USER MOD reduce.3.24.130724 H: found=0, std=0, add=773, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 774 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 81 LYS NZ :NH3+ -157:sc= -13.3! (180deg=-14.5!) USER MOD Set 1.2: A 93 TYR OH : rot 101:sc= -13.1! USER MOD Set 1.3: A 94 HIS : no HD1:sc= -32.2! C(o=-59!,f=-54!) USER MOD Set 2.1: A 62 LYS NZ :NH3+ 139:sc= -1.22! (180deg=-2.59!) USER MOD Set 2.2: A 64 TYR OH : rot -40:sc= -7.32! USER MOD Set 3.1: A 39 SER OG : rot -157:sc= -5.31! USER MOD Set 3.2: A 44 THR OG1 : rot -75:sc= -9.36! USER MOD Set 3.3: A 46 THR OG1 : rot 74:sc= -3.75! USER MOD Set 3.4: A 65 HIS : no HE2:sc= -28.1! C(o=-47!,f=-45!) USER MOD Set 4.1: A 13 ASN : amide:sc= -20.8! C(o=-51!,f=-50!) USER MOD Set 4.2: A 35 MET CE :methyl -151:sc= -30.5! (180deg=-21.6!) USER MOD Set 5.1: A 17 SER OG : rot 110:sc= 0.0756 USER MOD Set 5.2: A 20 LYS NZ :NH3+ -102:sc= -5.23! (180deg=-5.68!) USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 TYR OH : rot 153:sc= -3.94! USER MOD Single : A 12 TYR OH : rot 180:sc= -0.155 USER MOD Single : A 14 LYS NZ :NH3+ -123:sc= 0.0332 (180deg=0) USER MOD Single : A 15 SER OG : rot 180:sc= 0.0234 USER MOD Single : A 23 LYS NZ :NH3+ 142:sc= -0.933 (180deg=-3.23!) USER MOD Single : A 28 THR OG1 : rot 138:sc= -6.52! USER MOD Single : A 30 LYS NZ :NH3+ 158:sc= -12.7! (180deg=-14.5!) USER MOD Single : A 41 THR OG1 : rot -174:sc= -7.98! USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot -40:sc= -7.78! USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 CYS SG : rot 180:sc= 0 USER MOD Single : A 63 HIS : no HD1:sc= -22.9! C(o=-23!,f=-23!) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 77 TYR OH : rot 130:sc= -1.01! USER MOD Single : A 82 TYR OH : rot 2:sc= 1.04 USER MOD Single : A 86 SER OG : rot 180:sc=-0.00122 USER MOD Single : A 92 GLN : amide:sc= -6.52! C(o=-6.5!,f=-2.4!) USER MOD Single : A 95 GLN : amide:sc= -7.78! C(o=-7.8!,f=-5!) USER MOD Single : A 96 TYR OH : rot 180:sc= 0 USER MOD Single : A 97 ASN : amide:sc= -3.39! K(o=-3.4!,f=0.14) USER MOD Single : A 103 THR OG1 : rot 10:sc= -6.41! USER MOD Single : A 107 TYR OH : rot 180:sc= 0 USER MOD Single : A 110 CYS SG : rot -52:sc= 0.427 USER MOD ----------------------------------------------------------------- ATOM 35 N LEU A 6 -5.825 8.367 6.097 1.00 0.00 N ATOM 36 CA LEU A 6 -4.937 7.208 6.069 1.00 0.00 C ATOM 37 C LEU A 6 -3.655 7.463 6.857 1.00 0.00 C ATOM 38 O LEU A 6 -3.262 6.659 7.702 1.00 0.00 O ATOM 39 CB LEU A 6 -4.559 6.851 4.634 1.00 0.00 C ATOM 40 CG LEU A 6 -5.623 6.134 3.811 1.00 0.00 C ATOM 41 CD1 LEU A 6 -5.013 4.923 3.140 1.00 0.00 C ATOM 42 CD2 LEU A 6 -6.789 5.711 4.676 1.00 0.00 C ATOM 0 HA LEU A 6 -5.481 6.383 6.528 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -4.286 7.769 4.114 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -3.668 6.224 4.661 1.00 0.00 H new ATOM 0 HG LEU A 6 -5.997 6.824 3.055 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -5.774 4.411 2.552 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -4.201 5.240 2.485 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -4.623 4.244 3.899 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -7.532 5.202 4.062 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -6.438 5.035 5.455 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -7.239 6.591 5.136 1.00 0.00 H new ATOM 54 N GLU A 7 -2.994 8.573 6.545 1.00 0.00 N ATOM 55 CA GLU A 7 -1.739 8.937 7.194 1.00 0.00 C ATOM 56 C GLU A 7 -1.558 8.203 8.510 1.00 0.00 C ATOM 57 O GLU A 7 -0.460 7.752 8.839 1.00 0.00 O ATOM 58 CB GLU A 7 -1.670 10.448 7.419 1.00 0.00 C ATOM 59 CG GLU A 7 -3.027 11.087 7.665 1.00 0.00 C ATOM 60 CD GLU A 7 -3.026 12.578 7.390 1.00 0.00 C ATOM 61 OE1 GLU A 7 -3.146 12.965 6.209 1.00 0.00 O ATOM 62 OE2 GLU A 7 -2.906 13.360 8.358 1.00 0.00 O ATOM 0 H GLU A 7 -3.309 9.241 5.841 1.00 0.00 H new ATOM 0 HA GLU A 7 -0.927 8.640 6.530 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -1.022 10.651 8.271 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -1.209 10.916 6.549 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -3.772 10.605 7.032 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -3.325 10.912 8.699 1.00 0.00 H new ATOM 69 N THR A 8 -2.639 8.079 9.255 1.00 0.00 N ATOM 70 CA THR A 8 -2.609 7.389 10.531 1.00 0.00 C ATOM 71 C THR A 8 -1.807 6.102 10.415 1.00 0.00 C ATOM 72 O THR A 8 -1.347 5.549 11.415 1.00 0.00 O ATOM 73 CB THR A 8 -4.034 7.079 10.978 1.00 0.00 C ATOM 74 OG1 THR A 8 -4.114 5.784 11.546 1.00 0.00 O ATOM 75 CG2 THR A 8 -5.030 7.149 9.840 1.00 0.00 C ATOM 0 H THR A 8 -3.554 8.449 8.997 1.00 0.00 H new ATOM 0 HA THR A 8 -2.131 8.030 11.272 1.00 0.00 H new ATOM 0 HB THR A 8 -4.286 7.841 11.716 1.00 0.00 H new ATOM 0 HG1 THR A 8 -5.036 5.607 11.827 1.00 0.00 H new ATOM 0 HG21 THR A 8 -6.027 6.920 10.215 1.00 0.00 H new ATOM 0 HG22 THR A 8 -5.025 8.152 9.413 1.00 0.00 H new ATOM 0 HG23 THR A 8 -4.756 6.426 9.072 1.00 0.00 H new ATOM 83 N TYR A 9 -1.660 5.616 9.186 1.00 0.00 N ATOM 84 CA TYR A 9 -0.936 4.381 8.933 1.00 0.00 C ATOM 85 C TYR A 9 0.507 4.632 8.520 1.00 0.00 C ATOM 86 O TYR A 9 0.803 5.578 7.789 1.00 0.00 O ATOM 87 CB TYR A 9 -1.664 3.604 7.852 1.00 0.00 C ATOM 88 CG TYR A 9 -3.142 3.574 8.117 1.00 0.00 C ATOM 89 CD1 TYR A 9 -3.656 2.778 9.126 1.00 0.00 C ATOM 90 CD2 TYR A 9 -4.016 4.370 7.390 1.00 0.00 C ATOM 91 CE1 TYR A 9 -5.003 2.766 9.404 1.00 0.00 C ATOM 92 CE2 TYR A 9 -5.371 4.368 7.667 1.00 0.00 C ATOM 93 CZ TYR A 9 -5.858 3.564 8.675 1.00 0.00 C ATOM 94 OH TYR A 9 -7.206 3.557 8.954 1.00 0.00 O ATOM 0 H TYR A 9 -2.035 6.063 8.349 1.00 0.00 H new ATOM 0 HA TYR A 9 -0.902 3.807 9.859 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -1.474 4.060 6.880 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -1.278 2.586 7.808 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -2.989 2.156 9.704 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -3.634 4.998 6.599 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -5.389 2.134 10.190 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -6.043 4.992 7.097 1.00 0.00 H new ATOM 0 HH TYR A 9 -7.597 4.418 8.698 1.00 0.00 H new ATOM 104 N GLU A 10 1.395 3.763 8.984 1.00 0.00 N ATOM 105 CA GLU A 10 2.810 3.864 8.657 1.00 0.00 C ATOM 106 C GLU A 10 3.006 3.749 7.159 1.00 0.00 C ATOM 107 O GLU A 10 3.992 4.231 6.604 1.00 0.00 O ATOM 108 CB GLU A 10 3.593 2.745 9.338 1.00 0.00 C ATOM 109 CG GLU A 10 2.705 1.676 9.935 1.00 0.00 C ATOM 110 CD GLU A 10 3.484 0.640 10.723 1.00 0.00 C ATOM 111 OE1 GLU A 10 4.477 0.109 10.184 1.00 0.00 O ATOM 112 OE2 GLU A 10 3.098 0.359 11.877 1.00 0.00 O ATOM 0 H GLU A 10 1.159 2.978 9.590 1.00 0.00 H new ATOM 0 HA GLU A 10 3.173 4.831 9.007 1.00 0.00 H new ATOM 0 HB2 GLU A 10 4.265 2.287 8.613 1.00 0.00 H new ATOM 0 HB3 GLU A 10 4.216 3.172 10.124 1.00 0.00 H new ATOM 0 HG2 GLU A 10 1.968 2.144 10.588 1.00 0.00 H new ATOM 0 HG3 GLU A 10 2.154 1.180 9.136 1.00 0.00 H new ATOM 119 N TRP A 11 2.074 3.062 6.520 1.00 0.00 N ATOM 120 CA TRP A 11 2.144 2.824 5.096 1.00 0.00 C ATOM 121 C TRP A 11 1.620 3.995 4.264 1.00 0.00 C ATOM 122 O TRP A 11 2.198 4.330 3.231 1.00 0.00 O ATOM 123 CB TRP A 11 1.357 1.562 4.778 1.00 0.00 C ATOM 124 CG TRP A 11 0.084 1.422 5.573 1.00 0.00 C ATOM 125 CD1 TRP A 11 -0.115 0.714 6.731 1.00 0.00 C ATOM 126 CD2 TRP A 11 -1.181 1.986 5.237 1.00 0.00 C ATOM 127 NE1 TRP A 11 -1.433 0.804 7.118 1.00 0.00 N ATOM 128 CE2 TRP A 11 -2.104 1.582 6.218 1.00 0.00 C ATOM 129 CE3 TRP A 11 -1.618 2.795 4.198 1.00 0.00 C ATOM 130 CZ2 TRP A 11 -3.441 1.961 6.180 1.00 0.00 C ATOM 131 CZ3 TRP A 11 -2.941 3.173 4.159 1.00 0.00 C ATOM 132 CH2 TRP A 11 -3.843 2.754 5.146 1.00 0.00 C ATOM 0 H TRP A 11 1.255 2.658 6.974 1.00 0.00 H new ATOM 0 HA TRP A 11 3.194 2.708 4.828 1.00 0.00 H new ATOM 0 HB2 TRP A 11 1.113 1.555 3.716 1.00 0.00 H new ATOM 0 HB3 TRP A 11 1.989 0.694 4.966 1.00 0.00 H new ATOM 0 HD1 TRP A 11 0.650 0.166 7.261 1.00 0.00 H new ATOM 0 HE1 TRP A 11 -1.841 0.362 7.942 1.00 0.00 H new ATOM 0 HE3 TRP A 11 -0.931 3.123 3.432 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 -4.136 1.639 6.942 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 -3.290 3.803 3.354 1.00 0.00 H new ATOM 0 HH2 TRP A 11 -4.876 3.065 5.087 1.00 0.00 H new ATOM 143 N TYR A 12 0.514 4.593 4.684 1.00 0.00 N ATOM 144 CA TYR A 12 -0.082 5.696 3.930 1.00 0.00 C ATOM 145 C TYR A 12 0.842 6.897 3.782 1.00 0.00 C ATOM 146 O TYR A 12 1.605 7.241 4.685 1.00 0.00 O ATOM 147 CB TYR A 12 -1.392 6.151 4.564 1.00 0.00 C ATOM 148 CG TYR A 12 -2.129 7.166 3.716 1.00 0.00 C ATOM 149 CD1 TYR A 12 -2.713 6.794 2.512 1.00 0.00 C ATOM 150 CD2 TYR A 12 -2.240 8.490 4.118 1.00 0.00 C ATOM 151 CE1 TYR A 12 -3.388 7.713 1.733 1.00 0.00 C ATOM 152 CE2 TYR A 12 -2.914 9.416 3.344 1.00 0.00 C ATOM 153 CZ TYR A 12 -3.486 9.023 2.153 1.00 0.00 C ATOM 154 OH TYR A 12 -4.158 9.941 1.380 1.00 0.00 O ATOM 0 H TYR A 12 0.012 4.339 5.535 1.00 0.00 H new ATOM 0 HA TYR A 12 -0.268 5.297 2.933 1.00 0.00 H new ATOM 0 HB2 TYR A 12 -2.033 5.284 4.726 1.00 0.00 H new ATOM 0 HB3 TYR A 12 -1.186 6.583 5.544 1.00 0.00 H new ATOM 0 HD1 TYR A 12 -2.638 5.769 2.180 1.00 0.00 H new ATOM 0 HD2 TYR A 12 -1.793 8.802 5.050 1.00 0.00 H new ATOM 0 HE1 TYR A 12 -3.837 7.407 0.799 1.00 0.00 H new ATOM 0 HE2 TYR A 12 -2.992 10.442 3.671 1.00 0.00 H new ATOM 0 HH TYR A 12 -4.136 10.817 1.819 1.00 0.00 H new ATOM 164 N ASN A 13 0.736 7.535 2.619 1.00 0.00 N ATOM 165 CA ASN A 13 1.519 8.719 2.291 1.00 0.00 C ATOM 166 C ASN A 13 0.698 9.664 1.410 1.00 0.00 C ATOM 167 O ASN A 13 0.494 9.404 0.224 1.00 0.00 O ATOM 168 CB ASN A 13 2.807 8.316 1.587 1.00 0.00 C ATOM 169 CG ASN A 13 4.017 8.506 2.475 1.00 0.00 C ATOM 170 OD1 ASN A 13 4.769 9.469 2.330 1.00 0.00 O ATOM 171 ND2 ASN A 13 4.204 7.586 3.404 1.00 0.00 N ATOM 0 H ASN A 13 0.101 7.242 1.876 1.00 0.00 H new ATOM 0 HA ASN A 13 1.777 9.241 3.213 1.00 0.00 H new ATOM 0 HB2 ASN A 13 2.742 7.272 1.280 1.00 0.00 H new ATOM 0 HB3 ASN A 13 2.926 8.908 0.680 1.00 0.00 H new ATOM 0 HD21 ASN A 13 4.999 7.657 4.039 1.00 0.00 H new ATOM 0 HD22 ASN A 13 3.553 6.805 3.486 1.00 0.00 H new ATOM 178 N LYS A 14 0.210 10.744 2.010 1.00 0.00 N ATOM 179 CA LYS A 14 -0.618 11.726 1.308 1.00 0.00 C ATOM 180 C LYS A 14 -0.009 12.171 -0.024 1.00 0.00 C ATOM 181 O LYS A 14 0.140 11.373 -0.949 1.00 0.00 O ATOM 182 CB LYS A 14 -0.855 12.943 2.203 1.00 0.00 C ATOM 183 CG LYS A 14 0.412 13.479 2.849 1.00 0.00 C ATOM 184 CD LYS A 14 0.235 13.670 4.346 1.00 0.00 C ATOM 185 CE LYS A 14 -0.916 14.612 4.656 1.00 0.00 C ATOM 186 NZ LYS A 14 -0.904 15.056 6.078 1.00 0.00 N ATOM 0 H LYS A 14 0.374 10.966 2.992 1.00 0.00 H new ATOM 0 HA LYS A 14 -1.566 11.239 1.080 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -1.314 13.735 1.611 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -1.566 12.676 2.984 1.00 0.00 H new ATOM 0 HG2 LYS A 14 1.236 12.790 2.664 1.00 0.00 H new ATOM 0 HG3 LYS A 14 0.682 14.430 2.389 1.00 0.00 H new ATOM 0 HD2 LYS A 14 0.053 12.704 4.818 1.00 0.00 H new ATOM 0 HD3 LYS A 14 1.156 14.066 4.775 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -0.858 15.483 4.003 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -1.861 14.114 4.439 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -1.810 14.810 6.526 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -0.128 14.583 6.583 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -0.766 16.086 6.119 1.00 0.00 H new ATOM 200 N SER A 15 0.312 13.461 -0.114 1.00 0.00 N ATOM 201 CA SER A 15 0.878 14.054 -1.330 1.00 0.00 C ATOM 202 C SER A 15 1.970 13.189 -1.960 1.00 0.00 C ATOM 203 O SER A 15 2.563 13.571 -2.969 1.00 0.00 O ATOM 204 CB SER A 15 1.439 15.442 -1.021 1.00 0.00 C ATOM 205 OG SER A 15 1.818 15.549 0.340 1.00 0.00 O ATOM 0 H SER A 15 0.188 14.125 0.650 1.00 0.00 H new ATOM 0 HA SER A 15 0.066 14.127 -2.053 1.00 0.00 H new ATOM 0 HB2 SER A 15 2.301 15.639 -1.658 1.00 0.00 H new ATOM 0 HB3 SER A 15 0.691 16.200 -1.254 1.00 0.00 H new ATOM 0 HG SER A 15 2.175 16.446 0.511 1.00 0.00 H new ATOM 211 N ILE A 16 2.240 12.035 -1.367 1.00 0.00 N ATOM 212 CA ILE A 16 3.264 11.139 -1.874 1.00 0.00 C ATOM 213 C ILE A 16 2.964 10.652 -3.284 1.00 0.00 C ATOM 214 O ILE A 16 1.826 10.700 -3.750 1.00 0.00 O ATOM 215 CB ILE A 16 3.391 9.911 -0.970 1.00 0.00 C ATOM 216 CG1 ILE A 16 4.751 9.885 -0.298 1.00 0.00 C ATOM 217 CG2 ILE A 16 3.174 8.634 -1.764 1.00 0.00 C ATOM 218 CD1 ILE A 16 5.272 8.482 -0.088 1.00 0.00 C ATOM 0 H ILE A 16 1.761 11.698 -0.532 1.00 0.00 H new ATOM 0 HA ILE A 16 4.192 11.711 -1.889 1.00 0.00 H new ATOM 0 HB ILE A 16 2.622 9.974 -0.201 1.00 0.00 H new ATOM 0 HG12 ILE A 16 5.462 10.445 -0.905 1.00 0.00 H new ATOM 0 HG13 ILE A 16 4.686 10.392 0.665 1.00 0.00 H new ATOM 0 HG21 ILE A 16 3.269 7.773 -1.102 1.00 0.00 H new ATOM 0 HG22 ILE A 16 2.177 8.645 -2.205 1.00 0.00 H new ATOM 0 HG23 ILE A 16 3.920 8.567 -2.556 1.00 0.00 H new ATOM 0 HD11 ILE A 16 6.248 8.525 0.396 1.00 0.00 H new ATOM 0 HD12 ILE A 16 4.578 7.927 0.543 1.00 0.00 H new ATOM 0 HD13 ILE A 16 5.367 7.981 -1.051 1.00 0.00 H new ATOM 230 N SER A 17 4.007 10.164 -3.944 1.00 0.00 N ATOM 231 CA SER A 17 3.892 9.636 -5.294 1.00 0.00 C ATOM 232 C SER A 17 4.445 8.216 -5.348 1.00 0.00 C ATOM 233 O SER A 17 4.750 7.621 -4.315 1.00 0.00 O ATOM 234 CB SER A 17 4.641 10.532 -6.277 1.00 0.00 C ATOM 235 OG SER A 17 3.875 10.759 -7.447 1.00 0.00 O ATOM 0 H SER A 17 4.951 10.124 -3.559 1.00 0.00 H new ATOM 0 HA SER A 17 2.839 9.615 -5.575 1.00 0.00 H new ATOM 0 HB2 SER A 17 4.874 11.484 -5.801 1.00 0.00 H new ATOM 0 HB3 SER A 17 5.591 10.069 -6.545 1.00 0.00 H new ATOM 0 HG SER A 17 3.574 11.691 -7.465 1.00 0.00 H new ATOM 241 N ARG A 18 4.576 7.678 -6.552 1.00 0.00 N ATOM 242 CA ARG A 18 5.097 6.328 -6.730 1.00 0.00 C ATOM 243 C ARG A 18 6.606 6.283 -6.504 1.00 0.00 C ATOM 244 O ARG A 18 7.130 5.320 -5.943 1.00 0.00 O ATOM 245 CB ARG A 18 4.761 5.813 -8.130 1.00 0.00 C ATOM 246 CG ARG A 18 4.523 4.315 -8.186 1.00 0.00 C ATOM 247 CD ARG A 18 3.930 3.896 -9.520 1.00 0.00 C ATOM 248 NE ARG A 18 2.681 3.157 -9.357 1.00 0.00 N ATOM 249 CZ ARG A 18 1.541 3.716 -8.965 1.00 0.00 C ATOM 250 NH1 ARG A 18 1.494 5.014 -8.699 1.00 0.00 N ATOM 251 NH2 ARG A 18 0.446 2.978 -8.841 1.00 0.00 N ATOM 0 H ARG A 18 4.329 8.154 -7.420 1.00 0.00 H new ATOM 0 HA ARG A 18 4.624 5.685 -5.988 1.00 0.00 H new ATOM 0 HB2 ARG A 18 3.871 6.328 -8.493 1.00 0.00 H new ATOM 0 HB3 ARG A 18 5.576 6.068 -8.807 1.00 0.00 H new ATOM 0 HG2 ARG A 18 5.464 3.790 -8.024 1.00 0.00 H new ATOM 0 HG3 ARG A 18 3.851 4.022 -7.380 1.00 0.00 H new ATOM 0 HD2 ARG A 18 3.750 4.781 -10.131 1.00 0.00 H new ATOM 0 HD3 ARG A 18 4.649 3.278 -10.058 1.00 0.00 H new ATOM 0 HE ARG A 18 2.684 2.156 -9.555 1.00 0.00 H new ATOM 0 HH11 ARG A 18 2.334 5.585 -8.795 1.00 0.00 H new ATOM 0 HH12 ARG A 18 0.618 5.442 -8.398 1.00 0.00 H new ATOM 0 HH21 ARG A 18 0.478 1.979 -9.047 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -0.428 3.409 -8.540 1.00 0.00 H new ATOM 265 N ASP A 19 7.301 7.322 -6.955 1.00 0.00 N ATOM 266 CA ASP A 19 8.752 7.395 -6.815 1.00 0.00 C ATOM 267 C ASP A 19 9.175 7.678 -5.374 1.00 0.00 C ATOM 268 O ASP A 19 10.087 7.036 -4.851 1.00 0.00 O ATOM 269 CB ASP A 19 9.316 8.474 -7.741 1.00 0.00 C ATOM 270 CG ASP A 19 9.688 7.927 -9.106 1.00 0.00 C ATOM 271 OD1 ASP A 19 9.886 6.699 -9.220 1.00 0.00 O ATOM 272 OD2 ASP A 19 9.781 8.728 -10.060 1.00 0.00 O ATOM 0 H ASP A 19 6.882 8.127 -7.421 1.00 0.00 H new ATOM 0 HA ASP A 19 9.156 6.422 -7.095 1.00 0.00 H new ATOM 0 HB2 ASP A 19 8.580 9.269 -7.859 1.00 0.00 H new ATOM 0 HB3 ASP A 19 10.196 8.921 -7.279 1.00 0.00 H new ATOM 277 N LYS A 20 8.523 8.648 -4.739 1.00 0.00 N ATOM 278 CA LYS A 20 8.852 9.014 -3.364 1.00 0.00 C ATOM 279 C LYS A 20 8.740 7.815 -2.430 1.00 0.00 C ATOM 280 O LYS A 20 9.665 7.519 -1.664 1.00 0.00 O ATOM 281 CB LYS A 20 7.936 10.138 -2.878 1.00 0.00 C ATOM 282 CG LYS A 20 7.880 11.327 -3.822 1.00 0.00 C ATOM 283 CD LYS A 20 6.752 11.180 -4.829 1.00 0.00 C ATOM 284 CE LYS A 20 7.233 11.449 -6.246 1.00 0.00 C ATOM 285 NZ LYS A 20 6.334 12.391 -6.968 1.00 0.00 N ATOM 0 H LYS A 20 7.766 9.193 -5.152 1.00 0.00 H new ATOM 0 HA LYS A 20 9.885 9.362 -3.352 1.00 0.00 H new ATOM 0 HB2 LYS A 20 6.929 9.743 -2.745 1.00 0.00 H new ATOM 0 HB3 LYS A 20 8.278 10.477 -1.900 1.00 0.00 H new ATOM 0 HG2 LYS A 20 7.741 12.243 -3.248 1.00 0.00 H new ATOM 0 HG3 LYS A 20 8.830 11.421 -4.348 1.00 0.00 H new ATOM 0 HD2 LYS A 20 6.338 10.174 -4.769 1.00 0.00 H new ATOM 0 HD3 LYS A 20 5.947 11.871 -4.579 1.00 0.00 H new ATOM 0 HE2 LYS A 20 8.241 11.861 -6.215 1.00 0.00 H new ATOM 0 HE3 LYS A 20 7.290 10.509 -6.795 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 5.723 11.858 -7.619 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 5.745 12.904 -6.281 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 6.906 13.071 -7.509 1.00 0.00 H new ATOM 299 N ALA A 21 7.604 7.125 -2.495 1.00 0.00 N ATOM 300 CA ALA A 21 7.382 5.964 -1.650 1.00 0.00 C ATOM 301 C ALA A 21 8.572 5.016 -1.737 1.00 0.00 C ATOM 302 O ALA A 21 9.164 4.650 -0.722 1.00 0.00 O ATOM 303 CB ALA A 21 6.085 5.262 -2.023 1.00 0.00 C ATOM 0 H ALA A 21 6.831 7.351 -3.120 1.00 0.00 H new ATOM 0 HA ALA A 21 7.287 6.297 -0.616 1.00 0.00 H new ATOM 0 HB1 ALA A 21 5.941 4.396 -1.377 1.00 0.00 H new ATOM 0 HB2 ALA A 21 5.250 5.951 -1.898 1.00 0.00 H new ATOM 0 HB3 ALA A 21 6.134 4.935 -3.062 1.00 0.00 H new ATOM 309 N GLU A 22 8.948 4.642 -2.951 1.00 0.00 N ATOM 310 CA GLU A 22 10.093 3.766 -3.137 1.00 0.00 C ATOM 311 C GLU A 22 11.318 4.393 -2.482 1.00 0.00 C ATOM 312 O GLU A 22 12.030 3.744 -1.706 1.00 0.00 O ATOM 313 CB GLU A 22 10.358 3.531 -4.626 1.00 0.00 C ATOM 314 CG GLU A 22 9.586 2.359 -5.206 1.00 0.00 C ATOM 315 CD GLU A 22 9.503 2.407 -6.719 1.00 0.00 C ATOM 316 OE1 GLU A 22 9.470 3.525 -7.277 1.00 0.00 O ATOM 317 OE2 GLU A 22 9.471 1.328 -7.347 1.00 0.00 O ATOM 0 H GLU A 22 8.483 4.928 -3.812 1.00 0.00 H new ATOM 0 HA GLU A 22 9.881 2.803 -2.672 1.00 0.00 H new ATOM 0 HB2 GLU A 22 10.100 4.434 -5.179 1.00 0.00 H new ATOM 0 HB3 GLU A 22 11.424 3.361 -4.774 1.00 0.00 H new ATOM 0 HG2 GLU A 22 10.064 1.428 -4.901 1.00 0.00 H new ATOM 0 HG3 GLU A 22 8.578 2.351 -4.791 1.00 0.00 H new ATOM 324 N LYS A 23 11.537 5.672 -2.779 1.00 0.00 N ATOM 325 CA LYS A 23 12.653 6.405 -2.204 1.00 0.00 C ATOM 326 C LYS A 23 12.613 6.268 -0.693 1.00 0.00 C ATOM 327 O LYS A 23 13.605 5.897 -0.065 1.00 0.00 O ATOM 328 CB LYS A 23 12.596 7.880 -2.609 1.00 0.00 C ATOM 329 CG LYS A 23 12.217 8.813 -1.469 1.00 0.00 C ATOM 330 CD LYS A 23 13.378 9.024 -0.511 1.00 0.00 C ATOM 331 CE LYS A 23 13.008 9.977 0.613 1.00 0.00 C ATOM 332 NZ LYS A 23 12.910 9.280 1.924 1.00 0.00 N ATOM 0 H LYS A 23 10.955 6.218 -3.414 1.00 0.00 H new ATOM 0 HA LYS A 23 13.588 5.990 -2.581 1.00 0.00 H new ATOM 0 HB2 LYS A 23 13.568 8.177 -3.002 1.00 0.00 H new ATOM 0 HB3 LYS A 23 11.875 7.998 -3.418 1.00 0.00 H new ATOM 0 HG2 LYS A 23 11.899 9.774 -1.874 1.00 0.00 H new ATOM 0 HG3 LYS A 23 11.367 8.399 -0.926 1.00 0.00 H new ATOM 0 HD2 LYS A 23 13.683 8.066 -0.091 1.00 0.00 H new ATOM 0 HD3 LYS A 23 14.234 9.419 -1.057 1.00 0.00 H new ATOM 0 HE2 LYS A 23 13.755 10.769 0.678 1.00 0.00 H new ATOM 0 HE3 LYS A 23 12.056 10.455 0.384 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 13.290 9.894 2.673 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 11.914 9.062 2.128 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 13.458 8.397 1.889 1.00 0.00 H new ATOM 346 N LEU A 24 11.447 6.539 -0.114 1.00 0.00 N ATOM 347 CA LEU A 24 11.276 6.410 1.326 1.00 0.00 C ATOM 348 C LEU A 24 11.454 4.953 1.727 1.00 0.00 C ATOM 349 O LEU A 24 12.109 4.644 2.722 1.00 0.00 O ATOM 350 CB LEU A 24 9.897 6.904 1.759 1.00 0.00 C ATOM 351 CG LEU A 24 8.765 6.599 0.779 1.00 0.00 C ATOM 352 CD1 LEU A 24 8.107 5.265 1.107 1.00 0.00 C ATOM 353 CD2 LEU A 24 7.743 7.724 0.796 1.00 0.00 C ATOM 0 H LEU A 24 10.614 6.847 -0.616 1.00 0.00 H new ATOM 0 HA LEU A 24 12.028 7.023 1.823 1.00 0.00 H new ATOM 0 HB2 LEU A 24 9.653 6.457 2.723 1.00 0.00 H new ATOM 0 HB3 LEU A 24 9.945 7.982 1.911 1.00 0.00 H new ATOM 0 HG LEU A 24 9.185 6.525 -0.224 1.00 0.00 H new ATOM 0 HD11 LEU A 24 7.305 5.070 0.395 1.00 0.00 H new ATOM 0 HD12 LEU A 24 8.848 4.468 1.044 1.00 0.00 H new ATOM 0 HD13 LEU A 24 7.697 5.300 2.116 1.00 0.00 H new ATOM 0 HD21 LEU A 24 6.940 7.497 0.094 1.00 0.00 H new ATOM 0 HD22 LEU A 24 7.330 7.825 1.800 1.00 0.00 H new ATOM 0 HD23 LEU A 24 8.225 8.658 0.506 1.00 0.00 H new ATOM 365 N LEU A 25 10.876 4.060 0.927 1.00 0.00 N ATOM 366 CA LEU A 25 10.981 2.631 1.178 1.00 0.00 C ATOM 367 C LEU A 25 12.445 2.224 1.257 1.00 0.00 C ATOM 368 O LEU A 25 12.869 1.559 2.202 1.00 0.00 O ATOM 369 CB LEU A 25 10.288 1.838 0.067 1.00 0.00 C ATOM 370 CG LEU A 25 8.769 1.703 0.208 1.00 0.00 C ATOM 371 CD1 LEU A 25 8.180 1.040 -1.027 1.00 0.00 C ATOM 372 CD2 LEU A 25 8.420 0.912 1.458 1.00 0.00 C ATOM 0 H LEU A 25 10.331 4.304 0.100 1.00 0.00 H new ATOM 0 HA LEU A 25 10.491 2.410 2.126 1.00 0.00 H new ATOM 0 HB2 LEU A 25 10.506 2.316 -0.888 1.00 0.00 H new ATOM 0 HB3 LEU A 25 10.723 0.839 0.031 1.00 0.00 H new ATOM 0 HG LEU A 25 8.339 2.700 0.302 1.00 0.00 H new ATOM 0 HD11 LEU A 25 7.100 0.951 -0.912 1.00 0.00 H new ATOM 0 HD12 LEU A 25 8.403 1.645 -1.906 1.00 0.00 H new ATOM 0 HD13 LEU A 25 8.615 0.048 -1.150 1.00 0.00 H new ATOM 0 HD21 LEU A 25 7.337 0.825 1.543 1.00 0.00 H new ATOM 0 HD22 LEU A 25 8.860 -0.083 1.393 1.00 0.00 H new ATOM 0 HD23 LEU A 25 8.813 1.426 2.335 1.00 0.00 H new ATOM 384 N LEU A 26 13.216 2.635 0.253 1.00 0.00 N ATOM 385 CA LEU A 26 14.639 2.320 0.206 1.00 0.00 C ATOM 386 C LEU A 26 15.350 2.820 1.460 1.00 0.00 C ATOM 387 O LEU A 26 16.282 2.184 1.954 1.00 0.00 O ATOM 388 CB LEU A 26 15.278 2.945 -1.034 1.00 0.00 C ATOM 389 CG LEU A 26 14.551 2.667 -2.350 1.00 0.00 C ATOM 390 CD1 LEU A 26 15.539 2.600 -3.503 1.00 0.00 C ATOM 391 CD2 LEU A 26 13.752 1.377 -2.255 1.00 0.00 C ATOM 0 H LEU A 26 12.879 3.186 -0.537 1.00 0.00 H new ATOM 0 HA LEU A 26 14.743 1.236 0.157 1.00 0.00 H new ATOM 0 HB2 LEU A 26 15.335 4.024 -0.889 1.00 0.00 H new ATOM 0 HB3 LEU A 26 16.302 2.580 -1.119 1.00 0.00 H new ATOM 0 HG LEU A 26 13.859 3.487 -2.540 1.00 0.00 H new ATOM 0 HD11 LEU A 26 15.002 2.401 -4.431 1.00 0.00 H new ATOM 0 HD12 LEU A 26 16.067 3.550 -3.585 1.00 0.00 H new ATOM 0 HD13 LEU A 26 16.257 1.800 -3.321 1.00 0.00 H new ATOM 0 HD21 LEU A 26 13.241 1.195 -3.201 1.00 0.00 H new ATOM 0 HD22 LEU A 26 14.425 0.547 -2.041 1.00 0.00 H new ATOM 0 HD23 LEU A 26 13.016 1.463 -1.456 1.00 0.00 H new ATOM 403 N ASP A 27 14.907 3.966 1.968 1.00 0.00 N ATOM 404 CA ASP A 27 15.502 4.559 3.161 1.00 0.00 C ATOM 405 C ASP A 27 15.487 3.579 4.331 1.00 0.00 C ATOM 406 O ASP A 27 16.502 3.378 4.997 1.00 0.00 O ATOM 407 CB ASP A 27 14.756 5.837 3.544 1.00 0.00 C ATOM 408 CG ASP A 27 15.456 7.087 3.044 1.00 0.00 C ATOM 409 OD1 ASP A 27 15.925 7.081 1.885 1.00 0.00 O ATOM 410 OD2 ASP A 27 15.535 8.069 3.810 1.00 0.00 O ATOM 0 H ASP A 27 14.136 4.504 1.571 1.00 0.00 H new ATOM 0 HA ASP A 27 16.540 4.802 2.932 1.00 0.00 H new ATOM 0 HB2 ASP A 27 13.746 5.801 3.135 1.00 0.00 H new ATOM 0 HB3 ASP A 27 14.659 5.887 4.629 1.00 0.00 H new ATOM 415 N THR A 28 14.329 2.975 4.580 1.00 0.00 N ATOM 416 CA THR A 28 14.186 2.020 5.673 1.00 0.00 C ATOM 417 C THR A 28 14.600 0.624 5.228 1.00 0.00 C ATOM 418 O THR A 28 15.466 -0.007 5.836 1.00 0.00 O ATOM 419 CB THR A 28 12.743 2.003 6.170 1.00 0.00 C ATOM 420 OG1 THR A 28 12.582 1.067 7.222 1.00 0.00 O ATOM 421 CG2 THR A 28 11.734 1.663 5.092 1.00 0.00 C ATOM 0 H THR A 28 13.477 3.130 4.040 1.00 0.00 H new ATOM 0 HA THR A 28 14.840 2.331 6.487 1.00 0.00 H new ATOM 0 HB THR A 28 12.550 3.019 6.513 1.00 0.00 H new ATOM 0 HG1 THR A 28 12.018 1.456 7.923 1.00 0.00 H new ATOM 0 HG21 THR A 28 10.731 1.670 5.518 1.00 0.00 H new ATOM 0 HG22 THR A 28 11.794 2.401 4.292 1.00 0.00 H new ATOM 0 HG23 THR A 28 11.951 0.673 4.690 1.00 0.00 H new ATOM 429 N GLY A 29 13.987 0.160 4.150 1.00 0.00 N ATOM 430 CA GLY A 29 14.307 -1.149 3.612 1.00 0.00 C ATOM 431 C GLY A 29 13.769 -2.303 4.443 1.00 0.00 C ATOM 432 O GLY A 29 14.540 -3.057 5.037 1.00 0.00 O ATOM 0 H GLY A 29 13.269 0.669 3.634 1.00 0.00 H new ATOM 0 HA2 GLY A 29 13.906 -1.224 2.601 1.00 0.00 H new ATOM 0 HA3 GLY A 29 15.390 -1.244 3.533 1.00 0.00 H new ATOM 436 N LYS A 30 12.449 -2.458 4.466 1.00 0.00 N ATOM 437 CA LYS A 30 11.818 -3.549 5.206 1.00 0.00 C ATOM 438 C LYS A 30 11.149 -4.519 4.242 1.00 0.00 C ATOM 439 O LYS A 30 10.132 -4.189 3.632 1.00 0.00 O ATOM 440 CB LYS A 30 10.772 -3.023 6.190 1.00 0.00 C ATOM 441 CG LYS A 30 11.224 -1.816 6.987 1.00 0.00 C ATOM 442 CD LYS A 30 11.179 -0.550 6.155 1.00 0.00 C ATOM 443 CE LYS A 30 10.216 -0.680 4.985 1.00 0.00 C ATOM 444 NZ LYS A 30 8.797 -0.524 5.409 1.00 0.00 N ATOM 0 H LYS A 30 11.795 -1.843 3.982 1.00 0.00 H new ATOM 0 HA LYS A 30 12.600 -4.061 5.767 1.00 0.00 H new ATOM 0 HB2 LYS A 30 9.868 -2.763 5.639 1.00 0.00 H new ATOM 0 HB3 LYS A 30 10.505 -3.822 6.881 1.00 0.00 H new ATOM 0 HG2 LYS A 30 10.587 -1.699 7.864 1.00 0.00 H new ATOM 0 HG3 LYS A 30 12.239 -1.978 7.350 1.00 0.00 H new ATOM 0 HD2 LYS A 30 10.877 0.288 6.783 1.00 0.00 H new ATOM 0 HD3 LYS A 30 12.178 -0.325 5.781 1.00 0.00 H new ATOM 0 HE2 LYS A 30 10.455 0.073 4.234 1.00 0.00 H new ATOM 0 HE3 LYS A 30 10.348 -1.654 4.513 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 8.218 -0.248 4.590 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 8.448 -1.426 5.792 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 8.732 0.211 6.142 1.00 0.00 H new ATOM 458 N GLU A 31 11.712 -5.714 4.102 1.00 0.00 N ATOM 459 CA GLU A 31 11.135 -6.701 3.203 1.00 0.00 C ATOM 460 C GLU A 31 9.616 -6.612 3.253 1.00 0.00 C ATOM 461 O GLU A 31 8.996 -6.976 4.252 1.00 0.00 O ATOM 462 CB GLU A 31 11.593 -8.109 3.586 1.00 0.00 C ATOM 463 CG GLU A 31 10.567 -8.882 4.400 1.00 0.00 C ATOM 464 CD GLU A 31 10.928 -10.347 4.551 1.00 0.00 C ATOM 465 OE1 GLU A 31 10.668 -11.123 3.608 1.00 0.00 O ATOM 466 OE2 GLU A 31 11.471 -10.717 5.614 1.00 0.00 O ATOM 0 H GLU A 31 12.554 -6.018 4.592 1.00 0.00 H new ATOM 0 HA GLU A 31 11.475 -6.494 2.188 1.00 0.00 H new ATOM 0 HB2 GLU A 31 11.820 -8.668 2.678 1.00 0.00 H new ATOM 0 HB3 GLU A 31 12.519 -8.038 4.157 1.00 0.00 H new ATOM 0 HG2 GLU A 31 10.477 -8.430 5.388 1.00 0.00 H new ATOM 0 HG3 GLU A 31 9.591 -8.799 3.921 1.00 0.00 H new ATOM 473 N GLY A 32 9.021 -6.109 2.178 1.00 0.00 N ATOM 474 CA GLY A 32 7.584 -5.964 2.135 1.00 0.00 C ATOM 475 C GLY A 32 7.147 -4.606 2.635 1.00 0.00 C ATOM 476 O GLY A 32 6.000 -4.424 3.042 1.00 0.00 O ATOM 0 H GLY A 32 9.510 -5.800 1.338 1.00 0.00 H new ATOM 0 HA2 GLY A 32 7.234 -6.106 1.113 1.00 0.00 H new ATOM 0 HA3 GLY A 32 7.121 -6.742 2.742 1.00 0.00 H new ATOM 480 N ALA A 33 8.067 -3.643 2.596 1.00 0.00 N ATOM 481 CA ALA A 33 7.764 -2.290 3.041 1.00 0.00 C ATOM 482 C ALA A 33 6.468 -1.823 2.400 1.00 0.00 C ATOM 483 O ALA A 33 6.392 -1.688 1.180 1.00 0.00 O ATOM 484 CB ALA A 33 8.900 -1.352 2.682 1.00 0.00 C ATOM 0 H ALA A 33 9.022 -3.776 2.262 1.00 0.00 H new ATOM 0 HA ALA A 33 7.647 -2.286 4.125 1.00 0.00 H new ATOM 0 HB1 ALA A 33 8.660 -0.344 3.020 1.00 0.00 H new ATOM 0 HB2 ALA A 33 9.817 -1.689 3.166 1.00 0.00 H new ATOM 0 HB3 ALA A 33 9.041 -1.348 1.601 1.00 0.00 H new ATOM 490 N PHE A 34 5.440 -1.607 3.210 1.00 0.00 N ATOM 491 CA PHE A 34 4.151 -1.195 2.676 1.00 0.00 C ATOM 492 C PHE A 34 3.838 0.274 2.914 1.00 0.00 C ATOM 493 O PHE A 34 3.955 0.782 4.024 1.00 0.00 O ATOM 494 CB PHE A 34 3.030 -2.024 3.278 1.00 0.00 C ATOM 495 CG PHE A 34 1.706 -1.351 3.126 1.00 0.00 C ATOM 496 CD1 PHE A 34 1.207 -1.092 1.868 1.00 0.00 C ATOM 497 CD2 PHE A 34 0.962 -0.973 4.223 1.00 0.00 C ATOM 498 CE1 PHE A 34 -0.006 -0.464 1.707 1.00 0.00 C ATOM 499 CE2 PHE A 34 -0.244 -0.350 4.066 1.00 0.00 C ATOM 500 CZ PHE A 34 -0.733 -0.088 2.810 1.00 0.00 C ATOM 0 H PHE A 34 5.472 -1.709 4.224 1.00 0.00 H new ATOM 0 HA PHE A 34 4.219 -1.355 1.600 1.00 0.00 H new ATOM 0 HB2 PHE A 34 3.000 -3.001 2.796 1.00 0.00 H new ATOM 0 HB3 PHE A 34 3.232 -2.197 4.335 1.00 0.00 H new ATOM 0 HD1 PHE A 34 1.775 -1.386 0.998 1.00 0.00 H new ATOM 0 HD2 PHE A 34 1.336 -1.171 5.217 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -0.386 -0.267 0.715 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -0.816 -0.062 4.935 1.00 0.00 H new ATOM 0 HZ PHE A 34 -1.683 0.411 2.690 1.00 0.00 H new ATOM 510 N MET A 35 3.398 0.943 1.861 1.00 0.00 N ATOM 511 CA MET A 35 3.019 2.342 1.952 1.00 0.00 C ATOM 512 C MET A 35 1.788 2.605 1.090 1.00 0.00 C ATOM 513 O MET A 35 1.500 1.842 0.173 1.00 0.00 O ATOM 514 CB MET A 35 4.178 3.235 1.517 1.00 0.00 C ATOM 515 CG MET A 35 3.744 4.606 1.036 1.00 0.00 C ATOM 516 SD MET A 35 5.111 5.773 0.965 1.00 0.00 S ATOM 517 CE MET A 35 5.593 5.809 2.687 1.00 0.00 C ATOM 0 H MET A 35 3.295 0.538 0.931 1.00 0.00 H new ATOM 0 HA MET A 35 2.777 2.576 2.989 1.00 0.00 H new ATOM 0 HB2 MET A 35 4.867 3.354 2.353 1.00 0.00 H new ATOM 0 HB3 MET A 35 4.729 2.737 0.719 1.00 0.00 H new ATOM 0 HG2 MET A 35 3.295 4.516 0.047 1.00 0.00 H new ATOM 0 HG3 MET A 35 2.973 4.994 1.701 1.00 0.00 H new ATOM 0 HE1 MET A 35 6.024 6.782 2.924 1.00 0.00 H new ATOM 0 HE2 MET A 35 4.718 5.638 3.314 1.00 0.00 H new ATOM 0 HE3 MET A 35 6.331 5.029 2.875 1.00 0.00 H new ATOM 527 N VAL A 36 1.065 3.680 1.381 1.00 0.00 N ATOM 528 CA VAL A 36 -0.125 4.020 0.607 1.00 0.00 C ATOM 529 C VAL A 36 -0.141 5.492 0.262 1.00 0.00 C ATOM 530 O VAL A 36 0.382 6.317 1.004 1.00 0.00 O ATOM 531 CB VAL A 36 -1.431 3.670 1.342 1.00 0.00 C ATOM 532 CG1 VAL A 36 -2.639 4.027 0.490 1.00 0.00 C ATOM 533 CG2 VAL A 36 -1.445 2.200 1.705 1.00 0.00 C ATOM 0 H VAL A 36 1.278 4.327 2.140 1.00 0.00 H new ATOM 0 HA VAL A 36 -0.074 3.421 -0.302 1.00 0.00 H new ATOM 0 HB VAL A 36 -1.483 4.255 2.260 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -3.552 3.772 1.028 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -2.631 5.096 0.277 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -2.602 3.470 -0.446 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -2.373 1.962 2.225 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -1.373 1.600 0.798 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -0.598 1.978 2.354 1.00 0.00 H new ATOM 543 N ARG A 37 -0.732 5.820 -0.874 1.00 0.00 N ATOM 544 CA ARG A 37 -0.794 7.202 -1.302 1.00 0.00 C ATOM 545 C ARG A 37 -2.043 7.473 -2.133 1.00 0.00 C ATOM 546 O ARG A 37 -2.304 6.796 -3.128 1.00 0.00 O ATOM 547 CB ARG A 37 0.482 7.552 -2.063 1.00 0.00 C ATOM 548 CG ARG A 37 0.364 7.460 -3.565 1.00 0.00 C ATOM 549 CD ARG A 37 1.512 6.644 -4.123 1.00 0.00 C ATOM 550 NE ARG A 37 1.467 5.256 -3.687 1.00 0.00 N ATOM 551 CZ ARG A 37 2.223 4.301 -4.211 1.00 0.00 C ATOM 552 NH1 ARG A 37 3.072 4.586 -5.188 1.00 0.00 N ATOM 553 NH2 ARG A 37 2.119 3.064 -3.764 1.00 0.00 N ATOM 0 H ARG A 37 -1.171 5.154 -1.509 1.00 0.00 H new ATOM 0 HA ARG A 37 -0.864 7.844 -0.424 1.00 0.00 H new ATOM 0 HB2 ARG A 37 0.781 8.566 -1.797 1.00 0.00 H new ATOM 0 HB3 ARG A 37 1.280 6.887 -1.733 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -0.586 7.000 -3.836 1.00 0.00 H new ATOM 0 HG3 ARG A 37 0.371 8.459 -4.001 1.00 0.00 H new ATOM 0 HD2 ARG A 37 1.486 6.681 -5.212 1.00 0.00 H new ATOM 0 HD3 ARG A 37 2.457 7.090 -3.812 1.00 0.00 H new ATOM 0 HE ARG A 37 0.820 5.005 -2.939 1.00 0.00 H new ATOM 0 HH11 ARG A 37 3.145 5.541 -5.538 1.00 0.00 H new ATOM 0 HH12 ARG A 37 3.653 3.850 -5.590 1.00 0.00 H new ATOM 0 HH21 ARG A 37 1.459 2.845 -3.018 1.00 0.00 H new ATOM 0 HH22 ARG A 37 2.699 2.327 -4.165 1.00 0.00 H new ATOM 567 N ASP A 38 -2.820 8.460 -1.701 1.00 0.00 N ATOM 568 CA ASP A 38 -4.054 8.825 -2.383 1.00 0.00 C ATOM 569 C ASP A 38 -3.798 9.199 -3.838 1.00 0.00 C ATOM 570 O ASP A 38 -2.740 9.729 -4.180 1.00 0.00 O ATOM 571 CB ASP A 38 -4.738 9.985 -1.660 1.00 0.00 C ATOM 572 CG ASP A 38 -5.733 10.714 -2.543 1.00 0.00 C ATOM 573 OD1 ASP A 38 -5.384 11.017 -3.704 1.00 0.00 O ATOM 574 OD2 ASP A 38 -6.858 10.981 -2.075 1.00 0.00 O ATOM 0 H ASP A 38 -2.614 9.024 -0.876 1.00 0.00 H new ATOM 0 HA ASP A 38 -4.710 7.954 -2.367 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -5.251 9.606 -0.776 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -3.982 10.689 -1.312 1.00 0.00 H new ATOM 579 N SER A 39 -4.777 8.916 -4.689 1.00 0.00 N ATOM 580 CA SER A 39 -4.672 9.216 -6.110 1.00 0.00 C ATOM 581 C SER A 39 -5.983 9.782 -6.643 1.00 0.00 C ATOM 582 O SER A 39 -6.400 9.461 -7.756 1.00 0.00 O ATOM 583 CB SER A 39 -4.304 7.953 -6.886 1.00 0.00 C ATOM 584 OG SER A 39 -3.068 7.420 -6.442 1.00 0.00 O ATOM 0 H SER A 39 -5.656 8.477 -4.417 1.00 0.00 H new ATOM 0 HA SER A 39 -3.890 9.964 -6.244 1.00 0.00 H new ATOM 0 HB2 SER A 39 -5.089 7.207 -6.765 1.00 0.00 H new ATOM 0 HB3 SER A 39 -4.243 8.182 -7.950 1.00 0.00 H new ATOM 0 HG SER A 39 -2.677 6.866 -7.150 1.00 0.00 H new ATOM 590 N ARG A 40 -6.636 10.618 -5.843 1.00 0.00 N ATOM 591 CA ARG A 40 -7.904 11.214 -6.244 1.00 0.00 C ATOM 592 C ARG A 40 -8.753 10.193 -6.992 1.00 0.00 C ATOM 593 O ARG A 40 -9.454 9.387 -6.380 1.00 0.00 O ATOM 594 CB ARG A 40 -7.663 12.441 -7.125 1.00 0.00 C ATOM 595 CG ARG A 40 -7.517 13.735 -6.339 1.00 0.00 C ATOM 596 CD ARG A 40 -6.405 13.638 -5.309 1.00 0.00 C ATOM 597 NE ARG A 40 -6.794 14.219 -4.026 1.00 0.00 N ATOM 598 CZ ARG A 40 -6.496 15.461 -3.660 1.00 0.00 C ATOM 599 NH1 ARG A 40 -5.808 16.248 -4.475 1.00 0.00 N ATOM 600 NH2 ARG A 40 -6.887 15.916 -2.478 1.00 0.00 N ATOM 0 H ARG A 40 -6.310 10.897 -4.918 1.00 0.00 H new ATOM 0 HA ARG A 40 -8.437 11.528 -5.347 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -6.762 12.282 -7.717 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -8.491 12.543 -7.826 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -7.309 14.557 -7.024 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -8.458 13.967 -5.840 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -6.134 12.592 -5.166 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -5.518 14.149 -5.684 1.00 0.00 H new ATOM 0 HE ARG A 40 -7.324 13.639 -3.375 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -5.506 15.900 -5.385 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -5.580 17.201 -4.192 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -7.417 15.313 -1.849 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -6.658 16.870 -2.197 1.00 0.00 H new ATOM 614 N THR A 41 -8.672 10.222 -8.318 1.00 0.00 N ATOM 615 CA THR A 41 -9.421 9.289 -9.151 1.00 0.00 C ATOM 616 C THR A 41 -10.731 8.894 -8.466 1.00 0.00 C ATOM 617 O THR A 41 -11.189 9.583 -7.555 1.00 0.00 O ATOM 618 CB THR A 41 -8.555 8.061 -9.433 1.00 0.00 C ATOM 619 OG1 THR A 41 -8.862 7.500 -10.697 1.00 0.00 O ATOM 620 CG2 THR A 41 -8.698 6.976 -8.389 1.00 0.00 C ATOM 0 H THR A 41 -8.095 10.882 -8.839 1.00 0.00 H new ATOM 0 HA THR A 41 -9.675 9.767 -10.097 1.00 0.00 H new ATOM 0 HB THR A 41 -7.527 8.424 -9.412 1.00 0.00 H new ATOM 0 HG1 THR A 41 -8.364 6.664 -10.814 1.00 0.00 H new ATOM 0 HG21 THR A 41 -8.057 6.134 -8.649 1.00 0.00 H new ATOM 0 HG22 THR A 41 -8.405 7.367 -7.415 1.00 0.00 H new ATOM 0 HG23 THR A 41 -9.735 6.644 -8.349 1.00 0.00 H new ATOM 628 N PRO A 42 -11.364 7.786 -8.892 1.00 0.00 N ATOM 629 CA PRO A 42 -12.625 7.328 -8.305 1.00 0.00 C ATOM 630 C PRO A 42 -12.636 7.407 -6.779 1.00 0.00 C ATOM 631 O PRO A 42 -13.667 7.172 -6.150 1.00 0.00 O ATOM 632 CB PRO A 42 -12.711 5.878 -8.773 1.00 0.00 C ATOM 633 CG PRO A 42 -12.027 5.884 -10.095 1.00 0.00 C ATOM 634 CD PRO A 42 -10.915 6.895 -9.982 1.00 0.00 C ATOM 0 HA PRO A 42 -13.468 7.947 -8.613 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -12.219 5.203 -8.073 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -13.746 5.548 -8.861 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -11.634 4.896 -10.335 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -12.720 6.154 -10.892 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -9.963 6.419 -9.745 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -10.774 7.442 -10.914 1.00 0.00 H new ATOM 642 N GLY A 43 -11.492 7.743 -6.184 1.00 0.00 N ATOM 643 CA GLY A 43 -11.422 7.848 -4.738 1.00 0.00 C ATOM 644 C GLY A 43 -10.553 6.786 -4.107 1.00 0.00 C ATOM 645 O GLY A 43 -10.645 6.530 -2.907 1.00 0.00 O ATOM 0 H GLY A 43 -10.620 7.943 -6.674 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -11.036 8.831 -4.470 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -12.429 7.777 -4.326 1.00 0.00 H new ATOM 649 N THR A 44 -9.721 6.154 -4.917 1.00 0.00 N ATOM 650 CA THR A 44 -8.845 5.099 -4.430 1.00 0.00 C ATOM 651 C THR A 44 -7.609 5.656 -3.743 1.00 0.00 C ATOM 652 O THR A 44 -7.426 6.868 -3.626 1.00 0.00 O ATOM 653 CB THR A 44 -8.399 4.208 -5.585 1.00 0.00 C ATOM 654 OG1 THR A 44 -7.049 3.816 -5.420 1.00 0.00 O ATOM 655 CG2 THR A 44 -8.519 4.879 -6.933 1.00 0.00 C ATOM 0 H THR A 44 -9.633 6.352 -5.914 1.00 0.00 H new ATOM 0 HA THR A 44 -9.417 4.523 -3.703 1.00 0.00 H new ATOM 0 HB THR A 44 -9.066 3.346 -5.564 1.00 0.00 H new ATOM 0 HG1 THR A 44 -6.461 4.570 -5.636 1.00 0.00 H new ATOM 0 HG21 THR A 44 -8.186 4.193 -7.712 1.00 0.00 H new ATOM 0 HG22 THR A 44 -9.559 5.154 -7.111 1.00 0.00 H new ATOM 0 HG23 THR A 44 -7.899 5.775 -6.950 1.00 0.00 H new ATOM 663 N TYR A 45 -6.757 4.738 -3.317 1.00 0.00 N ATOM 664 CA TYR A 45 -5.505 5.072 -2.662 1.00 0.00 C ATOM 665 C TYR A 45 -4.386 4.238 -3.260 1.00 0.00 C ATOM 666 O TYR A 45 -4.631 3.178 -3.839 1.00 0.00 O ATOM 667 CB TYR A 45 -5.597 4.821 -1.159 1.00 0.00 C ATOM 668 CG TYR A 45 -6.773 5.500 -0.515 1.00 0.00 C ATOM 669 CD1 TYR A 45 -8.062 5.137 -0.864 1.00 0.00 C ATOM 670 CD2 TYR A 45 -6.600 6.501 0.431 1.00 0.00 C ATOM 671 CE1 TYR A 45 -9.154 5.749 -0.291 1.00 0.00 C ATOM 672 CE2 TYR A 45 -7.690 7.121 1.014 1.00 0.00 C ATOM 673 CZ TYR A 45 -8.966 6.742 0.648 1.00 0.00 C ATOM 674 OH TYR A 45 -10.054 7.357 1.224 1.00 0.00 O ATOM 0 H TYR A 45 -6.916 3.735 -3.417 1.00 0.00 H new ATOM 0 HA TYR A 45 -5.297 6.130 -2.819 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -5.663 3.748 -0.980 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -4.680 5.168 -0.683 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -8.214 4.360 -1.599 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -5.602 6.799 0.715 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -10.153 5.453 -0.575 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -7.544 7.897 1.751 1.00 0.00 H new ATOM 0 HH TYR A 45 -9.747 8.032 1.865 1.00 0.00 H new ATOM 684 N THR A 46 -3.161 4.709 -3.123 1.00 0.00 N ATOM 685 CA THR A 46 -2.021 3.988 -3.660 1.00 0.00 C ATOM 686 C THR A 46 -1.295 3.233 -2.552 1.00 0.00 C ATOM 687 O THR A 46 -1.368 3.618 -1.389 1.00 0.00 O ATOM 688 CB THR A 46 -1.070 4.949 -4.360 1.00 0.00 C ATOM 689 OG1 THR A 46 -1.790 5.892 -5.134 1.00 0.00 O ATOM 690 CG2 THR A 46 -0.092 4.251 -5.277 1.00 0.00 C ATOM 0 H THR A 46 -2.930 5.582 -2.648 1.00 0.00 H new ATOM 0 HA THR A 46 -2.383 3.263 -4.389 1.00 0.00 H new ATOM 0 HB THR A 46 -0.512 5.440 -3.563 1.00 0.00 H new ATOM 0 HG1 THR A 46 -2.217 6.544 -4.540 1.00 0.00 H new ATOM 0 HG21 THR A 46 0.558 4.990 -5.746 1.00 0.00 H new ATOM 0 HG22 THR A 46 0.512 3.551 -4.700 1.00 0.00 H new ATOM 0 HG23 THR A 46 -0.640 3.708 -6.048 1.00 0.00 H new ATOM 698 N VAL A 47 -0.602 2.155 -2.915 1.00 0.00 N ATOM 699 CA VAL A 47 0.124 1.354 -1.939 1.00 0.00 C ATOM 700 C VAL A 47 1.556 1.087 -2.374 1.00 0.00 C ATOM 701 O VAL A 47 1.812 0.260 -3.250 1.00 0.00 O ATOM 702 CB VAL A 47 -0.540 -0.005 -1.677 1.00 0.00 C ATOM 703 CG1 VAL A 47 0.443 -0.912 -0.948 1.00 0.00 C ATOM 704 CG2 VAL A 47 -1.829 0.164 -0.886 1.00 0.00 C ATOM 0 H VAL A 47 -0.530 1.819 -3.875 1.00 0.00 H new ATOM 0 HA VAL A 47 0.111 1.948 -1.025 1.00 0.00 H new ATOM 0 HB VAL A 47 -0.805 -0.466 -2.628 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -0.025 -1.878 -0.760 1.00 0.00 H new ATOM 0 HG12 VAL A 47 1.333 -1.053 -1.562 1.00 0.00 H new ATOM 0 HG13 VAL A 47 0.725 -0.455 0.000 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -2.281 -0.813 -0.713 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -1.609 0.637 0.071 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -2.522 0.790 -1.449 1.00 0.00 H new ATOM 714 N SER A 48 2.484 1.779 -1.736 1.00 0.00 N ATOM 715 CA SER A 48 3.897 1.611 -2.025 1.00 0.00 C ATOM 716 C SER A 48 4.441 0.405 -1.270 1.00 0.00 C ATOM 717 O SER A 48 4.519 0.418 -0.038 1.00 0.00 O ATOM 718 CB SER A 48 4.683 2.864 -1.627 1.00 0.00 C ATOM 719 OG SER A 48 5.761 2.534 -0.769 1.00 0.00 O ATOM 0 H SER A 48 2.282 2.467 -1.010 1.00 0.00 H new ATOM 0 HA SER A 48 4.013 1.451 -3.097 1.00 0.00 H new ATOM 0 HB2 SER A 48 5.063 3.359 -2.521 1.00 0.00 H new ATOM 0 HB3 SER A 48 4.020 3.571 -1.129 1.00 0.00 H new ATOM 0 HG SER A 48 5.475 1.842 -0.136 1.00 0.00 H new ATOM 725 N VAL A 49 4.816 -0.635 -2.005 1.00 0.00 N ATOM 726 CA VAL A 49 5.359 -1.839 -1.394 1.00 0.00 C ATOM 727 C VAL A 49 6.817 -2.018 -1.800 1.00 0.00 C ATOM 728 O VAL A 49 7.148 -2.008 -2.987 1.00 0.00 O ATOM 729 CB VAL A 49 4.548 -3.089 -1.781 1.00 0.00 C ATOM 730 CG1 VAL A 49 3.084 -2.909 -1.403 1.00 0.00 C ATOM 731 CG2 VAL A 49 4.694 -3.383 -3.264 1.00 0.00 C ATOM 0 H VAL A 49 4.754 -0.668 -3.023 1.00 0.00 H new ATOM 0 HA VAL A 49 5.294 -1.721 -0.312 1.00 0.00 H new ATOM 0 HB VAL A 49 4.940 -3.943 -1.228 1.00 0.00 H new ATOM 0 HG11 VAL A 49 2.524 -3.801 -1.683 1.00 0.00 H new ATOM 0 HG12 VAL A 49 3.003 -2.752 -0.327 1.00 0.00 H new ATOM 0 HG13 VAL A 49 2.676 -2.045 -1.928 1.00 0.00 H new ATOM 0 HG21 VAL A 49 4.114 -4.270 -3.518 1.00 0.00 H new ATOM 0 HG22 VAL A 49 4.329 -2.533 -3.841 1.00 0.00 H new ATOM 0 HG23 VAL A 49 5.744 -3.557 -3.499 1.00 0.00 H new ATOM 741 N PHE A 50 7.693 -2.141 -0.808 1.00 0.00 N ATOM 742 CA PHE A 50 9.122 -2.275 -1.069 1.00 0.00 C ATOM 743 C PHE A 50 9.715 -3.531 -0.441 1.00 0.00 C ATOM 744 O PHE A 50 9.447 -3.856 0.721 1.00 0.00 O ATOM 745 CB PHE A 50 9.857 -1.041 -0.554 1.00 0.00 C ATOM 746 CG PHE A 50 11.289 -1.292 -0.181 1.00 0.00 C ATOM 747 CD1 PHE A 50 11.616 -2.235 0.777 1.00 0.00 C ATOM 748 CD2 PHE A 50 12.307 -0.573 -0.787 1.00 0.00 C ATOM 749 CE1 PHE A 50 12.933 -2.461 1.125 1.00 0.00 C ATOM 750 CE2 PHE A 50 13.625 -0.792 -0.441 1.00 0.00 C ATOM 751 CZ PHE A 50 13.938 -1.738 0.514 1.00 0.00 C ATOM 0 H PHE A 50 7.440 -2.151 0.180 1.00 0.00 H new ATOM 0 HA PHE A 50 9.248 -2.364 -2.148 1.00 0.00 H new ATOM 0 HB2 PHE A 50 9.823 -0.265 -1.319 1.00 0.00 H new ATOM 0 HB3 PHE A 50 9.328 -0.654 0.317 1.00 0.00 H new ATOM 0 HD1 PHE A 50 10.832 -2.801 1.258 1.00 0.00 H new ATOM 0 HD2 PHE A 50 12.067 0.166 -1.537 1.00 0.00 H new ATOM 0 HE1 PHE A 50 13.176 -3.201 1.873 1.00 0.00 H new ATOM 0 HE2 PHE A 50 14.411 -0.224 -0.917 1.00 0.00 H new ATOM 0 HZ PHE A 50 14.969 -1.913 0.783 1.00 0.00 H new ATOM 761 N THR A 51 10.533 -4.225 -1.230 1.00 0.00 N ATOM 762 CA THR A 51 11.195 -5.442 -0.785 1.00 0.00 C ATOM 763 C THR A 51 12.674 -5.178 -0.518 1.00 0.00 C ATOM 764 O THR A 51 13.451 -4.975 -1.451 1.00 0.00 O ATOM 765 CB THR A 51 11.048 -6.528 -1.851 1.00 0.00 C ATOM 766 OG1 THR A 51 9.847 -7.254 -1.669 1.00 0.00 O ATOM 767 CG2 THR A 51 12.190 -7.522 -1.861 1.00 0.00 C ATOM 0 H THR A 51 10.752 -3.959 -2.190 1.00 0.00 H new ATOM 0 HA THR A 51 10.727 -5.776 0.141 1.00 0.00 H new ATOM 0 HB THR A 51 11.046 -5.995 -2.802 1.00 0.00 H new ATOM 0 HG1 THR A 51 9.772 -7.942 -2.363 1.00 0.00 H new ATOM 0 HG21 THR A 51 12.020 -8.264 -2.642 1.00 0.00 H new ATOM 0 HG22 THR A 51 13.126 -6.999 -2.055 1.00 0.00 H new ATOM 0 HG23 THR A 51 12.247 -8.020 -0.893 1.00 0.00 H new ATOM 899 N CYS A 60 12.598 -5.895 -4.915 1.00 0.00 N ATOM 900 CA CYS A 60 11.845 -5.075 -5.855 1.00 0.00 C ATOM 901 C CYS A 60 10.749 -4.286 -5.147 1.00 0.00 C ATOM 902 O CYS A 60 10.265 -4.688 -4.089 1.00 0.00 O ATOM 903 CB CYS A 60 11.224 -5.959 -6.936 1.00 0.00 C ATOM 904 SG CYS A 60 11.683 -5.498 -8.623 1.00 0.00 S ATOM 0 HA CYS A 60 12.536 -4.366 -6.312 1.00 0.00 H new ATOM 0 HB2 CYS A 60 11.522 -6.993 -6.760 1.00 0.00 H new ATOM 0 HB3 CYS A 60 10.139 -5.920 -6.843 1.00 0.00 H new ATOM 0 HG CYS A 60 11.110 -6.306 -9.465 1.00 0.00 H new ATOM 910 N ILE A 61 10.346 -3.174 -5.751 1.00 0.00 N ATOM 911 CA ILE A 61 9.286 -2.346 -5.192 1.00 0.00 C ATOM 912 C ILE A 61 8.051 -2.402 -6.072 1.00 0.00 C ATOM 913 O ILE A 61 8.151 -2.540 -7.291 1.00 0.00 O ATOM 914 CB ILE A 61 9.708 -0.873 -5.038 1.00 0.00 C ATOM 915 CG1 ILE A 61 10.633 -0.707 -3.836 1.00 0.00 C ATOM 916 CG2 ILE A 61 8.476 0.014 -4.893 1.00 0.00 C ATOM 917 CD1 ILE A 61 12.042 -1.184 -4.097 1.00 0.00 C ATOM 0 H ILE A 61 10.737 -2.826 -6.626 1.00 0.00 H new ATOM 0 HA ILE A 61 9.071 -2.748 -4.202 1.00 0.00 H new ATOM 0 HB ILE A 61 10.252 -0.569 -5.933 1.00 0.00 H new ATOM 0 HG12 ILE A 61 10.660 0.344 -3.549 1.00 0.00 H new ATOM 0 HG13 ILE A 61 10.221 -1.258 -2.990 1.00 0.00 H new ATOM 0 HG21 ILE A 61 8.787 1.053 -4.785 1.00 0.00 H new ATOM 0 HG22 ILE A 61 7.849 -0.087 -5.779 1.00 0.00 H new ATOM 0 HG23 ILE A 61 7.911 -0.289 -4.012 1.00 0.00 H new ATOM 0 HD11 ILE A 61 12.647 -1.038 -3.202 1.00 0.00 H new ATOM 0 HD12 ILE A 61 12.026 -2.243 -4.355 1.00 0.00 H new ATOM 0 HD13 ILE A 61 12.471 -0.616 -4.922 1.00 0.00 H new ATOM 929 N LYS A 62 6.891 -2.286 -5.453 1.00 0.00 N ATOM 930 CA LYS A 62 5.638 -2.317 -6.188 1.00 0.00 C ATOM 931 C LYS A 62 4.658 -1.296 -5.629 1.00 0.00 C ATOM 932 O LYS A 62 4.509 -1.154 -4.413 1.00 0.00 O ATOM 933 CB LYS A 62 5.025 -3.718 -6.153 1.00 0.00 C ATOM 934 CG LYS A 62 6.061 -4.831 -6.140 1.00 0.00 C ATOM 935 CD LYS A 62 5.565 -6.061 -6.884 1.00 0.00 C ATOM 936 CE LYS A 62 4.830 -5.681 -8.159 1.00 0.00 C ATOM 937 NZ LYS A 62 3.354 -5.662 -7.964 1.00 0.00 N ATOM 0 H LYS A 62 6.789 -2.170 -4.445 1.00 0.00 H new ATOM 0 HA LYS A 62 5.849 -2.058 -7.226 1.00 0.00 H new ATOM 0 HB2 LYS A 62 4.394 -3.808 -5.269 1.00 0.00 H new ATOM 0 HB3 LYS A 62 4.377 -3.845 -7.021 1.00 0.00 H new ATOM 0 HG2 LYS A 62 6.985 -4.476 -6.597 1.00 0.00 H new ATOM 0 HG3 LYS A 62 6.297 -5.098 -5.110 1.00 0.00 H new ATOM 0 HD2 LYS A 62 6.410 -6.705 -7.128 1.00 0.00 H new ATOM 0 HD3 LYS A 62 4.902 -6.636 -6.238 1.00 0.00 H new ATOM 0 HE2 LYS A 62 5.165 -4.699 -8.492 1.00 0.00 H new ATOM 0 HE3 LYS A 62 5.083 -6.389 -8.949 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 2.949 -4.842 -8.459 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 2.942 -6.536 -8.348 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 3.139 -5.595 -6.949 1.00 0.00 H new ATOM 951 N HIS A 63 3.994 -0.584 -6.530 1.00 0.00 N ATOM 952 CA HIS A 63 3.028 0.425 -6.146 1.00 0.00 C ATOM 953 C HIS A 63 1.618 -0.070 -6.441 1.00 0.00 C ATOM 954 O HIS A 63 1.190 -0.108 -7.594 1.00 0.00 O ATOM 955 CB HIS A 63 3.311 1.716 -6.910 1.00 0.00 C ATOM 956 CG HIS A 63 4.772 1.999 -7.066 1.00 0.00 C ATOM 957 ND1 HIS A 63 5.518 2.705 -6.149 1.00 0.00 N ATOM 958 CD2 HIS A 63 5.629 1.650 -8.059 1.00 0.00 C ATOM 959 CE1 HIS A 63 6.778 2.762 -6.602 1.00 0.00 C ATOM 960 NE2 HIS A 63 6.899 2.137 -7.757 1.00 0.00 N ATOM 0 H HIS A 63 4.111 -0.691 -7.538 1.00 0.00 H new ATOM 0 HA HIS A 63 3.110 0.621 -5.077 1.00 0.00 H new ATOM 0 HB2 HIS A 63 2.852 1.655 -7.897 1.00 0.00 H new ATOM 0 HB3 HIS A 63 2.839 2.550 -6.390 1.00 0.00 H new ATOM 0 HD2 HIS A 63 5.368 1.085 -8.942 1.00 0.00 H new ATOM 0 HE1 HIS A 63 7.589 3.256 -6.088 1.00 0.00 H new ATOM 0 HE2 HIS A 63 7.747 2.032 -8.314 1.00 0.00 H new ATOM 968 N TYR A 64 0.908 -0.466 -5.393 1.00 0.00 N ATOM 969 CA TYR A 64 -0.447 -0.980 -5.539 1.00 0.00 C ATOM 970 C TYR A 64 -1.483 0.089 -5.240 1.00 0.00 C ATOM 971 O TYR A 64 -1.496 0.657 -4.152 1.00 0.00 O ATOM 972 CB TYR A 64 -0.653 -2.159 -4.596 1.00 0.00 C ATOM 973 CG TYR A 64 0.416 -3.205 -4.732 1.00 0.00 C ATOM 974 CD1 TYR A 64 0.551 -3.929 -5.902 1.00 0.00 C ATOM 975 CD2 TYR A 64 1.291 -3.460 -3.692 1.00 0.00 C ATOM 976 CE1 TYR A 64 1.532 -4.887 -6.036 1.00 0.00 C ATOM 977 CE2 TYR A 64 2.279 -4.417 -3.812 1.00 0.00 C ATOM 978 CZ TYR A 64 2.395 -5.129 -4.988 1.00 0.00 C ATOM 979 OH TYR A 64 3.376 -6.085 -5.115 1.00 0.00 O ATOM 0 H TYR A 64 1.248 -0.441 -4.432 1.00 0.00 H new ATOM 0 HA TYR A 64 -0.574 -1.300 -6.573 1.00 0.00 H new ATOM 0 HB2 TYR A 64 -0.673 -1.797 -3.568 1.00 0.00 H new ATOM 0 HB3 TYR A 64 -1.625 -2.611 -4.793 1.00 0.00 H new ATOM 0 HD1 TYR A 64 -0.123 -3.741 -6.724 1.00 0.00 H new ATOM 0 HD2 TYR A 64 1.200 -2.902 -2.772 1.00 0.00 H new ATOM 0 HE1 TYR A 64 1.625 -5.445 -6.956 1.00 0.00 H new ATOM 0 HE2 TYR A 64 2.956 -4.607 -2.992 1.00 0.00 H new ATOM 0 HH TYR A 64 3.015 -6.863 -5.590 1.00 0.00 H new ATOM 989 N HIS A 65 -2.370 0.348 -6.193 1.00 0.00 N ATOM 990 CA HIS A 65 -3.408 1.338 -5.976 1.00 0.00 C ATOM 991 C HIS A 65 -4.702 0.677 -5.560 1.00 0.00 C ATOM 992 O HIS A 65 -5.275 -0.118 -6.306 1.00 0.00 O ATOM 993 CB HIS A 65 -3.655 2.198 -7.210 1.00 0.00 C ATOM 994 CG HIS A 65 -4.241 3.518 -6.854 1.00 0.00 C ATOM 995 ND1 HIS A 65 -3.612 4.439 -6.054 1.00 0.00 N ATOM 996 CD2 HIS A 65 -5.447 4.046 -7.160 1.00 0.00 C ATOM 997 CE1 HIS A 65 -4.441 5.473 -5.895 1.00 0.00 C ATOM 998 NE2 HIS A 65 -5.570 5.287 -6.549 1.00 0.00 N ATOM 0 H HIS A 65 -2.390 -0.106 -7.106 1.00 0.00 H new ATOM 0 HA HIS A 65 -3.054 1.988 -5.176 1.00 0.00 H new ATOM 0 HB2 HIS A 65 -2.716 2.349 -7.742 1.00 0.00 H new ATOM 0 HB3 HIS A 65 -4.326 1.674 -7.890 1.00 0.00 H new ATOM 0 HD1 HIS A 65 -2.678 4.349 -5.653 1.00 0.00 H new ATOM 0 HD2 HIS A 65 -6.196 3.577 -7.781 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -4.215 6.350 -5.306 1.00 0.00 H new ATOM 1006 N ILE A 66 -5.169 1.012 -4.366 1.00 0.00 N ATOM 1007 CA ILE A 66 -6.408 0.444 -3.875 1.00 0.00 C ATOM 1008 C ILE A 66 -7.540 0.783 -4.825 1.00 0.00 C ATOM 1009 O ILE A 66 -8.018 1.915 -4.858 1.00 0.00 O ATOM 1010 CB ILE A 66 -6.757 0.964 -2.467 1.00 0.00 C ATOM 1011 CG1 ILE A 66 -5.521 1.549 -1.787 1.00 0.00 C ATOM 1012 CG2 ILE A 66 -7.344 -0.153 -1.621 1.00 0.00 C ATOM 1013 CD1 ILE A 66 -4.284 0.693 -1.938 1.00 0.00 C ATOM 0 H ILE A 66 -4.713 1.666 -3.729 1.00 0.00 H new ATOM 0 HA ILE A 66 -6.274 -0.636 -3.816 1.00 0.00 H new ATOM 0 HB ILE A 66 -7.501 1.754 -2.568 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -5.322 2.537 -2.202 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -5.731 1.685 -0.726 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -7.585 0.230 -0.629 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -8.250 -0.530 -2.095 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -6.618 -0.961 -1.531 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -3.446 1.171 -1.430 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -4.464 -0.287 -1.497 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -4.049 0.577 -2.996 1.00 0.00 H new ATOM 1025 N LYS A 67 -7.970 -0.207 -5.594 1.00 0.00 N ATOM 1026 CA LYS A 67 -9.054 -0.007 -6.539 1.00 0.00 C ATOM 1027 C LYS A 67 -10.351 0.205 -5.778 1.00 0.00 C ATOM 1028 O LYS A 67 -10.474 -0.241 -4.639 1.00 0.00 O ATOM 1029 CB LYS A 67 -9.177 -1.206 -7.480 1.00 0.00 C ATOM 1030 CG LYS A 67 -10.152 -0.982 -8.625 1.00 0.00 C ATOM 1031 CD LYS A 67 -9.501 -0.224 -9.771 1.00 0.00 C ATOM 1032 CE LYS A 67 -8.489 0.791 -9.265 1.00 0.00 C ATOM 1033 NZ LYS A 67 -7.731 1.422 -10.380 1.00 0.00 N ATOM 0 H LYS A 67 -7.586 -1.152 -5.581 1.00 0.00 H new ATOM 0 HA LYS A 67 -8.842 0.875 -7.144 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -8.194 -1.438 -7.890 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -9.496 -2.076 -6.907 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -10.519 -1.943 -8.985 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -11.017 -0.425 -8.264 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -9.007 -0.928 -10.440 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -10.268 0.285 -10.354 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -9.004 1.563 -8.693 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -7.793 0.301 -8.584 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -7.051 2.108 -9.993 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -7.219 0.689 -10.911 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -8.392 1.911 -11.016 1.00 0.00 H new ATOM 1047 N GLU A 68 -11.305 0.888 -6.406 1.00 0.00 N ATOM 1048 CA GLU A 68 -12.592 1.168 -5.775 1.00 0.00 C ATOM 1049 C GLU A 68 -13.720 0.458 -6.514 1.00 0.00 C ATOM 1050 O GLU A 68 -13.762 0.454 -7.745 1.00 0.00 O ATOM 1051 CB GLU A 68 -12.860 2.677 -5.773 1.00 0.00 C ATOM 1052 CG GLU A 68 -12.126 3.437 -4.680 1.00 0.00 C ATOM 1053 CD GLU A 68 -12.170 4.937 -4.891 1.00 0.00 C ATOM 1054 OE1 GLU A 68 -11.632 5.408 -5.915 1.00 0.00 O ATOM 1055 OE2 GLU A 68 -12.743 5.641 -4.033 1.00 0.00 O ATOM 0 H GLU A 68 -11.211 1.258 -7.352 1.00 0.00 H new ATOM 0 HA GLU A 68 -12.554 0.802 -4.749 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -12.573 3.087 -6.741 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -13.931 2.845 -5.661 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -12.568 3.196 -3.713 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -11.087 3.108 -4.647 1.00 0.00 H new ATOM 1062 N THR A 69 -14.634 -0.136 -5.756 1.00 0.00 N ATOM 1063 CA THR A 69 -15.764 -0.843 -6.338 1.00 0.00 C ATOM 1064 C THR A 69 -16.922 -0.889 -5.353 1.00 0.00 C ATOM 1065 O THR A 69 -17.022 -1.808 -4.542 1.00 0.00 O ATOM 1066 CB THR A 69 -15.357 -2.263 -6.739 1.00 0.00 C ATOM 1067 OG1 THR A 69 -16.492 -3.020 -7.120 1.00 0.00 O ATOM 1068 CG2 THR A 69 -14.651 -3.018 -5.634 1.00 0.00 C ATOM 0 H THR A 69 -14.613 -0.141 -4.736 1.00 0.00 H new ATOM 0 HA THR A 69 -16.084 -0.307 -7.231 1.00 0.00 H new ATOM 0 HB THR A 69 -14.665 -2.141 -7.572 1.00 0.00 H new ATOM 0 HG1 THR A 69 -16.212 -3.924 -7.374 1.00 0.00 H new ATOM 0 HG21 THR A 69 -14.390 -4.017 -5.985 1.00 0.00 H new ATOM 0 HG22 THR A 69 -13.744 -2.484 -5.351 1.00 0.00 H new ATOM 0 HG23 THR A 69 -15.310 -3.098 -4.769 1.00 0.00 H new ATOM 1127 N LYS A 74 -17.098 -3.214 0.481 1.00 0.00 N ATOM 1128 CA LYS A 74 -15.852 -3.484 -0.232 1.00 0.00 C ATOM 1129 C LYS A 74 -15.730 -2.633 -1.488 1.00 0.00 C ATOM 1130 O LYS A 74 -16.106 -3.055 -2.578 1.00 0.00 O ATOM 1131 CB LYS A 74 -15.758 -4.969 -0.589 1.00 0.00 C ATOM 1132 CG LYS A 74 -16.325 -5.886 0.482 1.00 0.00 C ATOM 1133 CD LYS A 74 -17.780 -6.229 0.210 1.00 0.00 C ATOM 1134 CE LYS A 74 -17.904 -7.398 -0.752 1.00 0.00 C ATOM 1135 NZ LYS A 74 -19.326 -7.763 -1.004 1.00 0.00 N ATOM 0 HA LYS A 74 -15.027 -3.221 0.430 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -16.289 -5.144 -1.525 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -14.713 -5.228 -0.762 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -15.736 -6.802 0.526 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -16.240 -5.405 1.456 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -18.279 -6.473 1.148 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -18.289 -5.359 -0.205 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -17.422 -7.144 -1.696 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -17.375 -8.260 -0.346 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -19.367 -8.565 -1.665 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -19.780 -8.030 -0.107 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -19.826 -6.949 -1.416 1.00 0.00 H new ATOM 1149 N ARG A 75 -15.188 -1.434 -1.324 1.00 0.00 N ATOM 1150 CA ARG A 75 -15.003 -0.523 -2.440 1.00 0.00 C ATOM 1151 C ARG A 75 -13.577 -0.584 -2.964 1.00 0.00 C ATOM 1152 O ARG A 75 -13.346 -0.765 -4.158 1.00 0.00 O ATOM 1153 CB ARG A 75 -15.311 0.909 -2.016 1.00 0.00 C ATOM 1154 CG ARG A 75 -16.764 1.303 -2.207 1.00 0.00 C ATOM 1155 CD ARG A 75 -17.095 2.571 -1.442 1.00 0.00 C ATOM 1156 NE ARG A 75 -16.716 2.470 -0.036 1.00 0.00 N ATOM 1157 CZ ARG A 75 -17.381 3.065 0.951 1.00 0.00 C ATOM 1158 NH1 ARG A 75 -18.452 3.799 0.682 1.00 0.00 N ATOM 1159 NH2 ARG A 75 -16.974 2.926 2.204 1.00 0.00 N ATOM 0 H ARG A 75 -14.869 -1.071 -0.426 1.00 0.00 H new ATOM 0 HA ARG A 75 -15.688 -0.829 -3.230 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -15.045 1.033 -0.966 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -14.681 1.591 -2.587 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -16.967 1.452 -3.268 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -17.410 0.493 -1.870 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -16.579 3.416 -1.898 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -18.164 2.772 -1.517 1.00 0.00 H new ATOM 0 HE ARG A 75 -15.896 1.912 0.203 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -18.767 3.908 -0.282 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -18.961 4.255 1.439 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -16.150 2.362 2.413 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -17.485 3.383 2.960 1.00 0.00 H new ATOM 1173 N TYR A 76 -12.624 -0.389 -2.064 1.00 0.00 N ATOM 1174 CA TYR A 76 -11.217 -0.374 -2.438 1.00 0.00 C ATOM 1175 C TYR A 76 -10.616 -1.771 -2.511 1.00 0.00 C ATOM 1176 O TYR A 76 -11.061 -2.693 -1.829 1.00 0.00 O ATOM 1177 CB TYR A 76 -10.450 0.510 -1.464 1.00 0.00 C ATOM 1178 CG TYR A 76 -11.234 1.742 -1.109 1.00 0.00 C ATOM 1179 CD1 TYR A 76 -12.403 2.039 -1.793 1.00 0.00 C ATOM 1180 CD2 TYR A 76 -10.822 2.597 -0.102 1.00 0.00 C ATOM 1181 CE1 TYR A 76 -13.145 3.153 -1.486 1.00 0.00 C ATOM 1182 CE2 TYR A 76 -11.559 3.720 0.216 1.00 0.00 C ATOM 1183 CZ TYR A 76 -12.722 3.996 -0.478 1.00 0.00 C ATOM 1184 OH TYR A 76 -13.460 5.113 -0.164 1.00 0.00 O ATOM 0 H TYR A 76 -12.799 -0.239 -1.070 1.00 0.00 H new ATOM 0 HA TYR A 76 -11.136 0.038 -3.444 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -10.225 -0.053 -0.559 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -9.496 0.798 -1.906 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -12.736 1.382 -2.582 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -9.913 2.383 0.441 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -14.053 3.368 -2.029 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -11.228 4.380 1.004 1.00 0.00 H new ATOM 0 HH TYR A 76 -13.025 5.597 0.568 1.00 0.00 H new ATOM 1194 N TYR A 77 -9.605 -1.912 -3.364 1.00 0.00 N ATOM 1195 CA TYR A 77 -8.931 -3.199 -3.559 1.00 0.00 C ATOM 1196 C TYR A 77 -7.796 -3.083 -4.575 1.00 0.00 C ATOM 1197 O TYR A 77 -7.929 -2.400 -5.589 1.00 0.00 O ATOM 1198 CB TYR A 77 -9.937 -4.244 -4.040 1.00 0.00 C ATOM 1199 CG TYR A 77 -10.239 -4.142 -5.512 1.00 0.00 C ATOM 1200 CD1 TYR A 77 -11.099 -3.162 -5.988 1.00 0.00 C ATOM 1201 CD2 TYR A 77 -9.663 -5.015 -6.424 1.00 0.00 C ATOM 1202 CE1 TYR A 77 -11.381 -3.052 -7.335 1.00 0.00 C ATOM 1203 CE2 TYR A 77 -9.938 -4.911 -7.776 1.00 0.00 C ATOM 1204 CZ TYR A 77 -10.798 -3.929 -8.225 1.00 0.00 C ATOM 1205 OH TYR A 77 -11.074 -3.823 -9.569 1.00 0.00 O ATOM 0 H TYR A 77 -9.232 -1.152 -3.933 1.00 0.00 H new ATOM 0 HA TYR A 77 -8.507 -3.504 -2.602 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -9.549 -5.239 -3.823 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -10.864 -4.133 -3.477 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -11.556 -2.473 -5.292 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -8.992 -5.785 -6.074 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -12.053 -2.285 -7.689 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -9.482 -5.595 -8.477 1.00 0.00 H new ATOM 0 HH TYR A 77 -10.235 -3.816 -10.076 1.00 0.00 H new ATOM 1215 N VAL A 78 -6.684 -3.764 -4.307 1.00 0.00 N ATOM 1216 CA VAL A 78 -5.537 -3.735 -5.212 1.00 0.00 C ATOM 1217 C VAL A 78 -5.204 -5.120 -5.740 1.00 0.00 C ATOM 1218 O VAL A 78 -4.255 -5.754 -5.278 1.00 0.00 O ATOM 1219 CB VAL A 78 -4.275 -3.175 -4.532 1.00 0.00 C ATOM 1220 CG1 VAL A 78 -4.572 -1.860 -3.836 1.00 0.00 C ATOM 1221 CG2 VAL A 78 -3.697 -4.187 -3.556 1.00 0.00 C ATOM 0 H VAL A 78 -6.553 -4.340 -3.475 1.00 0.00 H new ATOM 0 HA VAL A 78 -5.830 -3.081 -6.034 1.00 0.00 H new ATOM 0 HB VAL A 78 -3.530 -2.984 -5.304 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -3.664 -1.485 -3.363 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -4.927 -1.134 -4.567 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -5.339 -2.015 -3.077 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -2.806 -3.771 -3.086 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -4.437 -4.417 -2.790 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -3.433 -5.099 -4.091 1.00 0.00 H new ATOM 1231 N ALA A 79 -5.973 -5.584 -6.715 1.00 0.00 N ATOM 1232 CA ALA A 79 -5.731 -6.894 -7.302 1.00 0.00 C ATOM 1233 C ALA A 79 -7.026 -7.670 -7.501 1.00 0.00 C ATOM 1234 O ALA A 79 -7.017 -8.900 -7.527 1.00 0.00 O ATOM 1235 CB ALA A 79 -4.785 -7.693 -6.416 1.00 0.00 C ATOM 0 H ALA A 79 -6.764 -5.078 -7.114 1.00 0.00 H new ATOM 0 HA ALA A 79 -5.278 -6.740 -8.281 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -4.609 -8.672 -6.862 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -3.838 -7.161 -6.322 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -5.230 -7.819 -5.429 1.00 0.00 H new ATOM 1241 N GLU A 80 -8.144 -6.963 -7.620 1.00 0.00 N ATOM 1242 CA GLU A 80 -9.424 -7.639 -7.782 1.00 0.00 C ATOM 1243 C GLU A 80 -9.461 -8.821 -6.831 1.00 0.00 C ATOM 1244 O GLU A 80 -10.173 -9.803 -7.044 1.00 0.00 O ATOM 1245 CB GLU A 80 -9.610 -8.109 -9.226 1.00 0.00 C ATOM 1246 CG GLU A 80 -9.926 -6.984 -10.198 1.00 0.00 C ATOM 1247 CD GLU A 80 -10.654 -7.470 -11.436 1.00 0.00 C ATOM 1248 OE1 GLU A 80 -11.858 -7.785 -11.332 1.00 0.00 O ATOM 1249 OE2 GLU A 80 -10.019 -7.535 -12.510 1.00 0.00 O ATOM 0 H GLU A 80 -8.191 -5.944 -7.608 1.00 0.00 H new ATOM 0 HA GLU A 80 -10.237 -6.949 -7.554 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -8.703 -8.616 -9.554 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -10.415 -8.843 -9.259 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -10.535 -6.234 -9.694 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -8.999 -6.494 -10.495 1.00 0.00 H new ATOM 1256 N LYS A 81 -8.653 -8.706 -5.784 1.00 0.00 N ATOM 1257 CA LYS A 81 -8.522 -9.736 -4.768 1.00 0.00 C ATOM 1258 C LYS A 81 -9.560 -9.577 -3.665 1.00 0.00 C ATOM 1259 O LYS A 81 -10.578 -10.269 -3.640 1.00 0.00 O ATOM 1260 CB LYS A 81 -7.137 -9.644 -4.136 1.00 0.00 C ATOM 1261 CG LYS A 81 -5.984 -9.879 -5.092 1.00 0.00 C ATOM 1262 CD LYS A 81 -4.667 -9.445 -4.471 1.00 0.00 C ATOM 1263 CE LYS A 81 -4.078 -10.528 -3.589 1.00 0.00 C ATOM 1264 NZ LYS A 81 -3.808 -10.023 -2.218 1.00 0.00 N ATOM 0 H LYS A 81 -8.067 -7.888 -5.617 1.00 0.00 H new ATOM 0 HA LYS A 81 -8.673 -10.701 -5.253 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -7.023 -8.657 -3.687 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -7.073 -10.371 -3.327 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -5.935 -10.935 -5.356 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -6.154 -9.327 -6.016 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -3.958 -9.193 -5.260 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -4.823 -8.541 -3.882 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -4.766 -11.372 -3.539 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -3.153 -10.897 -4.032 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -3.080 -10.614 -1.768 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -3.473 -9.040 -2.270 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -4.682 -10.062 -1.655 1.00 0.00 H new ATOM 1278 N TYR A 82 -9.270 -8.664 -2.745 1.00 0.00 N ATOM 1279 CA TYR A 82 -10.140 -8.395 -1.611 1.00 0.00 C ATOM 1280 C TYR A 82 -10.498 -6.922 -1.554 1.00 0.00 C ATOM 1281 O TYR A 82 -9.656 -6.084 -1.232 1.00 0.00 O ATOM 1282 CB TYR A 82 -9.451 -8.788 -0.301 1.00 0.00 C ATOM 1283 CG TYR A 82 -8.492 -9.947 -0.425 1.00 0.00 C ATOM 1284 CD1 TYR A 82 -7.511 -9.958 -1.404 1.00 0.00 C ATOM 1285 CD2 TYR A 82 -8.563 -11.028 0.442 1.00 0.00 C ATOM 1286 CE1 TYR A 82 -6.627 -11.009 -1.522 1.00 0.00 C ATOM 1287 CE2 TYR A 82 -7.682 -12.085 0.336 1.00 0.00 C ATOM 1288 CZ TYR A 82 -6.715 -12.073 -0.648 1.00 0.00 C ATOM 1289 OH TYR A 82 -5.836 -13.125 -0.759 1.00 0.00 O ATOM 0 H TYR A 82 -8.426 -8.091 -2.766 1.00 0.00 H new ATOM 0 HA TYR A 82 -11.047 -8.986 -1.737 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -8.910 -7.924 0.084 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -10.214 -9.041 0.435 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -7.438 -9.126 -2.089 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -9.320 -11.042 1.212 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -5.871 -11.000 -2.293 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -7.749 -12.918 1.020 1.00 0.00 H new ATOM 0 HH TYR A 82 -5.200 -12.945 -1.483 1.00 0.00 H new ATOM 1299 N VAL A 83 -11.746 -6.603 -1.856 1.00 0.00 N ATOM 1300 CA VAL A 83 -12.184 -5.222 -1.816 1.00 0.00 C ATOM 1301 C VAL A 83 -12.594 -4.831 -0.410 1.00 0.00 C ATOM 1302 O VAL A 83 -13.148 -5.638 0.338 1.00 0.00 O ATOM 1303 CB VAL A 83 -13.343 -4.954 -2.787 1.00 0.00 C ATOM 1304 CG1 VAL A 83 -13.440 -3.469 -3.094 1.00 0.00 C ATOM 1305 CG2 VAL A 83 -13.166 -5.764 -4.061 1.00 0.00 C ATOM 0 H VAL A 83 -12.464 -7.274 -2.128 1.00 0.00 H new ATOM 0 HA VAL A 83 -11.337 -4.612 -2.130 1.00 0.00 H new ATOM 0 HB VAL A 83 -14.275 -5.266 -2.316 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -14.266 -3.293 -3.783 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -13.615 -2.917 -2.170 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -12.509 -3.130 -3.549 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -13.996 -5.563 -4.738 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -12.229 -5.485 -4.542 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -13.146 -6.826 -3.817 1.00 0.00 H new ATOM 1315 N PHE A 84 -12.301 -3.594 -0.054 1.00 0.00 N ATOM 1316 CA PHE A 84 -12.618 -3.090 1.270 1.00 0.00 C ATOM 1317 C PHE A 84 -13.167 -1.671 1.195 1.00 0.00 C ATOM 1318 O PHE A 84 -13.163 -1.045 0.133 1.00 0.00 O ATOM 1319 CB PHE A 84 -11.372 -3.136 2.157 1.00 0.00 C ATOM 1320 CG PHE A 84 -10.672 -4.469 2.134 1.00 0.00 C ATOM 1321 CD1 PHE A 84 -9.773 -4.782 1.124 1.00 0.00 C ATOM 1322 CD2 PHE A 84 -10.918 -5.409 3.120 1.00 0.00 C ATOM 1323 CE1 PHE A 84 -9.131 -6.010 1.100 1.00 0.00 C ATOM 1324 CE2 PHE A 84 -10.282 -6.639 3.101 1.00 0.00 C ATOM 1325 CZ PHE A 84 -9.388 -6.939 2.090 1.00 0.00 C ATOM 0 H PHE A 84 -11.843 -2.918 -0.665 1.00 0.00 H new ATOM 0 HA PHE A 84 -13.388 -3.725 1.707 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -10.676 -2.362 1.833 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -11.656 -2.900 3.183 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -9.571 -4.060 0.347 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -11.614 -5.180 3.913 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -8.432 -6.240 0.310 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -10.484 -7.364 3.876 1.00 0.00 H new ATOM 0 HZ PHE A 84 -8.891 -7.898 2.074 1.00 0.00 H new ATOM 1335 N ASP A 85 -13.644 -1.172 2.328 1.00 0.00 N ATOM 1336 CA ASP A 85 -14.204 0.169 2.396 1.00 0.00 C ATOM 1337 C ASP A 85 -13.140 1.188 2.783 1.00 0.00 C ATOM 1338 O ASP A 85 -13.440 2.365 2.975 1.00 0.00 O ATOM 1339 CB ASP A 85 -15.356 0.212 3.400 1.00 0.00 C ATOM 1340 CG ASP A 85 -16.712 0.278 2.723 1.00 0.00 C ATOM 1341 OD1 ASP A 85 -16.748 0.414 1.482 1.00 0.00 O ATOM 1342 OD2 ASP A 85 -17.735 0.196 3.434 1.00 0.00 O ATOM 0 H ASP A 85 -13.654 -1.678 3.214 1.00 0.00 H new ATOM 0 HA ASP A 85 -14.582 0.426 1.406 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -15.313 -0.672 4.036 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -15.235 1.078 4.050 1.00 0.00 H new ATOM 1347 N SER A 86 -11.897 0.733 2.898 1.00 0.00 N ATOM 1348 CA SER A 86 -10.803 1.621 3.262 1.00 0.00 C ATOM 1349 C SER A 86 -9.443 0.939 3.131 1.00 0.00 C ATOM 1350 O SER A 86 -9.300 -0.281 3.334 1.00 0.00 O ATOM 1351 CB SER A 86 -10.992 2.134 4.691 1.00 0.00 C ATOM 1352 OG SER A 86 -10.682 3.514 4.784 1.00 0.00 O ATOM 0 H SER A 86 -11.625 -0.238 2.745 1.00 0.00 H new ATOM 0 HA SER A 86 -10.821 2.460 2.566 1.00 0.00 H new ATOM 0 HB2 SER A 86 -12.022 1.968 5.007 1.00 0.00 H new ATOM 0 HB3 SER A 86 -10.355 1.569 5.371 1.00 0.00 H new ATOM 0 HG SER A 86 -10.813 3.817 5.707 1.00 0.00 H new ATOM 1358 N ILE A 87 -8.441 1.743 2.799 1.00 0.00 N ATOM 1359 CA ILE A 87 -7.087 1.248 2.646 1.00 0.00 C ATOM 1360 C ILE A 87 -6.643 0.493 3.891 1.00 0.00 C ATOM 1361 O ILE A 87 -6.101 -0.602 3.798 1.00 0.00 O ATOM 1362 CB ILE A 87 -6.090 2.391 2.384 1.00 0.00 C ATOM 1363 CG1 ILE A 87 -6.289 2.984 0.985 1.00 0.00 C ATOM 1364 CG2 ILE A 87 -4.666 1.886 2.546 1.00 0.00 C ATOM 1365 CD1 ILE A 87 -7.620 2.642 0.355 1.00 0.00 C ATOM 0 H ILE A 87 -8.545 2.744 2.631 1.00 0.00 H new ATOM 0 HA ILE A 87 -7.093 0.577 1.787 1.00 0.00 H new ATOM 0 HB ILE A 87 -6.273 3.180 3.113 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -6.195 4.068 1.045 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -5.489 2.630 0.335 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -3.967 2.701 2.359 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -4.525 1.513 3.561 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -4.483 1.080 1.835 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -7.683 3.099 -0.633 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -7.711 1.560 0.261 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -8.427 3.021 0.982 1.00 0.00 H new ATOM 1377 N PRO A 88 -6.865 1.070 5.084 1.00 0.00 N ATOM 1378 CA PRO A 88 -6.468 0.435 6.339 1.00 0.00 C ATOM 1379 C PRO A 88 -6.996 -0.985 6.450 1.00 0.00 C ATOM 1380 O PRO A 88 -6.235 -1.907 6.736 1.00 0.00 O ATOM 1381 CB PRO A 88 -7.076 1.324 7.427 1.00 0.00 C ATOM 1382 CG PRO A 88 -7.999 2.264 6.718 1.00 0.00 C ATOM 1383 CD PRO A 88 -7.500 2.373 5.306 1.00 0.00 C ATOM 0 HA PRO A 88 -5.384 0.349 6.419 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -7.615 0.728 8.163 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -6.300 1.869 7.965 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -9.023 1.891 6.739 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -8.005 3.240 7.203 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -8.313 2.552 4.602 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -6.792 3.193 5.190 1.00 0.00 H new ATOM 1391 N LEU A 89 -8.283 -1.180 6.179 1.00 0.00 N ATOM 1392 CA LEU A 89 -8.834 -2.524 6.215 1.00 0.00 C ATOM 1393 C LEU A 89 -8.245 -3.280 5.044 1.00 0.00 C ATOM 1394 O LEU A 89 -7.718 -4.390 5.193 1.00 0.00 O ATOM 1395 CB LEU A 89 -10.364 -2.535 6.138 1.00 0.00 C ATOM 1396 CG LEU A 89 -11.051 -1.184 6.308 1.00 0.00 C ATOM 1397 CD1 LEU A 89 -11.401 -0.604 4.949 1.00 0.00 C ATOM 1398 CD2 LEU A 89 -12.299 -1.327 7.164 1.00 0.00 C ATOM 0 H LEU A 89 -8.947 -0.444 5.938 1.00 0.00 H new ATOM 0 HA LEU A 89 -8.576 -2.992 7.165 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -10.657 -2.950 5.174 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -10.742 -3.212 6.904 1.00 0.00 H new ATOM 0 HG LEU A 89 -10.366 -0.503 6.813 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -11.891 0.361 5.080 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -10.491 -0.472 4.364 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -12.073 -1.284 4.425 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -12.777 -0.354 7.275 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -12.992 -2.019 6.685 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -12.024 -1.711 8.146 1.00 0.00 H new ATOM 1410 N LEU A 90 -8.289 -2.640 3.875 1.00 0.00 N ATOM 1411 CA LEU A 90 -7.714 -3.230 2.682 1.00 0.00 C ATOM 1412 C LEU A 90 -6.259 -3.583 2.964 1.00 0.00 C ATOM 1413 O LEU A 90 -5.760 -4.623 2.533 1.00 0.00 O ATOM 1414 CB LEU A 90 -7.818 -2.258 1.509 1.00 0.00 C ATOM 1415 CG LEU A 90 -7.553 -2.871 0.135 1.00 0.00 C ATOM 1416 CD1 LEU A 90 -8.543 -2.334 -0.884 1.00 0.00 C ATOM 1417 CD2 LEU A 90 -6.124 -2.593 -0.304 1.00 0.00 C ATOM 0 H LEU A 90 -8.714 -1.723 3.736 1.00 0.00 H new ATOM 0 HA LEU A 90 -8.260 -4.135 2.415 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -8.816 -1.819 1.508 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -7.112 -1.443 1.669 1.00 0.00 H new ATOM 0 HG LEU A 90 -7.685 -3.951 0.204 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -8.341 -2.780 -1.858 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -9.557 -2.585 -0.573 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -8.442 -1.251 -0.953 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -5.952 -3.037 -1.285 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -5.963 -1.516 -0.359 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -5.431 -3.027 0.417 1.00 0.00 H new ATOM 1429 N ILE A 91 -5.599 -2.714 3.728 1.00 0.00 N ATOM 1430 CA ILE A 91 -4.213 -2.924 4.123 1.00 0.00 C ATOM 1431 C ILE A 91 -4.162 -3.909 5.276 1.00 0.00 C ATOM 1432 O ILE A 91 -3.332 -4.817 5.304 1.00 0.00 O ATOM 1433 CB ILE A 91 -3.536 -1.610 4.563 1.00 0.00 C ATOM 1434 CG1 ILE A 91 -3.594 -0.581 3.439 1.00 0.00 C ATOM 1435 CG2 ILE A 91 -2.090 -1.868 4.961 1.00 0.00 C ATOM 1436 CD1 ILE A 91 -2.999 -1.088 2.153 1.00 0.00 C ATOM 0 H ILE A 91 -6.009 -1.852 4.087 1.00 0.00 H new ATOM 0 HA ILE A 91 -3.677 -3.312 3.257 1.00 0.00 H new ATOM 0 HB ILE A 91 -4.073 -1.217 5.426 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -4.632 -0.296 3.266 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -3.064 0.319 3.749 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -1.625 -0.932 5.269 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -2.061 -2.577 5.788 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -1.547 -2.280 4.111 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -3.068 -0.313 1.390 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -1.952 -1.347 2.313 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -3.545 -1.972 1.823 1.00 0.00 H new ATOM 1448 N GLN A 92 -5.079 -3.724 6.220 1.00 0.00 N ATOM 1449 CA GLN A 92 -5.169 -4.596 7.376 1.00 0.00 C ATOM 1450 C GLN A 92 -5.373 -6.029 6.921 1.00 0.00 C ATOM 1451 O GLN A 92 -4.873 -6.966 7.544 1.00 0.00 O ATOM 1452 CB GLN A 92 -6.319 -4.163 8.289 1.00 0.00 C ATOM 1453 CG GLN A 92 -5.978 -2.979 9.178 1.00 0.00 C ATOM 1454 CD GLN A 92 -4.493 -2.873 9.463 1.00 0.00 C ATOM 1455 OE1 GLN A 92 -4.054 -3.037 10.602 1.00 0.00 O ATOM 1456 NE2 GLN A 92 -3.708 -2.598 8.427 1.00 0.00 N ATOM 0 H GLN A 92 -5.770 -2.974 6.203 1.00 0.00 H new ATOM 0 HA GLN A 92 -4.239 -4.528 7.941 1.00 0.00 H new ATOM 0 HB2 GLN A 92 -7.183 -3.909 7.675 1.00 0.00 H new ATOM 0 HB3 GLN A 92 -6.611 -5.005 8.916 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -6.319 -2.061 8.700 1.00 0.00 H new ATOM 0 HG3 GLN A 92 -6.520 -3.069 10.120 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -4.113 -2.470 7.500 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -2.700 -2.515 8.559 1.00 0.00 H new ATOM 1465 N TYR A 93 -6.097 -6.198 5.815 1.00 0.00 N ATOM 1466 CA TYR A 93 -6.337 -7.523 5.279 1.00 0.00 C ATOM 1467 C TYR A 93 -5.034 -8.111 4.749 1.00 0.00 C ATOM 1468 O TYR A 93 -4.717 -9.271 5.013 1.00 0.00 O ATOM 1469 CB TYR A 93 -7.391 -7.474 4.177 1.00 0.00 C ATOM 1470 CG TYR A 93 -6.870 -7.938 2.845 1.00 0.00 C ATOM 1471 CD1 TYR A 93 -6.411 -9.236 2.675 1.00 0.00 C ATOM 1472 CD2 TYR A 93 -6.829 -7.078 1.760 1.00 0.00 C ATOM 1473 CE1 TYR A 93 -5.923 -9.662 1.459 1.00 0.00 C ATOM 1474 CE2 TYR A 93 -6.346 -7.497 0.539 1.00 0.00 C ATOM 1475 CZ TYR A 93 -5.892 -8.790 0.393 1.00 0.00 C ATOM 1476 OH TYR A 93 -5.397 -9.207 -0.820 1.00 0.00 O ATOM 0 H TYR A 93 -6.521 -5.438 5.283 1.00 0.00 H new ATOM 0 HA TYR A 93 -6.713 -8.163 6.078 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -8.239 -8.095 4.465 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -7.761 -6.453 4.081 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -6.437 -9.923 3.508 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -7.181 -6.063 1.873 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -5.566 -10.675 1.342 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -6.323 -6.816 -0.299 1.00 0.00 H new ATOM 0 HH TYR A 93 -6.141 -9.414 -1.423 1.00 0.00 H new ATOM 1486 N HIS A 94 -4.259 -7.298 4.022 1.00 0.00 N ATOM 1487 CA HIS A 94 -2.977 -7.760 3.500 1.00 0.00 C ATOM 1488 C HIS A 94 -1.970 -7.847 4.634 1.00 0.00 C ATOM 1489 O HIS A 94 -1.230 -8.823 4.757 1.00 0.00 O ATOM 1490 CB HIS A 94 -2.429 -6.813 2.435 1.00 0.00 C ATOM 1491 CG HIS A 94 -3.304 -6.631 1.240 1.00 0.00 C ATOM 1492 ND1 HIS A 94 -3.443 -7.581 0.252 1.00 0.00 N ATOM 1493 CD2 HIS A 94 -4.057 -5.577 0.857 1.00 0.00 C ATOM 1494 CE1 HIS A 94 -4.242 -7.117 -0.690 1.00 0.00 C ATOM 1495 NE2 HIS A 94 -4.629 -5.902 -0.347 1.00 0.00 N ATOM 0 H HIS A 94 -4.495 -6.334 3.787 1.00 0.00 H new ATOM 0 HA HIS A 94 -3.136 -8.739 3.047 1.00 0.00 H new ATOM 0 HB2 HIS A 94 -2.256 -5.838 2.892 1.00 0.00 H new ATOM 0 HB3 HIS A 94 -1.460 -7.186 2.103 1.00 0.00 H new ATOM 0 HD2 HIS A 94 -4.185 -4.651 1.398 1.00 0.00 H new ATOM 0 HE1 HIS A 94 -4.530 -7.642 -1.589 1.00 0.00 H new ATOM 0 HE2 HIS A 94 -5.252 -5.303 -0.889 1.00 0.00 H new ATOM 1504 N GLN A 95 -1.952 -6.806 5.463 1.00 0.00 N ATOM 1505 CA GLN A 95 -1.041 -6.740 6.594 1.00 0.00 C ATOM 1506 C GLN A 95 -1.085 -8.041 7.387 1.00 0.00 C ATOM 1507 O GLN A 95 -0.060 -8.536 7.854 1.00 0.00 O ATOM 1508 CB GLN A 95 -1.418 -5.570 7.506 1.00 0.00 C ATOM 1509 CG GLN A 95 -0.791 -4.249 7.097 1.00 0.00 C ATOM 1510 CD GLN A 95 0.531 -3.996 7.794 1.00 0.00 C ATOM 1511 OE1 GLN A 95 0.573 -3.412 8.877 1.00 0.00 O ATOM 1512 NE2 GLN A 95 1.617 -4.433 7.173 1.00 0.00 N ATOM 0 H GLN A 95 -2.563 -5.995 5.369 1.00 0.00 H new ATOM 0 HA GLN A 95 -0.030 -6.589 6.215 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -2.502 -5.461 7.512 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -1.116 -5.805 8.527 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -0.637 -4.242 6.018 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -1.481 -3.436 7.326 1.00 0.00 H new ATOM 0 HE21 GLN A 95 1.534 -4.912 6.276 1.00 0.00 H new ATOM 0 HE22 GLN A 95 2.536 -4.290 7.592 1.00 0.00 H new ATOM 1521 N TYR A 96 -2.289 -8.587 7.532 1.00 0.00 N ATOM 1522 CA TYR A 96 -2.489 -9.828 8.266 1.00 0.00 C ATOM 1523 C TYR A 96 -2.771 -10.987 7.315 1.00 0.00 C ATOM 1524 O TYR A 96 -1.861 -11.520 6.681 1.00 0.00 O ATOM 1525 CB TYR A 96 -3.649 -9.671 9.251 1.00 0.00 C ATOM 1526 CG TYR A 96 -3.271 -8.937 10.516 1.00 0.00 C ATOM 1527 CD1 TYR A 96 -2.859 -7.610 10.470 1.00 0.00 C ATOM 1528 CD2 TYR A 96 -3.324 -9.566 11.752 1.00 0.00 C ATOM 1529 CE1 TYR A 96 -2.513 -6.933 11.622 1.00 0.00 C ATOM 1530 CE2 TYR A 96 -2.980 -8.893 12.910 1.00 0.00 C ATOM 1531 CZ TYR A 96 -2.574 -7.577 12.839 1.00 0.00 C ATOM 1532 OH TYR A 96 -2.230 -6.905 13.989 1.00 0.00 O ATOM 0 H TYR A 96 -3.144 -8.185 7.148 1.00 0.00 H new ATOM 0 HA TYR A 96 -1.574 -10.050 8.815 1.00 0.00 H new ATOM 0 HB2 TYR A 96 -4.462 -9.137 8.760 1.00 0.00 H new ATOM 0 HB3 TYR A 96 -4.029 -10.659 9.513 1.00 0.00 H new ATOM 0 HD1 TYR A 96 -2.809 -7.101 9.519 1.00 0.00 H new ATOM 0 HD2 TYR A 96 -3.639 -10.597 11.810 1.00 0.00 H new ATOM 0 HE1 TYR A 96 -2.196 -5.902 11.570 1.00 0.00 H new ATOM 0 HE2 TYR A 96 -3.029 -9.395 13.865 1.00 0.00 H new ATOM 0 HH TYR A 96 -2.329 -7.503 14.759 1.00 0.00 H new ATOM 1542 N ASN A 97 -4.042 -11.370 7.225 1.00 0.00 N ATOM 1543 CA ASN A 97 -4.462 -12.465 6.357 1.00 0.00 C ATOM 1544 C ASN A 97 -3.308 -12.958 5.491 1.00 0.00 C ATOM 1545 O ASN A 97 -2.332 -13.514 5.997 1.00 0.00 O ATOM 1546 CB ASN A 97 -5.626 -12.021 5.470 1.00 0.00 C ATOM 1547 CG ASN A 97 -6.769 -11.425 6.268 1.00 0.00 C ATOM 1548 OD1 ASN A 97 -7.679 -10.814 5.710 1.00 0.00 O ATOM 1549 ND2 ASN A 97 -6.726 -11.602 7.583 1.00 0.00 N ATOM 0 H ASN A 97 -4.803 -10.935 7.746 1.00 0.00 H new ATOM 0 HA ASN A 97 -4.788 -13.289 6.992 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -5.269 -11.286 4.748 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -5.991 -12.876 4.901 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -7.467 -11.224 8.173 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -5.952 -12.116 8.003 1.00 0.00 H new ATOM 1556 N GLY A 98 -3.428 -12.755 4.184 1.00 0.00 N ATOM 1557 CA GLY A 98 -2.389 -13.186 3.268 1.00 0.00 C ATOM 1558 C GLY A 98 -2.443 -12.459 1.939 1.00 0.00 C ATOM 1559 O GLY A 98 -1.434 -12.352 1.242 1.00 0.00 O ATOM 0 H GLY A 98 -4.227 -12.299 3.742 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -1.414 -13.023 3.728 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -2.484 -14.258 3.095 1.00 0.00 H new ATOM 1563 N GLY A 99 -3.622 -11.959 1.585 1.00 0.00 N ATOM 1564 CA GLY A 99 -3.776 -11.247 0.330 1.00 0.00 C ATOM 1565 C GLY A 99 -2.951 -11.859 -0.784 1.00 0.00 C ATOM 1566 O GLY A 99 -3.452 -12.664 -1.570 1.00 0.00 O ATOM 0 H GLY A 99 -4.472 -12.034 2.144 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -4.827 -11.246 0.042 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -3.482 -10.206 0.467 1.00 0.00 H new ATOM 1570 N GLY A 100 -1.686 -11.468 -0.856 1.00 0.00 N ATOM 1571 CA GLY A 100 -0.803 -11.978 -1.887 1.00 0.00 C ATOM 1572 C GLY A 100 0.252 -10.965 -2.273 1.00 0.00 C ATOM 1573 O GLY A 100 1.332 -11.323 -2.743 1.00 0.00 O ATOM 0 H GLY A 100 -1.253 -10.803 -0.215 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -0.320 -12.889 -1.534 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -1.388 -12.247 -2.767 1.00 0.00 H new ATOM 1577 N LEU A 101 -0.064 -9.692 -2.059 1.00 0.00 N ATOM 1578 CA LEU A 101 0.855 -8.606 -2.368 1.00 0.00 C ATOM 1579 C LEU A 101 2.299 -9.046 -2.142 1.00 0.00 C ATOM 1580 O LEU A 101 2.548 -10.062 -1.492 1.00 0.00 O ATOM 1581 CB LEU A 101 0.529 -7.396 -1.492 1.00 0.00 C ATOM 1582 CG LEU A 101 -0.338 -6.322 -2.152 1.00 0.00 C ATOM 1583 CD1 LEU A 101 -1.791 -6.768 -2.209 1.00 0.00 C ATOM 1584 CD2 LEU A 101 -0.210 -5.009 -1.396 1.00 0.00 C ATOM 0 H LEU A 101 -0.956 -9.387 -1.670 1.00 0.00 H new ATOM 0 HA LEU A 101 0.741 -8.333 -3.417 1.00 0.00 H new ATOM 0 HB2 LEU A 101 0.022 -7.746 -0.593 1.00 0.00 H new ATOM 0 HB3 LEU A 101 1.465 -6.938 -1.172 1.00 0.00 H new ATOM 0 HG LEU A 101 0.011 -6.171 -3.174 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -2.392 -5.991 -2.682 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -1.867 -7.688 -2.788 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -2.157 -6.945 -1.198 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -0.831 -4.252 -1.874 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -0.537 -5.149 -0.366 1.00 0.00 H new ATOM 0 HD23 LEU A 101 0.830 -4.684 -1.405 1.00 0.00 H new ATOM 1596 N VAL A 102 3.252 -8.284 -2.676 1.00 0.00 N ATOM 1597 CA VAL A 102 4.665 -8.619 -2.517 1.00 0.00 C ATOM 1598 C VAL A 102 4.868 -9.508 -1.298 1.00 0.00 C ATOM 1599 O VAL A 102 5.645 -10.463 -1.331 1.00 0.00 O ATOM 1600 CB VAL A 102 5.541 -7.361 -2.360 1.00 0.00 C ATOM 1601 CG1 VAL A 102 5.772 -6.694 -3.707 1.00 0.00 C ATOM 1602 CG2 VAL A 102 4.913 -6.389 -1.371 1.00 0.00 C ATOM 0 H VAL A 102 3.074 -7.438 -3.218 1.00 0.00 H new ATOM 0 HA VAL A 102 4.968 -9.145 -3.422 1.00 0.00 H new ATOM 0 HB VAL A 102 6.510 -7.666 -1.965 1.00 0.00 H new ATOM 0 HG11 VAL A 102 6.393 -5.808 -3.573 1.00 0.00 H new ATOM 0 HG12 VAL A 102 6.275 -7.391 -4.377 1.00 0.00 H new ATOM 0 HG13 VAL A 102 4.814 -6.404 -4.138 1.00 0.00 H new ATOM 0 HG21 VAL A 102 5.547 -5.508 -1.275 1.00 0.00 H new ATOM 0 HG22 VAL A 102 3.928 -6.090 -1.730 1.00 0.00 H new ATOM 0 HG23 VAL A 102 4.813 -6.872 -0.399 1.00 0.00 H new ATOM 1612 N THR A 103 4.156 -9.185 -0.227 1.00 0.00 N ATOM 1613 CA THR A 103 4.241 -9.944 1.013 1.00 0.00 C ATOM 1614 C THR A 103 3.050 -9.624 1.907 1.00 0.00 C ATOM 1615 O THR A 103 3.178 -9.546 3.129 1.00 0.00 O ATOM 1616 CB THR A 103 5.548 -9.631 1.743 1.00 0.00 C ATOM 1617 OG1 THR A 103 5.341 -9.574 3.143 1.00 0.00 O ATOM 1618 CG2 THR A 103 6.172 -8.319 1.317 1.00 0.00 C ATOM 0 H THR A 103 3.509 -8.397 -0.193 1.00 0.00 H new ATOM 0 HA THR A 103 4.225 -11.007 0.771 1.00 0.00 H new ATOM 0 HB THR A 103 6.227 -10.441 1.478 1.00 0.00 H new ATOM 0 HG1 THR A 103 4.441 -9.899 3.354 1.00 0.00 H new ATOM 0 HG21 THR A 103 7.096 -8.158 1.873 1.00 0.00 H new ATOM 0 HG22 THR A 103 6.392 -8.350 0.250 1.00 0.00 H new ATOM 0 HG23 THR A 103 5.479 -7.503 1.521 1.00 0.00 H new ATOM 1626 N ARG A 104 1.892 -9.430 1.283 1.00 0.00 N ATOM 1627 CA ARG A 104 0.673 -9.108 2.013 1.00 0.00 C ATOM 1628 C ARG A 104 0.944 -8.030 3.055 1.00 0.00 C ATOM 1629 O ARG A 104 0.780 -8.256 4.253 1.00 0.00 O ATOM 1630 CB ARG A 104 0.103 -10.362 2.684 1.00 0.00 C ATOM 1631 CG ARG A 104 0.711 -10.664 4.045 1.00 0.00 C ATOM 1632 CD ARG A 104 0.349 -12.062 4.519 1.00 0.00 C ATOM 1633 NE ARG A 104 1.344 -12.604 5.439 1.00 0.00 N ATOM 1634 CZ ARG A 104 2.627 -12.761 5.127 1.00 0.00 C ATOM 1635 NH1 ARG A 104 3.064 -12.419 3.924 1.00 0.00 N ATOM 1636 NH2 ARG A 104 3.472 -13.259 6.019 1.00 0.00 N ATOM 0 H ARG A 104 1.773 -9.491 0.272 1.00 0.00 H new ATOM 0 HA ARG A 104 -0.062 -8.728 1.303 1.00 0.00 H new ATOM 0 HB2 ARG A 104 -0.975 -10.244 2.797 1.00 0.00 H new ATOM 0 HB3 ARG A 104 0.263 -11.218 2.028 1.00 0.00 H new ATOM 0 HG2 ARG A 104 1.795 -10.567 3.990 1.00 0.00 H new ATOM 0 HG3 ARG A 104 0.362 -9.930 4.772 1.00 0.00 H new ATOM 0 HD2 ARG A 104 -0.623 -12.037 5.011 1.00 0.00 H new ATOM 0 HD3 ARG A 104 0.254 -12.723 3.658 1.00 0.00 H new ATOM 0 HE ARG A 104 1.038 -12.877 6.373 1.00 0.00 H new ATOM 0 HH11 ARG A 104 2.416 -12.035 3.236 1.00 0.00 H new ATOM 0 HH12 ARG A 104 4.048 -12.540 3.686 1.00 0.00 H new ATOM 0 HH21 ARG A 104 3.138 -13.522 6.946 1.00 0.00 H new ATOM 0 HH22 ARG A 104 4.456 -13.379 5.778 1.00 0.00 H new ATOM 1650 N LEU A 105 1.362 -6.854 2.596 1.00 0.00 N ATOM 1651 CA LEU A 105 1.653 -5.757 3.507 1.00 0.00 C ATOM 1652 C LEU A 105 2.550 -6.251 4.632 1.00 0.00 C ATOM 1653 O LEU A 105 2.102 -6.468 5.757 1.00 0.00 O ATOM 1654 CB LEU A 105 0.353 -5.188 4.064 1.00 0.00 C ATOM 1655 CG LEU A 105 -0.523 -4.486 3.038 1.00 0.00 C ATOM 1656 CD1 LEU A 105 -0.002 -3.093 2.821 1.00 0.00 C ATOM 1657 CD2 LEU A 105 -0.546 -5.249 1.724 1.00 0.00 C ATOM 0 H LEU A 105 1.505 -6.639 1.609 1.00 0.00 H new ATOM 0 HA LEU A 105 2.173 -4.965 2.969 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -0.219 -5.999 4.516 1.00 0.00 H new ATOM 0 HB3 LEU A 105 0.592 -4.484 4.861 1.00 0.00 H new ATOM 0 HG LEU A 105 -1.545 -4.444 3.415 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -0.624 -2.582 2.086 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -0.027 -2.544 3.762 1.00 0.00 H new ATOM 0 HD13 LEU A 105 1.024 -3.141 2.456 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -1.180 -4.724 1.009 1.00 0.00 H new ATOM 0 HD22 LEU A 105 0.467 -5.320 1.327 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -0.941 -6.251 1.892 1.00 0.00 H new ATOM 1669 N ARG A 106 3.818 -6.455 4.299 1.00 0.00 N ATOM 1670 CA ARG A 106 4.797 -6.960 5.257 1.00 0.00 C ATOM 1671 C ARG A 106 5.138 -5.930 6.328 1.00 0.00 C ATOM 1672 O ARG A 106 5.313 -6.278 7.496 1.00 0.00 O ATOM 1673 CB ARG A 106 6.071 -7.386 4.528 1.00 0.00 C ATOM 1674 CG ARG A 106 6.820 -8.513 5.222 1.00 0.00 C ATOM 1675 CD ARG A 106 6.812 -8.339 6.732 1.00 0.00 C ATOM 1676 NE ARG A 106 7.904 -9.068 7.373 1.00 0.00 N ATOM 1677 CZ ARG A 106 8.292 -8.859 8.627 1.00 0.00 C ATOM 1678 NH1 ARG A 106 7.679 -7.947 9.369 1.00 0.00 N ATOM 1679 NH2 ARG A 106 9.292 -9.563 9.139 1.00 0.00 N ATOM 0 H ARG A 106 4.195 -6.278 3.368 1.00 0.00 H new ATOM 0 HA ARG A 106 4.349 -7.820 5.756 1.00 0.00 H new ATOM 0 HB2 ARG A 106 5.813 -7.701 3.517 1.00 0.00 H new ATOM 0 HB3 ARG A 106 6.732 -6.524 4.435 1.00 0.00 H new ATOM 0 HG2 ARG A 106 6.364 -9.468 4.962 1.00 0.00 H new ATOM 0 HG3 ARG A 106 7.849 -8.543 4.863 1.00 0.00 H new ATOM 0 HD2 ARG A 106 6.892 -7.279 6.975 1.00 0.00 H new ATOM 0 HD3 ARG A 106 5.860 -8.687 7.132 1.00 0.00 H new ATOM 0 HE ARG A 106 8.396 -9.776 6.828 1.00 0.00 H new ATOM 0 HH11 ARG A 106 6.909 -7.405 8.978 1.00 0.00 H new ATOM 0 HH12 ARG A 106 7.978 -7.788 10.331 1.00 0.00 H new ATOM 0 HH21 ARG A 106 9.764 -10.266 8.570 1.00 0.00 H new ATOM 0 HH22 ARG A 106 9.589 -9.402 10.101 1.00 0.00 H new ATOM 1693 N TYR A 107 5.247 -4.667 5.933 1.00 0.00 N ATOM 1694 CA TYR A 107 5.585 -3.614 6.884 1.00 0.00 C ATOM 1695 C TYR A 107 5.355 -2.228 6.301 1.00 0.00 C ATOM 1696 O TYR A 107 6.195 -1.708 5.566 1.00 0.00 O ATOM 1697 CB TYR A 107 7.045 -3.740 7.318 1.00 0.00 C ATOM 1698 CG TYR A 107 7.463 -2.687 8.319 1.00 0.00 C ATOM 1699 CD1 TYR A 107 6.913 -2.668 9.593 1.00 0.00 C ATOM 1700 CD2 TYR A 107 8.400 -1.711 7.991 1.00 0.00 C ATOM 1701 CE1 TYR A 107 7.283 -1.708 10.514 1.00 0.00 C ATOM 1702 CE2 TYR A 107 8.774 -0.749 8.908 1.00 0.00 C ATOM 1703 CZ TYR A 107 8.214 -0.751 10.168 1.00 0.00 C ATOM 1704 OH TYR A 107 8.583 0.207 11.084 1.00 0.00 O ATOM 0 H TYR A 107 5.108 -4.349 4.974 1.00 0.00 H new ATOM 0 HA TYR A 107 4.929 -3.736 7.746 1.00 0.00 H new ATOM 0 HB2 TYR A 107 7.204 -4.727 7.751 1.00 0.00 H new ATOM 0 HB3 TYR A 107 7.686 -3.671 6.439 1.00 0.00 H new ATOM 0 HD1 TYR A 107 6.184 -3.416 9.868 1.00 0.00 H new ATOM 0 HD2 TYR A 107 8.841 -1.706 7.005 1.00 0.00 H new ATOM 0 HE1 TYR A 107 6.845 -1.707 11.501 1.00 0.00 H new ATOM 0 HE2 TYR A 107 9.502 0.002 8.639 1.00 0.00 H new ATOM 0 HH TYR A 107 9.248 0.804 10.683 1.00 0.00 H new ATOM 1714 N PRO A 108 4.218 -1.602 6.629 1.00 0.00 N ATOM 1715 CA PRO A 108 3.898 -0.266 6.146 1.00 0.00 C ATOM 1716 C PRO A 108 5.045 0.710 6.379 1.00 0.00 C ATOM 1717 O PRO A 108 5.540 0.843 7.498 1.00 0.00 O ATOM 1718 CB PRO A 108 2.673 0.146 6.972 1.00 0.00 C ATOM 1719 CG PRO A 108 2.539 -0.885 8.043 1.00 0.00 C ATOM 1720 CD PRO A 108 3.161 -2.132 7.494 1.00 0.00 C ATOM 0 HA PRO A 108 3.716 -0.257 5.071 1.00 0.00 H new ATOM 0 HB2 PRO A 108 2.806 1.139 7.400 1.00 0.00 H new ATOM 0 HB3 PRO A 108 1.778 0.184 6.351 1.00 0.00 H new ATOM 0 HG2 PRO A 108 3.042 -0.567 8.956 1.00 0.00 H new ATOM 0 HG3 PRO A 108 1.492 -1.050 8.297 1.00 0.00 H new ATOM 0 HD2 PRO A 108 3.563 -2.767 8.284 1.00 0.00 H new ATOM 0 HD3 PRO A 108 2.443 -2.733 6.936 1.00 0.00 H new ATOM 1728 N VAL A 109 5.461 1.391 5.321 1.00 0.00 N ATOM 1729 CA VAL A 109 6.543 2.350 5.409 1.00 0.00 C ATOM 1730 C VAL A 109 5.997 3.768 5.417 1.00 0.00 C ATOM 1731 O VAL A 109 5.327 4.187 4.472 1.00 0.00 O ATOM 1732 CB VAL A 109 7.517 2.189 4.230 1.00 0.00 C ATOM 1733 CG1 VAL A 109 7.316 3.306 3.219 1.00 0.00 C ATOM 1734 CG2 VAL A 109 8.953 2.151 4.726 1.00 0.00 C ATOM 0 H VAL A 109 5.060 1.293 4.388 1.00 0.00 H new ATOM 0 HA VAL A 109 7.078 2.162 6.340 1.00 0.00 H new ATOM 0 HB VAL A 109 7.309 1.242 3.732 1.00 0.00 H new ATOM 0 HG11 VAL A 109 8.013 3.177 2.391 1.00 0.00 H new ATOM 0 HG12 VAL A 109 6.294 3.275 2.841 1.00 0.00 H new ATOM 0 HG13 VAL A 109 7.497 4.268 3.699 1.00 0.00 H new ATOM 0 HG21 VAL A 109 9.628 2.037 3.878 1.00 0.00 H new ATOM 0 HG22 VAL A 109 9.182 3.079 5.249 1.00 0.00 H new ATOM 0 HG23 VAL A 109 9.081 1.310 5.407 1.00 0.00 H new ATOM 1744 N CYS A 110 6.279 4.507 6.481 1.00 0.00 N ATOM 1745 CA CYS A 110 5.804 5.876 6.595 1.00 0.00 C ATOM 1746 C CYS A 110 6.975 6.846 6.684 1.00 0.00 C ATOM 1747 O CYS A 110 7.431 7.192 7.774 1.00 0.00 O ATOM 1748 CB CYS A 110 4.891 6.020 7.816 1.00 0.00 C ATOM 1749 SG CYS A 110 5.133 7.549 8.749 1.00 0.00 S ATOM 0 H CYS A 110 6.832 4.182 7.274 1.00 0.00 H new ATOM 0 HA CYS A 110 5.230 6.119 5.701 1.00 0.00 H new ATOM 0 HB2 CYS A 110 3.853 5.969 7.487 1.00 0.00 H new ATOM 0 HB3 CYS A 110 5.056 5.172 8.481 1.00 0.00 H new ATOM 0 HG CYS A 110 6.394 7.690 9.032 1.00 0.00 H new ATOM 1755 N GLY A 111 7.455 7.278 5.525 1.00 0.00 N ATOM 1756 CA GLY A 111 8.571 8.205 5.482 1.00 0.00 C ATOM 1757 C GLY A 111 9.860 7.583 5.983 1.00 0.00 C ATOM 1758 O GLY A 111 10.680 8.258 6.606 1.00 0.00 O ATOM 0 H GLY A 111 7.091 7.003 4.613 1.00 0.00 H new ATOM 0 HA2 GLY A 111 8.712 8.552 4.458 1.00 0.00 H new ATOM 0 HA3 GLY A 111 8.335 9.081 6.086 1.00 0.00 H new