USER MOD reduce.3.24.130724 H: found=0, std=0, add=779, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 780 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 66 LYS NZ :NH3+ -179:sc= -0.452! (180deg=-0.185) USER MOD Set 1.2: A 67 ASN : amide:sc= -0.241! C(o=-0.69!,f=-9.8!) USER MOD Set 2.1: A 30 CYS SG : rot 150:sc= 0.243 USER MOD Set 2.2: A 33 CYS SG : rot 70:sc= -0.654 USER MOD Set 3.1: A 4 GLN : amide:sc= 0.955 K(o=-0.25,f=-2.3) USER MOD Set 3.2: A 26 TYR OH : rot 49:sc= -1.21 USER MOD Single : A 3 THR OG1 : rot 180:sc= -0.0231 USER MOD Single : A 6 LYS NZ :NH3+ 166:sc= -0.0293 (180deg=-0.251) USER MOD Single : A 7 THR OG1 : rot 180:sc= -1.29 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 17 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 LYS NZ :NH3+ -132:sc= 1.23 (180deg=-1.95) USER MOD Single : A 28 THR OG1 : rot -159:sc= -1.34! USER MOD Single : A 34 LYS NZ :NH3+ -165:sc= -0.0448 (180deg=-0.315) USER MOD Single : A 35 MET CE :methyl -159:sc= -0.174 (180deg=-0.74) USER MOD Single : A 39 MET CE :methyl 160:sc= -1.41 (180deg=-2.28) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 SER OG : rot -11:sc= 0.455 USER MOD Single : A 46 GLN : amide:sc= -0.0118 X(o=-0.012,f=-0.012) USER MOD Single : A 47 TYR OH : rot -140:sc= -1.18 USER MOD Single : A 49 GLN : amide:sc= -1.13 K(o=-1.1,f=-3.7!) USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ 163:sc= -3.91! (180deg=-5.41!) USER MOD Single : A 65 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 72 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 74 THR OG1 : rot 84:sc= -5.15! USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 ASN : amide:sc= -0.131 K(o=-0.13,f=-1.4) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 ASN : amide:sc= -1.02 K(o=-1,f=-2.4!) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 GLN : amide:sc= -0.968! K(o=-0.97!,f=0) USER MOD Single : A 102 ASN : amide:sc= -6.78 K(o=-6.8,f=-14!) USER MOD ----------------------------------------------------------------- ATOM 20 N VAL A 2 -2.698 9.893 3.592 1.00 0.00 N ATOM 21 CA VAL A 2 -2.948 8.481 3.331 1.00 0.00 C ATOM 22 C VAL A 2 -4.426 8.235 3.041 1.00 0.00 C ATOM 23 O VAL A 2 -5.298 8.802 3.699 1.00 0.00 O ATOM 24 CB VAL A 2 -2.502 7.608 4.522 1.00 0.00 C ATOM 25 CG1 VAL A 2 -3.336 7.909 5.759 1.00 0.00 C ATOM 26 CG2 VAL A 2 -2.573 6.133 4.161 1.00 0.00 C ATOM 0 HA VAL A 2 -2.363 8.203 2.454 1.00 0.00 H new ATOM 0 HB VAL A 2 -1.465 7.850 4.753 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -3.002 7.281 6.585 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -3.218 8.958 6.031 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -4.386 7.704 5.549 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -2.254 5.534 5.014 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -3.598 5.872 3.897 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -1.918 5.934 3.313 1.00 0.00 H new ATOM 36 N THR A 3 -4.706 7.396 2.046 1.00 0.00 N ATOM 37 CA THR A 3 -6.085 7.095 1.674 1.00 0.00 C ATOM 38 C THR A 3 -6.221 5.685 1.103 1.00 0.00 C ATOM 39 O THR A 3 -5.239 5.074 0.680 1.00 0.00 O ATOM 40 CB THR A 3 -6.587 8.121 0.655 1.00 0.00 C ATOM 41 OG1 THR A 3 -6.531 9.431 1.192 1.00 0.00 O ATOM 42 CG2 THR A 3 -8.009 7.874 0.201 1.00 0.00 C ATOM 0 H THR A 3 -4.001 6.916 1.487 1.00 0.00 H new ATOM 0 HA THR A 3 -6.693 7.149 2.577 1.00 0.00 H new ATOM 0 HB THR A 3 -5.926 8.016 -0.205 1.00 0.00 H new ATOM 0 HG1 THR A 3 -6.854 10.072 0.525 1.00 0.00 H new ATOM 0 HG21 THR A 3 -8.299 8.638 -0.520 1.00 0.00 H new ATOM 0 HG22 THR A 3 -8.077 6.891 -0.265 1.00 0.00 H new ATOM 0 HG23 THR A 3 -8.678 7.914 1.061 1.00 0.00 H new ATOM 50 N GLN A 4 -7.454 5.184 1.090 1.00 0.00 N ATOM 51 CA GLN A 4 -7.747 3.850 0.568 1.00 0.00 C ATOM 52 C GLN A 4 -8.213 3.944 -0.882 1.00 0.00 C ATOM 53 O GLN A 4 -8.348 5.039 -1.427 1.00 0.00 O ATOM 54 CB GLN A 4 -8.856 3.199 1.394 1.00 0.00 C ATOM 55 CG GLN A 4 -8.621 3.251 2.892 1.00 0.00 C ATOM 56 CD GLN A 4 -9.786 2.690 3.684 1.00 0.00 C ATOM 57 OE1 GLN A 4 -10.153 1.526 3.530 1.00 0.00 O ATOM 58 NE2 GLN A 4 -10.373 3.519 4.540 1.00 0.00 N ATOM 0 H GLN A 4 -8.272 5.685 1.437 1.00 0.00 H new ATOM 0 HA GLN A 4 -6.838 3.251 0.626 1.00 0.00 H new ATOM 0 HB2 GLN A 4 -9.801 3.693 1.167 1.00 0.00 H new ATOM 0 HB3 GLN A 4 -8.959 2.158 1.089 1.00 0.00 H new ATOM 0 HG2 GLN A 4 -7.718 2.690 3.134 1.00 0.00 H new ATOM 0 HG3 GLN A 4 -8.445 4.284 3.193 1.00 0.00 H new ATOM 0 HE21 GLN A 4 -10.035 4.477 4.635 1.00 0.00 H new ATOM 0 HE22 GLN A 4 -11.161 3.198 5.102 1.00 0.00 H new ATOM 67 N PHE A 5 -8.490 2.796 -1.494 1.00 0.00 N ATOM 68 CA PHE A 5 -8.973 2.774 -2.869 1.00 0.00 C ATOM 69 C PHE A 5 -10.293 2.018 -2.976 1.00 0.00 C ATOM 70 O PHE A 5 -10.408 0.878 -2.524 1.00 0.00 O ATOM 71 CB PHE A 5 -7.943 2.152 -3.813 1.00 0.00 C ATOM 72 CG PHE A 5 -6.709 2.989 -4.005 1.00 0.00 C ATOM 73 CD1 PHE A 5 -6.786 4.375 -4.010 1.00 0.00 C ATOM 74 CD2 PHE A 5 -5.479 2.388 -4.213 1.00 0.00 C ATOM 75 CE1 PHE A 5 -5.656 5.144 -4.215 1.00 0.00 C ATOM 76 CE2 PHE A 5 -4.346 3.153 -4.414 1.00 0.00 C ATOM 77 CZ PHE A 5 -4.435 4.532 -4.417 1.00 0.00 C ATOM 0 H PHE A 5 -8.389 1.877 -1.063 1.00 0.00 H new ATOM 0 HA PHE A 5 -9.136 3.810 -3.168 1.00 0.00 H new ATOM 0 HB2 PHE A 5 -7.651 1.176 -3.425 1.00 0.00 H new ATOM 0 HB3 PHE A 5 -8.410 1.982 -4.783 1.00 0.00 H new ATOM 0 HD1 PHE A 5 -7.739 4.858 -3.852 1.00 0.00 H new ATOM 0 HD2 PHE A 5 -5.404 1.311 -4.218 1.00 0.00 H new ATOM 0 HE1 PHE A 5 -5.728 6.222 -4.217 1.00 0.00 H new ATOM 0 HE2 PHE A 5 -3.391 2.673 -4.569 1.00 0.00 H new ATOM 0 HZ PHE A 5 -3.550 5.130 -4.577 1.00 0.00 H new ATOM 87 N LYS A 6 -11.285 2.664 -3.581 1.00 0.00 N ATOM 88 CA LYS A 6 -12.603 2.063 -3.759 1.00 0.00 C ATOM 89 C LYS A 6 -12.834 1.693 -5.222 1.00 0.00 C ATOM 90 O LYS A 6 -13.597 0.779 -5.530 1.00 0.00 O ATOM 91 CB LYS A 6 -13.696 3.022 -3.282 1.00 0.00 C ATOM 92 CG LYS A 6 -13.573 3.404 -1.816 1.00 0.00 C ATOM 93 CD LYS A 6 -13.657 2.184 -0.914 1.00 0.00 C ATOM 94 CE LYS A 6 -13.532 2.565 0.552 1.00 0.00 C ATOM 95 NZ LYS A 6 -14.610 3.501 0.977 1.00 0.00 N ATOM 0 H LYS A 6 -11.201 3.608 -3.958 1.00 0.00 H new ATOM 0 HA LYS A 6 -12.646 1.154 -3.160 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -13.664 3.927 -3.889 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -14.670 2.561 -3.448 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -12.625 3.916 -1.651 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -14.364 4.107 -1.554 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -14.606 1.673 -1.079 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -12.867 1.481 -1.177 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -13.570 1.665 1.165 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -12.560 3.028 0.725 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -14.637 3.551 2.015 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -14.421 4.447 0.589 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -15.526 3.159 0.623 1.00 0.00 H new ATOM 109 N THR A 7 -12.163 2.409 -6.120 1.00 0.00 N ATOM 110 CA THR A 7 -12.286 2.155 -7.549 1.00 0.00 C ATOM 111 C THR A 7 -10.909 2.132 -8.204 1.00 0.00 C ATOM 112 O THR A 7 -10.106 3.046 -8.013 1.00 0.00 O ATOM 113 CB THR A 7 -13.166 3.218 -8.208 1.00 0.00 C ATOM 114 OG1 THR A 7 -12.621 4.510 -8.017 1.00 0.00 O ATOM 115 CG2 THR A 7 -14.582 3.234 -7.676 1.00 0.00 C ATOM 0 H THR A 7 -11.528 3.171 -5.881 1.00 0.00 H new ATOM 0 HA THR A 7 -12.756 1.181 -7.687 1.00 0.00 H new ATOM 0 HB THR A 7 -13.194 2.955 -9.265 1.00 0.00 H new ATOM 0 HG1 THR A 7 -13.198 5.175 -8.447 1.00 0.00 H new ATOM 0 HG21 THR A 7 -15.153 4.010 -8.185 1.00 0.00 H new ATOM 0 HG22 THR A 7 -15.048 2.265 -7.854 1.00 0.00 H new ATOM 0 HG23 THR A 7 -14.566 3.438 -6.605 1.00 0.00 H new ATOM 123 N ALA A 8 -10.637 1.080 -8.970 1.00 0.00 N ATOM 124 CA ALA A 8 -9.350 0.935 -9.643 1.00 0.00 C ATOM 125 C ALA A 8 -8.987 2.186 -10.433 1.00 0.00 C ATOM 126 O ALA A 8 -7.810 2.471 -10.653 1.00 0.00 O ATOM 127 CB ALA A 8 -9.359 -0.286 -10.551 1.00 0.00 C ATOM 0 H ALA A 8 -11.290 0.315 -9.140 1.00 0.00 H new ATOM 0 HA ALA A 8 -8.588 0.796 -8.876 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -8.392 -0.379 -11.045 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -9.551 -1.180 -9.957 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -10.141 -0.175 -11.302 1.00 0.00 H new ATOM 133 N SER A 9 -9.998 2.937 -10.848 1.00 0.00 N ATOM 134 CA SER A 9 -9.769 4.162 -11.599 1.00 0.00 C ATOM 135 C SER A 9 -8.971 5.162 -10.764 1.00 0.00 C ATOM 136 O SER A 9 -8.413 6.122 -11.297 1.00 0.00 O ATOM 137 CB SER A 9 -11.102 4.783 -12.024 1.00 0.00 C ATOM 138 OG SER A 9 -10.898 5.978 -12.757 1.00 0.00 O ATOM 0 H SER A 9 -10.980 2.720 -10.678 1.00 0.00 H new ATOM 0 HA SER A 9 -9.194 3.914 -12.491 1.00 0.00 H new ATOM 0 HB2 SER A 9 -11.661 4.071 -12.631 1.00 0.00 H new ATOM 0 HB3 SER A 9 -11.707 4.993 -11.142 1.00 0.00 H new ATOM 0 HG SER A 9 -11.765 6.354 -13.018 1.00 0.00 H new ATOM 144 N GLU A 10 -8.922 4.935 -9.451 1.00 0.00 N ATOM 145 CA GLU A 10 -8.196 5.816 -8.550 1.00 0.00 C ATOM 146 C GLU A 10 -6.754 5.364 -8.379 1.00 0.00 C ATOM 147 O GLU A 10 -5.831 6.178 -8.355 1.00 0.00 O ATOM 148 CB GLU A 10 -8.890 5.878 -7.189 1.00 0.00 C ATOM 149 CG GLU A 10 -10.295 6.454 -7.247 1.00 0.00 C ATOM 150 CD GLU A 10 -10.321 7.899 -7.710 1.00 0.00 C ATOM 151 OE1 GLU A 10 -9.235 8.460 -7.969 1.00 0.00 O ATOM 152 OE2 GLU A 10 -11.426 8.470 -7.811 1.00 0.00 O ATOM 0 H GLU A 10 -9.378 4.147 -8.992 1.00 0.00 H new ATOM 0 HA GLU A 10 -8.190 6.812 -8.992 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -8.935 4.874 -6.768 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -8.287 6.481 -6.510 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -10.902 5.850 -7.922 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -10.752 6.386 -6.260 1.00 0.00 H new ATOM 159 N PHE A 11 -6.574 4.060 -8.252 1.00 0.00 N ATOM 160 CA PHE A 11 -5.251 3.482 -8.070 1.00 0.00 C ATOM 161 C PHE A 11 -4.496 3.411 -9.396 1.00 0.00 C ATOM 162 O PHE A 11 -3.266 3.444 -9.426 1.00 0.00 O ATOM 163 CB PHE A 11 -5.365 2.082 -7.459 1.00 0.00 C ATOM 164 CG PHE A 11 -4.058 1.522 -6.956 1.00 0.00 C ATOM 165 CD1 PHE A 11 -2.898 2.284 -6.971 1.00 0.00 C ATOM 166 CD2 PHE A 11 -3.998 0.229 -6.459 1.00 0.00 C ATOM 167 CE1 PHE A 11 -1.707 1.767 -6.503 1.00 0.00 C ATOM 168 CE2 PHE A 11 -2.806 -0.292 -5.989 1.00 0.00 C ATOM 169 CZ PHE A 11 -1.661 0.479 -6.013 1.00 0.00 C ATOM 0 H PHE A 11 -7.332 3.377 -8.272 1.00 0.00 H new ATOM 0 HA PHE A 11 -4.692 4.126 -7.391 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -6.076 2.114 -6.633 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -5.775 1.403 -8.207 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -2.928 3.294 -7.353 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -4.891 -0.378 -6.439 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -0.812 2.371 -6.521 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -2.771 -1.300 -5.604 1.00 0.00 H new ATOM 0 HZ PHE A 11 -0.729 0.073 -5.648 1.00 0.00 H new ATOM 179 N ASP A 12 -5.239 3.310 -10.494 1.00 0.00 N ATOM 180 CA ASP A 12 -4.640 3.228 -11.823 1.00 0.00 C ATOM 181 C ASP A 12 -3.641 4.361 -12.055 1.00 0.00 C ATOM 182 O ASP A 12 -2.472 4.119 -12.353 1.00 0.00 O ATOM 183 CB ASP A 12 -5.730 3.266 -12.898 1.00 0.00 C ATOM 184 CG ASP A 12 -5.166 3.153 -14.301 1.00 0.00 C ATOM 185 OD1 ASP A 12 -4.514 2.130 -14.599 1.00 0.00 O ATOM 186 OD2 ASP A 12 -5.375 4.088 -15.101 1.00 0.00 O ATOM 0 H ASP A 12 -6.259 3.283 -10.490 1.00 0.00 H new ATOM 0 HA ASP A 12 -4.102 2.283 -11.888 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -6.434 2.452 -12.726 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -6.291 4.196 -12.809 1.00 0.00 H new ATOM 191 N SER A 13 -4.111 5.597 -11.924 1.00 0.00 N ATOM 192 CA SER A 13 -3.260 6.766 -12.126 1.00 0.00 C ATOM 193 C SER A 13 -2.253 6.928 -10.990 1.00 0.00 C ATOM 194 O SER A 13 -1.211 7.563 -11.160 1.00 0.00 O ATOM 195 CB SER A 13 -4.115 8.029 -12.246 1.00 0.00 C ATOM 196 OG SER A 13 -3.307 9.177 -12.443 1.00 0.00 O ATOM 0 H SER A 13 -5.077 5.816 -11.679 1.00 0.00 H new ATOM 0 HA SER A 13 -2.705 6.615 -13.052 1.00 0.00 H new ATOM 0 HB2 SER A 13 -4.810 7.923 -13.079 1.00 0.00 H new ATOM 0 HB3 SER A 13 -4.714 8.153 -11.344 1.00 0.00 H new ATOM 0 HG SER A 13 -3.878 9.970 -12.518 1.00 0.00 H new ATOM 202 N ALA A 14 -2.568 6.358 -9.831 1.00 0.00 N ATOM 203 CA ALA A 14 -1.687 6.449 -8.671 1.00 0.00 C ATOM 204 C ALA A 14 -0.293 5.914 -8.985 1.00 0.00 C ATOM 205 O ALA A 14 0.711 6.522 -8.615 1.00 0.00 O ATOM 206 CB ALA A 14 -2.291 5.699 -7.492 1.00 0.00 C ATOM 0 H ALA A 14 -3.425 5.829 -9.670 1.00 0.00 H new ATOM 0 HA ALA A 14 -1.586 7.502 -8.408 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -1.624 5.774 -6.633 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -3.258 6.135 -7.240 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -2.424 4.650 -7.757 1.00 0.00 H new ATOM 212 N ILE A 15 -0.236 4.774 -9.665 1.00 0.00 N ATOM 213 CA ILE A 15 1.039 4.163 -10.022 1.00 0.00 C ATOM 214 C ILE A 15 1.641 4.812 -11.263 1.00 0.00 C ATOM 215 O ILE A 15 2.811 5.189 -11.264 1.00 0.00 O ATOM 216 CB ILE A 15 0.900 2.640 -10.243 1.00 0.00 C ATOM 217 CG1 ILE A 15 -0.081 2.332 -11.378 1.00 0.00 C ATOM 218 CG2 ILE A 15 0.454 1.964 -8.954 1.00 0.00 C ATOM 219 CD1 ILE A 15 -0.331 0.851 -11.578 1.00 0.00 C ATOM 0 H ILE A 15 -1.056 4.255 -9.979 1.00 0.00 H new ATOM 0 HA ILE A 15 1.712 4.329 -9.181 1.00 0.00 H new ATOM 0 HB ILE A 15 1.875 2.247 -10.530 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -1.030 2.828 -11.172 1.00 0.00 H new ATOM 0 HG13 ILE A 15 0.305 2.755 -12.305 1.00 0.00 H new ATOM 0 HG21 ILE A 15 0.359 0.891 -9.120 1.00 0.00 H new ATOM 0 HG22 ILE A 15 1.192 2.146 -8.173 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -0.509 2.370 -8.645 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -1.035 0.708 -12.398 1.00 0.00 H new ATOM 0 HD12 ILE A 15 0.609 0.352 -11.816 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -0.747 0.426 -10.665 1.00 0.00 H new ATOM 231 N ALA A 16 0.843 4.938 -12.318 1.00 0.00 N ATOM 232 CA ALA A 16 1.307 5.531 -13.570 1.00 0.00 C ATOM 233 C ALA A 16 2.099 6.816 -13.343 1.00 0.00 C ATOM 234 O ALA A 16 1.526 7.878 -13.104 1.00 0.00 O ATOM 235 CB ALA A 16 0.130 5.793 -14.496 1.00 0.00 C ATOM 0 H ALA A 16 -0.131 4.637 -12.332 1.00 0.00 H new ATOM 0 HA ALA A 16 1.982 4.814 -14.037 1.00 0.00 H new ATOM 0 HB1 ALA A 16 0.489 6.235 -15.425 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -0.378 4.853 -14.714 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -0.567 6.479 -14.014 1.00 0.00 H new ATOM 241 N GLN A 17 3.425 6.706 -13.430 1.00 0.00 N ATOM 242 CA GLN A 17 4.313 7.852 -13.246 1.00 0.00 C ATOM 243 C GLN A 17 3.897 8.684 -12.039 1.00 0.00 C ATOM 244 O GLN A 17 3.110 9.621 -12.163 1.00 0.00 O ATOM 245 CB GLN A 17 4.316 8.725 -14.503 1.00 0.00 C ATOM 246 CG GLN A 17 4.785 7.993 -15.750 1.00 0.00 C ATOM 247 CD GLN A 17 4.778 8.879 -16.981 1.00 0.00 C ATOM 248 OE1 GLN A 17 3.736 9.399 -17.381 1.00 0.00 O ATOM 249 NE2 GLN A 17 5.945 9.055 -17.590 1.00 0.00 N ATOM 0 H GLN A 17 3.909 5.830 -13.628 1.00 0.00 H new ATOM 0 HA GLN A 17 5.319 7.472 -13.068 1.00 0.00 H new ATOM 0 HB2 GLN A 17 3.309 9.107 -14.673 1.00 0.00 H new ATOM 0 HB3 GLN A 17 4.960 9.588 -14.334 1.00 0.00 H new ATOM 0 HG2 GLN A 17 5.793 7.612 -15.586 1.00 0.00 H new ATOM 0 HG3 GLN A 17 4.142 7.130 -15.924 1.00 0.00 H new ATOM 0 HE21 GLN A 17 6.784 8.605 -17.224 1.00 0.00 H new ATOM 0 HE22 GLN A 17 6.002 9.640 -18.423 1.00 0.00 H new ATOM 258 N ASP A 18 4.427 8.335 -10.873 1.00 0.00 N ATOM 259 CA ASP A 18 4.101 9.057 -9.655 1.00 0.00 C ATOM 260 C ASP A 18 4.979 8.607 -8.492 1.00 0.00 C ATOM 261 O ASP A 18 4.507 8.472 -7.363 1.00 0.00 O ATOM 262 CB ASP A 18 2.623 8.861 -9.309 1.00 0.00 C ATOM 263 CG ASP A 18 2.200 9.658 -8.091 1.00 0.00 C ATOM 264 OD1 ASP A 18 2.318 10.901 -8.125 1.00 0.00 O ATOM 265 OD2 ASP A 18 1.750 9.038 -7.103 1.00 0.00 O ATOM 0 H ASP A 18 5.080 7.561 -10.748 1.00 0.00 H new ATOM 0 HA ASP A 18 4.292 10.116 -9.828 1.00 0.00 H new ATOM 0 HB2 ASP A 18 2.012 9.156 -10.162 1.00 0.00 H new ATOM 0 HB3 ASP A 18 2.432 7.803 -9.131 1.00 0.00 H new ATOM 270 N LYS A 19 6.263 8.385 -8.766 1.00 0.00 N ATOM 271 CA LYS A 19 7.193 7.967 -7.729 1.00 0.00 C ATOM 272 C LYS A 19 6.777 6.615 -7.161 1.00 0.00 C ATOM 273 O LYS A 19 6.086 5.842 -7.825 1.00 0.00 O ATOM 274 CB LYS A 19 7.248 9.041 -6.633 1.00 0.00 C ATOM 275 CG LYS A 19 7.808 10.382 -7.099 1.00 0.00 C ATOM 276 CD LYS A 19 6.837 11.135 -7.999 1.00 0.00 C ATOM 277 CE LYS A 19 5.545 11.478 -7.274 1.00 0.00 C ATOM 278 NZ LYS A 19 4.601 12.230 -8.144 1.00 0.00 N ATOM 0 H LYS A 19 6.677 8.488 -9.692 1.00 0.00 H new ATOM 0 HA LYS A 19 8.190 7.853 -8.154 1.00 0.00 H new ATOM 0 HB2 LYS A 19 6.243 9.196 -6.241 1.00 0.00 H new ATOM 0 HB3 LYS A 19 7.858 8.672 -5.809 1.00 0.00 H new ATOM 0 HG2 LYS A 19 8.044 10.996 -6.230 1.00 0.00 H new ATOM 0 HG3 LYS A 19 8.742 10.216 -7.635 1.00 0.00 H new ATOM 0 HD2 LYS A 19 7.308 12.051 -8.356 1.00 0.00 H new ATOM 0 HD3 LYS A 19 6.611 10.530 -8.877 1.00 0.00 H new ATOM 0 HE2 LYS A 19 5.068 10.561 -6.929 1.00 0.00 H new ATOM 0 HE3 LYS A 19 5.773 12.071 -6.388 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 4.241 13.059 -7.630 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 5.096 12.543 -9.003 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 3.806 11.614 -8.408 1.00 0.00 H new ATOM 292 N LEU A 20 7.203 6.329 -5.942 1.00 0.00 N ATOM 293 CA LEU A 20 6.878 5.066 -5.300 1.00 0.00 C ATOM 294 C LEU A 20 5.696 5.226 -4.358 1.00 0.00 C ATOM 295 O LEU A 20 5.768 5.949 -3.366 1.00 0.00 O ATOM 296 CB LEU A 20 8.081 4.547 -4.515 1.00 0.00 C ATOM 297 CG LEU A 20 7.797 3.308 -3.664 1.00 0.00 C ATOM 298 CD1 LEU A 20 7.435 2.125 -4.545 1.00 0.00 C ATOM 299 CD2 LEU A 20 8.992 2.981 -2.783 1.00 0.00 C ATOM 0 H LEU A 20 7.776 6.955 -5.376 1.00 0.00 H new ATOM 0 HA LEU A 20 6.615 4.351 -6.080 1.00 0.00 H new ATOM 0 HB2 LEU A 20 8.883 4.315 -5.216 1.00 0.00 H new ATOM 0 HB3 LEU A 20 8.446 5.343 -3.865 1.00 0.00 H new ATOM 0 HG LEU A 20 6.946 3.522 -3.018 1.00 0.00 H new ATOM 0 HD11 LEU A 20 7.237 1.254 -3.921 1.00 0.00 H new ATOM 0 HD12 LEU A 20 6.545 2.364 -5.128 1.00 0.00 H new ATOM 0 HD13 LEU A 20 8.263 1.907 -5.220 1.00 0.00 H new ATOM 0 HD21 LEU A 20 8.772 2.097 -2.185 1.00 0.00 H new ATOM 0 HD22 LEU A 20 9.863 2.788 -3.409 1.00 0.00 H new ATOM 0 HD23 LEU A 20 9.199 3.823 -2.123 1.00 0.00 H new ATOM 311 N VAL A 21 4.612 4.536 -4.675 1.00 0.00 N ATOM 312 CA VAL A 21 3.412 4.584 -3.859 1.00 0.00 C ATOM 313 C VAL A 21 3.327 3.359 -2.956 1.00 0.00 C ATOM 314 O VAL A 21 3.558 2.233 -3.399 1.00 0.00 O ATOM 315 CB VAL A 21 2.143 4.663 -4.730 1.00 0.00 C ATOM 316 CG1 VAL A 21 0.906 4.804 -3.858 1.00 0.00 C ATOM 317 CG2 VAL A 21 2.240 5.816 -5.720 1.00 0.00 C ATOM 0 H VAL A 21 4.540 3.934 -5.495 1.00 0.00 H new ATOM 0 HA VAL A 21 3.472 5.484 -3.247 1.00 0.00 H new ATOM 0 HB VAL A 21 2.058 3.736 -5.297 1.00 0.00 H new ATOM 0 HG11 VAL A 21 0.020 4.858 -4.490 1.00 0.00 H new ATOM 0 HG12 VAL A 21 0.827 3.942 -3.196 1.00 0.00 H new ATOM 0 HG13 VAL A 21 0.983 5.713 -3.262 1.00 0.00 H new ATOM 0 HG21 VAL A 21 1.334 5.854 -6.325 1.00 0.00 H new ATOM 0 HG22 VAL A 21 2.352 6.754 -5.176 1.00 0.00 H new ATOM 0 HG23 VAL A 21 3.103 5.667 -6.369 1.00 0.00 H new ATOM 327 N VAL A 22 2.997 3.586 -1.692 1.00 0.00 N ATOM 328 CA VAL A 22 2.883 2.503 -0.725 1.00 0.00 C ATOM 329 C VAL A 22 1.427 2.109 -0.518 1.00 0.00 C ATOM 330 O VAL A 22 0.773 2.580 0.413 1.00 0.00 O ATOM 331 CB VAL A 22 3.502 2.897 0.628 1.00 0.00 C ATOM 332 CG1 VAL A 22 3.484 1.720 1.594 1.00 0.00 C ATOM 333 CG2 VAL A 22 4.918 3.416 0.432 1.00 0.00 C ATOM 0 H VAL A 22 2.803 4.512 -1.312 1.00 0.00 H new ATOM 0 HA VAL A 22 3.430 1.651 -1.129 1.00 0.00 H new ATOM 0 HB VAL A 22 2.901 3.696 1.062 1.00 0.00 H new ATOM 0 HG11 VAL A 22 3.926 2.022 2.543 1.00 0.00 H new ATOM 0 HG12 VAL A 22 2.455 1.400 1.758 1.00 0.00 H new ATOM 0 HG13 VAL A 22 4.058 0.895 1.173 1.00 0.00 H new ATOM 0 HG21 VAL A 22 5.342 3.690 1.398 1.00 0.00 H new ATOM 0 HG22 VAL A 22 5.530 2.639 -0.025 1.00 0.00 H new ATOM 0 HG23 VAL A 22 4.898 4.291 -0.217 1.00 0.00 H new ATOM 343 N VAL A 23 0.922 1.248 -1.394 1.00 0.00 N ATOM 344 CA VAL A 23 -0.459 0.794 -1.310 1.00 0.00 C ATOM 345 C VAL A 23 -0.543 -0.592 -0.688 1.00 0.00 C ATOM 346 O VAL A 23 0.037 -1.549 -1.199 1.00 0.00 O ATOM 347 CB VAL A 23 -1.119 0.769 -2.700 1.00 0.00 C ATOM 348 CG1 VAL A 23 -2.596 0.420 -2.589 1.00 0.00 C ATOM 349 CG2 VAL A 23 -0.923 2.106 -3.399 1.00 0.00 C ATOM 0 H VAL A 23 1.450 0.851 -2.171 1.00 0.00 H new ATOM 0 HA VAL A 23 -0.993 1.501 -0.675 1.00 0.00 H new ATOM 0 HB VAL A 23 -0.639 -0.004 -3.300 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -3.043 0.408 -3.583 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -2.704 -0.563 -2.131 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -3.101 1.165 -1.974 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -1.394 2.076 -4.381 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -1.377 2.898 -2.803 1.00 0.00 H new ATOM 0 HG23 VAL A 23 0.143 2.304 -3.514 1.00 0.00 H new ATOM 359 N ASP A 24 -1.255 -0.690 0.430 1.00 0.00 N ATOM 360 CA ASP A 24 -1.403 -1.944 1.131 1.00 0.00 C ATOM 361 C ASP A 24 -2.740 -2.603 0.798 1.00 0.00 C ATOM 362 O ASP A 24 -3.771 -1.936 0.731 1.00 0.00 O ATOM 363 CB ASP A 24 -1.311 -1.683 2.629 1.00 0.00 C ATOM 364 CG ASP A 24 -0.082 -0.880 3.011 1.00 0.00 C ATOM 365 OD1 ASP A 24 0.621 -0.394 2.099 1.00 0.00 O ATOM 366 OD2 ASP A 24 0.171 -0.724 4.223 1.00 0.00 O ATOM 0 H ASP A 24 -1.739 0.095 0.866 1.00 0.00 H new ATOM 0 HA ASP A 24 -0.609 -2.622 0.819 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -2.204 -1.150 2.956 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -1.296 -2.635 3.159 1.00 0.00 H new ATOM 371 N PHE A 25 -2.713 -3.917 0.591 1.00 0.00 N ATOM 372 CA PHE A 25 -3.907 -4.671 0.266 1.00 0.00 C ATOM 373 C PHE A 25 -4.458 -5.366 1.506 1.00 0.00 C ATOM 374 O PHE A 25 -4.681 -6.577 1.505 1.00 0.00 O ATOM 375 CB PHE A 25 -3.572 -5.705 -0.801 1.00 0.00 C ATOM 376 CG PHE A 25 -3.365 -5.138 -2.173 1.00 0.00 C ATOM 377 CD1 PHE A 25 -2.445 -4.129 -2.409 1.00 0.00 C ATOM 378 CD2 PHE A 25 -4.080 -5.648 -3.237 1.00 0.00 C ATOM 379 CE1 PHE A 25 -2.247 -3.639 -3.687 1.00 0.00 C ATOM 380 CE2 PHE A 25 -3.892 -5.164 -4.513 1.00 0.00 C ATOM 381 CZ PHE A 25 -2.972 -4.157 -4.741 1.00 0.00 C ATOM 0 H PHE A 25 -1.865 -4.481 0.645 1.00 0.00 H new ATOM 0 HA PHE A 25 -4.667 -3.986 -0.110 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -2.669 -6.238 -0.502 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -4.377 -6.439 -0.843 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -1.877 -3.721 -1.586 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -4.797 -6.438 -3.067 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -1.527 -2.853 -3.860 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -4.463 -5.571 -5.335 1.00 0.00 H new ATOM 0 HZ PHE A 25 -2.821 -3.777 -5.741 1.00 0.00 H new ATOM 391 N TYR A 26 -4.675 -4.593 2.565 1.00 0.00 N ATOM 392 CA TYR A 26 -5.198 -5.138 3.812 1.00 0.00 C ATOM 393 C TYR A 26 -6.472 -5.936 3.579 1.00 0.00 C ATOM 394 O TYR A 26 -7.345 -5.526 2.820 1.00 0.00 O ATOM 395 CB TYR A 26 -5.446 -4.020 4.832 1.00 0.00 C ATOM 396 CG TYR A 26 -6.140 -2.800 4.264 1.00 0.00 C ATOM 397 CD1 TYR A 26 -7.368 -2.900 3.619 1.00 0.00 C ATOM 398 CD2 TYR A 26 -5.561 -1.542 4.372 1.00 0.00 C ATOM 399 CE1 TYR A 26 -7.996 -1.786 3.101 1.00 0.00 C ATOM 400 CE2 TYR A 26 -6.184 -0.425 3.861 1.00 0.00 C ATOM 401 CZ TYR A 26 -7.401 -0.550 3.226 1.00 0.00 C ATOM 402 OH TYR A 26 -8.023 0.562 2.709 1.00 0.00 O ATOM 0 H TYR A 26 -4.497 -3.589 2.585 1.00 0.00 H new ATOM 0 HA TYR A 26 -4.446 -5.817 4.215 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -6.047 -4.417 5.650 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -4.490 -3.714 5.258 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -7.839 -3.867 3.522 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -4.606 -1.438 4.865 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -8.948 -1.883 2.601 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -5.720 0.546 3.958 1.00 0.00 H new ATOM 0 HH TYR A 26 -8.960 0.575 2.995 1.00 0.00 H new ATOM 412 N ALA A 27 -6.570 -7.081 4.240 1.00 0.00 N ATOM 413 CA ALA A 27 -7.738 -7.935 4.106 1.00 0.00 C ATOM 414 C ALA A 27 -8.969 -7.250 4.680 1.00 0.00 C ATOM 415 O ALA A 27 -8.921 -6.676 5.768 1.00 0.00 O ATOM 416 CB ALA A 27 -7.503 -9.270 4.794 1.00 0.00 C ATOM 0 H ALA A 27 -5.855 -7.438 4.873 1.00 0.00 H new ATOM 0 HA ALA A 27 -7.910 -8.119 3.045 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -8.388 -9.897 4.684 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -6.647 -9.768 4.339 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -7.306 -9.104 5.853 1.00 0.00 H new ATOM 422 N THR A 28 -10.071 -7.313 3.946 1.00 0.00 N ATOM 423 CA THR A 28 -11.315 -6.698 4.387 1.00 0.00 C ATOM 424 C THR A 28 -11.755 -7.245 5.745 1.00 0.00 C ATOM 425 O THR A 28 -12.582 -6.644 6.430 1.00 0.00 O ATOM 426 CB THR A 28 -12.417 -6.930 3.357 1.00 0.00 C ATOM 427 OG1 THR A 28 -13.662 -6.464 3.848 1.00 0.00 O ATOM 428 CG2 THR A 28 -12.586 -8.385 2.973 1.00 0.00 C ATOM 0 H THR A 28 -10.129 -7.784 3.043 1.00 0.00 H new ATOM 0 HA THR A 28 -11.136 -5.628 4.490 1.00 0.00 H new ATOM 0 HB THR A 28 -12.108 -6.376 2.471 1.00 0.00 H new ATOM 0 HG1 THR A 28 -14.391 -6.899 3.358 1.00 0.00 H new ATOM 0 HG21 THR A 28 -13.386 -8.477 2.238 1.00 0.00 H new ATOM 0 HG22 THR A 28 -11.656 -8.759 2.546 1.00 0.00 H new ATOM 0 HG23 THR A 28 -12.839 -8.968 3.859 1.00 0.00 H new ATOM 436 N TRP A 29 -11.199 -8.391 6.124 1.00 0.00 N ATOM 437 CA TRP A 29 -11.530 -9.031 7.390 1.00 0.00 C ATOM 438 C TRP A 29 -10.353 -8.934 8.377 1.00 0.00 C ATOM 439 O TRP A 29 -9.854 -7.842 8.647 1.00 0.00 O ATOM 440 CB TRP A 29 -11.941 -10.493 7.137 1.00 0.00 C ATOM 441 CG TRP A 29 -10.996 -11.224 6.228 1.00 0.00 C ATOM 442 CD1 TRP A 29 -10.849 -11.035 4.883 1.00 0.00 C ATOM 443 CD2 TRP A 29 -10.053 -12.244 6.592 1.00 0.00 C ATOM 444 NE1 TRP A 29 -9.878 -11.870 4.390 1.00 0.00 N ATOM 445 CE2 TRP A 29 -9.374 -12.620 5.416 1.00 0.00 C ATOM 446 CE3 TRP A 29 -9.715 -12.876 7.793 1.00 0.00 C ATOM 447 CZ2 TRP A 29 -8.379 -13.593 5.409 1.00 0.00 C ATOM 448 CZ3 TRP A 29 -8.728 -13.838 7.786 1.00 0.00 C ATOM 449 CH2 TRP A 29 -8.067 -14.189 6.601 1.00 0.00 C ATOM 0 H TRP A 29 -10.512 -8.898 5.567 1.00 0.00 H new ATOM 0 HA TRP A 29 -12.373 -8.511 7.846 1.00 0.00 H new ATOM 0 HB2 TRP A 29 -11.997 -11.018 8.091 1.00 0.00 H new ATOM 0 HB3 TRP A 29 -12.941 -10.513 6.703 1.00 0.00 H new ATOM 0 HD1 TRP A 29 -11.415 -10.330 4.293 1.00 0.00 H new ATOM 0 HE1 TRP A 29 -9.580 -11.923 3.416 1.00 0.00 H new ATOM 0 HE3 TRP A 29 -10.219 -12.614 8.711 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 -7.871 -13.868 4.496 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 -8.459 -14.330 8.709 1.00 0.00 H new ATOM 0 HH2 TRP A 29 -7.296 -14.945 6.629 1.00 0.00 H new ATOM 460 N CYS A 30 -9.919 -10.074 8.911 1.00 0.00 N ATOM 461 CA CYS A 30 -8.816 -10.122 9.859 1.00 0.00 C ATOM 462 C CYS A 30 -9.147 -9.328 11.124 1.00 0.00 C ATOM 463 O CYS A 30 -9.571 -9.899 12.129 1.00 0.00 O ATOM 464 CB CYS A 30 -7.545 -9.585 9.210 1.00 0.00 C ATOM 465 SG CYS A 30 -6.130 -9.473 10.333 1.00 0.00 S ATOM 0 H CYS A 30 -10.323 -10.986 8.697 1.00 0.00 H new ATOM 0 HA CYS A 30 -8.654 -11.161 10.146 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -7.279 -10.228 8.371 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -7.749 -8.596 8.801 1.00 0.00 H new ATOM 0 HG CYS A 30 -5.029 -9.638 9.662 1.00 0.00 H new ATOM 471 N GLY A 31 -8.958 -8.011 11.067 1.00 0.00 N ATOM 472 CA GLY A 31 -9.249 -7.172 12.218 1.00 0.00 C ATOM 473 C GLY A 31 -8.242 -6.051 12.407 1.00 0.00 C ATOM 474 O GLY A 31 -8.526 -4.900 12.075 1.00 0.00 O ATOM 0 H GLY A 31 -8.610 -7.512 10.248 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -10.245 -6.743 12.105 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -9.268 -7.790 13.115 1.00 0.00 H new ATOM 478 N PRO A 32 -7.051 -6.355 12.951 1.00 0.00 N ATOM 479 CA PRO A 32 -6.004 -5.352 13.193 1.00 0.00 C ATOM 480 C PRO A 32 -5.542 -4.652 11.916 1.00 0.00 C ATOM 481 O PRO A 32 -4.939 -3.580 11.974 1.00 0.00 O ATOM 482 CB PRO A 32 -4.852 -6.164 13.801 1.00 0.00 C ATOM 483 CG PRO A 32 -5.138 -7.582 13.440 1.00 0.00 C ATOM 484 CD PRO A 32 -6.633 -7.699 13.385 1.00 0.00 C ATOM 0 HA PRO A 32 -6.367 -4.550 13.836 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -3.890 -5.843 13.401 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -4.807 -6.035 14.882 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -4.691 -7.838 12.480 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -4.720 -8.265 14.179 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -6.953 -8.468 12.682 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -7.054 -7.959 14.356 1.00 0.00 H new ATOM 492 N CYS A 33 -5.820 -5.259 10.768 1.00 0.00 N ATOM 493 CA CYS A 33 -5.426 -4.686 9.484 1.00 0.00 C ATOM 494 C CYS A 33 -5.906 -3.242 9.338 1.00 0.00 C ATOM 495 O CYS A 33 -5.316 -2.456 8.596 1.00 0.00 O ATOM 496 CB CYS A 33 -5.976 -5.530 8.334 1.00 0.00 C ATOM 497 SG CYS A 33 -5.213 -7.158 8.184 1.00 0.00 S ATOM 0 H CYS A 33 -6.316 -6.147 10.699 1.00 0.00 H new ATOM 0 HA CYS A 33 -4.337 -4.686 9.448 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -7.050 -5.655 8.471 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -5.835 -4.987 7.399 1.00 0.00 H new ATOM 0 HG CYS A 33 -5.587 -7.906 9.180 1.00 0.00 H new ATOM 503 N LYS A 34 -6.985 -2.900 10.039 1.00 0.00 N ATOM 504 CA LYS A 34 -7.542 -1.552 9.972 1.00 0.00 C ATOM 505 C LYS A 34 -6.757 -0.574 10.842 1.00 0.00 C ATOM 506 O LYS A 34 -6.753 0.629 10.585 1.00 0.00 O ATOM 507 CB LYS A 34 -9.012 -1.566 10.399 1.00 0.00 C ATOM 508 CG LYS A 34 -9.672 -0.196 10.366 1.00 0.00 C ATOM 509 CD LYS A 34 -9.649 0.399 8.967 1.00 0.00 C ATOM 510 CE LYS A 34 -10.313 1.767 8.935 1.00 0.00 C ATOM 511 NZ LYS A 34 -11.737 1.703 9.369 1.00 0.00 N ATOM 0 H LYS A 34 -7.489 -3.535 10.658 1.00 0.00 H new ATOM 0 HA LYS A 34 -7.468 -1.215 8.938 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -9.564 -2.241 9.746 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -9.084 -1.970 11.409 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -10.703 -0.279 10.710 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -9.158 0.473 11.056 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -8.618 0.485 8.623 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -10.160 -0.272 8.276 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -9.766 2.451 9.584 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -10.259 2.173 7.925 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -12.222 2.582 9.098 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -12.204 0.894 8.911 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -11.780 1.588 10.402 1.00 0.00 H new ATOM 525 N MET A 35 -6.085 -1.095 11.864 1.00 0.00 N ATOM 526 CA MET A 35 -5.292 -0.256 12.760 1.00 0.00 C ATOM 527 C MET A 35 -4.019 0.235 12.071 1.00 0.00 C ATOM 528 O MET A 35 -3.237 0.985 12.655 1.00 0.00 O ATOM 529 CB MET A 35 -4.932 -1.034 14.024 1.00 0.00 C ATOM 530 CG MET A 35 -6.142 -1.552 14.781 1.00 0.00 C ATOM 531 SD MET A 35 -7.216 -0.227 15.365 1.00 0.00 S ATOM 532 CE MET A 35 -6.088 0.688 16.414 1.00 0.00 C ATOM 0 H MET A 35 -6.073 -2.089 12.093 1.00 0.00 H new ATOM 0 HA MET A 35 -5.892 0.613 13.029 1.00 0.00 H new ATOM 0 HB2 MET A 35 -4.295 -1.876 13.754 1.00 0.00 H new ATOM 0 HB3 MET A 35 -4.349 -0.391 14.683 1.00 0.00 H new ATOM 0 HG2 MET A 35 -6.713 -2.218 14.134 1.00 0.00 H new ATOM 0 HG3 MET A 35 -5.807 -2.144 15.632 1.00 0.00 H new ATOM 0 HE1 MET A 35 -6.657 1.290 17.123 1.00 0.00 H new ATOM 0 HE2 MET A 35 -5.451 -0.009 16.959 1.00 0.00 H new ATOM 0 HE3 MET A 35 -5.468 1.341 15.799 1.00 0.00 H new ATOM 542 N ILE A 36 -3.816 -0.198 10.832 1.00 0.00 N ATOM 543 CA ILE A 36 -2.644 0.185 10.059 1.00 0.00 C ATOM 544 C ILE A 36 -2.851 1.517 9.334 1.00 0.00 C ATOM 545 O ILE A 36 -1.886 2.203 8.995 1.00 0.00 O ATOM 546 CB ILE A 36 -2.289 -0.911 9.037 1.00 0.00 C ATOM 547 CG1 ILE A 36 -1.857 -2.184 9.767 1.00 0.00 C ATOM 548 CG2 ILE A 36 -1.204 -0.433 8.091 1.00 0.00 C ATOM 549 CD1 ILE A 36 -1.400 -3.291 8.844 1.00 0.00 C ATOM 0 H ILE A 36 -4.456 -0.821 10.339 1.00 0.00 H new ATOM 0 HA ILE A 36 -1.820 0.306 10.762 1.00 0.00 H new ATOM 0 HB ILE A 36 -3.173 -1.135 8.441 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -1.048 -1.940 10.455 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -2.690 -2.547 10.370 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -0.969 -1.223 7.378 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -1.552 0.449 7.554 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -0.310 -0.181 8.661 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -1.110 -4.160 9.434 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -2.214 -3.564 8.172 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -0.546 -2.948 8.259 1.00 0.00 H new ATOM 561 N ALA A 37 -4.108 1.883 9.103 1.00 0.00 N ATOM 562 CA ALA A 37 -4.427 3.135 8.422 1.00 0.00 C ATOM 563 C ALA A 37 -3.721 4.333 9.063 1.00 0.00 C ATOM 564 O ALA A 37 -3.163 5.173 8.358 1.00 0.00 O ATOM 565 CB ALA A 37 -5.932 3.356 8.403 1.00 0.00 C ATOM 0 H ALA A 37 -4.922 1.332 9.376 1.00 0.00 H new ATOM 0 HA ALA A 37 -4.063 3.052 7.398 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -6.156 4.293 7.892 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -6.414 2.532 7.877 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -6.306 3.402 9.426 1.00 0.00 H new ATOM 571 N PRO A 38 -3.721 4.434 10.408 1.00 0.00 N ATOM 572 CA PRO A 38 -3.060 5.542 11.098 1.00 0.00 C ATOM 573 C PRO A 38 -1.547 5.403 11.044 1.00 0.00 C ATOM 574 O PRO A 38 -0.826 6.394 10.937 1.00 0.00 O ATOM 575 CB PRO A 38 -3.574 5.438 12.534 1.00 0.00 C ATOM 576 CG PRO A 38 -3.961 4.010 12.711 1.00 0.00 C ATOM 577 CD PRO A 38 -4.341 3.482 11.350 1.00 0.00 C ATOM 0 HA PRO A 38 -3.278 6.508 10.643 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -2.804 5.728 13.249 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -4.425 6.099 12.696 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -3.135 3.436 13.130 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -4.796 3.920 13.406 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -3.968 2.469 11.197 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -5.423 3.445 11.225 1.00 0.00 H new ATOM 585 N MET A 39 -1.074 4.163 11.087 1.00 0.00 N ATOM 586 CA MET A 39 0.354 3.895 11.009 1.00 0.00 C ATOM 587 C MET A 39 0.862 4.301 9.634 1.00 0.00 C ATOM 588 O MET A 39 1.809 5.075 9.512 1.00 0.00 O ATOM 589 CB MET A 39 0.636 2.413 11.264 1.00 0.00 C ATOM 590 CG MET A 39 2.102 2.051 11.201 1.00 0.00 C ATOM 591 SD MET A 39 2.402 0.298 11.497 1.00 0.00 S ATOM 592 CE MET A 39 4.186 0.230 11.352 1.00 0.00 C ATOM 0 H MET A 39 -1.657 3.331 11.175 1.00 0.00 H new ATOM 0 HA MET A 39 0.872 4.474 11.774 1.00 0.00 H new ATOM 0 HB2 MET A 39 0.246 2.142 12.245 1.00 0.00 H new ATOM 0 HB3 MET A 39 0.093 1.818 10.530 1.00 0.00 H new ATOM 0 HG2 MET A 39 2.497 2.322 10.222 1.00 0.00 H new ATOM 0 HG3 MET A 39 2.649 2.638 11.939 1.00 0.00 H new ATOM 0 HE1 MET A 39 4.557 -0.669 11.843 1.00 0.00 H new ATOM 0 HE2 MET A 39 4.465 0.209 10.298 1.00 0.00 H new ATOM 0 HE3 MET A 39 4.623 1.109 11.826 1.00 0.00 H new ATOM 602 N ILE A 40 0.196 3.795 8.597 1.00 0.00 N ATOM 603 CA ILE A 40 0.549 4.119 7.220 1.00 0.00 C ATOM 604 C ILE A 40 0.703 5.630 7.046 1.00 0.00 C ATOM 605 O ILE A 40 1.473 6.097 6.205 1.00 0.00 O ATOM 606 CB ILE A 40 -0.527 3.593 6.239 1.00 0.00 C ATOM 607 CG1 ILE A 40 -0.532 2.068 6.226 1.00 0.00 C ATOM 608 CG2 ILE A 40 -0.295 4.134 4.832 1.00 0.00 C ATOM 609 CD1 ILE A 40 -1.616 1.478 5.349 1.00 0.00 C ATOM 0 H ILE A 40 -0.594 3.156 8.688 1.00 0.00 H new ATOM 0 HA ILE A 40 1.499 3.634 6.996 1.00 0.00 H new ATOM 0 HB ILE A 40 -1.500 3.945 6.582 1.00 0.00 H new ATOM 0 HG12 ILE A 40 0.439 1.712 5.881 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -0.661 1.704 7.245 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -1.065 3.749 4.163 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -0.340 5.223 4.849 1.00 0.00 H new ATOM 0 HG23 ILE A 40 0.686 3.817 4.477 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -1.562 0.390 5.386 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -2.592 1.805 5.707 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -1.475 1.813 4.321 1.00 0.00 H new ATOM 621 N GLU A 41 -0.037 6.383 7.851 1.00 0.00 N ATOM 622 CA GLU A 41 0.003 7.838 7.801 1.00 0.00 C ATOM 623 C GLU A 41 1.257 8.375 8.480 1.00 0.00 C ATOM 624 O GLU A 41 1.799 9.409 8.083 1.00 0.00 O ATOM 625 CB GLU A 41 -1.242 8.412 8.479 1.00 0.00 C ATOM 626 CG GLU A 41 -1.272 9.931 8.519 1.00 0.00 C ATOM 627 CD GLU A 41 -2.515 10.472 9.200 1.00 0.00 C ATOM 628 OE1 GLU A 41 -3.630 10.180 8.719 1.00 0.00 O ATOM 629 OE2 GLU A 41 -2.373 11.186 10.215 1.00 0.00 O ATOM 0 H GLU A 41 -0.676 6.006 8.551 1.00 0.00 H new ATOM 0 HA GLU A 41 0.024 8.145 6.755 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -2.128 8.054 7.955 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -1.299 8.030 9.498 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -0.388 10.295 9.043 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -1.222 10.319 7.502 1.00 0.00 H new ATOM 636 N LYS A 42 1.711 7.672 9.510 1.00 0.00 N ATOM 637 CA LYS A 42 2.896 8.076 10.256 1.00 0.00 C ATOM 638 C LYS A 42 4.161 7.979 9.404 1.00 0.00 C ATOM 639 O LYS A 42 5.179 8.593 9.722 1.00 0.00 O ATOM 640 CB LYS A 42 3.044 7.218 11.514 1.00 0.00 C ATOM 641 CG LYS A 42 1.924 7.411 12.514 1.00 0.00 C ATOM 642 CD LYS A 42 2.135 6.547 13.743 1.00 0.00 C ATOM 643 CE LYS A 42 1.021 6.752 14.748 1.00 0.00 C ATOM 644 NZ LYS A 42 1.209 5.919 15.968 1.00 0.00 N ATOM 0 H LYS A 42 1.274 6.815 9.849 1.00 0.00 H new ATOM 0 HA LYS A 42 2.767 9.120 10.542 1.00 0.00 H new ATOM 0 HB2 LYS A 42 3.085 6.168 11.225 1.00 0.00 H new ATOM 0 HB3 LYS A 42 3.994 7.453 11.995 1.00 0.00 H new ATOM 0 HG2 LYS A 42 1.871 8.459 12.807 1.00 0.00 H new ATOM 0 HG3 LYS A 42 0.970 7.161 12.049 1.00 0.00 H new ATOM 0 HD2 LYS A 42 2.178 5.498 13.451 1.00 0.00 H new ATOM 0 HD3 LYS A 42 3.093 6.790 14.202 1.00 0.00 H new ATOM 0 HE2 LYS A 42 0.977 7.804 15.031 1.00 0.00 H new ATOM 0 HE3 LYS A 42 0.065 6.506 14.285 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 0.425 6.090 16.629 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 1.225 4.914 15.703 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 2.108 6.171 16.425 1.00 0.00 H new ATOM 658 N PHE A 43 4.099 7.202 8.325 1.00 0.00 N ATOM 659 CA PHE A 43 5.251 7.033 7.444 1.00 0.00 C ATOM 660 C PHE A 43 5.265 8.070 6.331 1.00 0.00 C ATOM 661 O PHE A 43 6.326 8.420 5.813 1.00 0.00 O ATOM 662 CB PHE A 43 5.271 5.623 6.851 1.00 0.00 C ATOM 663 CG PHE A 43 5.511 4.550 7.873 1.00 0.00 C ATOM 664 CD1 PHE A 43 4.650 4.394 8.947 1.00 0.00 C ATOM 665 CD2 PHE A 43 6.598 3.698 7.760 1.00 0.00 C ATOM 666 CE1 PHE A 43 4.868 3.407 9.890 1.00 0.00 C ATOM 667 CE2 PHE A 43 6.822 2.710 8.700 1.00 0.00 C ATOM 668 CZ PHE A 43 5.955 2.565 9.766 1.00 0.00 C ATOM 0 H PHE A 43 3.268 6.682 8.041 1.00 0.00 H new ATOM 0 HA PHE A 43 6.147 7.178 8.047 1.00 0.00 H new ATOM 0 HB2 PHE A 43 4.321 5.433 6.352 1.00 0.00 H new ATOM 0 HB3 PHE A 43 6.048 5.568 6.088 1.00 0.00 H new ATOM 0 HD1 PHE A 43 3.799 5.051 9.049 1.00 0.00 H new ATOM 0 HD2 PHE A 43 7.278 3.807 6.928 1.00 0.00 H new ATOM 0 HE1 PHE A 43 4.189 3.295 10.722 1.00 0.00 H new ATOM 0 HE2 PHE A 43 7.673 2.052 8.602 1.00 0.00 H new ATOM 0 HZ PHE A 43 6.128 1.793 10.502 1.00 0.00 H new ATOM 678 N SER A 44 4.091 8.563 5.972 1.00 0.00 N ATOM 679 CA SER A 44 3.974 9.561 4.930 1.00 0.00 C ATOM 680 C SER A 44 4.757 10.825 5.286 1.00 0.00 C ATOM 681 O SER A 44 5.033 11.656 4.420 1.00 0.00 O ATOM 682 CB SER A 44 2.503 9.893 4.712 1.00 0.00 C ATOM 683 OG SER A 44 1.774 8.743 4.321 1.00 0.00 O ATOM 0 H SER A 44 3.204 8.285 6.391 1.00 0.00 H new ATOM 0 HA SER A 44 4.397 9.157 4.010 1.00 0.00 H new ATOM 0 HB2 SER A 44 2.079 10.302 5.629 1.00 0.00 H new ATOM 0 HB3 SER A 44 2.410 10.664 3.947 1.00 0.00 H new ATOM 0 HG SER A 44 2.398 8.021 4.097 1.00 0.00 H new ATOM 689 N GLU A 45 5.120 10.963 6.559 1.00 0.00 N ATOM 690 CA GLU A 45 5.876 12.123 7.015 1.00 0.00 C ATOM 691 C GLU A 45 7.376 11.904 6.824 1.00 0.00 C ATOM 692 O GLU A 45 8.153 12.857 6.792 1.00 0.00 O ATOM 693 CB GLU A 45 5.574 12.411 8.486 1.00 0.00 C ATOM 694 CG GLU A 45 4.109 12.707 8.759 1.00 0.00 C ATOM 695 CD GLU A 45 3.836 12.992 10.224 1.00 0.00 C ATOM 696 OE1 GLU A 45 4.104 12.104 11.060 1.00 0.00 O ATOM 697 OE2 GLU A 45 3.354 14.102 10.533 1.00 0.00 O ATOM 0 H GLU A 45 4.903 10.286 7.291 1.00 0.00 H new ATOM 0 HA GLU A 45 5.572 12.981 6.416 1.00 0.00 H new ATOM 0 HB2 GLU A 45 5.881 11.554 9.086 1.00 0.00 H new ATOM 0 HB3 GLU A 45 6.175 13.260 8.812 1.00 0.00 H new ATOM 0 HG2 GLU A 45 3.798 13.564 8.162 1.00 0.00 H new ATOM 0 HG3 GLU A 45 3.505 11.858 8.439 1.00 0.00 H new ATOM 704 N GLN A 46 7.774 10.640 6.702 1.00 0.00 N ATOM 705 CA GLN A 46 9.178 10.290 6.515 1.00 0.00 C ATOM 706 C GLN A 46 9.547 10.226 5.038 1.00 0.00 C ATOM 707 O GLN A 46 10.648 10.617 4.649 1.00 0.00 O ATOM 708 CB GLN A 46 9.468 8.947 7.177 1.00 0.00 C ATOM 709 CG GLN A 46 9.050 8.907 8.632 1.00 0.00 C ATOM 710 CD GLN A 46 9.867 9.840 9.503 1.00 0.00 C ATOM 711 OE1 GLN A 46 11.091 9.719 9.586 1.00 0.00 O ATOM 712 NE2 GLN A 46 9.194 10.777 10.160 1.00 0.00 N ATOM 0 H GLN A 46 7.142 9.840 6.729 1.00 0.00 H new ATOM 0 HA GLN A 46 9.783 11.069 6.979 1.00 0.00 H new ATOM 0 HB2 GLN A 46 8.948 8.159 6.633 1.00 0.00 H new ATOM 0 HB3 GLN A 46 10.535 8.734 7.104 1.00 0.00 H new ATOM 0 HG2 GLN A 46 7.996 9.174 8.710 1.00 0.00 H new ATOM 0 HG3 GLN A 46 9.149 7.888 9.006 1.00 0.00 H new ATOM 0 HE21 GLN A 46 8.181 10.841 10.062 1.00 0.00 H new ATOM 0 HE22 GLN A 46 9.690 11.433 10.763 1.00 0.00 H new ATOM 721 N TYR A 47 8.625 9.730 4.215 1.00 0.00 N ATOM 722 CA TYR A 47 8.873 9.620 2.782 1.00 0.00 C ATOM 723 C TYR A 47 7.826 10.381 1.966 1.00 0.00 C ATOM 724 O TYR A 47 7.359 9.892 0.940 1.00 0.00 O ATOM 725 CB TYR A 47 8.887 8.149 2.371 1.00 0.00 C ATOM 726 CG TYR A 47 9.920 7.327 3.107 1.00 0.00 C ATOM 727 CD1 TYR A 47 11.277 7.489 2.853 1.00 0.00 C ATOM 728 CD2 TYR A 47 9.537 6.395 4.060 1.00 0.00 C ATOM 729 CE1 TYR A 47 12.222 6.739 3.529 1.00 0.00 C ATOM 730 CE2 TYR A 47 10.476 5.641 4.741 1.00 0.00 C ATOM 731 CZ TYR A 47 11.816 5.817 4.470 1.00 0.00 C ATOM 732 OH TYR A 47 12.755 5.070 5.145 1.00 0.00 O ATOM 0 H TYR A 47 7.707 9.401 4.514 1.00 0.00 H new ATOM 0 HA TYR A 47 9.845 10.069 2.575 1.00 0.00 H new ATOM 0 HB2 TYR A 47 7.900 7.721 2.548 1.00 0.00 H new ATOM 0 HB3 TYR A 47 9.076 8.081 1.300 1.00 0.00 H new ATOM 0 HD1 TYR A 47 11.598 8.211 2.117 1.00 0.00 H new ATOM 0 HD2 TYR A 47 8.488 6.255 4.274 1.00 0.00 H new ATOM 0 HE1 TYR A 47 13.273 6.875 3.321 1.00 0.00 H new ATOM 0 HE2 TYR A 47 10.161 4.919 5.480 1.00 0.00 H new ATOM 0 HH TYR A 47 12.432 4.150 5.243 1.00 0.00 H new ATOM 742 N PRO A 48 7.439 11.587 2.420 1.00 0.00 N ATOM 743 CA PRO A 48 6.443 12.423 1.746 1.00 0.00 C ATOM 744 C PRO A 48 6.486 12.322 0.225 1.00 0.00 C ATOM 745 O PRO A 48 5.453 12.405 -0.441 1.00 0.00 O ATOM 746 CB PRO A 48 6.832 13.825 2.203 1.00 0.00 C ATOM 747 CG PRO A 48 7.390 13.639 3.576 1.00 0.00 C ATOM 748 CD PRO A 48 7.932 12.229 3.651 1.00 0.00 C ATOM 0 HA PRO A 48 5.425 12.125 1.997 1.00 0.00 H new ATOM 0 HB2 PRO A 48 7.569 14.269 1.534 1.00 0.00 H new ATOM 0 HB3 PRO A 48 5.969 14.491 2.214 1.00 0.00 H new ATOM 0 HG2 PRO A 48 8.179 14.365 3.772 1.00 0.00 H new ATOM 0 HG3 PRO A 48 6.618 13.795 4.329 1.00 0.00 H new ATOM 0 HD2 PRO A 48 9.021 12.223 3.695 1.00 0.00 H new ATOM 0 HD3 PRO A 48 7.574 11.711 4.541 1.00 0.00 H new ATOM 756 N GLN A 49 7.679 12.141 -0.316 1.00 0.00 N ATOM 757 CA GLN A 49 7.853 12.024 -1.763 1.00 0.00 C ATOM 758 C GLN A 49 7.012 10.879 -2.313 1.00 0.00 C ATOM 759 O GLN A 49 6.455 10.969 -3.409 1.00 0.00 O ATOM 760 CB GLN A 49 9.325 11.799 -2.113 1.00 0.00 C ATOM 761 CG GLN A 49 10.241 12.925 -1.662 1.00 0.00 C ATOM 762 CD GLN A 49 9.889 14.256 -2.299 1.00 0.00 C ATOM 763 OE1 GLN A 49 8.784 14.769 -2.122 1.00 0.00 O ATOM 764 NE2 GLN A 49 10.831 14.823 -3.044 1.00 0.00 N ATOM 0 H GLN A 49 8.544 12.071 0.220 1.00 0.00 H new ATOM 0 HA GLN A 49 7.521 12.957 -2.219 1.00 0.00 H new ATOM 0 HB2 GLN A 49 9.659 10.867 -1.657 1.00 0.00 H new ATOM 0 HB3 GLN A 49 9.418 11.678 -3.192 1.00 0.00 H new ATOM 0 HG2 GLN A 49 10.186 13.020 -0.578 1.00 0.00 H new ATOM 0 HG3 GLN A 49 11.272 12.670 -1.908 1.00 0.00 H new ATOM 0 HE21 GLN A 49 11.733 14.362 -3.163 1.00 0.00 H new ATOM 0 HE22 GLN A 49 10.652 15.719 -3.497 1.00 0.00 H new ATOM 773 N ALA A 50 6.920 9.807 -1.538 1.00 0.00 N ATOM 774 CA ALA A 50 6.144 8.638 -1.926 1.00 0.00 C ATOM 775 C ALA A 50 4.704 8.766 -1.441 1.00 0.00 C ATOM 776 O ALA A 50 4.453 9.287 -0.354 1.00 0.00 O ATOM 777 CB ALA A 50 6.783 7.378 -1.361 1.00 0.00 C ATOM 0 H ALA A 50 7.377 9.723 -0.630 1.00 0.00 H new ATOM 0 HA ALA A 50 6.134 8.571 -3.014 1.00 0.00 H new ATOM 0 HB1 ALA A 50 6.196 6.508 -1.656 1.00 0.00 H new ATOM 0 HB2 ALA A 50 7.797 7.279 -1.748 1.00 0.00 H new ATOM 0 HB3 ALA A 50 6.814 7.442 -0.273 1.00 0.00 H new ATOM 783 N ASP A 51 3.762 8.294 -2.248 1.00 0.00 N ATOM 784 CA ASP A 51 2.351 8.363 -1.889 1.00 0.00 C ATOM 785 C ASP A 51 1.930 7.118 -1.119 1.00 0.00 C ATOM 786 O ASP A 51 2.064 5.997 -1.608 1.00 0.00 O ATOM 787 CB ASP A 51 1.485 8.523 -3.139 1.00 0.00 C ATOM 788 CG ASP A 51 1.794 9.799 -3.900 1.00 0.00 C ATOM 789 OD1 ASP A 51 2.697 10.546 -3.466 1.00 0.00 O ATOM 790 OD2 ASP A 51 1.134 10.050 -4.929 1.00 0.00 O ATOM 0 H ASP A 51 3.948 7.861 -3.152 1.00 0.00 H new ATOM 0 HA ASP A 51 2.207 9.234 -1.249 1.00 0.00 H new ATOM 0 HB2 ASP A 51 1.638 7.666 -3.795 1.00 0.00 H new ATOM 0 HB3 ASP A 51 0.434 8.521 -2.852 1.00 0.00 H new ATOM 795 N PHE A 52 1.427 7.322 0.092 1.00 0.00 N ATOM 796 CA PHE A 52 0.992 6.216 0.933 1.00 0.00 C ATOM 797 C PHE A 52 -0.505 5.962 0.796 1.00 0.00 C ATOM 798 O PHE A 52 -1.302 6.458 1.589 1.00 0.00 O ATOM 799 CB PHE A 52 1.341 6.487 2.397 1.00 0.00 C ATOM 800 CG PHE A 52 2.818 6.493 2.672 1.00 0.00 C ATOM 801 CD1 PHE A 52 3.649 7.415 2.053 1.00 0.00 C ATOM 802 CD2 PHE A 52 3.374 5.576 3.546 1.00 0.00 C ATOM 803 CE1 PHE A 52 5.007 7.418 2.305 1.00 0.00 C ATOM 804 CE2 PHE A 52 4.731 5.574 3.801 1.00 0.00 C ATOM 805 CZ PHE A 52 5.551 6.496 3.179 1.00 0.00 C ATOM 0 H PHE A 52 1.310 8.244 0.513 1.00 0.00 H new ATOM 0 HA PHE A 52 1.519 5.323 0.597 1.00 0.00 H new ATOM 0 HB2 PHE A 52 0.921 7.450 2.690 1.00 0.00 H new ATOM 0 HB3 PHE A 52 0.867 5.730 3.021 1.00 0.00 H new ATOM 0 HD1 PHE A 52 3.230 8.137 1.368 1.00 0.00 H new ATOM 0 HD2 PHE A 52 2.739 4.853 4.035 1.00 0.00 H new ATOM 0 HE1 PHE A 52 5.644 8.142 1.819 1.00 0.00 H new ATOM 0 HE2 PHE A 52 5.151 4.852 4.486 1.00 0.00 H new ATOM 0 HZ PHE A 52 6.613 6.496 3.375 1.00 0.00 H new ATOM 815 N TYR A 53 -0.874 5.171 -0.204 1.00 0.00 N ATOM 816 CA TYR A 53 -2.273 4.831 -0.428 1.00 0.00 C ATOM 817 C TYR A 53 -2.589 3.471 0.179 1.00 0.00 C ATOM 818 O TYR A 53 -1.736 2.848 0.813 1.00 0.00 O ATOM 819 CB TYR A 53 -2.600 4.828 -1.923 1.00 0.00 C ATOM 820 CG TYR A 53 -2.804 6.209 -2.506 1.00 0.00 C ATOM 821 CD1 TYR A 53 -3.852 7.014 -2.077 1.00 0.00 C ATOM 822 CD2 TYR A 53 -1.957 6.704 -3.488 1.00 0.00 C ATOM 823 CE1 TYR A 53 -4.047 8.274 -2.610 1.00 0.00 C ATOM 824 CE2 TYR A 53 -2.144 7.963 -4.026 1.00 0.00 C ATOM 825 CZ TYR A 53 -3.190 8.745 -3.584 1.00 0.00 C ATOM 826 OH TYR A 53 -3.382 9.999 -4.117 1.00 0.00 O ATOM 0 H TYR A 53 -0.225 4.754 -0.871 1.00 0.00 H new ATOM 0 HA TYR A 53 -2.889 5.588 0.057 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -1.792 4.332 -2.461 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -3.501 4.238 -2.087 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -4.525 6.649 -1.315 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -1.137 6.094 -3.838 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -4.866 8.888 -2.266 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -1.474 8.332 -4.789 1.00 0.00 H new ATOM 0 HH TYR A 53 -2.692 10.178 -4.789 1.00 0.00 H new ATOM 836 N LYS A 54 -3.817 3.011 -0.010 1.00 0.00 N ATOM 837 CA LYS A 54 -4.225 1.726 0.529 1.00 0.00 C ATOM 838 C LYS A 54 -5.292 1.080 -0.348 1.00 0.00 C ATOM 839 O LYS A 54 -6.222 1.741 -0.806 1.00 0.00 O ATOM 840 CB LYS A 54 -4.724 1.898 1.964 1.00 0.00 C ATOM 841 CG LYS A 54 -3.705 2.576 2.869 1.00 0.00 C ATOM 842 CD LYS A 54 -4.166 2.621 4.318 1.00 0.00 C ATOM 843 CE LYS A 54 -5.496 3.339 4.465 1.00 0.00 C ATOM 844 NZ LYS A 54 -5.424 4.755 4.011 1.00 0.00 N ATOM 0 H LYS A 54 -4.542 3.506 -0.529 1.00 0.00 H new ATOM 0 HA LYS A 54 -3.361 1.061 0.538 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -5.642 2.485 1.956 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -4.974 0.920 2.376 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -2.756 2.044 2.808 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -3.525 3.591 2.515 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -4.257 1.605 4.702 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -3.412 3.124 4.924 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -6.257 2.813 3.888 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -5.810 3.309 5.509 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -6.386 5.119 3.855 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -4.950 5.329 4.738 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -4.885 4.808 3.123 1.00 0.00 H new ATOM 858 N LEU A 55 -5.134 -0.216 -0.591 1.00 0.00 N ATOM 859 CA LEU A 55 -6.065 -0.960 -1.430 1.00 0.00 C ATOM 860 C LEU A 55 -7.156 -1.611 -0.589 1.00 0.00 C ATOM 861 O LEU A 55 -6.895 -2.123 0.499 1.00 0.00 O ATOM 862 CB LEU A 55 -5.301 -2.016 -2.233 1.00 0.00 C ATOM 863 CG LEU A 55 -6.071 -2.649 -3.395 1.00 0.00 C ATOM 864 CD1 LEU A 55 -7.224 -3.500 -2.884 1.00 0.00 C ATOM 865 CD2 LEU A 55 -6.579 -1.572 -4.341 1.00 0.00 C ATOM 0 H LEU A 55 -4.367 -0.775 -0.217 1.00 0.00 H new ATOM 0 HA LEU A 55 -6.547 -0.267 -2.119 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -4.393 -1.560 -2.628 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -4.989 -2.809 -1.553 1.00 0.00 H new ATOM 0 HG LEU A 55 -5.389 -3.300 -3.942 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -7.755 -3.938 -3.729 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -6.835 -4.295 -2.248 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -7.909 -2.877 -2.309 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -7.124 -2.037 -5.162 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -7.243 -0.897 -3.801 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -5.734 -1.009 -4.739 1.00 0.00 H new ATOM 877 N ASP A 56 -8.384 -1.581 -1.100 1.00 0.00 N ATOM 878 CA ASP A 56 -9.518 -2.163 -0.393 1.00 0.00 C ATOM 879 C ASP A 56 -9.783 -3.589 -0.871 1.00 0.00 C ATOM 880 O ASP A 56 -10.190 -3.805 -2.012 1.00 0.00 O ATOM 881 CB ASP A 56 -10.770 -1.306 -0.605 1.00 0.00 C ATOM 882 CG ASP A 56 -11.875 -1.653 0.370 1.00 0.00 C ATOM 883 OD1 ASP A 56 -12.311 -2.822 0.381 1.00 0.00 O ATOM 884 OD2 ASP A 56 -12.306 -0.755 1.124 1.00 0.00 O ATOM 0 H ASP A 56 -8.618 -1.160 -1.999 1.00 0.00 H new ATOM 0 HA ASP A 56 -9.277 -2.191 0.670 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -10.510 -0.253 -0.496 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -11.132 -1.441 -1.624 1.00 0.00 H new ATOM 889 N VAL A 57 -9.555 -4.558 0.011 1.00 0.00 N ATOM 890 CA VAL A 57 -9.774 -5.962 -0.322 1.00 0.00 C ATOM 891 C VAL A 57 -11.269 -6.295 -0.389 1.00 0.00 C ATOM 892 O VAL A 57 -11.650 -7.389 -0.801 1.00 0.00 O ATOM 893 CB VAL A 57 -9.058 -6.891 0.688 1.00 0.00 C ATOM 894 CG1 VAL A 57 -9.493 -8.344 0.514 1.00 0.00 C ATOM 895 CG2 VAL A 57 -7.550 -6.771 0.521 1.00 0.00 C ATOM 0 H VAL A 57 -9.219 -4.397 0.961 1.00 0.00 H new ATOM 0 HA VAL A 57 -9.346 -6.133 -1.310 1.00 0.00 H new ATOM 0 HB VAL A 57 -9.337 -6.578 1.694 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -8.971 -8.969 1.239 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -10.568 -8.423 0.674 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -9.250 -8.678 -0.495 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -7.052 -7.427 1.235 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -7.272 -7.059 -0.493 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -7.245 -5.740 0.701 1.00 0.00 H new ATOM 905 N ASP A 58 -12.111 -5.340 0.003 1.00 0.00 N ATOM 906 CA ASP A 58 -13.556 -5.536 -0.030 1.00 0.00 C ATOM 907 C ASP A 58 -14.149 -4.926 -1.294 1.00 0.00 C ATOM 908 O ASP A 58 -14.765 -5.620 -2.104 1.00 0.00 O ATOM 909 CB ASP A 58 -14.213 -4.900 1.197 1.00 0.00 C ATOM 910 CG ASP A 58 -15.697 -5.194 1.275 1.00 0.00 C ATOM 911 OD1 ASP A 58 -16.428 -4.814 0.336 1.00 0.00 O ATOM 912 OD2 ASP A 58 -16.130 -5.805 2.275 1.00 0.00 O ATOM 0 H ASP A 58 -11.817 -4.426 0.346 1.00 0.00 H new ATOM 0 HA ASP A 58 -13.750 -6.609 -0.024 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -13.725 -5.268 2.099 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -14.060 -3.821 1.169 1.00 0.00 H new ATOM 917 N GLU A 59 -13.959 -3.621 -1.450 1.00 0.00 N ATOM 918 CA GLU A 59 -14.472 -2.900 -2.607 1.00 0.00 C ATOM 919 C GLU A 59 -13.753 -3.334 -3.881 1.00 0.00 C ATOM 920 O GLU A 59 -14.345 -3.359 -4.961 1.00 0.00 O ATOM 921 CB GLU A 59 -14.310 -1.392 -2.400 1.00 0.00 C ATOM 922 CG GLU A 59 -14.973 -0.558 -3.484 1.00 0.00 C ATOM 923 CD GLU A 59 -16.480 -0.721 -3.505 1.00 0.00 C ATOM 924 OE1 GLU A 59 -17.125 -0.411 -2.480 1.00 0.00 O ATOM 925 OE2 GLU A 59 -17.015 -1.156 -4.546 1.00 0.00 O ATOM 0 H GLU A 59 -13.450 -3.038 -0.785 1.00 0.00 H new ATOM 0 HA GLU A 59 -15.531 -3.134 -2.715 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -14.732 -1.118 -1.433 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -13.248 -1.150 -2.365 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -14.727 0.493 -3.330 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -14.567 -0.842 -4.455 1.00 0.00 H new ATOM 932 N LEU A 60 -12.475 -3.677 -3.749 1.00 0.00 N ATOM 933 CA LEU A 60 -11.676 -4.114 -4.890 1.00 0.00 C ATOM 934 C LEU A 60 -11.149 -5.529 -4.676 1.00 0.00 C ATOM 935 O LEU A 60 -9.940 -5.762 -4.695 1.00 0.00 O ATOM 936 CB LEU A 60 -10.507 -3.154 -5.131 1.00 0.00 C ATOM 937 CG LEU A 60 -10.899 -1.731 -5.531 1.00 0.00 C ATOM 938 CD1 LEU A 60 -11.673 -1.055 -4.411 1.00 0.00 C ATOM 939 CD2 LEU A 60 -9.663 -0.921 -5.892 1.00 0.00 C ATOM 0 H LEU A 60 -11.970 -3.661 -2.863 1.00 0.00 H new ATOM 0 HA LEU A 60 -12.321 -4.112 -5.769 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -9.906 -3.106 -4.223 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -9.872 -3.571 -5.912 1.00 0.00 H new ATOM 0 HG LEU A 60 -11.544 -1.785 -6.408 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -11.943 -0.043 -4.714 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -12.578 -1.624 -4.199 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -11.054 -1.012 -3.515 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -9.960 0.089 -6.174 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -8.994 -0.876 -5.033 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -9.149 -1.395 -6.728 1.00 0.00 H new ATOM 951 N GLY A 61 -12.061 -6.472 -4.475 1.00 0.00 N ATOM 952 CA GLY A 61 -11.665 -7.852 -4.264 1.00 0.00 C ATOM 953 C GLY A 61 -10.983 -8.456 -5.477 1.00 0.00 C ATOM 954 O GLY A 61 -10.345 -9.503 -5.382 1.00 0.00 O ATOM 0 H GLY A 61 -13.067 -6.306 -4.454 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -10.991 -7.906 -3.409 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -12.545 -8.444 -4.014 1.00 0.00 H new ATOM 958 N ASP A 62 -11.119 -7.794 -6.625 1.00 0.00 N ATOM 959 CA ASP A 62 -10.514 -8.274 -7.861 1.00 0.00 C ATOM 960 C ASP A 62 -9.025 -7.945 -7.918 1.00 0.00 C ATOM 961 O ASP A 62 -8.254 -8.639 -8.578 1.00 0.00 O ATOM 962 CB ASP A 62 -11.224 -7.676 -9.064 1.00 0.00 C ATOM 963 CG ASP A 62 -12.695 -8.043 -9.114 1.00 0.00 C ATOM 964 OD1 ASP A 62 -13.424 -7.700 -8.160 1.00 0.00 O ATOM 965 OD2 ASP A 62 -13.115 -8.673 -10.105 1.00 0.00 O ATOM 0 H ASP A 62 -11.643 -6.924 -6.722 1.00 0.00 H new ATOM 0 HA ASP A 62 -10.622 -9.358 -7.883 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -11.125 -6.591 -9.038 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -10.736 -8.019 -9.977 1.00 0.00 H new ATOM 970 N VAL A 63 -8.627 -6.879 -7.228 1.00 0.00 N ATOM 971 CA VAL A 63 -7.227 -6.468 -7.211 1.00 0.00 C ATOM 972 C VAL A 63 -6.419 -7.361 -6.270 1.00 0.00 C ATOM 973 O VAL A 63 -5.401 -7.931 -6.662 1.00 0.00 O ATOM 974 CB VAL A 63 -7.077 -4.989 -6.792 1.00 0.00 C ATOM 975 CG1 VAL A 63 -5.663 -4.498 -7.057 1.00 0.00 C ATOM 976 CG2 VAL A 63 -8.092 -4.121 -7.521 1.00 0.00 C ATOM 0 H VAL A 63 -9.250 -6.288 -6.677 1.00 0.00 H new ATOM 0 HA VAL A 63 -6.841 -6.574 -8.225 1.00 0.00 H new ATOM 0 HB VAL A 63 -7.269 -4.915 -5.722 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -5.578 -3.454 -6.755 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -4.956 -5.100 -6.486 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -5.440 -4.588 -8.120 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -7.971 -3.083 -7.213 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -7.934 -4.201 -8.596 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -9.100 -4.457 -7.277 1.00 0.00 H new ATOM 986 N ALA A 64 -6.894 -7.514 -5.036 1.00 0.00 N ATOM 987 CA ALA A 64 -6.223 -8.379 -4.066 1.00 0.00 C ATOM 988 C ALA A 64 -6.111 -9.795 -4.626 1.00 0.00 C ATOM 989 O ALA A 64 -5.249 -10.572 -4.217 1.00 0.00 O ATOM 990 CB ALA A 64 -6.989 -8.389 -2.751 1.00 0.00 C ATOM 0 H ALA A 64 -7.734 -7.055 -4.685 1.00 0.00 H new ATOM 0 HA ALA A 64 -5.221 -7.993 -3.879 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -6.479 -9.037 -2.038 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -7.038 -7.376 -2.351 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -7.999 -8.761 -2.921 1.00 0.00 H new ATOM 996 N GLN A 65 -6.996 -10.117 -5.570 1.00 0.00 N ATOM 997 CA GLN A 65 -7.009 -11.430 -6.200 1.00 0.00 C ATOM 998 C GLN A 65 -6.121 -11.456 -7.443 1.00 0.00 C ATOM 999 O GLN A 65 -5.450 -12.453 -7.710 1.00 0.00 O ATOM 1000 CB GLN A 65 -8.439 -11.822 -6.574 1.00 0.00 C ATOM 1001 CG GLN A 65 -8.544 -13.186 -7.237 1.00 0.00 C ATOM 1002 CD GLN A 65 -9.969 -13.545 -7.609 1.00 0.00 C ATOM 1003 OE1 GLN A 65 -10.615 -12.844 -8.388 1.00 0.00 O ATOM 1004 NE2 GLN A 65 -10.468 -14.643 -7.053 1.00 0.00 N ATOM 0 H GLN A 65 -7.715 -9.480 -5.914 1.00 0.00 H new ATOM 0 HA GLN A 65 -6.614 -12.150 -5.483 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -9.055 -11.816 -5.675 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -8.849 -11.068 -7.246 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -7.924 -13.199 -8.133 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -8.146 -13.945 -6.563 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -9.897 -15.195 -6.412 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -11.422 -14.934 -7.267 1.00 0.00 H new ATOM 1013 N LYS A 66 -6.120 -10.362 -8.207 1.00 0.00 N ATOM 1014 CA LYS A 66 -5.308 -10.291 -9.419 1.00 0.00 C ATOM 1015 C LYS A 66 -3.832 -10.473 -9.074 1.00 0.00 C ATOM 1016 O LYS A 66 -3.132 -11.274 -9.693 1.00 0.00 O ATOM 1017 CB LYS A 66 -5.531 -8.964 -10.164 1.00 0.00 C ATOM 1018 CG LYS A 66 -4.702 -7.795 -9.648 1.00 0.00 C ATOM 1019 CD LYS A 66 -4.924 -6.547 -10.489 1.00 0.00 C ATOM 1020 CE LYS A 66 -4.037 -5.396 -10.036 1.00 0.00 C ATOM 1021 NZ LYS A 66 -2.590 -5.688 -10.243 1.00 0.00 N ATOM 0 H LYS A 66 -6.666 -9.523 -8.010 1.00 0.00 H new ATOM 0 HA LYS A 66 -5.617 -11.098 -10.083 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -5.305 -9.114 -11.220 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -6.586 -8.700 -10.099 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -4.966 -7.589 -8.611 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -3.645 -8.062 -9.661 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -4.720 -6.773 -11.536 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -5.970 -6.247 -10.425 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -4.306 -4.494 -10.585 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -4.218 -5.193 -8.980 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -2.022 -4.885 -9.905 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -2.329 -6.544 -9.713 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -2.408 -5.839 -11.256 1.00 0.00 H new ATOM 1035 N ASN A 67 -3.373 -9.733 -8.069 1.00 0.00 N ATOM 1036 CA ASN A 67 -2.000 -9.817 -7.620 1.00 0.00 C ATOM 1037 C ASN A 67 -1.784 -11.061 -6.758 1.00 0.00 C ATOM 1038 O ASN A 67 -0.657 -11.371 -6.370 1.00 0.00 O ATOM 1039 CB ASN A 67 -1.654 -8.561 -6.826 1.00 0.00 C ATOM 1040 CG ASN A 67 -1.710 -7.306 -7.673 1.00 0.00 C ATOM 1041 OD1 ASN A 67 -0.991 -7.179 -8.664 1.00 0.00 O ATOM 1042 ND2 ASN A 67 -2.567 -6.369 -7.285 1.00 0.00 N ATOM 0 H ASN A 67 -3.943 -9.065 -7.550 1.00 0.00 H new ATOM 0 HA ASN A 67 -1.347 -9.893 -8.490 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -2.345 -8.462 -5.989 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -0.655 -8.666 -6.403 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -2.649 -5.501 -7.815 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -3.144 -6.517 -6.457 1.00 0.00 H new ATOM 1049 N GLU A 68 -2.875 -11.765 -6.458 1.00 0.00 N ATOM 1050 CA GLU A 68 -2.818 -12.973 -5.645 1.00 0.00 C ATOM 1051 C GLU A 68 -2.398 -12.653 -4.214 1.00 0.00 C ATOM 1052 O GLU A 68 -1.592 -13.370 -3.619 1.00 0.00 O ATOM 1053 CB GLU A 68 -1.852 -13.988 -6.262 1.00 0.00 C ATOM 1054 CG GLU A 68 -2.226 -14.395 -7.678 1.00 0.00 C ATOM 1055 CD GLU A 68 -1.253 -15.394 -8.271 1.00 0.00 C ATOM 1056 OE1 GLU A 68 -0.054 -15.062 -8.384 1.00 0.00 O ATOM 1057 OE2 GLU A 68 -1.690 -16.511 -8.622 1.00 0.00 O ATOM 0 H GLU A 68 -3.813 -11.515 -6.770 1.00 0.00 H new ATOM 0 HA GLU A 68 -3.818 -13.406 -5.619 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -0.847 -13.565 -6.267 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -1.821 -14.877 -5.633 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -3.227 -14.825 -7.676 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -2.261 -13.508 -8.310 1.00 0.00 H new ATOM 1064 N VAL A 69 -2.949 -11.577 -3.659 1.00 0.00 N ATOM 1065 CA VAL A 69 -2.625 -11.180 -2.296 1.00 0.00 C ATOM 1066 C VAL A 69 -3.813 -11.391 -1.363 1.00 0.00 C ATOM 1067 O VAL A 69 -4.516 -10.443 -1.013 1.00 0.00 O ATOM 1068 CB VAL A 69 -2.185 -9.707 -2.228 1.00 0.00 C ATOM 1069 CG1 VAL A 69 -1.787 -9.331 -0.807 1.00 0.00 C ATOM 1070 CG2 VAL A 69 -1.040 -9.446 -3.195 1.00 0.00 C ATOM 0 H VAL A 69 -3.618 -10.969 -4.131 1.00 0.00 H new ATOM 0 HA VAL A 69 -1.798 -11.812 -1.972 1.00 0.00 H new ATOM 0 HB VAL A 69 -3.029 -9.083 -2.522 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -1.479 -8.286 -0.780 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -2.637 -9.476 -0.141 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -0.959 -9.962 -0.482 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -0.743 -8.399 -3.133 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -0.192 -10.080 -2.935 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -1.363 -9.671 -4.211 1.00 0.00 H new ATOM 1080 N SER A 70 -4.029 -12.638 -0.961 1.00 0.00 N ATOM 1081 CA SER A 70 -5.129 -12.969 -0.064 1.00 0.00 C ATOM 1082 C SER A 70 -4.689 -12.892 1.398 1.00 0.00 C ATOM 1083 O SER A 70 -5.420 -13.311 2.296 1.00 0.00 O ATOM 1084 CB SER A 70 -5.662 -14.370 -0.372 1.00 0.00 C ATOM 1085 OG SER A 70 -4.653 -15.349 -0.199 1.00 0.00 O ATOM 0 H SER A 70 -3.458 -13.435 -1.242 1.00 0.00 H new ATOM 0 HA SER A 70 -5.923 -12.239 -0.224 1.00 0.00 H new ATOM 0 HB2 SER A 70 -6.505 -14.593 0.281 1.00 0.00 H new ATOM 0 HB3 SER A 70 -6.034 -14.404 -1.396 1.00 0.00 H new ATOM 0 HG SER A 70 -5.019 -16.235 -0.400 1.00 0.00 H new ATOM 1091 N ALA A 71 -3.497 -12.350 1.632 1.00 0.00 N ATOM 1092 CA ALA A 71 -2.970 -12.219 2.984 1.00 0.00 C ATOM 1093 C ALA A 71 -3.874 -11.328 3.833 1.00 0.00 C ATOM 1094 O ALA A 71 -5.060 -11.185 3.541 1.00 0.00 O ATOM 1095 CB ALA A 71 -1.554 -11.666 2.942 1.00 0.00 C ATOM 0 H ALA A 71 -2.879 -11.995 0.902 1.00 0.00 H new ATOM 0 HA ALA A 71 -2.944 -13.207 3.444 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -1.170 -11.572 3.958 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -0.916 -12.343 2.374 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -1.560 -10.686 2.464 1.00 0.00 H new ATOM 1101 N MET A 72 -3.318 -10.736 4.889 1.00 0.00 N ATOM 1102 CA MET A 72 -4.102 -9.875 5.764 1.00 0.00 C ATOM 1103 C MET A 72 -3.251 -9.236 6.863 1.00 0.00 C ATOM 1104 O MET A 72 -3.157 -9.775 7.965 1.00 0.00 O ATOM 1105 CB MET A 72 -5.233 -10.678 6.411 1.00 0.00 C ATOM 1106 CG MET A 72 -4.759 -11.949 7.104 1.00 0.00 C ATOM 1107 SD MET A 72 -5.943 -12.567 8.312 1.00 0.00 S ATOM 1108 CE MET A 72 -5.091 -14.024 8.908 1.00 0.00 C ATOM 0 H MET A 72 -2.338 -10.837 5.155 1.00 0.00 H new ATOM 0 HA MET A 72 -4.509 -9.076 5.145 1.00 0.00 H new ATOM 0 HB2 MET A 72 -5.746 -10.047 7.138 1.00 0.00 H new ATOM 0 HB3 MET A 72 -5.964 -10.942 5.646 1.00 0.00 H new ATOM 0 HG2 MET A 72 -4.575 -12.719 6.355 1.00 0.00 H new ATOM 0 HG3 MET A 72 -3.808 -11.754 7.600 1.00 0.00 H new ATOM 0 HE1 MET A 72 -5.700 -14.518 9.665 1.00 0.00 H new ATOM 0 HE2 MET A 72 -4.918 -14.709 8.078 1.00 0.00 H new ATOM 0 HE3 MET A 72 -4.135 -13.734 9.344 1.00 0.00 H new ATOM 1118 N PRO A 73 -2.617 -8.075 6.601 1.00 0.00 N ATOM 1119 CA PRO A 73 -2.668 -7.358 5.330 1.00 0.00 C ATOM 1120 C PRO A 73 -1.449 -7.643 4.448 1.00 0.00 C ATOM 1121 O PRO A 73 -0.761 -8.645 4.639 1.00 0.00 O ATOM 1122 CB PRO A 73 -2.646 -5.916 5.811 1.00 0.00 C ATOM 1123 CG PRO A 73 -1.748 -5.942 7.001 1.00 0.00 C ATOM 1124 CD PRO A 73 -1.782 -7.347 7.559 1.00 0.00 C ATOM 0 HA PRO A 73 -3.523 -7.632 4.712 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -2.267 -5.245 5.040 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -3.645 -5.568 6.073 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -0.732 -5.664 6.722 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -2.081 -5.223 7.750 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -0.782 -7.776 7.627 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -2.208 -7.370 8.562 1.00 0.00 H new ATOM 1132 N THR A 74 -1.183 -6.753 3.490 1.00 0.00 N ATOM 1133 CA THR A 74 -0.038 -6.911 2.594 1.00 0.00 C ATOM 1134 C THR A 74 0.499 -5.555 2.136 1.00 0.00 C ATOM 1135 O THR A 74 -0.198 -4.542 2.211 1.00 0.00 O ATOM 1136 CB THR A 74 -0.425 -7.743 1.369 1.00 0.00 C ATOM 1137 OG1 THR A 74 -0.928 -9.012 1.759 1.00 0.00 O ATOM 1138 CG2 THR A 74 0.730 -7.966 0.409 1.00 0.00 C ATOM 0 H THR A 74 -1.743 -5.919 3.316 1.00 0.00 H new ATOM 0 HA THR A 74 0.744 -7.427 3.151 1.00 0.00 H new ATOM 0 HB THR A 74 -1.192 -7.165 0.854 1.00 0.00 H new ATOM 0 HG1 THR A 74 -1.880 -8.934 1.976 1.00 0.00 H new ATOM 0 HG21 THR A 74 0.390 -8.562 -0.437 1.00 0.00 H new ATOM 0 HG22 THR A 74 1.097 -7.004 0.051 1.00 0.00 H new ATOM 0 HG23 THR A 74 1.534 -8.492 0.923 1.00 0.00 H new ATOM 1146 N LEU A 75 1.738 -5.549 1.651 1.00 0.00 N ATOM 1147 CA LEU A 75 2.373 -4.327 1.168 1.00 0.00 C ATOM 1148 C LEU A 75 2.807 -4.466 -0.288 1.00 0.00 C ATOM 1149 O LEU A 75 3.565 -5.371 -0.637 1.00 0.00 O ATOM 1150 CB LEU A 75 3.588 -3.980 2.030 1.00 0.00 C ATOM 1151 CG LEU A 75 3.276 -3.319 3.371 1.00 0.00 C ATOM 1152 CD1 LEU A 75 4.531 -3.241 4.221 1.00 0.00 C ATOM 1153 CD2 LEU A 75 2.705 -1.930 3.145 1.00 0.00 C ATOM 0 H LEU A 75 2.324 -6.381 1.582 1.00 0.00 H new ATOM 0 HA LEU A 75 1.638 -3.525 1.236 1.00 0.00 H new ATOM 0 HB2 LEU A 75 4.151 -4.894 2.218 1.00 0.00 H new ATOM 0 HB3 LEU A 75 4.238 -3.316 1.460 1.00 0.00 H new ATOM 0 HG LEU A 75 2.536 -3.921 3.898 1.00 0.00 H new ATOM 0 HD11 LEU A 75 4.296 -2.768 5.174 1.00 0.00 H new ATOM 0 HD12 LEU A 75 4.913 -4.246 4.399 1.00 0.00 H new ATOM 0 HD13 LEU A 75 5.287 -2.653 3.701 1.00 0.00 H new ATOM 0 HD21 LEU A 75 2.485 -1.466 4.107 1.00 0.00 H new ATOM 0 HD22 LEU A 75 3.431 -1.321 2.606 1.00 0.00 H new ATOM 0 HD23 LEU A 75 1.788 -2.004 2.560 1.00 0.00 H new ATOM 1165 N LEU A 76 2.333 -3.554 -1.132 1.00 0.00 N ATOM 1166 CA LEU A 76 2.685 -3.565 -2.547 1.00 0.00 C ATOM 1167 C LEU A 76 3.302 -2.233 -2.961 1.00 0.00 C ATOM 1168 O LEU A 76 2.715 -1.172 -2.750 1.00 0.00 O ATOM 1169 CB LEU A 76 1.454 -3.870 -3.410 1.00 0.00 C ATOM 1170 CG LEU A 76 0.841 -5.259 -3.200 1.00 0.00 C ATOM 1171 CD1 LEU A 76 -0.163 -5.575 -4.299 1.00 0.00 C ATOM 1172 CD2 LEU A 76 1.928 -6.325 -3.145 1.00 0.00 C ATOM 0 H LEU A 76 1.704 -2.798 -0.860 1.00 0.00 H new ATOM 0 HA LEU A 76 3.423 -4.352 -2.704 1.00 0.00 H new ATOM 0 HB2 LEU A 76 0.691 -3.119 -3.206 1.00 0.00 H new ATOM 0 HB3 LEU A 76 1.730 -3.767 -4.459 1.00 0.00 H new ATOM 0 HG LEU A 76 0.315 -5.258 -2.245 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -0.586 -6.565 -4.131 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -0.961 -4.832 -4.287 1.00 0.00 H new ATOM 0 HD13 LEU A 76 0.338 -5.554 -5.267 1.00 0.00 H new ATOM 0 HD21 LEU A 76 1.471 -7.303 -2.995 1.00 0.00 H new ATOM 0 HD22 LEU A 76 2.486 -6.324 -4.081 1.00 0.00 H new ATOM 0 HD23 LEU A 76 2.606 -6.111 -2.319 1.00 0.00 H new ATOM 1184 N LEU A 77 4.495 -2.296 -3.546 1.00 0.00 N ATOM 1185 CA LEU A 77 5.201 -1.097 -3.984 1.00 0.00 C ATOM 1186 C LEU A 77 5.234 -1.013 -5.508 1.00 0.00 C ATOM 1187 O LEU A 77 5.475 -2.011 -6.189 1.00 0.00 O ATOM 1188 CB LEU A 77 6.626 -1.080 -3.423 1.00 0.00 C ATOM 1189 CG LEU A 77 6.726 -0.981 -1.900 1.00 0.00 C ATOM 1190 CD1 LEU A 77 6.084 -2.192 -1.238 1.00 0.00 C ATOM 1191 CD2 LEU A 77 8.178 -0.845 -1.470 1.00 0.00 C ATOM 0 H LEU A 77 4.994 -3.167 -3.728 1.00 0.00 H new ATOM 0 HA LEU A 77 4.663 -0.229 -3.603 1.00 0.00 H new ATOM 0 HB2 LEU A 77 7.137 -1.987 -3.746 1.00 0.00 H new ATOM 0 HB3 LEU A 77 7.162 -0.238 -3.862 1.00 0.00 H new ATOM 0 HG LEU A 77 6.186 -0.091 -1.579 1.00 0.00 H new ATOM 0 HD11 LEU A 77 6.166 -2.101 -0.155 1.00 0.00 H new ATOM 0 HD12 LEU A 77 5.032 -2.245 -1.519 1.00 0.00 H new ATOM 0 HD13 LEU A 77 6.593 -3.098 -1.566 1.00 0.00 H new ATOM 0 HD21 LEU A 77 8.231 -0.776 -0.383 1.00 0.00 H new ATOM 0 HD22 LEU A 77 8.740 -1.716 -1.806 1.00 0.00 H new ATOM 0 HD23 LEU A 77 8.606 0.055 -1.912 1.00 0.00 H new ATOM 1203 N PHE A 78 4.978 0.182 -6.035 1.00 0.00 N ATOM 1204 CA PHE A 78 4.960 0.400 -7.479 1.00 0.00 C ATOM 1205 C PHE A 78 5.672 1.703 -7.847 1.00 0.00 C ATOM 1206 O PHE A 78 5.321 2.767 -7.339 1.00 0.00 O ATOM 1207 CB PHE A 78 3.512 0.455 -7.967 1.00 0.00 C ATOM 1208 CG PHE A 78 2.688 -0.725 -7.537 1.00 0.00 C ATOM 1209 CD1 PHE A 78 2.903 -1.979 -8.089 1.00 0.00 C ATOM 1210 CD2 PHE A 78 1.707 -0.583 -6.570 1.00 0.00 C ATOM 1211 CE1 PHE A 78 2.148 -3.066 -7.686 1.00 0.00 C ATOM 1212 CE2 PHE A 78 0.950 -1.666 -6.164 1.00 0.00 C ATOM 1213 CZ PHE A 78 1.171 -2.908 -6.721 1.00 0.00 C ATOM 0 H PHE A 78 4.780 1.016 -5.482 1.00 0.00 H new ATOM 0 HA PHE A 78 5.485 -0.426 -7.959 1.00 0.00 H new ATOM 0 HB2 PHE A 78 3.046 1.368 -7.595 1.00 0.00 H new ATOM 0 HB3 PHE A 78 3.506 0.515 -9.055 1.00 0.00 H new ATOM 0 HD1 PHE A 78 3.667 -2.108 -8.841 1.00 0.00 H new ATOM 0 HD2 PHE A 78 1.531 0.386 -6.127 1.00 0.00 H new ATOM 0 HE1 PHE A 78 2.322 -4.037 -8.125 1.00 0.00 H new ATOM 0 HE2 PHE A 78 0.186 -1.540 -5.411 1.00 0.00 H new ATOM 0 HZ PHE A 78 0.582 -3.756 -6.404 1.00 0.00 H new ATOM 1223 N LYS A 79 6.663 1.624 -8.737 1.00 0.00 N ATOM 1224 CA LYS A 79 7.393 2.822 -9.159 1.00 0.00 C ATOM 1225 C LYS A 79 7.118 3.159 -10.626 1.00 0.00 C ATOM 1226 O LYS A 79 7.205 2.294 -11.497 1.00 0.00 O ATOM 1227 CB LYS A 79 8.898 2.645 -8.939 1.00 0.00 C ATOM 1228 CG LYS A 79 9.335 2.811 -7.489 1.00 0.00 C ATOM 1229 CD LYS A 79 10.830 2.584 -7.329 1.00 0.00 C ATOM 1230 CE LYS A 79 11.637 3.566 -8.166 1.00 0.00 C ATOM 1231 NZ LYS A 79 13.103 3.347 -8.015 1.00 0.00 N ATOM 0 H LYS A 79 6.976 0.757 -9.174 1.00 0.00 H new ATOM 0 HA LYS A 79 7.039 3.651 -8.546 1.00 0.00 H new ATOM 0 HB2 LYS A 79 9.192 1.654 -9.285 1.00 0.00 H new ATOM 0 HB3 LYS A 79 9.433 3.369 -9.554 1.00 0.00 H new ATOM 0 HG2 LYS A 79 9.079 3.812 -7.143 1.00 0.00 H new ATOM 0 HG3 LYS A 79 8.790 2.107 -6.860 1.00 0.00 H new ATOM 0 HD2 LYS A 79 11.104 2.688 -6.279 1.00 0.00 H new ATOM 0 HD3 LYS A 79 11.078 1.564 -7.624 1.00 0.00 H new ATOM 0 HE2 LYS A 79 11.360 3.463 -9.215 1.00 0.00 H new ATOM 0 HE3 LYS A 79 11.389 4.585 -7.870 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 13.619 4.035 -8.600 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 13.372 3.470 -7.018 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 13.343 2.383 -8.321 1.00 0.00 H new ATOM 1245 N ASN A 80 6.792 4.427 -10.893 1.00 0.00 N ATOM 1246 CA ASN A 80 6.513 4.883 -12.256 1.00 0.00 C ATOM 1247 C ASN A 80 5.527 3.959 -12.971 1.00 0.00 C ATOM 1248 O ASN A 80 5.804 3.463 -14.061 1.00 0.00 O ATOM 1249 CB ASN A 80 7.814 4.976 -13.056 1.00 0.00 C ATOM 1250 CG ASN A 80 8.801 5.951 -12.445 1.00 0.00 C ATOM 1251 OD1 ASN A 80 9.230 5.785 -11.303 1.00 0.00 O ATOM 1252 ND2 ASN A 80 9.167 6.976 -13.204 1.00 0.00 N ATOM 0 H ASN A 80 6.715 5.155 -10.183 1.00 0.00 H new ATOM 0 HA ASN A 80 6.056 5.870 -12.187 1.00 0.00 H new ATOM 0 HB2 ASN A 80 8.272 3.989 -13.115 1.00 0.00 H new ATOM 0 HB3 ASN A 80 7.588 5.284 -14.077 1.00 0.00 H new ATOM 0 HD21 ASN A 80 9.829 7.665 -12.846 1.00 0.00 H new ATOM 0 HD22 ASN A 80 8.787 7.075 -14.145 1.00 0.00 H new ATOM 1259 N GLY A 81 4.370 3.745 -12.355 1.00 0.00 N ATOM 1260 CA GLY A 81 3.350 2.893 -12.941 1.00 0.00 C ATOM 1261 C GLY A 81 3.836 1.480 -13.203 1.00 0.00 C ATOM 1262 O GLY A 81 3.219 0.739 -13.967 1.00 0.00 O ATOM 0 H GLY A 81 4.118 4.150 -11.453 1.00 0.00 H new ATOM 0 HA2 GLY A 81 2.488 2.857 -12.275 1.00 0.00 H new ATOM 0 HA3 GLY A 81 3.011 3.334 -13.878 1.00 0.00 H new ATOM 1266 N LYS A 82 4.936 1.104 -12.565 1.00 0.00 N ATOM 1267 CA LYS A 82 5.497 -0.230 -12.725 1.00 0.00 C ATOM 1268 C LYS A 82 5.436 -0.981 -11.399 1.00 0.00 C ATOM 1269 O LYS A 82 4.583 -0.702 -10.558 1.00 0.00 O ATOM 1270 CB LYS A 82 6.941 -0.139 -13.241 1.00 0.00 C ATOM 1271 CG LYS A 82 7.073 0.613 -14.554 1.00 0.00 C ATOM 1272 CD LYS A 82 6.236 -0.028 -15.650 1.00 0.00 C ATOM 1273 CE LYS A 82 6.666 -1.464 -15.912 1.00 0.00 C ATOM 1274 NZ LYS A 82 5.855 -2.098 -16.986 1.00 0.00 N ATOM 0 H LYS A 82 5.459 1.707 -11.930 1.00 0.00 H new ATOM 0 HA LYS A 82 4.910 -0.781 -13.459 1.00 0.00 H new ATOM 0 HB2 LYS A 82 7.557 0.352 -12.487 1.00 0.00 H new ATOM 0 HB3 LYS A 82 7.336 -1.147 -13.368 1.00 0.00 H new ATOM 0 HG2 LYS A 82 6.761 1.648 -14.415 1.00 0.00 H new ATOM 0 HG3 LYS A 82 8.119 0.634 -14.859 1.00 0.00 H new ATOM 0 HD2 LYS A 82 5.184 -0.008 -15.365 1.00 0.00 H new ATOM 0 HD3 LYS A 82 6.328 0.554 -16.567 1.00 0.00 H new ATOM 0 HE2 LYS A 82 7.719 -1.482 -16.193 1.00 0.00 H new ATOM 0 HE3 LYS A 82 6.571 -2.045 -14.994 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 6.179 -3.075 -17.134 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 4.853 -2.104 -16.707 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 5.965 -1.559 -17.868 1.00 0.00 H new ATOM 1288 N GLU A 83 6.335 -1.930 -11.221 1.00 0.00 N ATOM 1289 CA GLU A 83 6.382 -2.721 -10.002 1.00 0.00 C ATOM 1290 C GLU A 83 7.608 -2.329 -9.182 1.00 0.00 C ATOM 1291 O GLU A 83 8.433 -1.533 -9.634 1.00 0.00 O ATOM 1292 CB GLU A 83 6.421 -4.213 -10.366 1.00 0.00 C ATOM 1293 CG GLU A 83 6.440 -5.156 -9.173 1.00 0.00 C ATOM 1294 CD GLU A 83 6.306 -6.611 -9.576 1.00 0.00 C ATOM 1295 OE1 GLU A 83 6.202 -6.885 -10.791 1.00 0.00 O ATOM 1296 OE2 GLU A 83 6.305 -7.479 -8.677 1.00 0.00 O ATOM 0 H GLU A 83 7.048 -2.174 -11.909 1.00 0.00 H new ATOM 0 HA GLU A 83 5.493 -2.531 -9.401 1.00 0.00 H new ATOM 0 HB2 GLU A 83 5.553 -4.446 -10.983 1.00 0.00 H new ATOM 0 HB3 GLU A 83 7.305 -4.402 -10.976 1.00 0.00 H new ATOM 0 HG2 GLU A 83 7.371 -5.020 -8.622 1.00 0.00 H new ATOM 0 HG3 GLU A 83 5.627 -4.895 -8.495 1.00 0.00 H new ATOM 1303 N VAL A 84 7.709 -2.859 -7.968 1.00 0.00 N ATOM 1304 CA VAL A 84 8.831 -2.548 -7.093 1.00 0.00 C ATOM 1305 C VAL A 84 9.204 -3.744 -6.226 1.00 0.00 C ATOM 1306 O VAL A 84 10.299 -4.295 -6.350 1.00 0.00 O ATOM 1307 CB VAL A 84 8.524 -1.358 -6.194 1.00 0.00 C ATOM 1308 CG1 VAL A 84 9.736 -0.984 -5.350 1.00 0.00 C ATOM 1309 CG2 VAL A 84 8.047 -0.175 -7.017 1.00 0.00 C ATOM 0 H VAL A 84 7.028 -3.505 -7.569 1.00 0.00 H new ATOM 0 HA VAL A 84 9.672 -2.297 -7.739 1.00 0.00 H new ATOM 0 HB VAL A 84 7.721 -1.644 -5.514 1.00 0.00 H new ATOM 0 HG11 VAL A 84 9.490 -0.131 -4.717 1.00 0.00 H new ATOM 0 HG12 VAL A 84 10.019 -1.831 -4.724 1.00 0.00 H new ATOM 0 HG13 VAL A 84 10.568 -0.722 -6.004 1.00 0.00 H new ATOM 0 HG21 VAL A 84 7.833 0.665 -6.356 1.00 0.00 H new ATOM 0 HG22 VAL A 84 8.823 0.111 -7.727 1.00 0.00 H new ATOM 0 HG23 VAL A 84 7.142 -0.450 -7.559 1.00 0.00 H new ATOM 1319 N ALA A 85 8.290 -4.143 -5.349 1.00 0.00 N ATOM 1320 CA ALA A 85 8.529 -5.276 -4.464 1.00 0.00 C ATOM 1321 C ALA A 85 7.256 -5.685 -3.732 1.00 0.00 C ATOM 1322 O ALA A 85 6.389 -4.856 -3.459 1.00 0.00 O ATOM 1323 CB ALA A 85 9.627 -4.940 -3.466 1.00 0.00 C ATOM 0 H ALA A 85 7.379 -3.700 -5.232 1.00 0.00 H new ATOM 0 HA ALA A 85 8.850 -6.120 -5.075 1.00 0.00 H new ATOM 0 HB1 ALA A 85 9.797 -5.794 -2.810 1.00 0.00 H new ATOM 0 HB2 ALA A 85 10.547 -4.706 -4.002 1.00 0.00 H new ATOM 0 HB3 ALA A 85 9.326 -4.079 -2.870 1.00 0.00 H new ATOM 1329 N LYS A 86 7.155 -6.972 -3.415 1.00 0.00 N ATOM 1330 CA LYS A 86 5.993 -7.499 -2.709 1.00 0.00 C ATOM 1331 C LYS A 86 6.407 -8.108 -1.373 1.00 0.00 C ATOM 1332 O LYS A 86 7.210 -9.039 -1.329 1.00 0.00 O ATOM 1333 CB LYS A 86 5.281 -8.546 -3.568 1.00 0.00 C ATOM 1334 CG LYS A 86 6.163 -9.726 -3.944 1.00 0.00 C ATOM 1335 CD LYS A 86 5.420 -10.724 -4.819 1.00 0.00 C ATOM 1336 CE LYS A 86 4.964 -10.091 -6.125 1.00 0.00 C ATOM 1337 NZ LYS A 86 4.258 -11.069 -6.998 1.00 0.00 N ATOM 0 H LYS A 86 7.865 -7.670 -3.636 1.00 0.00 H new ATOM 0 HA LYS A 86 5.306 -6.676 -2.515 1.00 0.00 H new ATOM 0 HB2 LYS A 86 4.408 -8.913 -3.029 1.00 0.00 H new ATOM 0 HB3 LYS A 86 4.917 -8.070 -4.479 1.00 0.00 H new ATOM 0 HG2 LYS A 86 7.047 -9.367 -4.471 1.00 0.00 H new ATOM 0 HG3 LYS A 86 6.511 -10.224 -3.039 1.00 0.00 H new ATOM 0 HD2 LYS A 86 6.067 -11.575 -5.033 1.00 0.00 H new ATOM 0 HD3 LYS A 86 4.555 -11.109 -4.279 1.00 0.00 H new ATOM 0 HE2 LYS A 86 4.302 -9.252 -5.910 1.00 0.00 H new ATOM 0 HE3 LYS A 86 5.828 -9.689 -6.655 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 3.963 -10.599 -7.878 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 4.897 -11.857 -7.224 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 3.420 -11.434 -6.503 1.00 0.00 H new ATOM 1351 N VAL A 87 5.860 -7.574 -0.287 1.00 0.00 N ATOM 1352 CA VAL A 87 6.181 -8.067 1.046 1.00 0.00 C ATOM 1353 C VAL A 87 4.972 -7.986 1.972 1.00 0.00 C ATOM 1354 O VAL A 87 4.714 -6.949 2.583 1.00 0.00 O ATOM 1355 CB VAL A 87 7.348 -7.273 1.669 1.00 0.00 C ATOM 1356 CG1 VAL A 87 7.717 -7.840 3.034 1.00 0.00 C ATOM 1357 CG2 VAL A 87 8.552 -7.278 0.740 1.00 0.00 C ATOM 0 H VAL A 87 5.194 -6.802 -0.304 1.00 0.00 H new ATOM 0 HA VAL A 87 6.477 -9.110 0.935 1.00 0.00 H new ATOM 0 HB VAL A 87 7.026 -6.241 1.807 1.00 0.00 H new ATOM 0 HG11 VAL A 87 8.542 -7.266 3.456 1.00 0.00 H new ATOM 0 HG12 VAL A 87 6.855 -7.779 3.699 1.00 0.00 H new ATOM 0 HG13 VAL A 87 8.018 -8.882 2.926 1.00 0.00 H new ATOM 0 HG21 VAL A 87 9.365 -6.713 1.196 1.00 0.00 H new ATOM 0 HG22 VAL A 87 8.875 -8.305 0.568 1.00 0.00 H new ATOM 0 HG23 VAL A 87 8.280 -6.819 -0.211 1.00 0.00 H new ATOM 1367 N VAL A 88 4.238 -9.086 2.078 1.00 0.00 N ATOM 1368 CA VAL A 88 3.063 -9.135 2.938 1.00 0.00 C ATOM 1369 C VAL A 88 3.458 -8.966 4.403 1.00 0.00 C ATOM 1370 O VAL A 88 3.947 -9.902 5.037 1.00 0.00 O ATOM 1371 CB VAL A 88 2.283 -10.455 2.752 1.00 0.00 C ATOM 1372 CG1 VAL A 88 3.207 -11.652 2.934 1.00 0.00 C ATOM 1373 CG2 VAL A 88 1.107 -10.538 3.714 1.00 0.00 C ATOM 0 H VAL A 88 4.435 -9.954 1.580 1.00 0.00 H new ATOM 0 HA VAL A 88 2.412 -8.310 2.649 1.00 0.00 H new ATOM 0 HB VAL A 88 1.888 -10.472 1.736 1.00 0.00 H new ATOM 0 HG11 VAL A 88 2.640 -12.573 2.799 1.00 0.00 H new ATOM 0 HG12 VAL A 88 4.009 -11.608 2.197 1.00 0.00 H new ATOM 0 HG13 VAL A 88 3.635 -11.632 3.936 1.00 0.00 H new ATOM 0 HG21 VAL A 88 0.577 -11.478 3.560 1.00 0.00 H new ATOM 0 HG22 VAL A 88 1.472 -10.491 4.740 1.00 0.00 H new ATOM 0 HG23 VAL A 88 0.429 -9.704 3.532 1.00 0.00 H new ATOM 1383 N GLY A 89 3.242 -7.765 4.930 1.00 0.00 N ATOM 1384 CA GLY A 89 3.579 -7.487 6.314 1.00 0.00 C ATOM 1385 C GLY A 89 4.186 -6.109 6.496 1.00 0.00 C ATOM 1386 O GLY A 89 5.357 -5.893 6.184 1.00 0.00 O ATOM 0 H GLY A 89 2.839 -6.978 4.422 1.00 0.00 H new ATOM 0 HA2 GLY A 89 2.682 -7.570 6.927 1.00 0.00 H new ATOM 0 HA3 GLY A 89 4.281 -8.240 6.673 1.00 0.00 H new ATOM 1390 N ALA A 90 3.388 -5.172 7.000 1.00 0.00 N ATOM 1391 CA ALA A 90 3.855 -3.808 7.220 1.00 0.00 C ATOM 1392 C ALA A 90 4.302 -3.603 8.660 1.00 0.00 C ATOM 1393 O ALA A 90 4.099 -2.537 9.240 1.00 0.00 O ATOM 1394 CB ALA A 90 2.766 -2.810 6.854 1.00 0.00 C ATOM 0 H ALA A 90 2.416 -5.333 7.263 1.00 0.00 H new ATOM 0 HA ALA A 90 4.717 -3.640 6.575 1.00 0.00 H new ATOM 0 HB1 ALA A 90 3.129 -1.796 7.024 1.00 0.00 H new ATOM 0 HB2 ALA A 90 2.501 -2.930 5.803 1.00 0.00 H new ATOM 0 HB3 ALA A 90 1.886 -2.988 7.473 1.00 0.00 H new ATOM 1400 N ASN A 91 4.920 -4.631 9.227 1.00 0.00 N ATOM 1401 CA ASN A 91 5.408 -4.579 10.581 1.00 0.00 C ATOM 1402 C ASN A 91 6.743 -3.841 10.641 1.00 0.00 C ATOM 1403 O ASN A 91 7.576 -3.989 9.747 1.00 0.00 O ATOM 1404 CB ASN A 91 5.568 -6.001 11.099 1.00 0.00 C ATOM 1405 CG ASN A 91 6.450 -6.851 10.204 1.00 0.00 C ATOM 1406 OD1 ASN A 91 7.620 -6.538 9.991 1.00 0.00 O ATOM 1407 ND2 ASN A 91 5.888 -7.932 9.674 1.00 0.00 N ATOM 0 H ASN A 91 5.092 -5.518 8.755 1.00 0.00 H new ATOM 0 HA ASN A 91 4.696 -4.038 11.204 1.00 0.00 H new ATOM 0 HB2 ASN A 91 5.994 -5.973 12.102 1.00 0.00 H new ATOM 0 HB3 ASN A 91 4.586 -6.466 11.183 1.00 0.00 H new ATOM 0 HD21 ASN A 91 6.431 -8.541 9.062 1.00 0.00 H new ATOM 0 HD22 ASN A 91 4.913 -8.153 9.879 1.00 0.00 H new ATOM 1414 N PRO A 92 6.965 -3.031 11.692 1.00 0.00 N ATOM 1415 CA PRO A 92 8.209 -2.269 11.855 1.00 0.00 C ATOM 1416 C PRO A 92 9.453 -3.117 11.616 1.00 0.00 C ATOM 1417 O PRO A 92 10.012 -3.692 12.550 1.00 0.00 O ATOM 1418 CB PRO A 92 8.140 -1.813 13.310 1.00 0.00 C ATOM 1419 CG PRO A 92 6.683 -1.675 13.572 1.00 0.00 C ATOM 1420 CD PRO A 92 6.025 -2.789 12.804 1.00 0.00 C ATOM 0 HA PRO A 92 8.289 -1.454 11.136 1.00 0.00 H new ATOM 0 HB2 PRO A 92 8.599 -2.541 13.979 1.00 0.00 H new ATOM 0 HB3 PRO A 92 8.664 -0.869 13.458 1.00 0.00 H new ATOM 0 HG2 PRO A 92 6.467 -1.753 14.638 1.00 0.00 H new ATOM 0 HG3 PRO A 92 6.316 -0.703 13.243 1.00 0.00 H new ATOM 0 HD2 PRO A 92 5.891 -3.679 13.419 1.00 0.00 H new ATOM 0 HD3 PRO A 92 5.038 -2.501 12.442 1.00 0.00 H new ATOM 1428 N ALA A 93 9.882 -3.196 10.358 1.00 0.00 N ATOM 1429 CA ALA A 93 11.059 -3.979 10.002 1.00 0.00 C ATOM 1430 C ALA A 93 11.349 -3.900 8.505 1.00 0.00 C ATOM 1431 O ALA A 93 12.508 -3.844 8.094 1.00 0.00 O ATOM 1432 CB ALA A 93 10.878 -5.429 10.425 1.00 0.00 C ATOM 0 H ALA A 93 9.432 -2.728 9.571 1.00 0.00 H new ATOM 0 HA ALA A 93 11.912 -3.557 10.533 1.00 0.00 H new ATOM 0 HB1 ALA A 93 11.765 -6.001 10.152 1.00 0.00 H new ATOM 0 HB2 ALA A 93 10.732 -5.478 11.504 1.00 0.00 H new ATOM 0 HB3 ALA A 93 10.007 -5.849 9.922 1.00 0.00 H new ATOM 1438 N ALA A 94 10.295 -3.901 7.692 1.00 0.00 N ATOM 1439 CA ALA A 94 10.456 -3.835 6.243 1.00 0.00 C ATOM 1440 C ALA A 94 9.662 -2.688 5.640 1.00 0.00 C ATOM 1441 O ALA A 94 10.146 -1.994 4.749 1.00 0.00 O ATOM 1442 CB ALA A 94 10.057 -5.156 5.603 1.00 0.00 C ATOM 0 H ALA A 94 9.327 -3.946 8.010 1.00 0.00 H new ATOM 0 HA ALA A 94 11.510 -3.648 6.037 1.00 0.00 H new ATOM 0 HB1 ALA A 94 10.183 -5.089 4.522 1.00 0.00 H new ATOM 0 HB2 ALA A 94 10.688 -5.955 5.993 1.00 0.00 H new ATOM 0 HB3 ALA A 94 9.014 -5.372 5.834 1.00 0.00 H new ATOM 1448 N ILE A 95 8.447 -2.479 6.130 1.00 0.00 N ATOM 1449 CA ILE A 95 7.607 -1.398 5.634 1.00 0.00 C ATOM 1450 C ILE A 95 8.359 -0.066 5.622 1.00 0.00 C ATOM 1451 O ILE A 95 7.960 0.873 4.935 1.00 0.00 O ATOM 1452 CB ILE A 95 6.334 -1.260 6.491 1.00 0.00 C ATOM 1453 CG1 ILE A 95 5.470 -0.087 6.016 1.00 0.00 C ATOM 1454 CG2 ILE A 95 6.703 -1.087 7.956 1.00 0.00 C ATOM 1455 CD1 ILE A 95 5.125 -0.135 4.543 1.00 0.00 C ATOM 0 H ILE A 95 8.023 -3.042 6.868 1.00 0.00 H new ATOM 0 HA ILE A 95 7.328 -1.649 4.611 1.00 0.00 H new ATOM 0 HB ILE A 95 5.750 -2.173 6.379 1.00 0.00 H new ATOM 0 HG12 ILE A 95 4.547 -0.071 6.595 1.00 0.00 H new ATOM 0 HG13 ILE A 95 5.994 0.846 6.226 1.00 0.00 H new ATOM 0 HG21 ILE A 95 5.795 -0.991 8.551 1.00 0.00 H new ATOM 0 HG22 ILE A 95 7.268 -1.956 8.294 1.00 0.00 H new ATOM 0 HG23 ILE A 95 7.311 -0.190 8.075 1.00 0.00 H new ATOM 0 HD11 ILE A 95 4.512 0.729 4.285 1.00 0.00 H new ATOM 0 HD12 ILE A 95 6.042 -0.119 3.954 1.00 0.00 H new ATOM 0 HD13 ILE A 95 4.572 -1.050 4.328 1.00 0.00 H new ATOM 1467 N LYS A 96 9.453 0.012 6.381 1.00 0.00 N ATOM 1468 CA LYS A 96 10.249 1.234 6.441 1.00 0.00 C ATOM 1469 C LYS A 96 11.356 1.221 5.394 1.00 0.00 C ATOM 1470 O LYS A 96 11.518 2.175 4.634 1.00 0.00 O ATOM 1471 CB LYS A 96 10.838 1.425 7.843 1.00 0.00 C ATOM 1472 CG LYS A 96 11.753 0.294 8.287 1.00 0.00 C ATOM 1473 CD LYS A 96 12.255 0.507 9.707 1.00 0.00 C ATOM 1474 CE LYS A 96 11.108 0.555 10.702 1.00 0.00 C ATOM 1475 NZ LYS A 96 11.593 0.731 12.099 1.00 0.00 N ATOM 0 H LYS A 96 9.805 -0.752 6.958 1.00 0.00 H new ATOM 0 HA LYS A 96 9.590 2.075 6.224 1.00 0.00 H new ATOM 0 HB2 LYS A 96 11.396 2.361 7.868 1.00 0.00 H new ATOM 0 HB3 LYS A 96 10.022 1.521 8.559 1.00 0.00 H new ATOM 0 HG2 LYS A 96 11.217 -0.653 8.228 1.00 0.00 H new ATOM 0 HG3 LYS A 96 12.602 0.223 7.607 1.00 0.00 H new ATOM 0 HD2 LYS A 96 12.939 -0.298 9.977 1.00 0.00 H new ATOM 0 HD3 LYS A 96 12.821 1.437 9.758 1.00 0.00 H new ATOM 0 HE2 LYS A 96 10.438 1.375 10.444 1.00 0.00 H new ATOM 0 HE3 LYS A 96 10.528 -0.365 10.632 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 10.781 0.759 12.748 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 12.213 -0.064 12.354 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 12.125 1.622 12.172 1.00 0.00 H new ATOM 1489 N GLN A 97 12.113 0.129 5.359 1.00 0.00 N ATOM 1490 CA GLN A 97 13.203 -0.008 4.402 1.00 0.00 C ATOM 1491 C GLN A 97 12.655 -0.198 2.995 1.00 0.00 C ATOM 1492 O GLN A 97 13.266 0.228 2.014 1.00 0.00 O ATOM 1493 CB GLN A 97 14.092 -1.195 4.776 1.00 0.00 C ATOM 1494 CG GLN A 97 14.734 -1.068 6.151 1.00 0.00 C ATOM 1495 CD GLN A 97 15.617 -2.252 6.525 1.00 0.00 C ATOM 1496 OE1 GLN A 97 16.208 -2.272 7.604 1.00 0.00 O ATOM 1497 NE2 GLN A 97 15.716 -3.247 5.644 1.00 0.00 N ATOM 0 H GLN A 97 11.992 -0.671 5.980 1.00 0.00 H new ATOM 0 HA GLN A 97 13.799 0.904 4.428 1.00 0.00 H new ATOM 0 HB2 GLN A 97 13.497 -2.108 4.745 1.00 0.00 H new ATOM 0 HB3 GLN A 97 14.876 -1.301 4.027 1.00 0.00 H new ATOM 0 HG2 GLN A 97 15.331 -0.157 6.181 1.00 0.00 H new ATOM 0 HG3 GLN A 97 13.950 -0.960 6.900 1.00 0.00 H new ATOM 0 HE21 GLN A 97 15.212 -3.197 4.759 1.00 0.00 H new ATOM 0 HE22 GLN A 97 16.296 -4.059 5.855 1.00 0.00 H new ATOM 1506 N ALA A 98 11.495 -0.838 2.904 1.00 0.00 N ATOM 1507 CA ALA A 98 10.857 -1.082 1.618 1.00 0.00 C ATOM 1508 C ALA A 98 10.496 0.231 0.936 1.00 0.00 C ATOM 1509 O ALA A 98 10.514 0.333 -0.291 1.00 0.00 O ATOM 1510 CB ALA A 98 9.620 -1.947 1.797 1.00 0.00 C ATOM 0 H ALA A 98 10.978 -1.197 3.706 1.00 0.00 H new ATOM 0 HA ALA A 98 11.564 -1.613 0.980 1.00 0.00 H new ATOM 0 HB1 ALA A 98 9.154 -2.121 0.827 1.00 0.00 H new ATOM 0 HB2 ALA A 98 9.905 -2.902 2.239 1.00 0.00 H new ATOM 0 HB3 ALA A 98 8.913 -1.440 2.453 1.00 0.00 H new ATOM 1516 N ILE A 99 10.168 1.233 1.744 1.00 0.00 N ATOM 1517 CA ILE A 99 9.802 2.547 1.228 1.00 0.00 C ATOM 1518 C ILE A 99 11.026 3.454 1.088 1.00 0.00 C ATOM 1519 O ILE A 99 10.934 4.553 0.541 1.00 0.00 O ATOM 1520 CB ILE A 99 8.770 3.232 2.147 1.00 0.00 C ATOM 1521 CG1 ILE A 99 7.549 2.330 2.341 1.00 0.00 C ATOM 1522 CG2 ILE A 99 8.353 4.578 1.565 1.00 0.00 C ATOM 1523 CD1 ILE A 99 6.505 2.907 3.274 1.00 0.00 C ATOM 0 H ILE A 99 10.148 1.160 2.761 1.00 0.00 H new ATOM 0 HA ILE A 99 9.363 2.391 0.242 1.00 0.00 H new ATOM 0 HB ILE A 99 9.230 3.404 3.120 1.00 0.00 H new ATOM 0 HG12 ILE A 99 7.091 2.141 1.370 1.00 0.00 H new ATOM 0 HG13 ILE A 99 7.879 1.367 2.731 1.00 0.00 H new ATOM 0 HG21 ILE A 99 7.624 5.050 2.224 1.00 0.00 H new ATOM 0 HG22 ILE A 99 9.228 5.221 1.472 1.00 0.00 H new ATOM 0 HG23 ILE A 99 7.908 4.427 0.582 1.00 0.00 H new ATOM 0 HD11 ILE A 99 5.671 2.211 3.361 1.00 0.00 H new ATOM 0 HD12 ILE A 99 6.946 3.070 4.257 1.00 0.00 H new ATOM 0 HD13 ILE A 99 6.146 3.856 2.876 1.00 0.00 H new ATOM 1535 N ALA A 100 12.170 2.992 1.590 1.00 0.00 N ATOM 1536 CA ALA A 100 13.404 3.768 1.523 1.00 0.00 C ATOM 1537 C ALA A 100 14.187 3.458 0.253 1.00 0.00 C ATOM 1538 O ALA A 100 14.226 4.261 -0.679 1.00 0.00 O ATOM 1539 CB ALA A 100 14.259 3.505 2.754 1.00 0.00 C ATOM 0 H ALA A 100 12.267 2.085 2.047 1.00 0.00 H new ATOM 0 HA ALA A 100 13.136 4.824 1.498 1.00 0.00 H new ATOM 0 HB1 ALA A 100 15.177 4.090 2.691 1.00 0.00 H new ATOM 0 HB2 ALA A 100 13.706 3.791 3.649 1.00 0.00 H new ATOM 0 HB3 ALA A 100 14.507 2.445 2.805 1.00 0.00 H new ATOM 1545 N ALA A 101 14.817 2.286 0.227 1.00 0.00 N ATOM 1546 CA ALA A 101 15.609 1.864 -0.923 1.00 0.00 C ATOM 1547 C ALA A 101 14.831 2.018 -2.225 1.00 0.00 C ATOM 1548 O ALA A 101 15.414 2.258 -3.282 1.00 0.00 O ATOM 1549 CB ALA A 101 16.063 0.422 -0.747 1.00 0.00 C ATOM 0 H ALA A 101 14.794 1.611 0.991 1.00 0.00 H new ATOM 0 HA ALA A 101 16.485 2.510 -0.981 1.00 0.00 H new ATOM 0 HB1 ALA A 101 16.653 0.118 -1.612 1.00 0.00 H new ATOM 0 HB2 ALA A 101 16.670 0.339 0.154 1.00 0.00 H new ATOM 0 HB3 ALA A 101 15.191 -0.226 -0.657 1.00 0.00 H new ATOM 1555 N ASN A 102 13.512 1.876 -2.144 1.00 0.00 N ATOM 1556 CA ASN A 102 12.661 1.997 -3.310 1.00 0.00 C ATOM 1557 C ASN A 102 12.356 3.459 -3.618 1.00 0.00 C ATOM 1558 O ASN A 102 12.487 3.904 -4.758 1.00 0.00 O ATOM 1559 CB ASN A 102 11.365 1.228 -3.072 1.00 0.00 C ATOM 1560 CG ASN A 102 11.559 -0.282 -2.970 1.00 0.00 C ATOM 1561 OD1 ASN A 102 10.598 -1.019 -2.752 1.00 0.00 O ATOM 1562 ND2 ASN A 102 12.794 -0.758 -3.126 1.00 0.00 N ATOM 0 H ASN A 102 13.013 1.676 -1.277 1.00 0.00 H new ATOM 0 HA ASN A 102 13.184 1.577 -4.169 1.00 0.00 H new ATOM 0 HB2 ASN A 102 10.902 1.589 -2.154 1.00 0.00 H new ATOM 0 HB3 ASN A 102 10.671 1.442 -3.885 1.00 0.00 H new ATOM 0 HD21 ASN A 102 12.965 -1.762 -3.066 1.00 0.00 H new ATOM 0 HD22 ASN A 102 13.568 -0.119 -3.306 1.00 0.00 H new ATOM 1569 N ALA A 103 11.951 4.203 -2.594 1.00 0.00 N ATOM 1570 CA ALA A 103 11.629 5.615 -2.757 1.00 0.00 C ATOM 1571 C ALA A 103 12.826 6.494 -2.406 1.00 0.00 C ATOM 1572 O ALA A 103 12.613 7.682 -2.083 1.00 0.00 O ATOM 1573 CB ALA A 103 10.428 5.984 -1.896 1.00 0.00 C ATOM 1574 OXT ALA A 103 13.967 5.987 -2.458 1.00 0.00 O ATOM 0 H ALA A 103 11.838 3.851 -1.643 1.00 0.00 H new ATOM 0 HA ALA A 103 11.379 5.789 -3.804 1.00 0.00 H new ATOM 0 HB1 ALA A 103 10.198 7.041 -2.027 1.00 0.00 H new ATOM 0 HB2 ALA A 103 9.568 5.385 -2.196 1.00 0.00 H new ATOM 0 HB3 ALA A 103 10.658 5.790 -0.848 1.00 0.00 H new