.226 1.00 0.00 H new ATOM 0 HA GLN A 117 8.672 3.850 -2.044 1.00 0.00 H new ATOM 0 HB2 GLN A 117 9.340 1.438 -2.530 1.00 0.00 H new ATOM 0 HB3 GLN A 117 7.664 0.978 -2.303 1.00 0.00 H new ATOM 0 HG2 GLN A 117 7.310 3.056 -4.046 1.00 0.00 H new ATOM 0 HG3 GLN A 117 8.916 2.552 -4.536 1.00 0.00 H new ATOM 0 HE21 GLN A 117 5.513 1.507 -4.273 1.00 0.00 H new ATOM 0 HE22 GLN A 117 5.700 0.073 -5.288 1.00 0.00 H new ATOM 1037 N GLY A 118 6.254 4.397 -2.336 1.00 0.00 N ATOM 1038 CA GLY A 118 4.860 4.829 -2.368 1.00 0.00 C ATOM 1039 C GLY A 118 3.968 3.734 -2.940 1.00 0.00 C ATOM 1040 O GLY A 118 4.094 3.353 -4.104 1.00 0.00 O ATOM 0 H GLY A 118 6.889 4.963 -2.898 1.00 0.00 H new ATOM 0 HA2 GLY A 118 4.530 5.084 -1.361 1.00 0.00 H new ATOM 0 HA3 GLY A 118 4.768 5.732 -2.972 1.00 0.00 H new ATOM 1044 N LEU A 119 3.063 3.232 -2.105 1.00 0.00 N ATOM 1045 CA LEU A 119 2.149 2.177 -2.532 1.00 0.00 C ATOM 1046 C LEU A 119 0.887 2.779 -3.142 1.00 0.00 C ATOM 1047 O LEU A 119 0.513 2.459 -4.270 1.00 0.00 O ATOM 1048 CB LEU A 119 1.760 1.295 -1.344 1.00 0.00 C ATOM 1049 CG LEU A 119 2.927 0.635 -0.607 1.00 0.00 C ATOM 1050 CD1 LEU A 119 2.406 -0.073 0.645 1.00 0.00 C ATOM 1051 CD2 LEU A 119 3.599 -0.388 -1.526 1.00 0.00 C ATOM 0 H LEU A 119 2.943 3.535 -1.138 1.00 0.00 H new ATOM 0 HA LEU A 119 2.659 1.571 -3.281 1.00 0.00 H new ATOM 0 HB2 LEU A 119 1.199 1.900 -0.632 1.00 0.00 H new ATOM 0 HB3 LEU A 119 1.088 0.514 -1.698 1.00 0.00 H new ATOM 0 HG LEU A 119 3.651 1.398 -0.320 1.00 0.00 H new ATOM 0 HD11 LEU A 119 3.238 -0.543 1.170 1.00 0.00 H new ATOM 0 HD12 LEU A 119 1.927 0.654 1.301 1.00 0.00 H new ATOM 0 HD13 LEU A 119 1.681 -0.835 0.357 1.00 0.00 H new ATOM 0 HD21 LEU A 119 4.430 -0.858 -1.001 1.00 0.00 H new ATOM 0 HD22 LEU A 119 2.874 -1.150 -1.814 1.00 0.00 H new ATOM 0 HD23 LEU A 119 3.971 0.114 -2.419 1.00 0.00 H new ATOM 1063 N ILE A 120 0.234 3.654 -2.383 1.00 0.00 N ATOM 1064 CA ILE A 120 -0.989 4.296 -2.861 1.00 0.00 C ATOM 1065 C ILE A 120 -1.045 5.747 -2.394 1.00 0.00 C ATOM 1066 O ILE A 120 -0.598 6.079 -1.296 1.00 0.00 O ATOM 1067 CB ILE A 120 -2.226 3.560 -2.339 1.00 0.00 C ATOM 1068 CG1 ILE A 120 -2.107 2.066 -2.657 1.00 0.00 C ATOM 1069 CG2 ILE A 120 -3.480 4.125 -3.013 1.00 0.00 C ATOM 1070 CD1 ILE A 120 -3.276 1.308 -2.019 1.00 0.00 C ATOM 0 H ILE A 120 0.525 3.933 -1.446 1.00 0.00 H new ATOM 0 HA ILE A 120 -0.980 4.261 -3.950 1.00 0.00 H new ATOM 0 HB ILE A 120 -2.299 3.697 -1.260 1.00 0.00 H new ATOM 0 HG12 ILE A 120 -2.107 1.913 -3.736 1.00 0.00 H new ATOM 0 HG13 ILE A 120 -1.161 1.678 -2.280 1.00 0.00 H new ATOM 0 HG21 ILE A 120 -4.360 3.601 -2.641 1.00 0.00 H new ATOM 0 HG22 ILE A 120 -3.568 5.188 -2.786 1.00 0.00 H new ATOM 0 HG23 ILE A 120 -3.406 3.989 -4.092 1.00 0.00 H new ATOM 0 HD11 ILE A 120 -3.189 0.246 -2.247 1.00 0.00 H new ATOM 0 HD12 ILE A 120 -3.255 1.450 -0.939 1.00 0.00 H new ATOM 0 HD13 ILE A 120 -4.217 1.688 -2.417 1.00 0.00 H new ATOM 1082 N LYS A 121 -1.602 6.607 -3.242 1.00 0.00 N ATOM 1083 CA LYS A 121 -1.717 8.023 -2.909 1.00 0.00 C ATOM 1084 C LYS A 121 -3.113 8.334 -2.377 1.00 0.00 C ATOM 1085 O LYS A 121 -4.120 7.983 -2.993 1.00 0.00 O ATOM 1086 CB LYS A 121 -1.448 8.889 -4.142 1.00 0.00 C ATOM 1087 CG LYS A 121 -0.943 10.263 -3.699 1.00 0.00 C ATOM 1088 CD LYS A 121 0.007 10.824 -4.758 1.00 0.00 C ATOM 1089 CE LYS A 121 0.262 12.306 -4.480 1.00 0.00 C ATOM 1090 NZ LYS A 121 0.878 12.982 -5.657 1.00 0.00 N ATOM 0 H LYS A 121 -1.977 6.352 -4.156 1.00 0.00 H new ATOM 0 HA LYS A 121 -0.977 8.248 -2.141 1.00 0.00 H new ATOM 0 HB2 LYS A 121 -0.710 8.408 -4.784 1.00 0.00 H new ATOM 0 HB3 LYS A 121 -2.359 8.997 -4.730 1.00 0.00 H new ATOM 0 HG2 LYS A 121 -1.784 10.941 -3.553 1.00 0.00 H new ATOM 0 HG3 LYS A 121 -0.429 10.182 -2.741 1.00 0.00 H new ATOM 0 HD2 LYS A 121 0.948 10.274 -4.746 1.00 0.00 H new ATOM 0 HD3 LYS A 121 -0.423 10.698 -5.751 1.00 0.00 H new ATOM 0 HE2 LYS A 121 -0.678 12.797 -4.227 1.00 0.00 H new ATOM 0 HE3 LYS A 121 0.918 12.408 -3.615 1.00 0.00 H new ATOM 0 HZ1 LYS A 121 1.038 13.986 -5.436 1.00 0.00 H new ATOM 0 HZ2 LYS A 121 1.786 12.528 -5.882 1.00 0.00 H new ATOM 0 HZ3 LYS A 121 0.240 12.905 -6.475 1.00 0.00 H new ATOM 1104 N ILE A 122 -3.160 8.995 -1.224 1.00 0.00 N ATOM 1105 CA ILE A 122 -4.438 9.347 -0.610 1.00 0.00 C ATOM 1106 C ILE A 122 -4.743 10.828 -0.823 1.00 0.00 C ATOM 1107 O ILE A 122 -3.842 11.667 -0.836 1.00 0.00 O ATOM 1108 CB ILE A 122 -4.409 9.056 0.896 1.00 0.00 C ATOM 1109 CG1 ILE A 122 -3.935 7.612 1.141 1.00 0.00 C ATOM 1110 CG2 ILE A 122 -5.810 9.246 1.487 1.00 0.00 C ATOM 1111 CD1 ILE A 122 -4.882 6.616 0.460 1.00 0.00 C ATOM 0 H ILE A 122 -2.338 9.295 -0.700 1.00 0.00 H new ATOM 0 HA ILE A 122 -5.214 8.744 -1.082 1.00 0.00 H new ATOM 0 HB ILE A 122 -3.718 9.746 1.379 1.00 0.00 H new ATOM 0 HG12 ILE A 122 -2.924 7.484 0.755 1.00 0.00 H new ATOM 0 HG13 ILE A 122 -3.895 7.412 2.212 1.00 0.00 H new ATOM 0 HG21 ILE A 122 -5.785 9.038 2.557 1.00 0.00 H new ATOM 0 HG22 ILE A 122 -6.137 10.273 1.324 1.00 0.00 H new ATOM 0 HG23 ILE A 122 -6.506 8.562 1.001 1.00 0.00 H new ATOM 0 HD11 ILE A 122 -4.533 5.599 0.642 1.00 0.00 H new ATOM 0 HD12 ILE A 122 -5.887 6.733 0.866 1.00 0.00 H new ATOM 0 HD13 ILE A 122 -4.900 6.806 -0.613 1.00 0.00 H new ATOM 1123 N GLY A 123 -6.026 11.136 -0.988 1.00 0.00 N ATOM 1124 CA GLY A 123 -6.446 12.520 -1.198 1.00 0.00 C ATOM 1125 C GLY A 123 -6.093 13.381 0.010 1.00 0.00 C ATOM 1126 O GLY A 123 -6.735 13.221 1.035 1.00 0.00 O ATOM 1127 OXT GLY A 123 -5.185 14.188 -0.108 1.00 0.00 O ATOM 0 H GLY A 123 -6.786 10.456 -0.981 1.00 0.00 H new ATOM 0 HA2 GLY A 123 -5.963 12.920 -2.089 1.00 0.00 H new ATOM 0 HA3 GLY A 123 -7.521 12.556 -1.375 1.00 0.00 H new TER 1131 GLY A 123