USER MOD reduce.3.24.130724 H: found=0, std=0, add=674, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 672 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 2 GLN : amide:sc= 2.07 K(o=3.7,f=-1.2) USER MOD Set 1.2: A 14 THR OG1 : rot -74:sc= 0.166 USER MOD Set 1.3: A 77 LYS NZ :NH3+ -142:sc= 1.07 (180deg=0) USER MOD Set 1.4: A 79 THR OG1 : rot 111:sc= 0.391 USER MOD Set 2.1: A 71 THR OG1 : rot 180:sc=-0.00437 USER MOD Set 2.2: A 73 THR OG1 : rot 180:sc= 0 USER MOD Set 2.3: A 74 HIS : no HE2:sc= -0.0721 K(o=-0.076,f=-1.2) USER MOD Set 3.1: A 54 THR OG1 : rot 180:sc= 0.468 USER MOD Set 3.2: A 57 GLN : amide:sc= 0.144 K(o=0.61,f=-0.16) USER MOD Set 4.1: A 23 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 4.2: A 27 MET CE :methyl -171:sc=-0.00136 (180deg=-0.125) USER MOD Set 5.1: A 9 GLN : amide:sc= 1.8 K(o=2.9,f=-6.1!) USER MOD Set 5.2: A 83 LYS NZ :NH3+ 178:sc= 1.09 (180deg=0) USER MOD Single : A 1 ALA N :NH3+ -115:sc= 0.153 (180deg=0) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0.117 USER MOD Single : A 5 GLN : amide:sc= 0.402 K(o=0.4,f=-0.43) USER MOD Single : A 8 ASN : amide:sc= -0.123 K(o=-0.12,f=-2.5) USER MOD Single : A 15 ASN : amide:sc= 0.666 K(o=0.67,f=-0.32) USER MOD Single : A 20 THR OG1 : rot 86:sc= 1.02 USER MOD Single : A 21 ASN : amide:sc= 0.0129 K(o=0.013,f=-7!) USER MOD Single : A 24 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 26 SER OG : rot 80:sc= 1.23 USER MOD Single : A 30 ASN : amide:sc= -0.215 X(o=-0.21,f=-0.11) USER MOD Single : A 31 GLN : amide:sc= 1.07 K(o=1.1,f=0) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 ASN : amide:sc=-0.00135 X(o=-0.0013,f=-0.34) USER MOD Single : A 45 HIS : no HE2:sc= 0.878 K(o=0.88,f=-3.3!) USER MOD Single : A 53 THR OG1 : rot 77:sc= 0.284 USER MOD Single : A 58 SER OG : rot 139:sc= 1.07 USER MOD Single : A 59 ASN : amide:sc= 0 K(o=0,f=-0.56) USER MOD Single : A 62 LYS NZ :NH3+ -177:sc= 1.35 (180deg=1.29) USER MOD Single : A 66 GLN : amide:sc= 0.713 K(o=0.71,f=-0.19) USER MOD Single : A 69 LYS NZ :NH3+ -162:sc= 1.23 (180deg=0.782) USER MOD Single : A 76 MET CE :methyl 177:sc= -0.258 (180deg=-0.295) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 9.146 -7.832 -2.438 1.00 0.00 N ATOM 2 CA ALA A 1 8.364 -6.936 -1.563 1.00 0.00 C ATOM 3 C ALA A 1 9.105 -5.604 -1.429 1.00 0.00 C ATOM 4 O ALA A 1 10.290 -5.511 -1.768 1.00 0.00 O ATOM 5 CB ALA A 1 8.121 -7.570 -0.179 1.00 0.00 C ATOM 0 H1 ALA A 1 8.608 -8.025 -3.307 1.00 0.00 H new ATOM 0 H2 ALA A 1 10.049 -7.377 -2.683 1.00 0.00 H new ATOM 0 H3 ALA A 1 9.333 -8.726 -1.941 1.00 0.00 H new ATOM 0 HA ALA A 1 7.385 -6.767 -2.012 1.00 0.00 H new ATOM 0 HB1 ALA A 1 7.543 -6.883 0.439 1.00 0.00 H new ATOM 0 HB2 ALA A 1 7.570 -8.503 -0.298 1.00 0.00 H new ATOM 0 HB3 ALA A 1 9.078 -7.772 0.302 1.00 0.00 H new ATOM 13 N GLN A 2 8.440 -4.572 -0.902 1.00 0.00 N ATOM 14 CA GLN A 2 9.066 -3.290 -0.593 1.00 0.00 C ATOM 15 C GLN A 2 8.533 -2.771 0.747 1.00 0.00 C ATOM 16 O GLN A 2 7.920 -1.706 0.827 1.00 0.00 O ATOM 17 CB GLN A 2 8.963 -2.308 -1.776 1.00 0.00 C ATOM 18 CG GLN A 2 7.550 -1.957 -2.277 1.00 0.00 C ATOM 19 CD GLN A 2 7.597 -1.068 -3.519 1.00 0.00 C ATOM 20 OE1 GLN A 2 6.984 -1.375 -4.541 1.00 0.00 O ATOM 21 NE2 GLN A 2 8.311 0.044 -3.481 1.00 0.00 N ATOM 0 H GLN A 2 7.446 -4.606 -0.677 1.00 0.00 H new ATOM 0 HA GLN A 2 10.141 -3.414 -0.459 1.00 0.00 H new ATOM 0 HB2 GLN A 2 9.460 -1.381 -1.490 1.00 0.00 H new ATOM 0 HB3 GLN A 2 9.524 -2.726 -2.612 1.00 0.00 H new ATOM 0 HG2 GLN A 2 7.007 -2.874 -2.506 1.00 0.00 H new ATOM 0 HG3 GLN A 2 6.999 -1.449 -1.486 1.00 0.00 H new ATOM 0 HE21 GLN A 2 8.818 0.296 -2.632 1.00 0.00 H new ATOM 0 HE22 GLN A 2 8.355 0.650 -4.300 1.00 0.00 H new ATOM 30 N THR A 3 8.708 -3.585 1.791 1.00 0.00 N ATOM 31 CA THR A 3 8.315 -3.301 3.166 1.00 0.00 C ATOM 32 C THR A 3 8.754 -1.883 3.556 1.00 0.00 C ATOM 33 O THR A 3 9.899 -1.505 3.299 1.00 0.00 O ATOM 34 CB THR A 3 8.952 -4.366 4.087 1.00 0.00 C ATOM 35 OG1 THR A 3 8.942 -5.639 3.452 1.00 0.00 O ATOM 36 CG2 THR A 3 8.203 -4.480 5.419 1.00 0.00 C ATOM 0 H THR A 3 9.148 -4.500 1.692 1.00 0.00 H new ATOM 0 HA THR A 3 7.231 -3.346 3.270 1.00 0.00 H new ATOM 0 HB THR A 3 9.977 -4.050 4.282 1.00 0.00 H new ATOM 0 HG1 THR A 3 9.350 -6.304 4.045 1.00 0.00 H new ATOM 0 HG21 THR A 3 8.679 -5.238 6.040 1.00 0.00 H new ATOM 0 HG22 THR A 3 8.229 -3.520 5.934 1.00 0.00 H new ATOM 0 HG23 THR A 3 7.167 -4.763 5.231 1.00 0.00 H new ATOM 44 N GLU A 4 7.854 -1.102 4.156 1.00 0.00 N ATOM 45 CA GLU A 4 8.156 0.232 4.669 1.00 0.00 C ATOM 46 C GLU A 4 8.672 0.124 6.107 1.00 0.00 C ATOM 47 O GLU A 4 8.361 -0.824 6.832 1.00 0.00 O ATOM 48 CB GLU A 4 6.893 1.106 4.611 1.00 0.00 C ATOM 49 CG GLU A 4 6.650 1.678 3.207 1.00 0.00 C ATOM 50 CD GLU A 4 7.426 2.982 2.963 1.00 0.00 C ATOM 51 OE1 GLU A 4 8.673 3.008 3.068 1.00 0.00 O ATOM 52 OE2 GLU A 4 6.782 4.009 2.655 1.00 0.00 O ATOM 0 H GLU A 4 6.884 -1.383 4.300 1.00 0.00 H new ATOM 0 HA GLU A 4 8.928 0.695 4.055 1.00 0.00 H new ATOM 0 HB2 GLU A 4 6.029 0.515 4.916 1.00 0.00 H new ATOM 0 HB3 GLU A 4 6.986 1.925 5.324 1.00 0.00 H new ATOM 0 HG2 GLU A 4 6.943 0.939 2.461 1.00 0.00 H new ATOM 0 HG3 GLU A 4 5.584 1.862 3.072 1.00 0.00 H new ATOM 59 N GLN A 5 9.433 1.135 6.523 1.00 0.00 N ATOM 60 CA GLN A 5 10.103 1.248 7.815 1.00 0.00 C ATOM 61 C GLN A 5 9.887 2.682 8.332 1.00 0.00 C ATOM 62 O GLN A 5 9.460 3.544 7.556 1.00 0.00 O ATOM 63 CB GLN A 5 11.615 0.974 7.623 1.00 0.00 C ATOM 64 CG GLN A 5 12.040 -0.503 7.657 1.00 0.00 C ATOM 65 CD GLN A 5 11.556 -1.338 6.470 1.00 0.00 C ATOM 66 OE1 GLN A 5 10.986 -2.412 6.642 1.00 0.00 O ATOM 67 NE2 GLN A 5 11.791 -0.895 5.248 1.00 0.00 N ATOM 0 H GLN A 5 9.608 1.946 5.930 1.00 0.00 H new ATOM 0 HA GLN A 5 9.703 0.529 8.530 1.00 0.00 H new ATOM 0 HB2 GLN A 5 11.923 1.399 6.667 1.00 0.00 H new ATOM 0 HB3 GLN A 5 12.163 1.507 8.400 1.00 0.00 H new ATOM 0 HG2 GLN A 5 13.128 -0.552 7.698 1.00 0.00 H new ATOM 0 HG3 GLN A 5 11.665 -0.953 8.576 1.00 0.00 H new ATOM 0 HE21 GLN A 5 12.265 -0.002 5.112 1.00 0.00 H new ATOM 0 HE22 GLN A 5 11.499 -1.446 4.441 1.00 0.00 H new ATOM 76 N PRO A 6 10.229 2.988 9.598 1.00 0.00 N ATOM 77 CA PRO A 6 10.541 4.361 9.988 1.00 0.00 C ATOM 78 C PRO A 6 11.714 4.899 9.138 1.00 0.00 C ATOM 79 O PRO A 6 12.425 4.103 8.512 1.00 0.00 O ATOM 80 CB PRO A 6 10.870 4.296 11.485 1.00 0.00 C ATOM 81 CG PRO A 6 11.361 2.863 11.685 1.00 0.00 C ATOM 82 CD PRO A 6 10.527 2.065 10.685 1.00 0.00 C ATOM 0 HA PRO A 6 9.715 5.050 9.815 1.00 0.00 H new ATOM 0 HB2 PRO A 6 11.634 5.023 11.759 1.00 0.00 H new ATOM 0 HB3 PRO A 6 9.994 4.508 12.097 1.00 0.00 H new ATOM 0 HG2 PRO A 6 12.428 2.771 11.483 1.00 0.00 H new ATOM 0 HG3 PRO A 6 11.200 2.521 12.707 1.00 0.00 H new ATOM 0 HD2 PRO A 6 11.076 1.196 10.322 1.00 0.00 H new ATOM 0 HD3 PRO A 6 9.612 1.694 11.146 1.00 0.00 H new ATOM 90 N PRO A 7 11.938 6.227 9.096 1.00 0.00 N ATOM 91 CA PRO A 7 12.985 6.839 8.285 1.00 0.00 C ATOM 92 C PRO A 7 14.344 6.141 8.397 1.00 0.00 C ATOM 93 O PRO A 7 14.802 5.811 9.495 1.00 0.00 O ATOM 94 CB PRO A 7 13.039 8.307 8.713 1.00 0.00 C ATOM 95 CG PRO A 7 11.598 8.586 9.129 1.00 0.00 C ATOM 96 CD PRO A 7 11.152 7.262 9.753 1.00 0.00 C ATOM 0 HA PRO A 7 12.746 6.741 7.226 1.00 0.00 H new ATOM 0 HB2 PRO A 7 13.736 8.464 9.536 1.00 0.00 H new ATOM 0 HB3 PRO A 7 13.358 8.956 7.897 1.00 0.00 H new ATOM 0 HG2 PRO A 7 11.537 9.408 9.842 1.00 0.00 H new ATOM 0 HG3 PRO A 7 10.978 8.858 8.275 1.00 0.00 H new ATOM 0 HD2 PRO A 7 11.325 7.260 10.829 1.00 0.00 H new ATOM 0 HD3 PRO A 7 10.085 7.098 9.601 1.00 0.00 H new ATOM 104 N ASN A 8 14.998 5.952 7.249 1.00 0.00 N ATOM 105 CA ASN A 8 16.316 5.340 7.117 1.00 0.00 C ATOM 106 C ASN A 8 17.067 6.085 6.015 1.00 0.00 C ATOM 107 O ASN A 8 16.453 6.553 5.057 1.00 0.00 O ATOM 108 CB ASN A 8 16.196 3.843 6.770 1.00 0.00 C ATOM 109 CG ASN A 8 17.569 3.243 6.486 1.00 0.00 C ATOM 110 OD1 ASN A 8 18.535 3.495 7.199 1.00 0.00 O ATOM 111 ND2 ASN A 8 17.702 2.511 5.399 1.00 0.00 N ATOM 0 H ASN A 8 14.605 6.234 6.351 1.00 0.00 H new ATOM 0 HA ASN A 8 16.856 5.411 8.061 1.00 0.00 H new ATOM 0 HB2 ASN A 8 15.725 3.310 7.596 1.00 0.00 H new ATOM 0 HB3 ASN A 8 15.552 3.717 5.900 1.00 0.00 H new ATOM 0 HD21 ASN A 8 18.618 2.145 5.140 1.00 0.00 H new ATOM 0 HD22 ASN A 8 16.889 2.310 4.817 1.00 0.00 H new ATOM 118 N GLN A 9 18.391 6.195 6.136 1.00 0.00 N ATOM 119 CA GLN A 9 19.265 6.943 5.229 1.00 0.00 C ATOM 120 C GLN A 9 19.463 6.266 3.858 1.00 0.00 C ATOM 121 O GLN A 9 20.321 6.696 3.087 1.00 0.00 O ATOM 122 CB GLN A 9 20.603 7.219 5.938 1.00 0.00 C ATOM 123 CG GLN A 9 21.496 5.974 6.069 1.00 0.00 C ATOM 124 CD GLN A 9 22.779 6.260 6.841 1.00 0.00 C ATOM 125 OE1 GLN A 9 22.990 5.717 7.923 1.00 0.00 O ATOM 126 NE2 GLN A 9 23.658 7.092 6.307 1.00 0.00 N ATOM 0 H GLN A 9 18.904 5.749 6.897 1.00 0.00 H new ATOM 0 HA GLN A 9 18.773 7.887 4.995 1.00 0.00 H new ATOM 0 HB2 GLN A 9 21.145 7.989 5.388 1.00 0.00 H new ATOM 0 HB3 GLN A 9 20.403 7.619 6.932 1.00 0.00 H new ATOM 0 HG2 GLN A 9 20.941 5.183 6.572 1.00 0.00 H new ATOM 0 HG3 GLN A 9 21.748 5.604 5.075 1.00 0.00 H new ATOM 0 HE21 GLN A 9 23.463 7.532 5.408 1.00 0.00 H new ATOM 0 HE22 GLN A 9 24.531 7.294 6.795 1.00 0.00 H new ATOM 135 N ILE A 10 18.729 5.195 3.550 1.00 0.00 N ATOM 136 CA ILE A 10 18.804 4.481 2.280 1.00 0.00 C ATOM 137 C ILE A 10 17.357 4.286 1.840 1.00 0.00 C ATOM 138 O ILE A 10 16.477 4.005 2.661 1.00 0.00 O ATOM 139 CB ILE A 10 19.582 3.140 2.395 1.00 0.00 C ATOM 140 CG1 ILE A 10 20.912 3.301 3.169 1.00 0.00 C ATOM 141 CG2 ILE A 10 19.843 2.536 0.996 1.00 0.00 C ATOM 142 CD1 ILE A 10 21.762 2.028 3.255 1.00 0.00 C ATOM 0 H ILE A 10 18.050 4.792 4.195 1.00 0.00 H new ATOM 0 HA ILE A 10 19.369 5.047 1.539 1.00 0.00 H new ATOM 0 HB ILE A 10 18.954 2.455 2.964 1.00 0.00 H new ATOM 0 HG12 ILE A 10 21.502 4.084 2.692 1.00 0.00 H new ATOM 0 HG13 ILE A 10 20.689 3.642 4.180 1.00 0.00 H new ATOM 0 HG21 ILE A 10 20.389 1.598 1.101 1.00 0.00 H new ATOM 0 HG22 ILE A 10 18.892 2.349 0.497 1.00 0.00 H new ATOM 0 HG23 ILE A 10 20.433 3.235 0.402 1.00 0.00 H new ATOM 0 HD11 ILE A 10 22.674 2.236 3.815 1.00 0.00 H new ATOM 0 HD12 ILE A 10 21.196 1.246 3.761 1.00 0.00 H new ATOM 0 HD13 ILE A 10 22.021 1.695 2.250 1.00 0.00 H new ATOM 154 N LEU A 11 17.116 4.418 0.541 1.00 0.00 N ATOM 155 CA LEU A 11 15.805 4.372 -0.080 1.00 0.00 C ATOM 156 C LEU A 11 15.857 3.312 -1.167 1.00 0.00 C ATOM 157 O LEU A 11 16.863 3.199 -1.869 1.00 0.00 O ATOM 158 CB LEU A 11 15.470 5.739 -0.706 1.00 0.00 C ATOM 159 CG LEU A 11 15.431 6.925 0.276 1.00 0.00 C ATOM 160 CD1 LEU A 11 15.182 8.230 -0.488 1.00 0.00 C ATOM 161 CD2 LEU A 11 14.362 6.720 1.355 1.00 0.00 C ATOM 0 H LEU A 11 17.865 4.567 -0.135 1.00 0.00 H new ATOM 0 HA LEU A 11 15.039 4.136 0.659 1.00 0.00 H new ATOM 0 HB2 LEU A 11 16.206 5.955 -1.480 1.00 0.00 H new ATOM 0 HB3 LEU A 11 14.501 5.666 -1.199 1.00 0.00 H new ATOM 0 HG LEU A 11 16.398 6.985 0.776 1.00 0.00 H new ATOM 0 HD11 LEU A 11 15.156 9.063 0.214 1.00 0.00 H new ATOM 0 HD12 LEU A 11 15.984 8.388 -1.209 1.00 0.00 H new ATOM 0 HD13 LEU A 11 14.229 8.168 -1.013 1.00 0.00 H new ATOM 0 HD21 LEU A 11 14.360 7.574 2.032 1.00 0.00 H new ATOM 0 HD22 LEU A 11 13.383 6.628 0.884 1.00 0.00 H new ATOM 0 HD23 LEU A 11 14.582 5.812 1.917 1.00 0.00 H new ATOM 173 N PHE A 12 14.767 2.567 -1.313 1.00 0.00 N ATOM 174 CA PHE A 12 14.542 1.654 -2.417 1.00 0.00 C ATOM 175 C PHE A 12 13.509 2.329 -3.304 1.00 0.00 C ATOM 176 O PHE A 12 12.521 2.879 -2.809 1.00 0.00 O ATOM 177 CB PHE A 12 14.036 0.301 -1.906 1.00 0.00 C ATOM 178 CG PHE A 12 13.715 -0.688 -3.016 1.00 0.00 C ATOM 179 CD1 PHE A 12 14.725 -1.097 -3.907 1.00 0.00 C ATOM 180 CD2 PHE A 12 12.412 -1.201 -3.171 1.00 0.00 C ATOM 181 CE1 PHE A 12 14.458 -2.051 -4.902 1.00 0.00 C ATOM 182 CE2 PHE A 12 12.151 -2.178 -4.148 1.00 0.00 C ATOM 183 CZ PHE A 12 13.172 -2.606 -5.015 1.00 0.00 C ATOM 0 H PHE A 12 13.996 2.585 -0.645 1.00 0.00 H new ATOM 0 HA PHE A 12 15.461 1.449 -2.966 1.00 0.00 H new ATOM 0 HB2 PHE A 12 14.789 -0.135 -1.249 1.00 0.00 H new ATOM 0 HB3 PHE A 12 13.142 0.461 -1.304 1.00 0.00 H new ATOM 0 HD1 PHE A 12 15.715 -0.673 -3.825 1.00 0.00 H new ATOM 0 HD2 PHE A 12 11.613 -0.843 -2.539 1.00 0.00 H new ATOM 0 HE1 PHE A 12 15.241 -2.358 -5.580 1.00 0.00 H new ATOM 0 HE2 PHE A 12 11.161 -2.602 -4.233 1.00 0.00 H new ATOM 0 HZ PHE A 12 12.969 -3.357 -5.764 1.00 0.00 H new ATOM 193 N LEU A 13 13.751 2.311 -4.606 1.00 0.00 N ATOM 194 CA LEU A 13 13.008 3.067 -5.594 1.00 0.00 C ATOM 195 C LEU A 13 12.485 2.084 -6.623 1.00 0.00 C ATOM 196 O LEU A 13 13.177 1.130 -6.974 1.00 0.00 O ATOM 197 CB LEU A 13 13.925 4.099 -6.266 1.00 0.00 C ATOM 198 CG LEU A 13 13.779 5.517 -5.703 1.00 0.00 C ATOM 199 CD1 LEU A 13 14.370 5.640 -4.295 1.00 0.00 C ATOM 200 CD2 LEU A 13 14.515 6.471 -6.641 1.00 0.00 C ATOM 0 H LEU A 13 14.497 1.749 -5.015 1.00 0.00 H new ATOM 0 HA LEU A 13 12.183 3.604 -5.125 1.00 0.00 H new ATOM 0 HB2 LEU A 13 14.961 3.778 -6.153 1.00 0.00 H new ATOM 0 HB3 LEU A 13 13.712 4.119 -7.335 1.00 0.00 H new ATOM 0 HG LEU A 13 12.719 5.759 -5.634 1.00 0.00 H new ATOM 0 HD11 LEU A 13 14.244 6.661 -3.936 1.00 0.00 H new ATOM 0 HD12 LEU A 13 13.855 4.953 -3.623 1.00 0.00 H new ATOM 0 HD13 LEU A 13 15.431 5.393 -4.323 1.00 0.00 H new ATOM 0 HD21 LEU A 13 14.428 7.490 -6.265 1.00 0.00 H new ATOM 0 HD22 LEU A 13 15.567 6.191 -6.692 1.00 0.00 H new ATOM 0 HD23 LEU A 13 14.076 6.413 -7.637 1.00 0.00 H new ATOM 212 N THR A 14 11.279 2.336 -7.116 1.00 0.00 N ATOM 213 CA THR A 14 10.514 1.420 -7.960 1.00 0.00 C ATOM 214 C THR A 14 9.685 2.209 -8.986 1.00 0.00 C ATOM 215 O THR A 14 9.594 3.439 -8.909 1.00 0.00 O ATOM 216 CB THR A 14 9.628 0.527 -7.060 1.00 0.00 C ATOM 217 OG1 THR A 14 9.085 1.253 -5.970 1.00 0.00 O ATOM 218 CG2 THR A 14 10.388 -0.644 -6.445 1.00 0.00 C ATOM 0 H THR A 14 10.788 3.212 -6.935 1.00 0.00 H new ATOM 0 HA THR A 14 11.189 0.775 -8.523 1.00 0.00 H new ATOM 0 HB THR A 14 8.848 0.162 -7.729 1.00 0.00 H new ATOM 0 HG1 THR A 14 9.787 1.422 -5.307 1.00 0.00 H new ATOM 0 HG21 THR A 14 9.711 -1.232 -5.825 1.00 0.00 H new ATOM 0 HG22 THR A 14 10.792 -1.273 -7.239 1.00 0.00 H new ATOM 0 HG23 THR A 14 11.205 -0.265 -5.831 1.00 0.00 H new ATOM 226 N ASN A 15 9.060 1.499 -9.938 1.00 0.00 N ATOM 227 CA ASN A 15 8.280 2.056 -11.053 1.00 0.00 C ATOM 228 C ASN A 15 9.077 3.080 -11.879 1.00 0.00 C ATOM 229 O ASN A 15 8.525 4.032 -12.435 1.00 0.00 O ATOM 230 CB ASN A 15 6.933 2.601 -10.546 1.00 0.00 C ATOM 231 CG ASN A 15 5.963 2.896 -11.689 1.00 0.00 C ATOM 232 OD1 ASN A 15 5.685 2.035 -12.520 1.00 0.00 O ATOM 233 ND2 ASN A 15 5.400 4.092 -11.739 1.00 0.00 N ATOM 0 H ASN A 15 9.086 0.479 -9.952 1.00 0.00 H new ATOM 0 HA ASN A 15 8.061 1.246 -11.749 1.00 0.00 H new ATOM 0 HB2 ASN A 15 6.482 1.877 -9.867 1.00 0.00 H new ATOM 0 HB3 ASN A 15 7.104 3.512 -9.973 1.00 0.00 H new ATOM 0 HD21 ASN A 15 4.726 4.308 -12.474 1.00 0.00 H new ATOM 0 HD22 ASN A 15 5.640 4.798 -11.043 1.00 0.00 H new ATOM 240 N LEU A 16 10.399 2.911 -11.928 1.00 0.00 N ATOM 241 CA LEU A 16 11.315 3.795 -12.640 1.00 0.00 C ATOM 242 C LEU A 16 11.263 3.471 -14.143 1.00 0.00 C ATOM 243 O LEU A 16 10.748 2.406 -14.506 1.00 0.00 O ATOM 244 CB LEU A 16 12.745 3.608 -12.093 1.00 0.00 C ATOM 245 CG LEU A 16 12.891 3.559 -10.561 1.00 0.00 C ATOM 246 CD1 LEU A 16 14.355 3.300 -10.209 1.00 0.00 C ATOM 247 CD2 LEU A 16 12.403 4.845 -9.885 1.00 0.00 C ATOM 0 H LEU A 16 10.871 2.136 -11.462 1.00 0.00 H new ATOM 0 HA LEU A 16 11.021 4.834 -12.491 1.00 0.00 H new ATOM 0 HB2 LEU A 16 13.150 2.683 -12.505 1.00 0.00 H new ATOM 0 HB3 LEU A 16 13.364 4.422 -12.469 1.00 0.00 H new ATOM 0 HG LEU A 16 12.263 2.750 -10.188 1.00 0.00 H new ATOM 0 HD11 LEU A 16 14.468 3.264 -9.125 1.00 0.00 H new ATOM 0 HD12 LEU A 16 14.670 2.349 -10.639 1.00 0.00 H new ATOM 0 HD13 LEU A 16 14.973 4.102 -10.611 1.00 0.00 H new ATOM 0 HD21 LEU A 16 12.528 4.759 -8.806 1.00 0.00 H new ATOM 0 HD22 LEU A 16 12.984 5.691 -10.251 1.00 0.00 H new ATOM 0 HD23 LEU A 16 11.349 5.001 -10.117 1.00 0.00 H new ATOM 259 N PRO A 17 11.768 4.352 -15.027 1.00 0.00 N ATOM 260 CA PRO A 17 11.962 4.042 -16.437 1.00 0.00 C ATOM 261 C PRO A 17 12.707 2.715 -16.621 1.00 0.00 C ATOM 262 O PRO A 17 13.626 2.384 -15.867 1.00 0.00 O ATOM 263 CB PRO A 17 12.762 5.203 -17.031 1.00 0.00 C ATOM 264 CG PRO A 17 12.572 6.360 -16.059 1.00 0.00 C ATOM 265 CD PRO A 17 12.124 5.730 -14.743 1.00 0.00 C ATOM 0 HA PRO A 17 11.002 3.926 -16.941 1.00 0.00 H new ATOM 0 HB2 PRO A 17 13.816 4.943 -17.132 1.00 0.00 H new ATOM 0 HB3 PRO A 17 12.400 5.462 -18.026 1.00 0.00 H new ATOM 0 HG2 PRO A 17 13.499 6.918 -15.929 1.00 0.00 H new ATOM 0 HG3 PRO A 17 11.826 7.063 -16.430 1.00 0.00 H new ATOM 0 HD2 PRO A 17 12.923 5.776 -14.003 1.00 0.00 H new ATOM 0 HD3 PRO A 17 11.273 6.270 -14.328 1.00 0.00 H new ATOM 273 N GLU A 18 12.412 2.004 -17.707 1.00 0.00 N ATOM 274 CA GLU A 18 13.184 0.832 -18.128 1.00 0.00 C ATOM 275 C GLU A 18 14.572 1.212 -18.685 1.00 0.00 C ATOM 276 O GLU A 18 15.305 0.354 -19.177 1.00 0.00 O ATOM 277 CB GLU A 18 12.349 0.001 -19.114 1.00 0.00 C ATOM 278 CG GLU A 18 12.019 0.724 -20.430 1.00 0.00 C ATOM 279 CD GLU A 18 11.123 -0.140 -21.335 1.00 0.00 C ATOM 280 OE1 GLU A 18 11.648 -0.955 -22.127 1.00 0.00 O ATOM 281 OE2 GLU A 18 9.878 -0.004 -21.280 1.00 0.00 O ATOM 0 H GLU A 18 11.629 2.223 -18.323 1.00 0.00 H new ATOM 0 HA GLU A 18 13.393 0.215 -17.254 1.00 0.00 H new ATOM 0 HB2 GLU A 18 12.888 -0.918 -19.343 1.00 0.00 H new ATOM 0 HB3 GLU A 18 11.417 -0.289 -18.629 1.00 0.00 H new ATOM 0 HG2 GLU A 18 11.518 1.667 -20.213 1.00 0.00 H new ATOM 0 HG3 GLU A 18 12.943 0.967 -20.955 1.00 0.00 H new ATOM 288 N GLU A 19 14.932 2.497 -18.600 1.00 0.00 N ATOM 289 CA GLU A 19 16.152 3.096 -19.107 1.00 0.00 C ATOM 290 C GLU A 19 16.830 3.988 -18.045 1.00 0.00 C ATOM 291 O GLU A 19 17.720 4.773 -18.380 1.00 0.00 O ATOM 292 CB GLU A 19 15.862 3.897 -20.394 1.00 0.00 C ATOM 293 CG GLU A 19 15.057 3.135 -21.457 1.00 0.00 C ATOM 294 CD GLU A 19 15.008 3.909 -22.787 1.00 0.00 C ATOM 295 OE1 GLU A 19 14.112 4.764 -22.972 1.00 0.00 O ATOM 296 OE2 GLU A 19 15.857 3.658 -23.674 1.00 0.00 O ATOM 0 H GLU A 19 14.333 3.184 -18.143 1.00 0.00 H new ATOM 0 HA GLU A 19 16.846 2.291 -19.347 1.00 0.00 H new ATOM 0 HB2 GLU A 19 15.318 4.803 -20.127 1.00 0.00 H new ATOM 0 HB3 GLU A 19 16.810 4.211 -20.832 1.00 0.00 H new ATOM 0 HG2 GLU A 19 15.505 2.155 -21.621 1.00 0.00 H new ATOM 0 HG3 GLU A 19 14.043 2.966 -21.095 1.00 0.00 H new ATOM 303 N THR A 20 16.400 3.918 -16.777 1.00 0.00 N ATOM 304 CA THR A 20 16.982 4.707 -15.690 1.00 0.00 C ATOM 305 C THR A 20 18.467 4.365 -15.569 1.00 0.00 C ATOM 306 O THR A 20 18.869 3.212 -15.756 1.00 0.00 O ATOM 307 CB THR A 20 16.244 4.445 -14.364 1.00 0.00 C ATOM 308 OG1 THR A 20 14.861 4.394 -14.586 1.00 0.00 O ATOM 309 CG2 THR A 20 16.444 5.583 -13.357 1.00 0.00 C ATOM 0 H THR A 20 15.637 3.310 -16.479 1.00 0.00 H new ATOM 0 HA THR A 20 16.874 5.768 -15.915 1.00 0.00 H new ATOM 0 HB THR A 20 16.647 3.509 -13.977 1.00 0.00 H new ATOM 0 HG1 THR A 20 14.605 3.485 -14.850 1.00 0.00 H new ATOM 0 HG21 THR A 20 15.905 5.354 -12.437 1.00 0.00 H new ATOM 0 HG22 THR A 20 17.506 5.692 -13.138 1.00 0.00 H new ATOM 0 HG23 THR A 20 16.063 6.513 -13.779 1.00 0.00 H new ATOM 317 N ASN A 21 19.283 5.359 -15.231 1.00 0.00 N ATOM 318 CA ASN A 21 20.711 5.202 -15.025 1.00 0.00 C ATOM 319 C ASN A 21 21.105 5.996 -13.782 1.00 0.00 C ATOM 320 O ASN A 21 20.321 6.801 -13.271 1.00 0.00 O ATOM 321 CB ASN A 21 21.503 5.617 -16.279 1.00 0.00 C ATOM 322 CG ASN A 21 21.402 7.103 -16.607 1.00 0.00 C ATOM 323 OD1 ASN A 21 21.758 7.955 -15.802 1.00 0.00 O ATOM 324 ND2 ASN A 21 20.911 7.453 -17.783 1.00 0.00 N ATOM 0 H ASN A 21 18.958 6.316 -15.091 1.00 0.00 H new ATOM 0 HA ASN A 21 20.958 4.153 -14.859 1.00 0.00 H new ATOM 0 HB2 ASN A 21 22.552 5.356 -16.138 1.00 0.00 H new ATOM 0 HB3 ASN A 21 21.143 5.041 -17.132 1.00 0.00 H new ATOM 0 HD21 ASN A 21 20.826 8.440 -18.027 1.00 0.00 H new ATOM 0 HD22 ASN A 21 20.617 6.736 -18.447 1.00 0.00 H new ATOM 331 N GLU A 22 22.319 5.749 -13.291 1.00 0.00 N ATOM 332 CA GLU A 22 22.829 6.315 -12.045 1.00 0.00 C ATOM 333 C GLU A 22 22.771 7.845 -12.068 1.00 0.00 C ATOM 334 O GLU A 22 22.410 8.473 -11.071 1.00 0.00 O ATOM 335 CB GLU A 22 24.264 5.796 -11.854 1.00 0.00 C ATOM 336 CG GLU A 22 24.837 6.086 -10.464 1.00 0.00 C ATOM 337 CD GLU A 22 26.309 5.648 -10.362 1.00 0.00 C ATOM 338 OE1 GLU A 22 26.591 4.429 -10.306 1.00 0.00 O ATOM 339 OE2 GLU A 22 27.207 6.520 -10.341 1.00 0.00 O ATOM 0 H GLU A 22 22.988 5.137 -13.759 1.00 0.00 H new ATOM 0 HA GLU A 22 22.211 6.005 -11.203 1.00 0.00 H new ATOM 0 HB2 GLU A 22 24.279 4.720 -12.028 1.00 0.00 H new ATOM 0 HB3 GLU A 22 24.909 6.249 -12.606 1.00 0.00 H new ATOM 0 HG2 GLU A 22 24.757 7.152 -10.251 1.00 0.00 H new ATOM 0 HG3 GLU A 22 24.247 5.565 -9.710 1.00 0.00 H new ATOM 346 N MET A 23 23.093 8.442 -13.214 1.00 0.00 N ATOM 347 CA MET A 23 23.193 9.888 -13.353 1.00 0.00 C ATOM 348 C MET A 23 21.821 10.550 -13.267 1.00 0.00 C ATOM 349 O MET A 23 21.723 11.624 -12.680 1.00 0.00 O ATOM 350 CB MET A 23 23.926 10.261 -14.654 1.00 0.00 C ATOM 351 CG MET A 23 24.210 11.766 -14.759 1.00 0.00 C ATOM 352 SD MET A 23 25.233 12.456 -13.426 1.00 0.00 S ATOM 353 CE MET A 23 25.131 14.216 -13.846 1.00 0.00 C ATOM 0 H MET A 23 23.292 7.931 -14.074 1.00 0.00 H new ATOM 0 HA MET A 23 23.784 10.269 -12.520 1.00 0.00 H new ATOM 0 HB2 MET A 23 24.867 9.713 -14.707 1.00 0.00 H new ATOM 0 HB3 MET A 23 23.326 9.948 -15.508 1.00 0.00 H new ATOM 0 HG2 MET A 23 24.703 11.961 -15.711 1.00 0.00 H new ATOM 0 HG3 MET A 23 23.259 12.298 -14.778 1.00 0.00 H new ATOM 0 HE1 MET A 23 25.707 14.796 -13.125 1.00 0.00 H new ATOM 0 HE2 MET A 23 25.535 14.375 -14.846 1.00 0.00 H new ATOM 0 HE3 MET A 23 24.090 14.537 -13.820 1.00 0.00 H new ATOM 363 N MET A 24 20.763 9.919 -13.788 1.00 0.00 N ATOM 364 CA MET A 24 19.405 10.467 -13.716 1.00 0.00 C ATOM 365 C MET A 24 19.028 10.711 -12.261 1.00 0.00 C ATOM 366 O MET A 24 18.697 11.828 -11.854 1.00 0.00 O ATOM 367 CB MET A 24 18.369 9.525 -14.360 1.00 0.00 C ATOM 368 CG MET A 24 18.454 9.499 -15.882 1.00 0.00 C ATOM 369 SD MET A 24 17.979 11.049 -16.699 1.00 0.00 S ATOM 370 CE MET A 24 18.182 10.553 -18.431 1.00 0.00 C ATOM 0 H MET A 24 20.823 9.021 -14.268 1.00 0.00 H new ATOM 0 HA MET A 24 19.398 11.405 -14.272 1.00 0.00 H new ATOM 0 HB2 MET A 24 18.516 8.515 -13.976 1.00 0.00 H new ATOM 0 HB3 MET A 24 17.368 9.837 -14.063 1.00 0.00 H new ATOM 0 HG2 MET A 24 19.476 9.251 -16.170 1.00 0.00 H new ATOM 0 HG3 MET A 24 17.815 8.698 -16.254 1.00 0.00 H new ATOM 0 HE1 MET A 24 17.931 11.391 -19.081 1.00 0.00 H new ATOM 0 HE2 MET A 24 19.216 10.256 -18.606 1.00 0.00 H new ATOM 0 HE3 MET A 24 17.522 9.714 -18.649 1.00 0.00 H new ATOM 380 N LEU A 25 19.115 9.655 -11.456 1.00 0.00 N ATOM 381 CA LEU A 25 18.700 9.740 -10.068 1.00 0.00 C ATOM 382 C LEU A 25 19.686 10.586 -9.270 1.00 0.00 C ATOM 383 O LEU A 25 19.258 11.283 -8.356 1.00 0.00 O ATOM 384 CB LEU A 25 18.584 8.348 -9.440 1.00 0.00 C ATOM 385 CG LEU A 25 17.534 7.431 -10.087 1.00 0.00 C ATOM 386 CD1 LEU A 25 17.441 6.143 -9.268 1.00 0.00 C ATOM 387 CD2 LEU A 25 16.164 8.110 -10.186 1.00 0.00 C ATOM 0 H LEU A 25 19.466 8.741 -11.742 1.00 0.00 H new ATOM 0 HA LEU A 25 17.718 10.213 -10.042 1.00 0.00 H new ATOM 0 HB2 LEU A 25 19.556 7.858 -9.495 1.00 0.00 H new ATOM 0 HB3 LEU A 25 18.344 8.461 -8.383 1.00 0.00 H new ATOM 0 HG LEU A 25 17.845 7.205 -11.107 1.00 0.00 H new ATOM 0 HD11 LEU A 25 16.699 5.481 -9.714 1.00 0.00 H new ATOM 0 HD12 LEU A 25 18.412 5.647 -9.259 1.00 0.00 H new ATOM 0 HD13 LEU A 25 17.146 6.382 -8.246 1.00 0.00 H new ATOM 0 HD21 LEU A 25 15.452 7.427 -10.649 1.00 0.00 H new ATOM 0 HD22 LEU A 25 15.816 8.375 -9.187 1.00 0.00 H new ATOM 0 HD23 LEU A 25 16.248 9.012 -10.792 1.00 0.00 H new ATOM 399 N SER A 26 20.979 10.575 -9.613 1.00 0.00 N ATOM 400 CA SER A 26 21.950 11.415 -8.926 1.00 0.00 C ATOM 401 C SER A 26 21.600 12.880 -9.159 1.00 0.00 C ATOM 402 O SER A 26 21.544 13.656 -8.210 1.00 0.00 O ATOM 403 CB SER A 26 23.376 11.105 -9.393 1.00 0.00 C ATOM 404 OG SER A 26 23.702 9.751 -9.143 1.00 0.00 O ATOM 0 H SER A 26 21.369 9.996 -10.357 1.00 0.00 H new ATOM 0 HA SER A 26 21.911 11.206 -7.857 1.00 0.00 H new ATOM 0 HB2 SER A 26 23.469 11.316 -10.458 1.00 0.00 H new ATOM 0 HB3 SER A 26 24.082 11.755 -8.877 1.00 0.00 H new ATOM 0 HG SER A 26 23.306 9.185 -9.838 1.00 0.00 H new ATOM 410 N MET A 27 21.286 13.248 -10.401 1.00 0.00 N ATOM 411 CA MET A 27 20.874 14.594 -10.760 1.00 0.00 C ATOM 412 C MET A 27 19.608 14.985 -9.991 1.00 0.00 C ATOM 413 O MET A 27 19.528 16.113 -9.503 1.00 0.00 O ATOM 414 CB MET A 27 20.675 14.662 -12.283 1.00 0.00 C ATOM 415 CG MET A 27 20.413 16.089 -12.767 1.00 0.00 C ATOM 416 SD MET A 27 20.061 16.249 -14.543 1.00 0.00 S ATOM 417 CE MET A 27 21.630 15.684 -15.263 1.00 0.00 C ATOM 0 H MET A 27 21.313 12.606 -11.193 1.00 0.00 H new ATOM 0 HA MET A 27 21.645 15.313 -10.483 1.00 0.00 H new ATOM 0 HB2 MET A 27 21.560 14.268 -12.782 1.00 0.00 H new ATOM 0 HB3 MET A 27 19.838 14.024 -12.567 1.00 0.00 H new ATOM 0 HG2 MET A 27 19.571 16.497 -12.207 1.00 0.00 H new ATOM 0 HG3 MET A 27 21.282 16.702 -12.528 1.00 0.00 H new ATOM 0 HE1 MET A 27 21.627 15.875 -16.336 1.00 0.00 H new ATOM 0 HE2 MET A 27 22.457 16.222 -14.801 1.00 0.00 H new ATOM 0 HE3 MET A 27 21.748 14.615 -15.085 1.00 0.00 H new ATOM 427 N LEU A 28 18.636 14.073 -9.856 1.00 0.00 N ATOM 428 CA LEU A 28 17.396 14.377 -9.145 1.00 0.00 C ATOM 429 C LEU A 28 17.631 14.551 -7.647 1.00 0.00 C ATOM 430 O LEU A 28 17.232 15.571 -7.084 1.00 0.00 O ATOM 431 CB LEU A 28 16.321 13.305 -9.410 1.00 0.00 C ATOM 432 CG LEU A 28 15.767 13.310 -10.849 1.00 0.00 C ATOM 433 CD1 LEU A 28 14.796 12.138 -11.032 1.00 0.00 C ATOM 434 CD2 LEU A 28 15.047 14.618 -11.204 1.00 0.00 C ATOM 0 H LEU A 28 18.687 13.125 -10.229 1.00 0.00 H new ATOM 0 HA LEU A 28 17.029 15.327 -9.534 1.00 0.00 H new ATOM 0 HB2 LEU A 28 16.743 12.323 -9.198 1.00 0.00 H new ATOM 0 HB3 LEU A 28 15.496 13.454 -8.714 1.00 0.00 H new ATOM 0 HG LEU A 28 16.622 13.213 -11.519 1.00 0.00 H new ATOM 0 HD11 LEU A 28 14.406 12.144 -12.050 1.00 0.00 H new ATOM 0 HD12 LEU A 28 15.320 11.200 -10.850 1.00 0.00 H new ATOM 0 HD13 LEU A 28 13.971 12.236 -10.327 1.00 0.00 H new ATOM 0 HD21 LEU A 28 14.678 14.564 -12.228 1.00 0.00 H new ATOM 0 HD22 LEU A 28 14.208 14.768 -10.524 1.00 0.00 H new ATOM 0 HD23 LEU A 28 15.742 15.453 -11.112 1.00 0.00 H new ATOM 446 N PHE A 29 18.262 13.581 -6.989 1.00 0.00 N ATOM 447 CA PHE A 29 18.342 13.575 -5.531 1.00 0.00 C ATOM 448 C PHE A 29 19.474 14.455 -4.987 1.00 0.00 C ATOM 449 O PHE A 29 19.351 14.955 -3.870 1.00 0.00 O ATOM 450 CB PHE A 29 18.494 12.142 -5.010 1.00 0.00 C ATOM 451 CG PHE A 29 17.217 11.325 -4.986 1.00 0.00 C ATOM 452 CD1 PHE A 29 16.716 10.735 -6.160 1.00 0.00 C ATOM 453 CD2 PHE A 29 16.535 11.134 -3.769 1.00 0.00 C ATOM 454 CE1 PHE A 29 15.545 9.965 -6.114 1.00 0.00 C ATOM 455 CE2 PHE A 29 15.362 10.364 -3.721 1.00 0.00 C ATOM 456 CZ PHE A 29 14.868 9.779 -4.896 1.00 0.00 C ATOM 0 H PHE A 29 18.724 12.792 -7.441 1.00 0.00 H new ATOM 0 HA PHE A 29 17.407 14.002 -5.168 1.00 0.00 H new ATOM 0 HB2 PHE A 29 19.227 11.623 -5.628 1.00 0.00 H new ATOM 0 HB3 PHE A 29 18.900 12.181 -3.999 1.00 0.00 H new ATOM 0 HD1 PHE A 29 17.233 10.875 -7.098 1.00 0.00 H new ATOM 0 HD2 PHE A 29 16.918 11.584 -2.865 1.00 0.00 H new ATOM 0 HE1 PHE A 29 15.162 9.513 -7.017 1.00 0.00 H new ATOM 0 HE2 PHE A 29 14.843 10.223 -2.784 1.00 0.00 H new ATOM 0 HZ PHE A 29 13.967 9.185 -4.865 1.00 0.00 H new ATOM 466 N ASN A 30 20.562 14.694 -5.731 1.00 0.00 N ATOM 467 CA ASN A 30 21.680 15.508 -5.237 1.00 0.00 C ATOM 468 C ASN A 30 21.287 16.978 -5.013 1.00 0.00 C ATOM 469 O ASN A 30 22.039 17.738 -4.401 1.00 0.00 O ATOM 470 CB ASN A 30 22.896 15.401 -6.165 1.00 0.00 C ATOM 471 CG ASN A 30 24.117 16.148 -5.631 1.00 0.00 C ATOM 472 OD1 ASN A 30 24.574 15.910 -4.517 1.00 0.00 O ATOM 473 ND2 ASN A 30 24.688 17.052 -6.414 1.00 0.00 N ATOM 0 H ASN A 30 20.692 14.335 -6.677 1.00 0.00 H new ATOM 0 HA ASN A 30 21.954 15.102 -4.263 1.00 0.00 H new ATOM 0 HB2 ASN A 30 23.151 14.350 -6.303 1.00 0.00 H new ATOM 0 HB3 ASN A 30 22.634 15.797 -7.146 1.00 0.00 H new ATOM 0 HD21 ASN A 30 25.514 17.556 -6.092 1.00 0.00 H new ATOM 0 HD22 ASN A 30 24.301 17.243 -7.338 1.00 0.00 H new ATOM 480 N GLN A 31 20.103 17.392 -5.484 1.00 0.00 N ATOM 481 CA GLN A 31 19.520 18.690 -5.169 1.00 0.00 C ATOM 482 C GLN A 31 19.382 18.892 -3.651 1.00 0.00 C ATOM 483 O GLN A 31 19.463 20.030 -3.184 1.00 0.00 O ATOM 484 CB GLN A 31 18.145 18.828 -5.845 1.00 0.00 C ATOM 485 CG GLN A 31 18.230 18.827 -7.378 1.00 0.00 C ATOM 486 CD GLN A 31 16.850 19.006 -8.014 1.00 0.00 C ATOM 487 OE1 GLN A 31 16.496 20.083 -8.487 1.00 0.00 O ATOM 488 NE2 GLN A 31 16.036 17.962 -8.027 1.00 0.00 N ATOM 0 H GLN A 31 19.522 16.824 -6.101 1.00 0.00 H new ATOM 0 HA GLN A 31 20.191 19.460 -5.550 1.00 0.00 H new ATOM 0 HB2 GLN A 31 17.503 18.009 -5.521 1.00 0.00 H new ATOM 0 HB3 GLN A 31 17.674 19.753 -5.513 1.00 0.00 H new ATOM 0 HG2 GLN A 31 18.891 19.629 -7.708 1.00 0.00 H new ATOM 0 HG3 GLN A 31 18.671 17.890 -7.719 1.00 0.00 H new ATOM 0 HE21 GLN A 31 16.341 17.073 -7.631 1.00 0.00 H new ATOM 0 HE22 GLN A 31 15.104 18.047 -8.433 1.00 0.00 H new ATOM 497 N PHE A 32 19.179 17.818 -2.879 1.00 0.00 N ATOM 498 CA PHE A 32 19.053 17.894 -1.428 1.00 0.00 C ATOM 499 C PHE A 32 20.455 17.796 -0.810 1.00 0.00 C ATOM 500 O PHE A 32 21.224 16.920 -1.221 1.00 0.00 O ATOM 501 CB PHE A 32 18.137 16.767 -0.922 1.00 0.00 C ATOM 502 CG PHE A 32 16.838 16.654 -1.709 1.00 0.00 C ATOM 503 CD1 PHE A 32 15.911 17.715 -1.726 1.00 0.00 C ATOM 504 CD2 PHE A 32 16.606 15.524 -2.514 1.00 0.00 C ATOM 505 CE1 PHE A 32 14.786 17.654 -2.571 1.00 0.00 C ATOM 506 CE2 PHE A 32 15.486 15.462 -3.353 1.00 0.00 C ATOM 507 CZ PHE A 32 14.585 16.534 -3.398 1.00 0.00 C ATOM 0 H PHE A 32 19.098 16.871 -3.249 1.00 0.00 H new ATOM 0 HA PHE A 32 18.602 18.842 -1.134 1.00 0.00 H new ATOM 0 HB2 PHE A 32 18.672 15.819 -0.978 1.00 0.00 H new ATOM 0 HB3 PHE A 32 17.904 16.940 0.129 1.00 0.00 H new ATOM 0 HD1 PHE A 32 16.063 18.575 -1.091 1.00 0.00 H new ATOM 0 HD2 PHE A 32 17.298 14.696 -2.485 1.00 0.00 H new ATOM 0 HE1 PHE A 32 14.077 18.468 -2.584 1.00 0.00 H new ATOM 0 HE2 PHE A 32 15.317 14.588 -3.965 1.00 0.00 H new ATOM 0 HZ PHE A 32 13.737 16.500 -4.067 1.00 0.00 H new ATOM 517 N PRO A 33 20.803 18.626 0.193 1.00 0.00 N ATOM 518 CA PRO A 33 22.154 18.735 0.756 1.00 0.00 C ATOM 519 C PRO A 33 22.535 17.555 1.682 1.00 0.00 C ATOM 520 O PRO A 33 23.274 17.728 2.655 1.00 0.00 O ATOM 521 CB PRO A 33 22.170 20.103 1.457 1.00 0.00 C ATOM 522 CG PRO A 33 20.730 20.267 1.932 1.00 0.00 C ATOM 523 CD PRO A 33 19.934 19.631 0.795 1.00 0.00 C ATOM 0 HA PRO A 33 22.920 18.674 -0.017 1.00 0.00 H new ATOM 0 HB2 PRO A 33 22.873 20.121 2.290 1.00 0.00 H new ATOM 0 HB3 PRO A 33 22.463 20.902 0.775 1.00 0.00 H new ATOM 0 HG2 PRO A 33 20.556 19.762 2.882 1.00 0.00 H new ATOM 0 HG3 PRO A 33 20.467 21.315 2.075 1.00 0.00 H new ATOM 0 HD2 PRO A 33 19.017 19.176 1.170 1.00 0.00 H new ATOM 0 HD3 PRO A 33 19.641 20.381 0.060 1.00 0.00 H new ATOM 531 N GLY A 34 22.036 16.352 1.390 1.00 0.00 N ATOM 532 CA GLY A 34 22.283 15.137 2.154 1.00 0.00 C ATOM 533 C GLY A 34 22.507 13.909 1.284 1.00 0.00 C ATOM 534 O GLY A 34 22.877 12.872 1.832 1.00 0.00 O ATOM 0 H GLY A 34 21.428 16.196 0.586 1.00 0.00 H new ATOM 0 HA2 GLY A 34 23.156 15.287 2.789 1.00 0.00 H new ATOM 0 HA3 GLY A 34 21.436 14.955 2.815 1.00 0.00 H new ATOM 538 N PHE A 35 22.299 13.990 -0.033 1.00 0.00 N ATOM 539 CA PHE A 35 22.564 12.911 -0.962 1.00 0.00 C ATOM 540 C PHE A 35 24.011 12.439 -0.843 1.00 0.00 C ATOM 541 O PHE A 35 24.922 13.233 -0.582 1.00 0.00 O ATOM 542 CB PHE A 35 22.303 13.460 -2.362 1.00 0.00 C ATOM 543 CG PHE A 35 22.717 12.559 -3.507 1.00 0.00 C ATOM 544 CD1 PHE A 35 24.014 12.650 -4.049 1.00 0.00 C ATOM 545 CD2 PHE A 35 21.798 11.646 -4.047 1.00 0.00 C ATOM 546 CE1 PHE A 35 24.384 11.834 -5.131 1.00 0.00 C ATOM 547 CE2 PHE A 35 22.158 10.852 -5.144 1.00 0.00 C ATOM 548 CZ PHE A 35 23.451 10.944 -5.683 1.00 0.00 C ATOM 0 H PHE A 35 21.934 14.829 -0.483 1.00 0.00 H new ATOM 0 HA PHE A 35 21.925 12.054 -0.749 1.00 0.00 H new ATOM 0 HB2 PHE A 35 21.238 13.672 -2.457 1.00 0.00 H new ATOM 0 HB3 PHE A 35 22.827 14.410 -2.464 1.00 0.00 H new ATOM 0 HD1 PHE A 35 24.725 13.348 -3.632 1.00 0.00 H new ATOM 0 HD2 PHE A 35 20.812 11.555 -3.616 1.00 0.00 H new ATOM 0 HE1 PHE A 35 25.383 11.892 -5.536 1.00 0.00 H new ATOM 0 HE2 PHE A 35 21.441 10.169 -5.575 1.00 0.00 H new ATOM 0 HZ PHE A 35 23.728 10.328 -6.525 1.00 0.00 H new ATOM 558 N LYS A 36 24.215 11.154 -1.123 1.00 0.00 N ATOM 559 CA LYS A 36 25.534 10.541 -1.195 1.00 0.00 C ATOM 560 C LYS A 36 25.694 9.705 -2.458 1.00 0.00 C ATOM 561 O LYS A 36 26.694 9.903 -3.150 1.00 0.00 O ATOM 562 CB LYS A 36 25.811 9.689 0.052 1.00 0.00 C ATOM 563 CG LYS A 36 25.899 10.538 1.332 1.00 0.00 C ATOM 564 CD LYS A 36 26.256 9.714 2.577 1.00 0.00 C ATOM 565 CE LYS A 36 27.621 9.047 2.409 1.00 0.00 C ATOM 566 NZ LYS A 36 28.066 8.325 3.627 1.00 0.00 N ATOM 0 H LYS A 36 23.454 10.501 -1.309 1.00 0.00 H new ATOM 0 HA LYS A 36 26.266 11.347 -1.233 1.00 0.00 H new ATOM 0 HB2 LYS A 36 25.021 8.947 0.165 1.00 0.00 H new ATOM 0 HB3 LYS A 36 26.744 9.143 -0.084 1.00 0.00 H new ATOM 0 HG2 LYS A 36 26.648 11.318 1.193 1.00 0.00 H new ATOM 0 HG3 LYS A 36 24.944 11.038 1.496 1.00 0.00 H new ATOM 0 HD2 LYS A 36 26.266 10.359 3.456 1.00 0.00 H new ATOM 0 HD3 LYS A 36 25.493 8.955 2.748 1.00 0.00 H new ATOM 0 HE2 LYS A 36 27.578 8.348 1.574 1.00 0.00 H new ATOM 0 HE3 LYS A 36 28.361 9.805 2.152 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 28.996 7.893 3.454 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 28.136 8.993 4.421 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 27.378 7.581 3.861 1.00 0.00 H new ATOM 580 N GLU A 37 24.778 8.779 -2.773 1.00 0.00 N ATOM 581 CA GLU A 37 25.026 7.825 -3.862 1.00 0.00 C ATOM 582 C GLU A 37 23.723 7.252 -4.436 1.00 0.00 C ATOM 583 O GLU A 37 22.671 7.324 -3.800 1.00 0.00 O ATOM 584 CB GLU A 37 25.969 6.716 -3.331 1.00 0.00 C ATOM 585 CG GLU A 37 26.566 5.819 -4.429 1.00 0.00 C ATOM 586 CD GLU A 37 27.830 5.078 -3.961 1.00 0.00 C ATOM 587 OE1 GLU A 37 27.706 3.955 -3.420 1.00 0.00 O ATOM 588 OE2 GLU A 37 28.952 5.602 -4.143 1.00 0.00 O ATOM 0 H GLU A 37 23.880 8.671 -2.302 1.00 0.00 H new ATOM 0 HA GLU A 37 25.506 8.340 -4.694 1.00 0.00 H new ATOM 0 HB2 GLU A 37 26.783 7.182 -2.775 1.00 0.00 H new ATOM 0 HB3 GLU A 37 25.418 6.092 -2.627 1.00 0.00 H new ATOM 0 HG2 GLU A 37 25.819 5.092 -4.746 1.00 0.00 H new ATOM 0 HG3 GLU A 37 26.807 6.428 -5.300 1.00 0.00 H new ATOM 595 N VAL A 38 23.812 6.636 -5.619 1.00 0.00 N ATOM 596 CA VAL A 38 22.766 5.853 -6.277 1.00 0.00 C ATOM 597 C VAL A 38 23.380 4.499 -6.634 1.00 0.00 C ATOM 598 O VAL A 38 24.559 4.421 -6.992 1.00 0.00 O ATOM 599 CB VAL A 38 22.267 6.578 -7.546 1.00 0.00 C ATOM 600 CG1 VAL A 38 21.273 5.743 -8.372 1.00 0.00 C ATOM 601 CG2 VAL A 38 21.605 7.907 -7.193 1.00 0.00 C ATOM 0 H VAL A 38 24.667 6.674 -6.174 1.00 0.00 H new ATOM 0 HA VAL A 38 21.906 5.724 -5.620 1.00 0.00 H new ATOM 0 HB VAL A 38 23.157 6.744 -8.153 1.00 0.00 H new ATOM 0 HG11 VAL A 38 20.962 6.310 -9.249 1.00 0.00 H new ATOM 0 HG12 VAL A 38 21.752 4.817 -8.690 1.00 0.00 H new ATOM 0 HG13 VAL A 38 20.400 5.509 -7.763 1.00 0.00 H new ATOM 0 HG21 VAL A 38 21.263 8.397 -8.105 1.00 0.00 H new ATOM 0 HG22 VAL A 38 20.754 7.726 -6.537 1.00 0.00 H new ATOM 0 HG23 VAL A 38 22.325 8.549 -6.685 1.00 0.00 H new ATOM 611 N ARG A 39 22.574 3.438 -6.566 1.00 0.00 N ATOM 612 CA ARG A 39 22.958 2.071 -6.900 1.00 0.00 C ATOM 613 C ARG A 39 21.816 1.514 -7.746 1.00 0.00 C ATOM 614 O ARG A 39 20.796 1.062 -7.222 1.00 0.00 O ATOM 615 CB ARG A 39 23.264 1.263 -5.620 1.00 0.00 C ATOM 616 CG ARG A 39 24.415 1.895 -4.816 1.00 0.00 C ATOM 617 CD ARG A 39 24.745 1.162 -3.514 1.00 0.00 C ATOM 618 NE ARG A 39 25.717 1.961 -2.746 1.00 0.00 N ATOM 619 CZ ARG A 39 25.609 2.395 -1.486 1.00 0.00 C ATOM 620 NH1 ARG A 39 24.643 1.984 -0.672 1.00 0.00 N ATOM 621 NH2 ARG A 39 26.497 3.280 -1.066 1.00 0.00 N ATOM 0 H ARG A 39 21.602 3.513 -6.266 1.00 0.00 H new ATOM 0 HA ARG A 39 23.883 2.015 -7.473 1.00 0.00 H new ATOM 0 HB2 ARG A 39 22.370 1.211 -4.999 1.00 0.00 H new ATOM 0 HB3 ARG A 39 23.525 0.239 -5.888 1.00 0.00 H new ATOM 0 HG2 ARG A 39 25.308 1.923 -5.441 1.00 0.00 H new ATOM 0 HG3 ARG A 39 24.157 2.928 -4.583 1.00 0.00 H new ATOM 0 HD2 ARG A 39 23.838 1.008 -2.929 1.00 0.00 H new ATOM 0 HD3 ARG A 39 25.156 0.176 -3.731 1.00 0.00 H new ATOM 0 HE ARG A 39 26.576 2.213 -3.235 1.00 0.00 H new ATOM 0 HH11 ARG A 39 23.949 1.313 -1.002 1.00 0.00 H new ATOM 0 HH12 ARG A 39 24.595 2.339 0.283 1.00 0.00 H new ATOM 0 HH21 ARG A 39 27.229 3.606 -1.697 1.00 0.00 H new ATOM 0 HH22 ARG A 39 26.450 3.636 -0.111 1.00 0.00 H new ATOM 635 N LEU A 40 21.937 1.680 -9.065 1.00 0.00 N ATOM 636 CA LEU A 40 21.001 1.164 -10.059 1.00 0.00 C ATOM 637 C LEU A 40 21.049 -0.365 -10.059 1.00 0.00 C ATOM 638 O LEU A 40 21.941 -0.983 -9.473 1.00 0.00 O ATOM 639 CB LEU A 40 21.376 1.732 -11.453 1.00 0.00 C ATOM 640 CG LEU A 40 20.259 2.479 -12.208 1.00 0.00 C ATOM 641 CD1 LEU A 40 19.034 1.606 -12.487 1.00 0.00 C ATOM 642 CD2 LEU A 40 19.846 3.764 -11.484 1.00 0.00 C ATOM 0 H LEU A 40 22.714 2.194 -9.481 1.00 0.00 H new ATOM 0 HA LEU A 40 19.985 1.475 -9.817 1.00 0.00 H new ATOM 0 HB2 LEU A 40 22.220 2.411 -11.330 1.00 0.00 H new ATOM 0 HB3 LEU A 40 21.719 0.907 -12.078 1.00 0.00 H new ATOM 0 HG LEU A 40 20.687 2.747 -13.174 1.00 0.00 H new ATOM 0 HD11 LEU A 40 18.285 2.191 -13.021 1.00 0.00 H new ATOM 0 HD12 LEU A 40 19.328 0.751 -13.095 1.00 0.00 H new ATOM 0 HD13 LEU A 40 18.616 1.254 -11.544 1.00 0.00 H new ATOM 0 HD21 LEU A 40 19.057 4.262 -12.048 1.00 0.00 H new ATOM 0 HD22 LEU A 40 19.480 3.518 -10.487 1.00 0.00 H new ATOM 0 HD23 LEU A 40 20.707 4.428 -11.401 1.00 0.00 H new ATOM 654 N VAL A 41 20.130 -0.966 -10.809 1.00 0.00 N ATOM 655 CA VAL A 41 20.119 -2.384 -11.122 1.00 0.00 C ATOM 656 C VAL A 41 20.179 -2.435 -12.648 1.00 0.00 C ATOM 657 O VAL A 41 19.124 -2.477 -13.278 1.00 0.00 O ATOM 658 CB VAL A 41 18.899 -3.075 -10.471 1.00 0.00 C ATOM 659 CG1 VAL A 41 18.955 -4.595 -10.692 1.00 0.00 C ATOM 660 CG2 VAL A 41 18.836 -2.808 -8.955 1.00 0.00 C ATOM 0 H VAL A 41 19.349 -0.460 -11.227 1.00 0.00 H new ATOM 0 HA VAL A 41 20.959 -2.945 -10.712 1.00 0.00 H new ATOM 0 HB VAL A 41 18.011 -2.658 -10.945 1.00 0.00 H new ATOM 0 HG11 VAL A 41 18.088 -5.063 -10.226 1.00 0.00 H new ATOM 0 HG12 VAL A 41 18.951 -4.808 -11.761 1.00 0.00 H new ATOM 0 HG13 VAL A 41 19.866 -4.994 -10.246 1.00 0.00 H new ATOM 0 HG21 VAL A 41 17.965 -3.310 -8.533 1.00 0.00 H new ATOM 0 HG22 VAL A 41 19.740 -3.190 -8.480 1.00 0.00 H new ATOM 0 HG23 VAL A 41 18.758 -1.735 -8.777 1.00 0.00 H new ATOM 670 N PRO A 42 21.369 -2.357 -13.277 1.00 0.00 N ATOM 671 CA PRO A 42 21.538 -2.208 -14.728 1.00 0.00 C ATOM 672 C PRO A 42 21.236 -3.491 -15.531 1.00 0.00 C ATOM 673 O PRO A 42 21.791 -3.736 -16.605 1.00 0.00 O ATOM 674 CB PRO A 42 22.965 -1.676 -14.912 1.00 0.00 C ATOM 675 CG PRO A 42 23.710 -2.310 -13.742 1.00 0.00 C ATOM 676 CD PRO A 42 22.670 -2.261 -12.627 1.00 0.00 C ATOM 0 HA PRO A 42 20.805 -1.514 -15.140 1.00 0.00 H new ATOM 0 HB2 PRO A 42 23.388 -1.974 -15.871 1.00 0.00 H new ATOM 0 HB3 PRO A 42 23.000 -0.587 -14.873 1.00 0.00 H new ATOM 0 HG2 PRO A 42 24.021 -3.331 -13.963 1.00 0.00 H new ATOM 0 HG3 PRO A 42 24.610 -1.752 -13.483 1.00 0.00 H new ATOM 0 HD2 PRO A 42 22.815 -3.081 -11.924 1.00 0.00 H new ATOM 0 HD3 PRO A 42 22.753 -1.335 -12.058 1.00 0.00 H new ATOM 684 N ASN A 43 20.345 -4.316 -14.985 1.00 0.00 N ATOM 685 CA ASN A 43 19.714 -5.473 -15.590 1.00 0.00 C ATOM 686 C ASN A 43 18.186 -5.443 -15.404 1.00 0.00 C ATOM 687 O ASN A 43 17.504 -6.310 -15.953 1.00 0.00 O ATOM 688 CB ASN A 43 20.331 -6.784 -15.069 1.00 0.00 C ATOM 689 CG ASN A 43 19.973 -7.070 -13.612 1.00 0.00 C ATOM 690 OD1 ASN A 43 18.882 -7.536 -13.300 1.00 0.00 O ATOM 691 ND2 ASN A 43 20.875 -6.783 -12.687 1.00 0.00 N ATOM 0 H ASN A 43 20.023 -4.175 -14.027 1.00 0.00 H new ATOM 0 HA ASN A 43 19.906 -5.431 -16.662 1.00 0.00 H new ATOM 0 HB2 ASN A 43 19.991 -7.612 -15.691 1.00 0.00 H new ATOM 0 HB3 ASN A 43 21.415 -6.734 -15.169 1.00 0.00 H new ATOM 0 HD21 ASN A 43 20.666 -6.949 -11.702 1.00 0.00 H new ATOM 0 HD22 ASN A 43 21.779 -6.396 -12.959 1.00 0.00 H new ATOM 698 N ARG A 44 17.626 -4.443 -14.696 1.00 0.00 N ATOM 699 CA ARG A 44 16.182 -4.225 -14.607 1.00 0.00 C ATOM 700 C ARG A 44 15.808 -2.768 -14.854 1.00 0.00 C ATOM 701 O ARG A 44 14.830 -2.521 -15.555 1.00 0.00 O ATOM 702 CB ARG A 44 15.650 -4.699 -13.242 1.00 0.00 C ATOM 703 CG ARG A 44 15.094 -6.129 -13.311 1.00 0.00 C ATOM 704 CD ARG A 44 14.316 -6.516 -12.047 1.00 0.00 C ATOM 705 NE ARG A 44 13.104 -5.692 -11.875 1.00 0.00 N ATOM 706 CZ ARG A 44 12.073 -5.952 -11.067 1.00 0.00 C ATOM 707 NH1 ARG A 44 12.053 -7.054 -10.320 1.00 0.00 N ATOM 708 NH2 ARG A 44 11.061 -5.095 -11.009 1.00 0.00 N ATOM 0 H ARG A 44 18.173 -3.763 -14.168 1.00 0.00 H new ATOM 0 HA ARG A 44 15.713 -4.816 -15.393 1.00 0.00 H new ATOM 0 HB2 ARG A 44 16.452 -4.656 -12.505 1.00 0.00 H new ATOM 0 HB3 ARG A 44 14.867 -4.021 -12.902 1.00 0.00 H new ATOM 0 HG2 ARG A 44 14.441 -6.220 -14.179 1.00 0.00 H new ATOM 0 HG3 ARG A 44 15.917 -6.829 -13.456 1.00 0.00 H new ATOM 0 HD2 ARG A 44 14.036 -7.568 -12.101 1.00 0.00 H new ATOM 0 HD3 ARG A 44 14.960 -6.402 -11.175 1.00 0.00 H new ATOM 0 HE ARG A 44 13.048 -4.838 -12.429 1.00 0.00 H new ATOM 0 HH11 ARG A 44 12.831 -7.712 -10.361 1.00 0.00 H new ATOM 0 HH12 ARG A 44 11.259 -7.240 -9.707 1.00 0.00 H new ATOM 0 HH21 ARG A 44 11.076 -4.249 -11.578 1.00 0.00 H new ATOM 0 HH22 ARG A 44 10.268 -5.283 -10.396 1.00 0.00 H new ATOM 722 N HIS A 45 16.589 -1.820 -14.328 1.00 0.00 N ATOM 723 CA HIS A 45 16.434 -0.366 -14.407 1.00 0.00 C ATOM 724 C HIS A 45 15.149 0.193 -13.775 1.00 0.00 C ATOM 725 O HIS A 45 15.161 1.334 -13.324 1.00 0.00 O ATOM 726 CB HIS A 45 16.587 0.139 -15.851 1.00 0.00 C ATOM 727 CG HIS A 45 17.886 -0.247 -16.516 1.00 0.00 C ATOM 728 ND1 HIS A 45 19.013 0.536 -16.609 1.00 0.00 N ATOM 729 CD2 HIS A 45 18.151 -1.412 -17.188 1.00 0.00 C ATOM 730 CE1 HIS A 45 19.933 -0.136 -17.318 1.00 0.00 C ATOM 731 NE2 HIS A 45 19.457 -1.341 -17.688 1.00 0.00 N ATOM 0 H HIS A 45 17.417 -2.073 -13.790 1.00 0.00 H new ATOM 0 HA HIS A 45 17.248 0.022 -13.795 1.00 0.00 H new ATOM 0 HB2 HIS A 45 15.760 -0.247 -16.447 1.00 0.00 H new ATOM 0 HB3 HIS A 45 16.501 1.226 -15.853 1.00 0.00 H new ATOM 0 HD1 HIS A 45 19.129 1.467 -16.208 1.00 0.00 H new ATOM 0 HD2 HIS A 45 17.470 -2.241 -17.311 1.00 0.00 H new ATOM 0 HE1 HIS A 45 20.918 0.237 -17.559 1.00 0.00 H new ATOM 739 N ASP A 46 14.066 -0.584 -13.695 1.00 0.00 N ATOM 740 CA ASP A 46 12.767 -0.158 -13.179 1.00 0.00 C ATOM 741 C ASP A 46 12.746 -0.091 -11.650 1.00 0.00 C ATOM 742 O ASP A 46 11.770 0.406 -11.081 1.00 0.00 O ATOM 743 CB ASP A 46 11.645 -1.072 -13.693 1.00 0.00 C ATOM 744 CG ASP A 46 11.541 -2.387 -12.910 1.00 0.00 C ATOM 745 OD1 ASP A 46 12.526 -3.155 -12.882 1.00 0.00 O ATOM 746 OD2 ASP A 46 10.470 -2.694 -12.343 1.00 0.00 O ATOM 0 H ASP A 46 14.072 -1.558 -13.998 1.00 0.00 H new ATOM 0 HA ASP A 46 12.594 0.852 -13.552 1.00 0.00 H new ATOM 0 HB2 ASP A 46 10.695 -0.542 -13.631 1.00 0.00 H new ATOM 0 HB3 ASP A 46 11.818 -1.295 -14.746 1.00 0.00 H new ATOM 751 N ILE A 47 13.818 -0.542 -10.989 1.00 0.00 N ATOM 752 CA ILE A 47 14.062 -0.371 -9.567 1.00 0.00 C ATOM 753 C ILE A 47 15.517 0.080 -9.369 1.00 0.00 C ATOM 754 O ILE A 47 16.369 -0.155 -10.233 1.00 0.00 O ATOM 755 CB ILE A 47 13.695 -1.641 -8.753 1.00 0.00 C ATOM 756 CG1 ILE A 47 14.816 -2.696 -8.625 1.00 0.00 C ATOM 757 CG2 ILE A 47 12.397 -2.306 -9.246 1.00 0.00 C ATOM 758 CD1 ILE A 47 15.232 -3.415 -9.905 1.00 0.00 C ATOM 0 H ILE A 47 14.565 -1.056 -11.456 1.00 0.00 H new ATOM 0 HA ILE A 47 13.406 0.405 -9.173 1.00 0.00 H new ATOM 0 HB ILE A 47 13.538 -1.249 -7.748 1.00 0.00 H new ATOM 0 HG12 ILE A 47 15.697 -2.207 -8.208 1.00 0.00 H new ATOM 0 HG13 ILE A 47 14.496 -3.446 -7.902 1.00 0.00 H new ATOM 0 HG21 ILE A 47 12.188 -3.189 -8.642 1.00 0.00 H new ATOM 0 HG22 ILE A 47 11.570 -1.601 -9.156 1.00 0.00 H new ATOM 0 HG23 ILE A 47 12.512 -2.600 -10.289 1.00 0.00 H new ATOM 0 HD11 ILE A 47 16.025 -4.128 -9.680 1.00 0.00 H new ATOM 0 HD12 ILE A 47 14.374 -3.945 -10.320 1.00 0.00 H new ATOM 0 HD13 ILE A 47 15.594 -2.686 -10.630 1.00 0.00 H new ATOM 770 N ALA A 48 15.804 0.719 -8.234 1.00 0.00 N ATOM 771 CA ALA A 48 17.117 1.240 -7.867 1.00 0.00 C ATOM 772 C ALA A 48 17.187 1.427 -6.352 1.00 0.00 C ATOM 773 O ALA A 48 16.183 1.267 -5.655 1.00 0.00 O ATOM 774 CB ALA A 48 17.346 2.592 -8.563 1.00 0.00 C ATOM 0 H ALA A 48 15.098 0.894 -7.518 1.00 0.00 H new ATOM 0 HA ALA A 48 17.887 0.536 -8.181 1.00 0.00 H new ATOM 0 HB1 ALA A 48 18.327 2.981 -8.289 1.00 0.00 H new ATOM 0 HB2 ALA A 48 17.298 2.458 -9.644 1.00 0.00 H new ATOM 0 HB3 ALA A 48 16.576 3.297 -8.251 1.00 0.00 H new ATOM 780 N PHE A 49 18.351 1.837 -5.854 1.00 0.00 N ATOM 781 CA PHE A 49 18.551 2.261 -4.478 1.00 0.00 C ATOM 782 C PHE A 49 19.264 3.613 -4.493 1.00 0.00 C ATOM 783 O PHE A 49 20.003 3.919 -5.433 1.00 0.00 O ATOM 784 CB PHE A 49 19.373 1.220 -3.700 1.00 0.00 C ATOM 785 CG PHE A 49 18.729 -0.145 -3.533 1.00 0.00 C ATOM 786 CD1 PHE A 49 18.719 -1.062 -4.606 1.00 0.00 C ATOM 787 CD2 PHE A 49 18.170 -0.516 -2.294 1.00 0.00 C ATOM 788 CE1 PHE A 49 18.125 -2.329 -4.454 1.00 0.00 C ATOM 789 CE2 PHE A 49 17.604 -1.794 -2.133 1.00 0.00 C ATOM 790 CZ PHE A 49 17.579 -2.699 -3.211 1.00 0.00 C ATOM 0 H PHE A 49 19.202 1.883 -6.415 1.00 0.00 H new ATOM 0 HA PHE A 49 17.588 2.355 -3.976 1.00 0.00 H new ATOM 0 HB2 PHE A 49 20.330 1.089 -4.206 1.00 0.00 H new ATOM 0 HB3 PHE A 49 19.588 1.622 -2.710 1.00 0.00 H new ATOM 0 HD1 PHE A 49 19.170 -0.790 -5.549 1.00 0.00 H new ATOM 0 HD2 PHE A 49 18.176 0.180 -1.468 1.00 0.00 H new ATOM 0 HE1 PHE A 49 18.088 -3.014 -5.288 1.00 0.00 H new ATOM 0 HE2 PHE A 49 17.187 -2.082 -1.179 1.00 0.00 H new ATOM 0 HZ PHE A 49 17.141 -3.678 -3.084 1.00 0.00 H new ATOM 800 N VAL A 50 19.070 4.412 -3.445 1.00 0.00 N ATOM 801 CA VAL A 50 19.678 5.728 -3.264 1.00 0.00 C ATOM 802 C VAL A 50 20.107 5.810 -1.795 1.00 0.00 C ATOM 803 O VAL A 50 19.433 5.246 -0.930 1.00 0.00 O ATOM 804 CB VAL A 50 18.670 6.836 -3.664 1.00 0.00 C ATOM 805 CG1 VAL A 50 19.305 8.233 -3.622 1.00 0.00 C ATOM 806 CG2 VAL A 50 18.077 6.633 -5.069 1.00 0.00 C ATOM 0 H VAL A 50 18.462 4.150 -2.669 1.00 0.00 H new ATOM 0 HA VAL A 50 20.549 5.875 -3.903 1.00 0.00 H new ATOM 0 HB VAL A 50 17.872 6.761 -2.925 1.00 0.00 H new ATOM 0 HG11 VAL A 50 18.564 8.978 -3.909 1.00 0.00 H new ATOM 0 HG12 VAL A 50 19.657 8.442 -2.612 1.00 0.00 H new ATOM 0 HG13 VAL A 50 20.146 8.272 -4.315 1.00 0.00 H new ATOM 0 HG21 VAL A 50 17.379 7.441 -5.290 1.00 0.00 H new ATOM 0 HG22 VAL A 50 18.880 6.635 -5.806 1.00 0.00 H new ATOM 0 HG23 VAL A 50 17.551 5.679 -5.108 1.00 0.00 H new ATOM 816 N GLU A 51 21.213 6.493 -1.497 1.00 0.00 N ATOM 817 CA GLU A 51 21.814 6.563 -0.169 1.00 0.00 C ATOM 818 C GLU A 51 22.154 8.017 0.160 1.00 0.00 C ATOM 819 O GLU A 51 22.563 8.791 -0.715 1.00 0.00 O ATOM 820 CB GLU A 51 23.053 5.655 -0.118 1.00 0.00 C ATOM 821 CG GLU A 51 23.807 5.765 1.218 1.00 0.00 C ATOM 822 CD GLU A 51 24.878 4.676 1.345 1.00 0.00 C ATOM 823 OE1 GLU A 51 24.535 3.506 1.619 1.00 0.00 O ATOM 824 OE2 GLU A 51 26.074 4.957 1.110 1.00 0.00 O ATOM 0 H GLU A 51 21.729 7.028 -2.196 1.00 0.00 H new ATOM 0 HA GLU A 51 21.111 6.207 0.585 1.00 0.00 H new ATOM 0 HB2 GLU A 51 22.748 4.620 -0.276 1.00 0.00 H new ATOM 0 HB3 GLU A 51 23.726 5.917 -0.934 1.00 0.00 H new ATOM 0 HG2 GLU A 51 24.273 6.747 1.295 1.00 0.00 H new ATOM 0 HG3 GLU A 51 23.101 5.682 2.044 1.00 0.00 H new ATOM 831 N PHE A 52 21.969 8.353 1.439 1.00 0.00 N ATOM 832 CA PHE A 52 22.012 9.684 2.019 1.00 0.00 C ATOM 833 C PHE A 52 22.828 9.674 3.313 1.00 0.00 C ATOM 834 O PHE A 52 23.090 8.632 3.919 1.00 0.00 O ATOM 835 CB PHE A 52 20.572 10.141 2.321 1.00 0.00 C ATOM 836 CG PHE A 52 19.917 10.935 1.211 1.00 0.00 C ATOM 837 CD1 PHE A 52 19.615 10.332 -0.023 1.00 0.00 C ATOM 838 CD2 PHE A 52 19.632 12.298 1.409 1.00 0.00 C ATOM 839 CE1 PHE A 52 19.084 11.103 -1.070 1.00 0.00 C ATOM 840 CE2 PHE A 52 19.078 13.064 0.371 1.00 0.00 C ATOM 841 CZ PHE A 52 18.828 12.470 -0.877 1.00 0.00 C ATOM 0 H PHE A 52 21.771 7.643 2.144 1.00 0.00 H new ATOM 0 HA PHE A 52 22.484 10.370 1.315 1.00 0.00 H new ATOM 0 HB2 PHE A 52 19.962 9.262 2.530 1.00 0.00 H new ATOM 0 HB3 PHE A 52 20.579 10.746 3.227 1.00 0.00 H new ATOM 0 HD1 PHE A 52 19.791 9.276 -0.166 1.00 0.00 H new ATOM 0 HD2 PHE A 52 19.840 12.757 2.364 1.00 0.00 H new ATOM 0 HE1 PHE A 52 18.872 10.644 -2.024 1.00 0.00 H new ATOM 0 HE2 PHE A 52 18.845 14.106 0.532 1.00 0.00 H new ATOM 0 HZ PHE A 52 18.438 13.066 -1.689 1.00 0.00 H new ATOM 851 N THR A 53 23.200 10.874 3.743 1.00 0.00 N ATOM 852 CA THR A 53 23.880 11.178 4.991 1.00 0.00 C ATOM 853 C THR A 53 23.004 10.844 6.199 1.00 0.00 C ATOM 854 O THR A 53 23.476 10.190 7.130 1.00 0.00 O ATOM 855 CB THR A 53 24.232 12.678 4.977 1.00 0.00 C ATOM 856 OG1 THR A 53 25.100 12.968 3.895 1.00 0.00 O ATOM 857 CG2 THR A 53 24.877 13.144 6.285 1.00 0.00 C ATOM 0 H THR A 53 23.022 11.713 3.191 1.00 0.00 H new ATOM 0 HA THR A 53 24.782 10.572 5.077 1.00 0.00 H new ATOM 0 HB THR A 53 23.293 13.219 4.861 1.00 0.00 H new ATOM 0 HG1 THR A 53 24.586 12.992 3.061 1.00 0.00 H new ATOM 0 HG21 THR A 53 25.104 14.208 6.220 1.00 0.00 H new ATOM 0 HG22 THR A 53 24.189 12.970 7.112 1.00 0.00 H new ATOM 0 HG23 THR A 53 25.798 12.586 6.456 1.00 0.00 H new ATOM 865 N THR A 54 21.742 11.274 6.185 1.00 0.00 N ATOM 866 CA THR A 54 20.886 11.223 7.355 1.00 0.00 C ATOM 867 C THR A 54 19.469 10.850 6.953 1.00 0.00 C ATOM 868 O THR A 54 18.983 11.210 5.879 1.00 0.00 O ATOM 869 CB THR A 54 20.926 12.579 8.096 1.00 0.00 C ATOM 870 OG1 THR A 54 21.277 13.664 7.243 1.00 0.00 O ATOM 871 CG2 THR A 54 21.935 12.545 9.243 1.00 0.00 C ATOM 0 H THR A 54 21.291 11.666 5.359 1.00 0.00 H new ATOM 0 HA THR A 54 21.251 10.455 8.037 1.00 0.00 H new ATOM 0 HB THR A 54 19.915 12.737 8.472 1.00 0.00 H new ATOM 0 HG1 THR A 54 21.286 14.497 7.760 1.00 0.00 H new ATOM 0 HG21 THR A 54 21.944 13.511 9.748 1.00 0.00 H new ATOM 0 HG22 THR A 54 21.653 11.767 9.952 1.00 0.00 H new ATOM 0 HG23 THR A 54 22.928 12.333 8.848 1.00 0.00 H new ATOM 879 N GLU A 55 18.814 10.144 7.868 1.00 0.00 N ATOM 880 CA GLU A 55 17.467 9.600 7.728 1.00 0.00 C ATOM 881 C GLU A 55 16.439 10.717 7.516 1.00 0.00 C ATOM 882 O GLU A 55 15.441 10.541 6.819 1.00 0.00 O ATOM 883 CB GLU A 55 17.082 8.776 8.973 1.00 0.00 C ATOM 884 CG GLU A 55 18.107 7.722 9.432 1.00 0.00 C ATOM 885 CD GLU A 55 19.094 8.257 10.489 1.00 0.00 C ATOM 886 OE1 GLU A 55 19.997 9.048 10.133 1.00 0.00 O ATOM 887 OE2 GLU A 55 18.978 7.881 11.677 1.00 0.00 O ATOM 0 H GLU A 55 19.229 9.924 8.774 1.00 0.00 H new ATOM 0 HA GLU A 55 17.464 8.951 6.852 1.00 0.00 H new ATOM 0 HB2 GLU A 55 16.905 9.465 9.799 1.00 0.00 H new ATOM 0 HB3 GLU A 55 16.137 8.271 8.771 1.00 0.00 H new ATOM 0 HG2 GLU A 55 17.576 6.862 9.841 1.00 0.00 H new ATOM 0 HG3 GLU A 55 18.667 7.368 8.567 1.00 0.00 H new ATOM 894 N LEU A 56 16.682 11.887 8.118 1.00 0.00 N ATOM 895 CA LEU A 56 15.832 13.061 7.952 1.00 0.00 C ATOM 896 C LEU A 56 15.927 13.586 6.520 1.00 0.00 C ATOM 897 O LEU A 56 14.928 14.052 5.974 1.00 0.00 O ATOM 898 CB LEU A 56 16.246 14.165 8.942 1.00 0.00 C ATOM 899 CG LEU A 56 15.555 14.073 10.318 1.00 0.00 C ATOM 900 CD1 LEU A 56 15.883 12.781 11.080 1.00 0.00 C ATOM 901 CD2 LEU A 56 15.963 15.275 11.177 1.00 0.00 C ATOM 0 H LEU A 56 17.479 12.042 8.736 1.00 0.00 H new ATOM 0 HA LEU A 56 14.801 12.772 8.155 1.00 0.00 H new ATOM 0 HB2 LEU A 56 17.325 14.121 9.087 1.00 0.00 H new ATOM 0 HB3 LEU A 56 16.023 15.136 8.500 1.00 0.00 H new ATOM 0 HG LEU A 56 14.482 14.070 10.128 1.00 0.00 H new ATOM 0 HD11 LEU A 56 15.364 12.782 12.039 1.00 0.00 H new ATOM 0 HD12 LEU A 56 15.560 11.921 10.494 1.00 0.00 H new ATOM 0 HD13 LEU A 56 16.958 12.721 11.249 1.00 0.00 H new ATOM 0 HD21 LEU A 56 15.475 15.210 12.149 1.00 0.00 H new ATOM 0 HD22 LEU A 56 17.044 15.274 11.313 1.00 0.00 H new ATOM 0 HD23 LEU A 56 15.660 16.197 10.680 1.00 0.00 H new ATOM 913 N GLN A 57 17.111 13.520 5.902 1.00 0.00 N ATOM 914 CA GLN A 57 17.311 14.077 4.572 1.00 0.00 C ATOM 915 C GLN A 57 16.823 13.101 3.504 1.00 0.00 C ATOM 916 O GLN A 57 16.189 13.551 2.547 1.00 0.00 O ATOM 917 CB GLN A 57 18.770 14.503 4.374 1.00 0.00 C ATOM 918 CG GLN A 57 19.143 15.616 5.368 1.00 0.00 C ATOM 919 CD GLN A 57 20.401 16.359 4.934 1.00 0.00 C ATOM 920 OE1 GLN A 57 20.330 17.412 4.308 1.00 0.00 O ATOM 921 NE2 GLN A 57 21.575 15.824 5.226 1.00 0.00 N ATOM 0 H GLN A 57 17.941 13.086 6.306 1.00 0.00 H new ATOM 0 HA GLN A 57 16.710 14.980 4.469 1.00 0.00 H new ATOM 0 HB2 GLN A 57 19.428 13.646 4.515 1.00 0.00 H new ATOM 0 HB3 GLN A 57 18.918 14.854 3.353 1.00 0.00 H new ATOM 0 HG2 GLN A 57 18.315 16.320 5.454 1.00 0.00 H new ATOM 0 HG3 GLN A 57 19.298 15.184 6.357 1.00 0.00 H new ATOM 0 HE21 GLN A 57 21.621 14.948 5.747 1.00 0.00 H new ATOM 0 HE22 GLN A 57 22.434 16.287 4.930 1.00 0.00 H new ATOM 930 N SER A 58 17.023 11.788 3.668 1.00 0.00 N ATOM 931 CA SER A 58 16.375 10.821 2.786 1.00 0.00 C ATOM 932 C SER A 58 14.853 10.942 2.909 1.00 0.00 C ATOM 933 O SER A 58 14.164 10.906 1.894 1.00 0.00 O ATOM 934 CB SER A 58 16.828 9.396 3.098 1.00 0.00 C ATOM 935 OG SER A 58 16.745 9.148 4.482 1.00 0.00 O ATOM 0 H SER A 58 17.617 11.380 4.390 1.00 0.00 H new ATOM 0 HA SER A 58 16.668 11.043 1.760 1.00 0.00 H new ATOM 0 HB2 SER A 58 16.207 8.683 2.556 1.00 0.00 H new ATOM 0 HB3 SER A 58 17.853 9.250 2.756 1.00 0.00 H new ATOM 0 HG SER A 58 16.388 8.248 4.632 1.00 0.00 H new ATOM 941 N ASN A 59 14.317 11.141 4.122 1.00 0.00 N ATOM 942 CA ASN A 59 12.888 11.374 4.320 1.00 0.00 C ATOM 943 C ASN A 59 12.410 12.612 3.563 1.00 0.00 C ATOM 944 O ASN A 59 11.402 12.551 2.867 1.00 0.00 O ATOM 945 CB ASN A 59 12.552 11.491 5.812 1.00 0.00 C ATOM 946 CG ASN A 59 11.095 11.893 6.023 1.00 0.00 C ATOM 947 OD1 ASN A 59 10.177 11.174 5.644 1.00 0.00 O ATOM 948 ND2 ASN A 59 10.853 13.041 6.631 1.00 0.00 N ATOM 0 H ASN A 59 14.861 11.144 4.985 1.00 0.00 H new ATOM 0 HA ASN A 59 12.359 10.511 3.915 1.00 0.00 H new ATOM 0 HB2 ASN A 59 12.744 10.538 6.306 1.00 0.00 H new ATOM 0 HB3 ASN A 59 13.206 12.229 6.277 1.00 0.00 H new ATOM 0 HD21 ASN A 59 9.891 13.340 6.791 1.00 0.00 H new ATOM 0 HD22 ASN A 59 11.628 13.628 6.940 1.00 0.00 H new ATOM 955 N ALA A 60 13.142 13.722 3.648 1.00 0.00 N ATOM 956 CA ALA A 60 12.796 14.934 2.909 1.00 0.00 C ATOM 957 C ALA A 60 12.802 14.679 1.400 1.00 0.00 C ATOM 958 O ALA A 60 11.876 15.084 0.697 1.00 0.00 O ATOM 959 CB ALA A 60 13.748 16.072 3.288 1.00 0.00 C ATOM 0 H ALA A 60 13.980 13.806 4.223 1.00 0.00 H new ATOM 0 HA ALA A 60 11.783 15.231 3.182 1.00 0.00 H new ATOM 0 HB1 ALA A 60 13.481 16.970 2.731 1.00 0.00 H new ATOM 0 HB2 ALA A 60 13.670 16.271 4.357 1.00 0.00 H new ATOM 0 HB3 ALA A 60 14.772 15.786 3.046 1.00 0.00 H new ATOM 965 N ALA A 61 13.815 13.968 0.904 1.00 0.00 N ATOM 966 CA ALA A 61 13.921 13.620 -0.505 1.00 0.00 C ATOM 967 C ALA A 61 12.776 12.697 -0.939 1.00 0.00 C ATOM 968 O ALA A 61 12.231 12.859 -2.029 1.00 0.00 O ATOM 969 CB ALA A 61 15.276 12.963 -0.774 1.00 0.00 C ATOM 0 H ALA A 61 14.585 13.618 1.474 1.00 0.00 H new ATOM 0 HA ALA A 61 13.845 14.535 -1.093 1.00 0.00 H new ATOM 0 HB1 ALA A 61 15.351 12.704 -1.830 1.00 0.00 H new ATOM 0 HB2 ALA A 61 16.075 13.657 -0.513 1.00 0.00 H new ATOM 0 HB3 ALA A 61 15.368 12.060 -0.171 1.00 0.00 H new ATOM 975 N LYS A 62 12.382 11.749 -0.083 1.00 0.00 N ATOM 976 CA LYS A 62 11.248 10.862 -0.310 1.00 0.00 C ATOM 977 C LYS A 62 9.979 11.694 -0.460 1.00 0.00 C ATOM 978 O LYS A 62 9.281 11.549 -1.460 1.00 0.00 O ATOM 979 CB LYS A 62 11.164 9.833 0.833 1.00 0.00 C ATOM 980 CG LYS A 62 9.950 8.902 0.725 1.00 0.00 C ATOM 981 CD LYS A 62 9.945 7.887 1.874 1.00 0.00 C ATOM 982 CE LYS A 62 8.764 6.924 1.710 1.00 0.00 C ATOM 983 NZ LYS A 62 8.611 6.033 2.881 1.00 0.00 N ATOM 0 H LYS A 62 12.855 11.577 0.804 1.00 0.00 H new ATOM 0 HA LYS A 62 11.374 10.299 -1.235 1.00 0.00 H new ATOM 0 HB2 LYS A 62 12.074 9.233 0.839 1.00 0.00 H new ATOM 0 HB3 LYS A 62 11.124 10.361 1.786 1.00 0.00 H new ATOM 0 HG2 LYS A 62 9.032 9.489 0.747 1.00 0.00 H new ATOM 0 HG3 LYS A 62 9.971 8.378 -0.230 1.00 0.00 H new ATOM 0 HD2 LYS A 62 10.882 7.330 1.884 1.00 0.00 H new ATOM 0 HD3 LYS A 62 9.873 8.406 2.830 1.00 0.00 H new ATOM 0 HE2 LYS A 62 7.847 7.496 1.567 1.00 0.00 H new ATOM 0 HE3 LYS A 62 8.908 6.322 0.813 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 7.834 5.364 2.709 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 9.494 5.506 3.034 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 8.397 6.602 3.725 1.00 0.00 H new ATOM 997 N GLU A 63 9.704 12.594 0.484 1.00 0.00 N ATOM 998 CA GLU A 63 8.524 13.454 0.431 1.00 0.00 C ATOM 999 C GLU A 63 8.523 14.295 -0.853 1.00 0.00 C ATOM 1000 O GLU A 63 7.471 14.507 -1.459 1.00 0.00 O ATOM 1001 CB GLU A 63 8.482 14.364 1.673 1.00 0.00 C ATOM 1002 CG GLU A 63 8.200 13.618 2.987 1.00 0.00 C ATOM 1003 CD GLU A 63 6.735 13.160 3.098 1.00 0.00 C ATOM 1004 OE1 GLU A 63 5.878 13.955 3.548 1.00 0.00 O ATOM 1005 OE2 GLU A 63 6.424 11.997 2.756 1.00 0.00 O ATOM 0 H GLU A 63 10.291 12.746 1.304 1.00 0.00 H new ATOM 0 HA GLU A 63 7.633 12.826 0.424 1.00 0.00 H new ATOM 0 HB2 GLU A 63 9.435 14.885 1.761 1.00 0.00 H new ATOM 0 HB3 GLU A 63 7.715 15.125 1.527 1.00 0.00 H new ATOM 0 HG2 GLU A 63 8.856 12.750 3.057 1.00 0.00 H new ATOM 0 HG3 GLU A 63 8.440 14.267 3.829 1.00 0.00 H new ATOM 1012 N ALA A 64 9.703 14.755 -1.274 1.00 0.00 N ATOM 1013 CA ALA A 64 9.868 15.624 -2.428 1.00 0.00 C ATOM 1014 C ALA A 64 9.697 14.903 -3.771 1.00 0.00 C ATOM 1015 O ALA A 64 9.172 15.512 -4.706 1.00 0.00 O ATOM 1016 CB ALA A 64 11.266 16.240 -2.369 1.00 0.00 C ATOM 0 H ALA A 64 10.582 14.527 -0.811 1.00 0.00 H new ATOM 0 HA ALA A 64 9.084 16.380 -2.379 1.00 0.00 H new ATOM 0 HB1 ALA A 64 11.411 16.896 -3.227 1.00 0.00 H new ATOM 0 HB2 ALA A 64 11.371 16.816 -1.450 1.00 0.00 H new ATOM 0 HB3 ALA A 64 12.014 15.447 -2.388 1.00 0.00 H new ATOM 1022 N LEU A 65 10.132 13.640 -3.892 1.00 0.00 N ATOM 1023 CA LEU A 65 10.222 12.948 -5.184 1.00 0.00 C ATOM 1024 C LEU A 65 9.322 11.719 -5.300 1.00 0.00 C ATOM 1025 O LEU A 65 9.258 11.131 -6.381 1.00 0.00 O ATOM 1026 CB LEU A 65 11.687 12.589 -5.507 1.00 0.00 C ATOM 1027 CG LEU A 65 12.623 13.784 -5.777 1.00 0.00 C ATOM 1028 CD1 LEU A 65 14.037 13.263 -6.057 1.00 0.00 C ATOM 1029 CD2 LEU A 65 12.178 14.638 -6.971 1.00 0.00 C ATOM 0 H LEU A 65 10.430 13.072 -3.099 1.00 0.00 H new ATOM 0 HA LEU A 65 9.849 13.654 -5.926 1.00 0.00 H new ATOM 0 HB2 LEU A 65 12.093 12.014 -4.675 1.00 0.00 H new ATOM 0 HB3 LEU A 65 11.698 11.937 -6.381 1.00 0.00 H new ATOM 0 HG LEU A 65 12.594 14.415 -4.889 1.00 0.00 H new ATOM 0 HD11 LEU A 65 14.703 14.104 -6.249 1.00 0.00 H new ATOM 0 HD12 LEU A 65 14.397 12.705 -5.193 1.00 0.00 H new ATOM 0 HD13 LEU A 65 14.018 12.609 -6.929 1.00 0.00 H new ATOM 0 HD21 LEU A 65 12.877 15.463 -7.109 1.00 0.00 H new ATOM 0 HD22 LEU A 65 12.159 14.023 -7.871 1.00 0.00 H new ATOM 0 HD23 LEU A 65 11.181 15.036 -6.782 1.00 0.00 H new ATOM 1041 N GLN A 66 8.582 11.329 -4.258 1.00 0.00 N ATOM 1042 CA GLN A 66 7.523 10.340 -4.446 1.00 0.00 C ATOM 1043 C GLN A 66 6.530 10.865 -5.490 1.00 0.00 C ATOM 1044 O GLN A 66 6.064 12.005 -5.412 1.00 0.00 O ATOM 1045 CB GLN A 66 6.795 10.005 -3.137 1.00 0.00 C ATOM 1046 CG GLN A 66 7.489 8.880 -2.355 1.00 0.00 C ATOM 1047 CD GLN A 66 6.659 8.441 -1.142 1.00 0.00 C ATOM 1048 OE1 GLN A 66 6.009 9.243 -0.477 1.00 0.00 O ATOM 1049 NE2 GLN A 66 6.635 7.156 -0.825 1.00 0.00 N ATOM 0 H GLN A 66 8.692 11.672 -3.304 1.00 0.00 H new ATOM 0 HA GLN A 66 7.982 9.414 -4.794 1.00 0.00 H new ATOM 0 HB2 GLN A 66 6.742 10.898 -2.514 1.00 0.00 H new ATOM 0 HB3 GLN A 66 5.769 9.711 -3.359 1.00 0.00 H new ATOM 0 HG2 GLN A 66 7.653 8.026 -3.013 1.00 0.00 H new ATOM 0 HG3 GLN A 66 8.470 9.219 -2.022 1.00 0.00 H new ATOM 0 HE21 GLN A 66 7.173 6.485 -1.374 1.00 0.00 H new ATOM 0 HE22 GLN A 66 6.079 6.837 -0.032 1.00 0.00 H new ATOM 1058 N GLY A 67 6.210 10.013 -6.463 1.00 0.00 N ATOM 1059 CA GLY A 67 5.294 10.303 -7.556 1.00 0.00 C ATOM 1060 C GLY A 67 5.927 11.135 -8.678 1.00 0.00 C ATOM 1061 O GLY A 67 5.213 11.533 -9.600 1.00 0.00 O ATOM 0 H GLY A 67 6.597 9.070 -6.510 1.00 0.00 H new ATOM 0 HA2 GLY A 67 4.928 9.364 -7.972 1.00 0.00 H new ATOM 0 HA3 GLY A 67 4.428 10.836 -7.163 1.00 0.00 H new ATOM 1065 N PHE A 68 7.232 11.427 -8.619 1.00 0.00 N ATOM 1066 CA PHE A 68 7.897 12.283 -9.596 1.00 0.00 C ATOM 1067 C PHE A 68 8.021 11.530 -10.917 1.00 0.00 C ATOM 1068 O PHE A 68 8.630 10.461 -10.956 1.00 0.00 O ATOM 1069 CB PHE A 68 9.276 12.700 -9.068 1.00 0.00 C ATOM 1070 CG PHE A 68 10.049 13.613 -9.999 1.00 0.00 C ATOM 1071 CD1 PHE A 68 9.855 15.007 -9.943 1.00 0.00 C ATOM 1072 CD2 PHE A 68 10.961 13.070 -10.925 1.00 0.00 C ATOM 1073 CE1 PHE A 68 10.570 15.853 -10.809 1.00 0.00 C ATOM 1074 CE2 PHE A 68 11.669 13.917 -11.794 1.00 0.00 C ATOM 1075 CZ PHE A 68 11.476 15.309 -11.736 1.00 0.00 C ATOM 0 H PHE A 68 7.853 11.074 -7.891 1.00 0.00 H new ATOM 0 HA PHE A 68 7.311 13.187 -9.761 1.00 0.00 H new ATOM 0 HB2 PHE A 68 9.149 13.202 -8.109 1.00 0.00 H new ATOM 0 HB3 PHE A 68 9.868 11.804 -8.883 1.00 0.00 H new ATOM 0 HD1 PHE A 68 9.156 15.426 -9.234 1.00 0.00 H new ATOM 0 HD2 PHE A 68 11.116 12.002 -10.967 1.00 0.00 H new ATOM 0 HE1 PHE A 68 10.423 16.922 -10.762 1.00 0.00 H new ATOM 0 HE2 PHE A 68 12.363 13.498 -12.508 1.00 0.00 H new ATOM 0 HZ PHE A 68 12.023 15.959 -12.403 1.00 0.00 H new ATOM 1085 N LYS A 69 7.467 12.068 -12.006 1.00 0.00 N ATOM 1086 CA LYS A 69 7.679 11.512 -13.344 1.00 0.00 C ATOM 1087 C LYS A 69 9.155 11.649 -13.691 1.00 0.00 C ATOM 1088 O LYS A 69 9.616 12.754 -13.982 1.00 0.00 O ATOM 1089 CB LYS A 69 6.818 12.215 -14.414 1.00 0.00 C ATOM 1090 CG LYS A 69 5.573 11.413 -14.808 1.00 0.00 C ATOM 1091 CD LYS A 69 4.525 11.277 -13.697 1.00 0.00 C ATOM 1092 CE LYS A 69 3.479 10.213 -14.062 1.00 0.00 C ATOM 1093 NZ LYS A 69 2.565 10.629 -15.158 1.00 0.00 N ATOM 0 H LYS A 69 6.866 12.892 -11.987 1.00 0.00 H new ATOM 0 HA LYS A 69 7.377 10.465 -13.335 1.00 0.00 H new ATOM 0 HB2 LYS A 69 6.510 13.191 -14.040 1.00 0.00 H new ATOM 0 HB3 LYS A 69 7.425 12.391 -15.302 1.00 0.00 H new ATOM 0 HG2 LYS A 69 5.108 11.889 -15.672 1.00 0.00 H new ATOM 0 HG3 LYS A 69 5.883 10.416 -15.121 1.00 0.00 H new ATOM 0 HD2 LYS A 69 5.014 11.007 -12.761 1.00 0.00 H new ATOM 0 HD3 LYS A 69 4.033 12.236 -13.535 1.00 0.00 H new ATOM 0 HE2 LYS A 69 3.992 9.297 -14.356 1.00 0.00 H new ATOM 0 HE3 LYS A 69 2.888 9.978 -13.177 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 1.718 10.025 -15.152 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 2.284 11.621 -15.018 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 3.052 10.533 -16.072 1.00 0.00 H new ATOM 1107 N ILE A 70 9.886 10.536 -13.674 1.00 0.00 N ATOM 1108 CA ILE A 70 11.245 10.516 -14.210 1.00 0.00 C ATOM 1109 C ILE A 70 11.071 10.659 -15.733 1.00 0.00 C ATOM 1110 O ILE A 70 11.750 11.473 -16.362 1.00 0.00 O ATOM 1111 CB ILE A 70 11.982 9.237 -13.787 1.00 0.00 C ATOM 1112 CG1 ILE A 70 12.094 9.135 -12.252 1.00 0.00 C ATOM 1113 CG2 ILE A 70 13.388 9.234 -14.402 1.00 0.00 C ATOM 1114 CD1 ILE A 70 12.523 7.744 -11.778 1.00 0.00 C ATOM 0 H ILE A 70 9.564 9.644 -13.299 1.00 0.00 H new ATOM 0 HA ILE A 70 11.870 11.322 -13.825 1.00 0.00 H new ATOM 0 HB ILE A 70 11.412 8.380 -14.145 1.00 0.00 H new ATOM 0 HG12 ILE A 70 12.813 9.873 -11.895 1.00 0.00 H new ATOM 0 HG13 ILE A 70 11.132 9.385 -11.805 1.00 0.00 H new ATOM 0 HG21 ILE A 70 13.914 8.327 -14.103 1.00 0.00 H new ATOM 0 HG22 ILE A 70 13.310 9.267 -15.489 1.00 0.00 H new ATOM 0 HG23 ILE A 70 13.940 10.106 -14.051 1.00 0.00 H new ATOM 0 HD11 ILE A 70 12.585 7.733 -10.690 1.00 0.00 H new ATOM 0 HD12 ILE A 70 11.792 7.006 -12.107 1.00 0.00 H new ATOM 0 HD13 ILE A 70 13.499 7.501 -12.199 1.00 0.00 H new ATOM 1126 N THR A 71 10.103 9.932 -16.302 1.00 0.00 N ATOM 1127 CA THR A 71 9.616 10.086 -17.665 1.00 0.00 C ATOM 1128 C THR A 71 8.085 10.067 -17.584 1.00 0.00 C ATOM 1129 O THR A 71 7.566 9.613 -16.560 1.00 0.00 O ATOM 1130 CB THR A 71 10.183 8.991 -18.586 1.00 0.00 C ATOM 1131 OG1 THR A 71 9.960 7.708 -18.040 1.00 0.00 O ATOM 1132 CG2 THR A 71 11.686 9.157 -18.828 1.00 0.00 C ATOM 0 H THR A 71 9.620 9.189 -15.797 1.00 0.00 H new ATOM 0 HA THR A 71 9.950 11.025 -18.107 1.00 0.00 H new ATOM 0 HB THR A 71 9.660 9.093 -19.537 1.00 0.00 H new ATOM 0 HG1 THR A 71 10.327 7.028 -18.643 1.00 0.00 H new ATOM 0 HG21 THR A 71 12.039 8.361 -19.483 1.00 0.00 H new ATOM 0 HG22 THR A 71 11.875 10.123 -19.296 1.00 0.00 H new ATOM 0 HG23 THR A 71 12.216 9.105 -17.877 1.00 0.00 H new ATOM 1140 N PRO A 72 7.346 10.555 -18.604 1.00 0.00 N ATOM 1141 CA PRO A 72 5.900 10.788 -18.549 1.00 0.00 C ATOM 1142 C PRO A 72 5.018 9.669 -17.986 1.00 0.00 C ATOM 1143 O PRO A 72 3.915 9.963 -17.522 1.00 0.00 O ATOM 1144 CB PRO A 72 5.486 11.137 -19.980 1.00 0.00 C ATOM 1145 CG PRO A 72 6.724 11.846 -20.521 1.00 0.00 C ATOM 1146 CD PRO A 72 7.867 11.071 -19.867 1.00 0.00 C ATOM 0 HA PRO A 72 5.732 11.582 -17.822 1.00 0.00 H new ATOM 0 HB2 PRO A 72 5.243 10.247 -20.560 1.00 0.00 H new ATOM 0 HB3 PRO A 72 4.607 11.782 -20.002 1.00 0.00 H new ATOM 0 HG2 PRO A 72 6.774 11.800 -21.609 1.00 0.00 H new ATOM 0 HG3 PRO A 72 6.740 12.900 -20.245 1.00 0.00 H new ATOM 0 HD2 PRO A 72 8.202 10.257 -20.510 1.00 0.00 H new ATOM 0 HD3 PRO A 72 8.727 11.718 -19.697 1.00 0.00 H new ATOM 1154 N THR A 73 5.473 8.416 -17.986 1.00 0.00 N ATOM 1155 CA THR A 73 4.696 7.248 -17.588 1.00 0.00 C ATOM 1156 C THR A 73 5.382 6.453 -16.465 1.00 0.00 C ATOM 1157 O THR A 73 4.943 5.350 -16.133 1.00 0.00 O ATOM 1158 CB THR A 73 4.419 6.404 -18.851 1.00 0.00 C ATOM 1159 OG1 THR A 73 5.606 6.262 -19.617 1.00 0.00 O ATOM 1160 CG2 THR A 73 3.358 7.067 -19.740 1.00 0.00 C ATOM 0 H THR A 73 6.423 8.181 -18.273 1.00 0.00 H new ATOM 0 HA THR A 73 3.744 7.561 -17.159 1.00 0.00 H new ATOM 0 HB THR A 73 4.060 5.430 -18.518 1.00 0.00 H new ATOM 0 HG1 THR A 73 5.418 5.724 -20.414 1.00 0.00 H new ATOM 0 HG21 THR A 73 3.184 6.450 -20.621 1.00 0.00 H new ATOM 0 HG22 THR A 73 2.428 7.171 -19.181 1.00 0.00 H new ATOM 0 HG23 THR A 73 3.707 8.052 -20.050 1.00 0.00 H new ATOM 1168 N HIS A 74 6.427 7.013 -15.841 1.00 0.00 N ATOM 1169 CA HIS A 74 7.215 6.358 -14.806 1.00 0.00 C ATOM 1170 C HIS A 74 7.334 7.309 -13.620 1.00 0.00 C ATOM 1171 O HIS A 74 8.349 7.984 -13.423 1.00 0.00 O ATOM 1172 CB HIS A 74 8.562 5.886 -15.364 1.00 0.00 C ATOM 1173 CG HIS A 74 8.429 4.777 -16.379 1.00 0.00 C ATOM 1174 ND1 HIS A 74 8.549 3.426 -16.135 1.00 0.00 N ATOM 1175 CD2 HIS A 74 8.165 4.919 -17.716 1.00 0.00 C ATOM 1176 CE1 HIS A 74 8.371 2.773 -17.295 1.00 0.00 C ATOM 1177 NE2 HIS A 74 8.132 3.642 -18.295 1.00 0.00 N ATOM 0 H HIS A 74 6.750 7.957 -16.052 1.00 0.00 H new ATOM 0 HA HIS A 74 6.722 5.452 -14.454 1.00 0.00 H new ATOM 0 HB2 HIS A 74 9.074 6.731 -15.824 1.00 0.00 H new ATOM 0 HB3 HIS A 74 9.189 5.543 -14.541 1.00 0.00 H new ATOM 0 HD1 HIS A 74 8.740 2.996 -15.230 1.00 0.00 H new ATOM 0 HD2 HIS A 74 8.009 5.853 -18.235 1.00 0.00 H new ATOM 0 HE1 HIS A 74 8.414 1.700 -17.410 1.00 0.00 H new ATOM 1185 N ALA A 75 6.234 7.400 -12.867 1.00 0.00 N ATOM 1186 CA ALA A 75 6.188 8.072 -11.580 1.00 0.00 C ATOM 1187 C ALA A 75 7.024 7.261 -10.588 1.00 0.00 C ATOM 1188 O ALA A 75 6.633 6.155 -10.206 1.00 0.00 O ATOM 1189 CB ALA A 75 4.736 8.186 -11.098 1.00 0.00 C ATOM 0 H ALA A 75 5.339 6.999 -13.146 1.00 0.00 H new ATOM 0 HA ALA A 75 6.593 9.081 -11.664 1.00 0.00 H new ATOM 0 HB1 ALA A 75 4.712 8.691 -10.132 1.00 0.00 H new ATOM 0 HB2 ALA A 75 4.156 8.759 -11.822 1.00 0.00 H new ATOM 0 HB3 ALA A 75 4.307 7.189 -10.997 1.00 0.00 H new ATOM 1195 N MET A 76 8.165 7.811 -10.188 1.00 0.00 N ATOM 1196 CA MET A 76 9.063 7.269 -9.184 1.00 0.00 C ATOM 1197 C MET A 76 8.318 6.918 -7.900 1.00 0.00 C ATOM 1198 O MET A 76 7.761 7.800 -7.243 1.00 0.00 O ATOM 1199 CB MET A 76 10.119 8.341 -8.879 1.00 0.00 C ATOM 1200 CG MET A 76 11.212 7.881 -7.911 1.00 0.00 C ATOM 1201 SD MET A 76 12.255 9.230 -7.298 1.00 0.00 S ATOM 1202 CE MET A 76 12.929 9.943 -8.822 1.00 0.00 C ATOM 0 H MET A 76 8.503 8.691 -10.577 1.00 0.00 H new ATOM 0 HA MET A 76 9.519 6.354 -9.563 1.00 0.00 H new ATOM 0 HB2 MET A 76 10.584 8.654 -9.814 1.00 0.00 H new ATOM 0 HB3 MET A 76 9.623 9.217 -8.461 1.00 0.00 H new ATOM 0 HG2 MET A 76 10.746 7.379 -7.063 1.00 0.00 H new ATOM 0 HG3 MET A 76 11.842 7.145 -8.411 1.00 0.00 H new ATOM 0 HE1 MET A 76 13.541 10.811 -8.578 1.00 0.00 H new ATOM 0 HE2 MET A 76 13.541 9.199 -9.332 1.00 0.00 H new ATOM 0 HE3 MET A 76 12.110 10.248 -9.474 1.00 0.00 H new ATOM 1212 N LYS A 77 8.319 5.643 -7.521 1.00 0.00 N ATOM 1213 CA LYS A 77 7.866 5.238 -6.200 1.00 0.00 C ATOM 1214 C LYS A 77 9.126 5.164 -5.345 1.00 0.00 C ATOM 1215 O LYS A 77 10.200 4.825 -5.850 1.00 0.00 O ATOM 1216 CB LYS A 77 7.193 3.867 -6.234 1.00 0.00 C ATOM 1217 CG LYS A 77 5.799 3.840 -6.874 1.00 0.00 C ATOM 1218 CD LYS A 77 5.006 2.575 -6.486 1.00 0.00 C ATOM 1219 CE LYS A 77 5.841 1.279 -6.507 1.00 0.00 C ATOM 1220 NZ LYS A 77 5.067 0.093 -6.065 1.00 0.00 N ATOM 0 H LYS A 77 8.630 4.873 -8.114 1.00 0.00 H new ATOM 0 HA LYS A 77 7.131 5.942 -5.810 1.00 0.00 H new ATOM 0 HB2 LYS A 77 7.838 3.177 -6.777 1.00 0.00 H new ATOM 0 HB3 LYS A 77 7.114 3.493 -5.213 1.00 0.00 H new ATOM 0 HG2 LYS A 77 5.242 4.725 -6.566 1.00 0.00 H new ATOM 0 HG3 LYS A 77 5.898 3.887 -7.959 1.00 0.00 H new ATOM 0 HD2 LYS A 77 4.591 2.711 -5.487 1.00 0.00 H new ATOM 0 HD3 LYS A 77 4.164 2.463 -7.169 1.00 0.00 H new ATOM 0 HE2 LYS A 77 6.215 1.108 -7.517 1.00 0.00 H new ATOM 0 HE3 LYS A 77 6.711 1.401 -5.862 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 5.678 -0.529 -5.499 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 4.258 0.401 -5.488 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 4.721 -0.426 -6.897 1.00 0.00 H new ATOM 1234 N ILE A 78 8.990 5.443 -4.054 1.00 0.00 N ATOM 1235 CA ILE A 78 10.084 5.434 -3.090 1.00 0.00 C ATOM 1236 C ILE A 78 9.541 4.730 -1.849 1.00 0.00 C ATOM 1237 O ILE A 78 8.409 4.999 -1.440 1.00 0.00 O ATOM 1238 CB ILE A 78 10.541 6.878 -2.756 1.00 0.00 C ATOM 1239 CG1 ILE A 78 10.839 7.732 -4.013 1.00 0.00 C ATOM 1240 CG2 ILE A 78 11.748 6.870 -1.800 1.00 0.00 C ATOM 1241 CD1 ILE A 78 11.233 9.183 -3.727 1.00 0.00 C ATOM 0 H ILE A 78 8.092 5.688 -3.638 1.00 0.00 H new ATOM 0 HA ILE A 78 10.960 4.920 -3.486 1.00 0.00 H new ATOM 0 HB ILE A 78 9.698 7.354 -2.254 1.00 0.00 H new ATOM 0 HG12 ILE A 78 11.643 7.257 -4.575 1.00 0.00 H new ATOM 0 HG13 ILE A 78 9.957 7.730 -4.654 1.00 0.00 H new ATOM 0 HG21 ILE A 78 12.047 7.895 -1.583 1.00 0.00 H new ATOM 0 HG22 ILE A 78 11.474 6.368 -0.872 1.00 0.00 H new ATOM 0 HG23 ILE A 78 12.579 6.341 -2.267 1.00 0.00 H new ATOM 0 HD11 ILE A 78 11.422 9.701 -4.667 1.00 0.00 H new ATOM 0 HD12 ILE A 78 10.423 9.682 -3.194 1.00 0.00 H new ATOM 0 HD13 ILE A 78 12.135 9.201 -3.115 1.00 0.00 H new ATOM 1253 N THR A 79 10.367 3.901 -1.224 1.00 0.00 N ATOM 1254 CA THR A 79 10.115 3.212 0.035 1.00 0.00 C ATOM 1255 C THR A 79 11.422 3.275 0.840 1.00 0.00 C ATOM 1256 O THR A 79 12.502 3.349 0.244 1.00 0.00 O ATOM 1257 CB THR A 79 9.636 1.767 -0.251 1.00 0.00 C ATOM 1258 OG1 THR A 79 10.199 1.206 -1.431 1.00 0.00 O ATOM 1259 CG2 THR A 79 8.124 1.715 -0.480 1.00 0.00 C ATOM 0 H THR A 79 11.286 3.678 -1.606 1.00 0.00 H new ATOM 0 HA THR A 79 9.321 3.678 0.618 1.00 0.00 H new ATOM 0 HB THR A 79 9.950 1.207 0.630 1.00 0.00 H new ATOM 0 HG1 THR A 79 10.817 0.485 -1.188 1.00 0.00 H new ATOM 0 HG21 THR A 79 7.821 0.687 -0.678 1.00 0.00 H new ATOM 0 HG22 THR A 79 7.609 2.080 0.408 1.00 0.00 H new ATOM 0 HG23 THR A 79 7.864 2.341 -1.334 1.00 0.00 H new ATOM 1267 N PHE A 80 11.370 3.296 2.175 1.00 0.00 N ATOM 1268 CA PHE A 80 12.599 3.280 2.969 1.00 0.00 C ATOM 1269 C PHE A 80 13.239 1.903 2.816 1.00 0.00 C ATOM 1270 O PHE A 80 12.595 0.896 3.120 1.00 0.00 O ATOM 1271 CB PHE A 80 12.328 3.606 4.447 1.00 0.00 C ATOM 1272 CG PHE A 80 12.050 5.073 4.715 1.00 0.00 C ATOM 1273 CD1 PHE A 80 13.054 6.034 4.484 1.00 0.00 C ATOM 1274 CD2 PHE A 80 10.797 5.484 5.206 1.00 0.00 C ATOM 1275 CE1 PHE A 80 12.792 7.400 4.688 1.00 0.00 C ATOM 1276 CE2 PHE A 80 10.540 6.848 5.434 1.00 0.00 C ATOM 1277 CZ PHE A 80 11.529 7.806 5.155 1.00 0.00 C ATOM 0 H PHE A 80 10.508 3.324 2.719 1.00 0.00 H new ATOM 0 HA PHE A 80 13.278 4.052 2.607 1.00 0.00 H new ATOM 0 HB2 PHE A 80 11.476 3.017 4.788 1.00 0.00 H new ATOM 0 HB3 PHE A 80 13.188 3.296 5.040 1.00 0.00 H new ATOM 0 HD1 PHE A 80 14.031 5.719 4.148 1.00 0.00 H new ATOM 0 HD2 PHE A 80 10.031 4.750 5.408 1.00 0.00 H new ATOM 0 HE1 PHE A 80 13.558 8.135 4.487 1.00 0.00 H new ATOM 0 HE2 PHE A 80 9.582 7.159 5.824 1.00 0.00 H new ATOM 0 HZ PHE A 80 11.319 8.856 5.299 1.00 0.00 H new ATOM 1287 N ALA A 81 14.492 1.852 2.353 1.00 0.00 N ATOM 1288 CA ALA A 81 15.273 0.621 2.375 1.00 0.00 C ATOM 1289 C ALA A 81 15.700 0.340 3.822 1.00 0.00 C ATOM 1290 O ALA A 81 15.346 1.085 4.741 1.00 0.00 O ATOM 1291 CB ALA A 81 16.481 0.737 1.435 1.00 0.00 C ATOM 0 H ALA A 81 14.984 2.654 1.958 1.00 0.00 H new ATOM 0 HA ALA A 81 14.672 -0.215 2.017 1.00 0.00 H new ATOM 0 HB1 ALA A 81 17.054 -0.190 1.463 1.00 0.00 H new ATOM 0 HB2 ALA A 81 16.134 0.919 0.418 1.00 0.00 H new ATOM 0 HB3 ALA A 81 17.114 1.564 1.756 1.00 0.00 H new ATOM 1297 N LYS A 82 16.513 -0.695 4.028 1.00 0.00 N ATOM 1298 CA LYS A 82 16.954 -1.142 5.354 1.00 0.00 C ATOM 1299 C LYS A 82 18.483 -1.151 5.431 1.00 0.00 C ATOM 1300 O LYS A 82 19.159 -0.880 4.435 1.00 0.00 O ATOM 1301 CB LYS A 82 16.346 -2.528 5.653 1.00 0.00 C ATOM 1302 CG LYS A 82 14.808 -2.505 5.599 1.00 0.00 C ATOM 1303 CD LYS A 82 14.170 -3.851 5.971 1.00 0.00 C ATOM 1304 CE LYS A 82 14.238 -4.128 7.481 1.00 0.00 C ATOM 1305 NZ LYS A 82 13.604 -5.421 7.843 1.00 0.00 N ATOM 0 H LYS A 82 16.892 -1.258 3.267 1.00 0.00 H new ATOM 0 HA LYS A 82 16.602 -0.448 6.117 1.00 0.00 H new ATOM 0 HB2 LYS A 82 16.724 -3.253 4.932 1.00 0.00 H new ATOM 0 HB3 LYS A 82 16.670 -2.861 6.639 1.00 0.00 H new ATOM 0 HG2 LYS A 82 14.438 -1.735 6.277 1.00 0.00 H new ATOM 0 HG3 LYS A 82 14.490 -2.225 4.595 1.00 0.00 H new ATOM 0 HD2 LYS A 82 13.129 -3.859 5.648 1.00 0.00 H new ATOM 0 HD3 LYS A 82 14.677 -4.652 5.433 1.00 0.00 H new ATOM 0 HE2 LYS A 82 15.280 -4.134 7.801 1.00 0.00 H new ATOM 0 HE3 LYS A 82 13.744 -3.319 8.020 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 13.673 -5.566 8.871 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 12.603 -5.407 7.562 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 14.091 -6.197 7.350 1.00 0.00 H new ATOM 1319 N LYS A 83 19.024 -1.460 6.609 1.00 0.00 N ATOM 1320 CA LYS A 83 20.445 -1.651 6.874 1.00 0.00 C ATOM 1321 C LYS A 83 20.557 -2.910 7.721 1.00 0.00 C ATOM 1322 O LYS A 83 19.699 -3.111 8.608 1.00 0.00 O ATOM 1323 CB LYS A 83 21.050 -0.449 7.620 1.00 0.00 C ATOM 1324 CG LYS A 83 21.115 0.824 6.760 1.00 0.00 C ATOM 1325 CD LYS A 83 21.950 1.941 7.408 1.00 0.00 C ATOM 1326 CE LYS A 83 21.339 2.457 8.721 1.00 0.00 C ATOM 1327 NZ LYS A 83 22.234 3.413 9.423 1.00 0.00 N ATOM 1328 OXT LYS A 83 21.485 -3.709 7.486 1.00 0.00 O ATOM 0 H LYS A 83 18.453 -1.590 7.444 1.00 0.00 H new ATOM 0 HA LYS A 83 20.997 -1.743 5.939 1.00 0.00 H new ATOM 0 HB2 LYS A 83 20.458 -0.247 8.513 1.00 0.00 H new ATOM 0 HB3 LYS A 83 22.055 -0.705 7.955 1.00 0.00 H new ATOM 0 HG2 LYS A 83 21.540 0.578 5.787 1.00 0.00 H new ATOM 0 HG3 LYS A 83 20.103 1.189 6.583 1.00 0.00 H new ATOM 0 HD2 LYS A 83 22.956 1.570 7.602 1.00 0.00 H new ATOM 0 HD3 LYS A 83 22.046 2.770 6.707 1.00 0.00 H new ATOM 0 HE2 LYS A 83 20.387 2.943 8.509 1.00 0.00 H new ATOM 0 HE3 LYS A 83 21.127 1.613 9.377 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 21.765 3.759 10.285 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 23.121 2.934 9.680 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 22.443 4.216 8.797 1.00 0.00 H new TER 1342 LYS A 83