USER MOD reduce.3.24.130724 H: found=0, std=0, add=784, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 785 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 11 LYS NZ :NH3+ -171:sc= 1.3 (180deg=0) USER MOD Set 1.2: A 51 SER OG : rot -140:sc= 0.118 USER MOD Set 1.3: A 79 TYR OH : rot -170:sc= 1.55 USER MOD Set 2.1: A 24 MET CE :methyl -150:sc= -5.52! (180deg=-6.25!) USER MOD Set 2.2: A 48 TYR OH : rot 30:sc= -0.644 USER MOD Single : A 16 GLN : amide:sc= -0.622 K(o=-0.62,f=-9!) USER MOD Single : A 19 SER OG : rot -179:sc= -0.27 USER MOD Single : A 20 HIS : no HD1:sc=-0.00494 X(o=-0.0049,f=-0.073) USER MOD Single : A 23 SER OG : rot -149:sc= -0.289 USER MOD Single : A 29 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 31 TYR OH : rot 158:sc= 0.219 USER MOD Single : A 32 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 40 THR OG1 : rot -170:sc= -1.4! USER MOD Single : A 42 HIS : no HD1:sc= -0.869 X(o=-0.87,f=-1.2) USER MOD Single : A 45 GLN : amide:sc= -0.158 K(o=-0.16,f=-0.69) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 SER OG : rot -141:sc= -5.02! USER MOD Single : A 66 GLN :FLIP amide:sc=-0.000996 F(o=-0.59,f=-0.001) USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 83 SER OG : rot 180:sc= -0.211 USER MOD Single : A 89 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 LYS NZ :NH3+ -128:sc= -0.28 (180deg=-0.592) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 THR OG1 : rot 180:sc= 0 USER MOD Single : A 102 LYS NZ :NH3+ -137:sc= -0.768 (180deg=-2.16!) USER MOD Single : A 106 TYR OH : rot 180:sc= 0 USER MOD Single : A 108 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 8 -10.714 13.095 -6.144 1.00 0.00 N ATOM 2 CA ALA A 8 -11.143 12.181 -5.091 1.00 0.00 C ATOM 3 C ALA A 8 -9.952 11.445 -4.488 1.00 0.00 C ATOM 4 O ALA A 8 -9.318 10.622 -5.147 1.00 0.00 O ATOM 5 CB ALA A 8 -12.158 11.188 -5.635 1.00 0.00 C ATOM 0 HA ALA A 8 -11.613 12.768 -4.302 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -12.469 10.512 -4.838 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -13.027 11.726 -6.014 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -11.707 10.612 -6.443 1.00 0.00 H new ATOM 11 N ASP A 9 -9.653 11.747 -3.228 1.00 0.00 N ATOM 12 CA ASP A 9 -8.537 11.113 -2.536 1.00 0.00 C ATOM 13 C ASP A 9 -8.945 10.667 -1.137 1.00 0.00 C ATOM 14 O ASP A 9 -9.208 11.493 -0.263 1.00 0.00 O ATOM 15 CB ASP A 9 -7.350 12.075 -2.452 1.00 0.00 C ATOM 16 CG ASP A 9 -6.486 12.039 -3.696 1.00 0.00 C ATOM 17 OD1 ASP A 9 -6.196 10.927 -4.186 1.00 0.00 O ATOM 18 OD2 ASP A 9 -6.099 13.122 -4.182 1.00 0.00 O ATOM 0 H ASP A 9 -10.167 12.426 -2.667 1.00 0.00 H new ATOM 0 HA ASP A 9 -8.243 10.232 -3.106 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -7.718 13.089 -2.298 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -6.742 11.822 -1.584 1.00 0.00 H new ATOM 23 N ARG A 10 -8.995 9.355 -0.931 1.00 0.00 N ATOM 24 CA ARG A 10 -9.371 8.796 0.363 1.00 0.00 C ATOM 25 C ARG A 10 -8.668 7.463 0.600 1.00 0.00 C ATOM 26 O ARG A 10 -8.636 6.603 -0.280 1.00 0.00 O ATOM 27 CB ARG A 10 -10.887 8.610 0.443 1.00 0.00 C ATOM 28 CG ARG A 10 -11.486 7.954 -0.792 1.00 0.00 C ATOM 29 CD ARG A 10 -12.710 8.710 -1.288 1.00 0.00 C ATOM 30 NE ARG A 10 -13.866 8.509 -0.418 1.00 0.00 N ATOM 31 CZ ARG A 10 -14.927 9.312 -0.398 1.00 0.00 C ATOM 32 NH1 ARG A 10 -14.984 10.370 -1.198 1.00 0.00 N ATOM 33 NH2 ARG A 10 -15.936 9.057 0.425 1.00 0.00 N ATOM 0 H ARG A 10 -8.780 8.658 -1.644 1.00 0.00 H new ATOM 0 HA ARG A 10 -9.060 9.495 1.139 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -11.125 8.004 1.317 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -11.357 9.582 0.592 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -10.737 7.913 -1.583 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -11.762 6.925 -0.561 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -12.480 9.774 -1.346 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -12.955 8.381 -2.298 1.00 0.00 H new ATOM 0 HE ARG A 10 -13.860 7.706 0.211 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -14.212 10.571 -1.833 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -15.800 10.981 -1.178 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -15.898 8.246 1.042 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -16.749 9.672 0.441 1.00 0.00 H new ATOM 47 N LYS A 11 -8.106 7.298 1.793 1.00 0.00 N ATOM 48 CA LYS A 11 -7.403 6.069 2.142 1.00 0.00 C ATOM 49 C LYS A 11 -7.629 5.712 3.607 1.00 0.00 C ATOM 50 O LYS A 11 -7.520 6.566 4.486 1.00 0.00 O ATOM 51 CB LYS A 11 -5.905 6.222 1.865 1.00 0.00 C ATOM 52 CG LYS A 11 -5.092 4.982 2.198 1.00 0.00 C ATOM 53 CD LYS A 11 -3.669 5.341 2.599 1.00 0.00 C ATOM 54 CE LYS A 11 -2.693 5.104 1.458 1.00 0.00 C ATOM 55 NZ LYS A 11 -1.283 5.337 1.876 1.00 0.00 N ATOM 0 H LYS A 11 -8.124 7.999 2.534 1.00 0.00 H new ATOM 0 HA LYS A 11 -7.800 5.262 1.526 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -5.762 6.467 0.813 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -5.522 7.063 2.443 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -5.574 4.437 3.010 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -5.071 4.316 1.335 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -3.628 6.387 2.903 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -3.372 4.746 3.463 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -2.800 4.082 1.095 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -2.939 5.765 0.627 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -0.665 5.315 1.040 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -1.207 6.265 2.339 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -0.991 4.593 2.542 1.00 0.00 H new ATOM 69 N LEU A 12 -7.962 4.452 3.863 1.00 0.00 N ATOM 70 CA LEU A 12 -8.225 3.994 5.215 1.00 0.00 C ATOM 71 C LEU A 12 -6.980 3.530 5.924 1.00 0.00 C ATOM 72 O LEU A 12 -6.100 2.888 5.352 1.00 0.00 O ATOM 73 CB LEU A 12 -9.251 2.878 5.192 1.00 0.00 C ATOM 74 CG LEU A 12 -10.627 3.380 4.830 1.00 0.00 C ATOM 75 CD1 LEU A 12 -11.118 2.748 3.536 1.00 0.00 C ATOM 76 CD2 LEU A 12 -11.613 3.144 5.964 1.00 0.00 C ATOM 0 H LEU A 12 -8.055 3.731 3.148 1.00 0.00 H new ATOM 0 HA LEU A 12 -8.613 4.847 5.772 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -8.943 2.117 4.475 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -9.286 2.398 6.170 1.00 0.00 H new ATOM 0 HG LEU A 12 -10.557 4.456 4.669 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -12.112 3.128 3.300 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -10.432 2.997 2.726 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -11.162 1.665 3.654 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -12.596 3.516 5.675 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -11.676 2.076 6.175 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -11.274 3.670 6.856 1.00 0.00 H new ATOM 88 N CYS A 13 -6.939 3.879 7.191 1.00 0.00 N ATOM 89 CA CYS A 13 -5.821 3.530 8.057 1.00 0.00 C ATOM 90 C CYS A 13 -6.305 3.220 9.469 1.00 0.00 C ATOM 91 O CYS A 13 -7.453 3.495 9.817 1.00 0.00 O ATOM 92 CB CYS A 13 -4.802 4.671 8.095 1.00 0.00 C ATOM 93 SG CYS A 13 -3.274 4.339 7.159 1.00 0.00 S ATOM 0 H CYS A 13 -7.675 4.412 7.655 1.00 0.00 H new ATOM 0 HA CYS A 13 -5.343 2.639 7.651 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -5.268 5.573 7.699 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -4.541 4.876 9.133 1.00 0.00 H new ATOM 98 N ALA A 14 -5.420 2.650 10.278 1.00 0.00 N ATOM 99 CA ALA A 14 -5.752 2.306 11.655 1.00 0.00 C ATOM 100 C ALA A 14 -6.006 3.560 12.483 1.00 0.00 C ATOM 101 O ALA A 14 -5.167 3.965 13.288 1.00 0.00 O ATOM 102 CB ALA A 14 -4.638 1.475 12.273 1.00 0.00 C ATOM 0 H ALA A 14 -4.466 2.416 10.004 1.00 0.00 H new ATOM 0 HA ALA A 14 -6.668 1.715 11.649 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -4.898 1.225 13.301 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -4.507 0.558 11.699 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -3.710 2.046 12.262 1.00 0.00 H new ATOM 108 N ASP A 15 -7.167 4.173 12.277 1.00 0.00 N ATOM 109 CA ASP A 15 -7.531 5.386 13.002 1.00 0.00 C ATOM 110 C ASP A 15 -6.579 6.528 12.660 1.00 0.00 C ATOM 111 O ASP A 15 -5.786 6.427 11.724 1.00 0.00 O ATOM 112 CB ASP A 15 -7.519 5.129 14.512 1.00 0.00 C ATOM 113 CG ASP A 15 -8.656 5.830 15.227 1.00 0.00 C ATOM 114 OD1 ASP A 15 -9.684 6.113 14.574 1.00 0.00 O ATOM 115 OD2 ASP A 15 -8.520 6.098 16.439 1.00 0.00 O ATOM 0 H ASP A 15 -7.872 3.850 11.614 1.00 0.00 H new ATOM 0 HA ASP A 15 -8.538 5.672 12.699 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -7.584 4.057 14.696 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -6.569 5.466 14.928 1.00 0.00 H new ATOM 120 N GLN A 16 -6.665 7.614 13.421 1.00 0.00 N ATOM 121 CA GLN A 16 -5.812 8.775 13.195 1.00 0.00 C ATOM 122 C GLN A 16 -4.392 8.512 13.691 1.00 0.00 C ATOM 123 O GLN A 16 -3.907 9.183 14.603 1.00 0.00 O ATOM 124 CB GLN A 16 -6.394 10.005 13.894 1.00 0.00 C ATOM 125 CG GLN A 16 -7.584 10.612 13.168 1.00 0.00 C ATOM 126 CD GLN A 16 -8.899 9.973 13.572 1.00 0.00 C ATOM 127 OE1 GLN A 16 -8.982 8.759 13.757 1.00 0.00 O ATOM 128 NE2 GLN A 16 -9.936 10.791 13.708 1.00 0.00 N ATOM 0 H GLN A 16 -7.317 7.714 14.199 1.00 0.00 H new ATOM 0 HA GLN A 16 -5.771 8.963 12.122 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -6.697 9.729 14.904 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -5.614 10.760 13.991 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -7.625 11.681 13.375 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -7.445 10.501 12.093 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -9.821 11.791 13.545 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -10.847 10.419 13.976 1.00 0.00 H new ATOM 137 N GLU A 17 -3.731 7.531 13.083 1.00 0.00 N ATOM 138 CA GLU A 17 -2.369 7.181 13.460 1.00 0.00 C ATOM 139 C GLU A 17 -1.763 6.201 12.459 1.00 0.00 C ATOM 140 O GLU A 17 -0.672 6.427 11.936 1.00 0.00 O ATOM 141 CB GLU A 17 -2.345 6.576 14.866 1.00 0.00 C ATOM 142 CG GLU A 17 -1.226 7.119 15.741 1.00 0.00 C ATOM 143 CD GLU A 17 -0.594 6.049 16.609 1.00 0.00 C ATOM 144 OE1 GLU A 17 -1.250 5.014 16.849 1.00 0.00 O ATOM 145 OE2 GLU A 17 0.558 6.246 17.048 1.00 0.00 O ATOM 0 H GLU A 17 -4.118 6.966 12.327 1.00 0.00 H new ATOM 0 HA GLU A 17 -1.771 8.092 13.456 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -3.301 6.768 15.352 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -2.240 5.494 14.786 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -0.460 7.568 15.108 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -1.619 7.912 16.377 1.00 0.00 H new ATOM 152 N CYS A 18 -2.481 5.112 12.196 1.00 0.00 N ATOM 153 CA CYS A 18 -2.015 4.096 11.258 1.00 0.00 C ATOM 154 C CYS A 18 -0.666 3.531 11.693 1.00 0.00 C ATOM 155 O CYS A 18 0.212 3.285 10.866 1.00 0.00 O ATOM 156 CB CYS A 18 -1.908 4.682 9.849 1.00 0.00 C ATOM 157 SG CYS A 18 -2.057 3.447 8.517 1.00 0.00 S ATOM 0 H CYS A 18 -3.387 4.911 12.619 1.00 0.00 H new ATOM 0 HA CYS A 18 -2.742 3.284 11.250 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -2.685 5.435 9.720 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -0.950 5.193 9.751 1.00 0.00 H new ATOM 162 N SER A 19 -0.508 3.328 12.997 1.00 0.00 N ATOM 163 CA SER A 19 0.733 2.793 13.545 1.00 0.00 C ATOM 164 C SER A 19 0.927 1.336 13.137 1.00 0.00 C ATOM 165 O SER A 19 1.888 0.999 12.445 1.00 0.00 O ATOM 166 CB SER A 19 0.735 2.912 15.070 1.00 0.00 C ATOM 167 OG SER A 19 1.333 4.129 15.487 1.00 0.00 O ATOM 0 H SER A 19 -1.225 3.526 13.695 1.00 0.00 H new ATOM 0 HA SER A 19 1.560 3.377 13.140 1.00 0.00 H new ATOM 0 HB2 SER A 19 -0.288 2.859 15.443 1.00 0.00 H new ATOM 0 HB3 SER A 19 1.276 2.070 15.503 1.00 0.00 H new ATOM 0 HG SER A 19 1.335 4.174 16.466 1.00 0.00 H new ATOM 173 N HIS A 20 0.011 0.477 13.571 1.00 0.00 N ATOM 174 CA HIS A 20 0.086 -0.944 13.251 1.00 0.00 C ATOM 175 C HIS A 20 -0.401 -1.208 11.826 1.00 0.00 C ATOM 176 O HIS A 20 -1.413 -0.654 11.397 1.00 0.00 O ATOM 177 CB HIS A 20 -0.746 -1.757 14.245 1.00 0.00 C ATOM 178 CG HIS A 20 -0.019 -2.074 15.514 1.00 0.00 C ATOM 179 ND1 HIS A 20 1.026 -1.313 15.994 1.00 0.00 N ATOM 180 CD2 HIS A 20 -0.189 -3.080 16.406 1.00 0.00 C ATOM 181 CE1 HIS A 20 1.468 -1.835 17.125 1.00 0.00 C ATOM 182 NE2 HIS A 20 0.747 -2.907 17.396 1.00 0.00 N ATOM 0 H HIS A 20 -0.791 0.739 14.144 1.00 0.00 H new ATOM 0 HA HIS A 20 1.129 -1.252 13.323 1.00 0.00 H new ATOM 0 HB2 HIS A 20 -1.654 -1.204 14.484 1.00 0.00 H new ATOM 0 HB3 HIS A 20 -1.056 -2.688 13.771 1.00 0.00 H new ATOM 0 HD2 HIS A 20 -0.923 -3.870 16.349 1.00 0.00 H new ATOM 0 HE1 HIS A 20 2.280 -1.450 17.725 1.00 0.00 H new ATOM 0 HE2 HIS A 20 0.866 -3.510 18.210 1.00 0.00 H new ATOM 191 N PRO A 21 0.314 -2.061 11.070 1.00 0.00 N ATOM 192 CA PRO A 21 -0.057 -2.391 9.689 1.00 0.00 C ATOM 193 C PRO A 21 -1.495 -2.888 9.578 1.00 0.00 C ATOM 194 O PRO A 21 -2.141 -3.180 10.584 1.00 0.00 O ATOM 195 CB PRO A 21 0.922 -3.505 9.309 1.00 0.00 C ATOM 196 CG PRO A 21 2.092 -3.311 10.210 1.00 0.00 C ATOM 197 CD PRO A 21 1.536 -2.770 11.497 1.00 0.00 C ATOM 0 HA PRO A 21 -0.004 -1.519 9.037 1.00 0.00 H new ATOM 0 HB2 PRO A 21 0.474 -4.489 9.449 1.00 0.00 H new ATOM 0 HB3 PRO A 21 1.214 -3.434 8.261 1.00 0.00 H new ATOM 0 HG2 PRO A 21 2.617 -4.252 10.376 1.00 0.00 H new ATOM 0 HG3 PRO A 21 2.811 -2.618 9.773 1.00 0.00 H new ATOM 0 HD2 PRO A 21 1.311 -3.568 12.205 1.00 0.00 H new ATOM 0 HD3 PRO A 21 2.240 -2.098 11.988 1.00 0.00 H new ATOM 205 N ILE A 22 -1.989 -2.982 8.348 1.00 0.00 N ATOM 206 CA ILE A 22 -3.350 -3.444 8.103 1.00 0.00 C ATOM 207 C ILE A 22 -3.431 -4.963 8.167 1.00 0.00 C ATOM 208 O ILE A 22 -4.343 -5.529 8.767 1.00 0.00 O ATOM 209 CB ILE A 22 -3.867 -2.966 6.719 1.00 0.00 C ATOM 210 CG1 ILE A 22 -5.286 -2.410 6.849 1.00 0.00 C ATOM 211 CG2 ILE A 22 -3.825 -4.089 5.679 1.00 0.00 C ATOM 212 CD1 ILE A 22 -5.369 -1.148 7.680 1.00 0.00 C ATOM 0 H ILE A 22 -1.467 -2.744 7.505 1.00 0.00 H new ATOM 0 HA ILE A 22 -3.978 -3.016 8.884 1.00 0.00 H new ATOM 0 HB ILE A 22 -3.204 -2.174 6.372 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -5.680 -2.206 5.853 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -5.926 -3.171 7.295 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -4.195 -3.715 4.724 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -2.799 -4.436 5.560 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -4.452 -4.916 6.011 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -6.405 -0.812 7.728 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -5.006 -1.351 8.688 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -4.756 -0.371 7.224 1.00 0.00 H new ATOM 224 N SER A 23 -2.483 -5.611 7.513 1.00 0.00 N ATOM 225 CA SER A 23 -2.455 -7.057 7.459 1.00 0.00 C ATOM 226 C SER A 23 -1.188 -7.543 6.777 1.00 0.00 C ATOM 227 O SER A 23 -0.250 -6.778 6.551 1.00 0.00 O ATOM 228 CB SER A 23 -3.686 -7.566 6.703 1.00 0.00 C ATOM 229 OG SER A 23 -3.636 -7.195 5.336 1.00 0.00 O ATOM 0 H SER A 23 -1.721 -5.154 7.011 1.00 0.00 H new ATOM 0 HA SER A 23 -2.468 -7.447 8.477 1.00 0.00 H new ATOM 0 HB2 SER A 23 -3.745 -8.651 6.786 1.00 0.00 H new ATOM 0 HB3 SER A 23 -4.590 -7.162 7.160 1.00 0.00 H new ATOM 0 HG SER A 23 -4.547 -7.069 4.998 1.00 0.00 H new ATOM 235 N MET A 24 -1.179 -8.819 6.455 1.00 0.00 N ATOM 236 CA MET A 24 -0.036 -9.439 5.791 1.00 0.00 C ATOM 237 C MET A 24 -0.462 -10.109 4.491 1.00 0.00 C ATOM 238 O MET A 24 -1.502 -10.764 4.431 1.00 0.00 O ATOM 239 CB MET A 24 0.624 -10.464 6.714 1.00 0.00 C ATOM 240 CG MET A 24 2.136 -10.527 6.570 1.00 0.00 C ATOM 241 SD MET A 24 2.797 -12.170 6.913 1.00 0.00 S ATOM 242 CE MET A 24 4.419 -11.755 7.549 1.00 0.00 C ATOM 0 H MET A 24 -1.953 -9.457 6.641 1.00 0.00 H new ATOM 0 HA MET A 24 0.685 -8.656 5.557 1.00 0.00 H new ATOM 0 HB2 MET A 24 0.375 -10.223 7.748 1.00 0.00 H new ATOM 0 HB3 MET A 24 0.206 -11.449 6.507 1.00 0.00 H new ATOM 0 HG2 MET A 24 2.414 -10.232 5.558 1.00 0.00 H new ATOM 0 HG3 MET A 24 2.592 -9.807 7.249 1.00 0.00 H new ATOM 0 HE1 MET A 24 5.118 -12.557 7.314 1.00 0.00 H new ATOM 0 HE2 MET A 24 4.763 -10.828 7.091 1.00 0.00 H new ATOM 0 HE3 MET A 24 4.364 -11.627 8.630 1.00 0.00 H new ATOM 252 N ALA A 25 0.348 -9.944 3.449 1.00 0.00 N ATOM 253 CA ALA A 25 0.047 -10.539 2.154 1.00 0.00 C ATOM 254 C ALA A 25 1.312 -10.954 1.419 1.00 0.00 C ATOM 255 O ALA A 25 2.284 -10.203 1.353 1.00 0.00 O ATOM 256 CB ALA A 25 -0.772 -9.578 1.304 1.00 0.00 C ATOM 0 H ALA A 25 1.214 -9.405 3.477 1.00 0.00 H new ATOM 0 HA ALA A 25 -0.540 -11.439 2.333 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -0.988 -10.038 0.340 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -1.707 -9.348 1.814 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -0.208 -8.658 1.149 1.00 0.00 H new ATOM 262 N VAL A 26 1.288 -12.163 0.868 1.00 0.00 N ATOM 263 CA VAL A 26 2.429 -12.693 0.137 1.00 0.00 C ATOM 264 C VAL A 26 2.233 -12.564 -1.368 1.00 0.00 C ATOM 265 O VAL A 26 1.111 -12.598 -1.868 1.00 0.00 O ATOM 266 CB VAL A 26 2.675 -14.172 0.483 1.00 0.00 C ATOM 267 CG1 VAL A 26 3.975 -14.660 -0.136 1.00 0.00 C ATOM 268 CG2 VAL A 26 2.684 -14.375 1.991 1.00 0.00 C ATOM 0 H VAL A 26 0.488 -12.794 0.915 1.00 0.00 H new ATOM 0 HA VAL A 26 3.295 -12.104 0.437 1.00 0.00 H new ATOM 0 HB VAL A 26 1.859 -14.762 0.065 1.00 0.00 H new ATOM 0 HG11 VAL A 26 4.130 -15.708 0.121 1.00 0.00 H new ATOM 0 HG12 VAL A 26 3.923 -14.556 -1.220 1.00 0.00 H new ATOM 0 HG13 VAL A 26 4.805 -14.066 0.246 1.00 0.00 H new ATOM 0 HG21 VAL A 26 2.859 -15.427 2.215 1.00 0.00 H new ATOM 0 HG22 VAL A 26 3.477 -13.772 2.435 1.00 0.00 H new ATOM 0 HG23 VAL A 26 1.722 -14.071 2.405 1.00 0.00 H new ATOM 278 N ALA A 27 3.340 -12.419 -2.084 1.00 0.00 N ATOM 279 CA ALA A 27 3.307 -12.285 -3.534 1.00 0.00 C ATOM 280 C ALA A 27 2.819 -13.567 -4.197 1.00 0.00 C ATOM 281 O ALA A 27 3.387 -14.639 -3.990 1.00 0.00 O ATOM 282 CB ALA A 27 4.687 -11.918 -4.059 1.00 0.00 C ATOM 0 H ALA A 27 4.277 -12.391 -1.681 1.00 0.00 H new ATOM 0 HA ALA A 27 2.606 -11.488 -3.782 1.00 0.00 H new ATOM 0 HB1 ALA A 27 4.649 -11.821 -5.144 1.00 0.00 H new ATOM 0 HB2 ALA A 27 5.003 -10.972 -3.620 1.00 0.00 H new ATOM 0 HB3 ALA A 27 5.398 -12.699 -3.789 1.00 0.00 H new ATOM 288 N LEU A 28 1.767 -13.448 -4.999 1.00 0.00 N ATOM 289 CA LEU A 28 1.208 -14.599 -5.698 1.00 0.00 C ATOM 290 C LEU A 28 1.850 -14.771 -7.076 1.00 0.00 C ATOM 291 O LEU A 28 1.464 -15.659 -7.834 1.00 0.00 O ATOM 292 CB LEU A 28 -0.309 -14.446 -5.843 1.00 0.00 C ATOM 293 CG LEU A 28 -1.117 -15.714 -5.566 1.00 0.00 C ATOM 294 CD1 LEU A 28 -2.598 -15.467 -5.807 1.00 0.00 C ATOM 295 CD2 LEU A 28 -0.618 -16.862 -6.431 1.00 0.00 C ATOM 0 H LEU A 28 1.285 -12.568 -5.181 1.00 0.00 H new ATOM 0 HA LEU A 28 1.423 -15.489 -5.107 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -0.646 -13.663 -5.164 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -0.529 -14.107 -6.855 1.00 0.00 H new ATOM 0 HG LEU A 28 -0.982 -15.987 -4.520 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -3.157 -16.381 -5.605 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -2.947 -14.674 -5.145 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -2.753 -15.169 -6.844 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -1.204 -17.757 -6.221 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -0.724 -16.597 -7.483 1.00 0.00 H new ATOM 0 HD23 LEU A 28 0.432 -17.055 -6.209 1.00 0.00 H new ATOM 307 N GLN A 29 2.834 -13.921 -7.384 1.00 0.00 N ATOM 308 CA GLN A 29 3.547 -13.964 -8.655 1.00 0.00 C ATOM 309 C GLN A 29 4.338 -12.680 -8.884 1.00 0.00 C ATOM 310 O GLN A 29 4.161 -11.693 -8.170 1.00 0.00 O ATOM 311 CB GLN A 29 2.585 -14.194 -9.820 1.00 0.00 C ATOM 312 CG GLN A 29 2.487 -15.650 -10.219 1.00 0.00 C ATOM 313 CD GLN A 29 3.057 -15.923 -11.598 1.00 0.00 C ATOM 314 OE1 GLN A 29 2.324 -16.246 -12.533 1.00 0.00 O ATOM 315 NE2 GLN A 29 4.372 -15.794 -11.731 1.00 0.00 N ATOM 0 H GLN A 29 3.156 -13.185 -6.756 1.00 0.00 H new ATOM 0 HA GLN A 29 4.244 -14.801 -8.608 1.00 0.00 H new ATOM 0 HB2 GLN A 29 1.595 -13.830 -9.545 1.00 0.00 H new ATOM 0 HB3 GLN A 29 2.914 -13.608 -10.678 1.00 0.00 H new ATOM 0 HG2 GLN A 29 3.016 -16.259 -9.486 1.00 0.00 H new ATOM 0 HG3 GLN A 29 1.442 -15.959 -10.196 1.00 0.00 H new ATOM 0 HE21 GLN A 29 4.942 -15.524 -10.929 1.00 0.00 H new ATOM 0 HE22 GLN A 29 4.812 -15.965 -12.635 1.00 0.00 H new ATOM 324 N ASP A 30 5.211 -12.705 -9.886 1.00 0.00 N ATOM 325 CA ASP A 30 6.032 -11.546 -10.215 1.00 0.00 C ATOM 326 C ASP A 30 5.173 -10.406 -10.751 1.00 0.00 C ATOM 327 O ASP A 30 4.166 -10.637 -11.419 1.00 0.00 O ATOM 328 CB ASP A 30 7.098 -11.926 -11.246 1.00 0.00 C ATOM 329 CG ASP A 30 8.086 -10.803 -11.497 1.00 0.00 C ATOM 330 OD1 ASP A 30 9.082 -10.711 -10.748 1.00 0.00 O ATOM 331 OD2 ASP A 30 7.864 -10.016 -12.441 1.00 0.00 O ATOM 0 H ASP A 30 5.368 -13.516 -10.484 1.00 0.00 H new ATOM 0 HA ASP A 30 6.523 -11.209 -9.302 1.00 0.00 H new ATOM 0 HB2 ASP A 30 7.636 -12.809 -10.900 1.00 0.00 H new ATOM 0 HB3 ASP A 30 6.613 -12.196 -12.184 1.00 0.00 H new ATOM 336 N TYR A 31 5.574 -9.174 -10.451 1.00 0.00 N ATOM 337 CA TYR A 31 4.833 -8.002 -10.903 1.00 0.00 C ATOM 338 C TYR A 31 5.701 -6.745 -10.849 1.00 0.00 C ATOM 339 O TYR A 31 5.728 -6.041 -9.840 1.00 0.00 O ATOM 340 CB TYR A 31 3.574 -7.820 -10.047 1.00 0.00 C ATOM 341 CG TYR A 31 2.913 -6.468 -10.201 1.00 0.00 C ATOM 342 CD1 TYR A 31 2.250 -6.127 -11.373 1.00 0.00 C ATOM 343 CD2 TYR A 31 2.954 -5.534 -9.175 1.00 0.00 C ATOM 344 CE1 TYR A 31 1.646 -4.892 -11.516 1.00 0.00 C ATOM 345 CE2 TYR A 31 2.353 -4.299 -9.309 1.00 0.00 C ATOM 346 CZ TYR A 31 1.700 -3.982 -10.482 1.00 0.00 C ATOM 347 OH TYR A 31 1.101 -2.751 -10.621 1.00 0.00 O ATOM 0 H TYR A 31 6.405 -8.962 -9.899 1.00 0.00 H new ATOM 0 HA TYR A 31 4.540 -8.160 -11.941 1.00 0.00 H new ATOM 0 HB2 TYR A 31 2.855 -8.596 -10.308 1.00 0.00 H new ATOM 0 HB3 TYR A 31 3.836 -7.967 -8.999 1.00 0.00 H new ATOM 0 HD1 TYR A 31 2.206 -6.838 -12.185 1.00 0.00 H new ATOM 0 HD2 TYR A 31 3.465 -5.778 -8.256 1.00 0.00 H new ATOM 0 HE1 TYR A 31 1.134 -4.641 -12.433 1.00 0.00 H new ATOM 0 HE2 TYR A 31 2.394 -3.585 -8.500 1.00 0.00 H new ATOM 0 HH TYR A 31 0.918 -2.374 -9.735 1.00 0.00 H new ATOM 357 N MET A 32 6.414 -6.476 -11.940 1.00 0.00 N ATOM 358 CA MET A 32 7.283 -5.327 -12.025 1.00 0.00 C ATOM 359 C MET A 32 6.492 -4.025 -11.967 1.00 0.00 C ATOM 360 O MET A 32 5.479 -3.869 -12.650 1.00 0.00 O ATOM 361 CB MET A 32 8.105 -5.379 -13.314 1.00 0.00 C ATOM 362 CG MET A 32 9.446 -6.077 -13.153 1.00 0.00 C ATOM 363 SD MET A 32 10.630 -5.608 -14.428 1.00 0.00 S ATOM 364 CE MET A 32 9.978 -6.497 -15.839 1.00 0.00 C ATOM 0 H MET A 32 6.399 -7.052 -12.782 1.00 0.00 H new ATOM 0 HA MET A 32 7.955 -5.354 -11.167 1.00 0.00 H new ATOM 0 HB2 MET A 32 7.528 -5.892 -14.083 1.00 0.00 H new ATOM 0 HB3 MET A 32 8.274 -4.362 -13.668 1.00 0.00 H new ATOM 0 HG2 MET A 32 9.860 -5.839 -12.173 1.00 0.00 H new ATOM 0 HG3 MET A 32 9.295 -7.156 -13.182 1.00 0.00 H new ATOM 0 HE1 MET A 32 10.605 -6.307 -16.710 1.00 0.00 H new ATOM 0 HE2 MET A 32 9.970 -7.566 -15.624 1.00 0.00 H new ATOM 0 HE3 MET A 32 8.962 -6.160 -16.043 1.00 0.00 H new ATOM 374 N ALA A 33 6.962 -3.097 -11.135 1.00 0.00 N ATOM 375 CA ALA A 33 6.321 -1.805 -10.958 1.00 0.00 C ATOM 376 C ALA A 33 5.819 -1.225 -12.281 1.00 0.00 C ATOM 377 O ALA A 33 6.259 -1.636 -13.355 1.00 0.00 O ATOM 378 CB ALA A 33 7.285 -0.836 -10.290 1.00 0.00 C ATOM 0 H ALA A 33 7.799 -3.225 -10.566 1.00 0.00 H new ATOM 0 HA ALA A 33 5.450 -1.953 -10.319 1.00 0.00 H new ATOM 0 HB1 ALA A 33 6.798 0.130 -10.160 1.00 0.00 H new ATOM 0 HB2 ALA A 33 7.578 -1.228 -9.316 1.00 0.00 H new ATOM 0 HB3 ALA A 33 8.170 -0.715 -10.914 1.00 0.00 H new ATOM 384 N PRO A 34 4.890 -0.255 -12.217 1.00 0.00 N ATOM 385 CA PRO A 34 4.332 0.382 -13.413 1.00 0.00 C ATOM 386 C PRO A 34 5.343 1.285 -14.111 1.00 0.00 C ATOM 387 O PRO A 34 5.504 1.227 -15.331 1.00 0.00 O ATOM 388 CB PRO A 34 3.166 1.206 -12.866 1.00 0.00 C ATOM 389 CG PRO A 34 3.534 1.492 -11.451 1.00 0.00 C ATOM 390 CD PRO A 34 4.315 0.296 -10.976 1.00 0.00 C ATOM 0 HA PRO A 34 4.037 -0.350 -14.165 1.00 0.00 H new ATOM 0 HB2 PRO A 34 3.031 2.127 -13.434 1.00 0.00 H new ATOM 0 HB3 PRO A 34 2.228 0.654 -12.927 1.00 0.00 H new ATOM 0 HG2 PRO A 34 4.131 2.401 -11.379 1.00 0.00 H new ATOM 0 HG3 PRO A 34 2.645 1.645 -10.840 1.00 0.00 H new ATOM 0 HD2 PRO A 34 5.091 0.580 -10.266 1.00 0.00 H new ATOM 0 HD3 PRO A 34 3.674 -0.429 -10.474 1.00 0.00 H new ATOM 398 N ASP A 35 6.023 2.121 -13.331 1.00 0.00 N ATOM 399 CA ASP A 35 7.019 3.037 -13.877 1.00 0.00 C ATOM 400 C ASP A 35 7.649 3.882 -12.771 1.00 0.00 C ATOM 401 O ASP A 35 7.500 3.581 -11.586 1.00 0.00 O ATOM 402 CB ASP A 35 6.382 3.946 -14.933 1.00 0.00 C ATOM 403 CG ASP A 35 7.261 4.113 -16.156 1.00 0.00 C ATOM 404 OD1 ASP A 35 8.486 3.898 -16.042 1.00 0.00 O ATOM 405 OD2 ASP A 35 6.724 4.459 -17.230 1.00 0.00 O ATOM 0 H ASP A 35 5.902 2.183 -12.320 1.00 0.00 H new ATOM 0 HA ASP A 35 7.804 2.443 -14.345 1.00 0.00 H new ATOM 0 HB2 ASP A 35 5.420 3.531 -15.234 1.00 0.00 H new ATOM 0 HB3 ASP A 35 6.184 4.924 -14.495 1.00 0.00 H new ATOM 410 N CYS A 36 8.350 4.939 -13.169 1.00 0.00 N ATOM 411 CA CYS A 36 9.004 5.832 -12.218 1.00 0.00 C ATOM 412 C CYS A 36 10.089 5.095 -11.429 1.00 0.00 C ATOM 413 O CYS A 36 11.243 5.043 -11.853 1.00 0.00 O ATOM 414 CB CYS A 36 7.973 6.448 -11.268 1.00 0.00 C ATOM 415 SG CYS A 36 7.223 7.991 -11.884 1.00 0.00 S ATOM 0 H CYS A 36 8.480 5.199 -14.147 1.00 0.00 H new ATOM 0 HA CYS A 36 9.483 6.634 -12.780 1.00 0.00 H new ATOM 0 HB2 CYS A 36 7.183 5.720 -11.085 1.00 0.00 H new ATOM 0 HB3 CYS A 36 8.451 6.647 -10.309 1.00 0.00 H new ATOM 420 N ARG A 37 9.720 4.531 -10.280 1.00 0.00 N ATOM 421 CA ARG A 37 10.671 3.809 -9.446 1.00 0.00 C ATOM 422 C ARG A 37 9.957 3.048 -8.334 1.00 0.00 C ATOM 423 O ARG A 37 10.486 2.899 -7.232 1.00 0.00 O ATOM 424 CB ARG A 37 11.686 4.779 -8.837 1.00 0.00 C ATOM 425 CG ARG A 37 11.126 6.169 -8.567 1.00 0.00 C ATOM 426 CD ARG A 37 11.500 7.148 -9.668 1.00 0.00 C ATOM 427 NE ARG A 37 12.108 8.364 -9.134 1.00 0.00 N ATOM 428 CZ ARG A 37 13.382 8.452 -8.758 1.00 0.00 C ATOM 429 NH1 ARG A 37 14.184 7.399 -8.854 1.00 0.00 N ATOM 430 NH2 ARG A 37 13.856 9.597 -8.284 1.00 0.00 N ATOM 0 H ARG A 37 8.771 4.562 -9.909 1.00 0.00 H new ATOM 0 HA ARG A 37 11.193 3.090 -10.078 1.00 0.00 H new ATOM 0 HB2 ARG A 37 12.058 4.360 -7.902 1.00 0.00 H new ATOM 0 HB3 ARG A 37 12.539 4.866 -9.510 1.00 0.00 H new ATOM 0 HG2 ARG A 37 10.041 6.114 -8.482 1.00 0.00 H new ATOM 0 HG3 ARG A 37 11.503 6.534 -7.612 1.00 0.00 H new ATOM 0 HD2 ARG A 37 12.194 6.669 -10.359 1.00 0.00 H new ATOM 0 HD3 ARG A 37 10.609 7.409 -10.240 1.00 0.00 H new ATOM 0 HE ARG A 37 11.522 9.194 -9.044 1.00 0.00 H new ATOM 0 HH11 ARG A 37 13.825 6.516 -9.217 1.00 0.00 H new ATOM 0 HH12 ARG A 37 15.159 7.473 -8.564 1.00 0.00 H new ATOM 0 HH21 ARG A 37 13.244 10.410 -8.208 1.00 0.00 H new ATOM 0 HH22 ARG A 37 14.832 9.665 -7.996 1.00 0.00 H new ATOM 444 N PHE A 38 8.752 2.567 -8.625 1.00 0.00 N ATOM 445 CA PHE A 38 7.972 1.823 -7.644 1.00 0.00 C ATOM 446 C PHE A 38 8.674 0.523 -7.263 1.00 0.00 C ATOM 447 O PHE A 38 9.777 0.242 -7.732 1.00 0.00 O ATOM 448 CB PHE A 38 6.573 1.530 -8.190 1.00 0.00 C ATOM 449 CG PHE A 38 5.625 2.688 -8.063 1.00 0.00 C ATOM 450 CD1 PHE A 38 5.959 3.931 -8.575 1.00 0.00 C ATOM 451 CD2 PHE A 38 4.403 2.534 -7.430 1.00 0.00 C ATOM 452 CE1 PHE A 38 5.090 5.000 -8.460 1.00 0.00 C ATOM 453 CE2 PHE A 38 3.529 3.599 -7.312 1.00 0.00 C ATOM 454 CZ PHE A 38 3.873 4.833 -7.827 1.00 0.00 C ATOM 0 H PHE A 38 8.296 2.679 -9.530 1.00 0.00 H new ATOM 0 HA PHE A 38 7.879 2.436 -6.747 1.00 0.00 H new ATOM 0 HB2 PHE A 38 6.653 1.250 -9.240 1.00 0.00 H new ATOM 0 HB3 PHE A 38 6.158 0.672 -7.662 1.00 0.00 H new ATOM 0 HD1 PHE A 38 6.909 4.067 -9.070 1.00 0.00 H new ATOM 0 HD2 PHE A 38 4.130 1.571 -7.024 1.00 0.00 H new ATOM 0 HE1 PHE A 38 5.362 5.964 -8.864 1.00 0.00 H new ATOM 0 HE2 PHE A 38 2.578 3.466 -6.817 1.00 0.00 H new ATOM 0 HZ PHE A 38 3.192 5.666 -7.735 1.00 0.00 H new ATOM 464 N LEU A 39 8.032 -0.265 -6.405 1.00 0.00 N ATOM 465 CA LEU A 39 8.603 -1.531 -5.955 1.00 0.00 C ATOM 466 C LEU A 39 7.921 -2.717 -6.630 1.00 0.00 C ATOM 467 O LEU A 39 6.700 -2.863 -6.564 1.00 0.00 O ATOM 468 CB LEU A 39 8.479 -1.655 -4.435 1.00 0.00 C ATOM 469 CG LEU A 39 9.625 -2.399 -3.748 1.00 0.00 C ATOM 470 CD1 LEU A 39 10.717 -1.427 -3.332 1.00 0.00 C ATOM 471 CD2 LEU A 39 9.109 -3.175 -2.545 1.00 0.00 C ATOM 0 H LEU A 39 7.117 -0.050 -6.008 1.00 0.00 H new ATOM 0 HA LEU A 39 9.657 -1.541 -6.233 1.00 0.00 H new ATOM 0 HB2 LEU A 39 8.410 -0.654 -4.009 1.00 0.00 H new ATOM 0 HB3 LEU A 39 7.544 -2.166 -4.203 1.00 0.00 H new ATOM 0 HG LEU A 39 10.051 -3.109 -4.457 1.00 0.00 H new ATOM 0 HD11 LEU A 39 11.524 -1.974 -2.845 1.00 0.00 H new ATOM 0 HD12 LEU A 39 11.105 -0.916 -4.213 1.00 0.00 H new ATOM 0 HD13 LEU A 39 10.306 -0.693 -2.639 1.00 0.00 H new ATOM 0 HD21 LEU A 39 9.937 -3.699 -2.067 1.00 0.00 H new ATOM 0 HD22 LEU A 39 8.658 -2.484 -1.833 1.00 0.00 H new ATOM 0 HD23 LEU A 39 8.362 -3.899 -2.872 1.00 0.00 H new ATOM 483 N THR A 40 8.718 -3.562 -7.277 1.00 0.00 N ATOM 484 CA THR A 40 8.195 -4.737 -7.965 1.00 0.00 C ATOM 485 C THR A 40 7.961 -5.887 -6.993 1.00 0.00 C ATOM 486 O THR A 40 8.597 -5.970 -5.943 1.00 0.00 O ATOM 487 CB THR A 40 9.161 -5.183 -9.062 1.00 0.00 C ATOM 488 OG1 THR A 40 8.794 -6.454 -9.571 1.00 0.00 O ATOM 489 CG2 THR A 40 10.594 -5.285 -8.598 1.00 0.00 C ATOM 0 H THR A 40 9.730 -3.454 -7.339 1.00 0.00 H new ATOM 0 HA THR A 40 7.240 -4.462 -8.412 1.00 0.00 H new ATOM 0 HB THR A 40 9.094 -4.410 -9.828 1.00 0.00 H new ATOM 0 HG1 THR A 40 9.506 -6.791 -10.154 1.00 0.00 H new ATOM 0 HG21 THR A 40 11.223 -5.606 -9.428 1.00 0.00 H new ATOM 0 HG22 THR A 40 10.932 -4.311 -8.243 1.00 0.00 H new ATOM 0 HG23 THR A 40 10.663 -6.011 -7.788 1.00 0.00 H new ATOM 497 N ILE A 41 7.049 -6.780 -7.362 1.00 0.00 N ATOM 498 CA ILE A 41 6.730 -7.938 -6.539 1.00 0.00 C ATOM 499 C ILE A 41 7.245 -9.217 -7.193 1.00 0.00 C ATOM 500 O ILE A 41 7.270 -9.328 -8.418 1.00 0.00 O ATOM 501 CB ILE A 41 5.210 -8.059 -6.305 1.00 0.00 C ATOM 502 CG1 ILE A 41 4.662 -6.762 -5.706 1.00 0.00 C ATOM 503 CG2 ILE A 41 4.901 -9.240 -5.398 1.00 0.00 C ATOM 504 CD1 ILE A 41 3.161 -6.771 -5.522 1.00 0.00 C ATOM 0 H ILE A 41 6.516 -6.722 -8.230 1.00 0.00 H new ATOM 0 HA ILE A 41 7.221 -7.799 -5.576 1.00 0.00 H new ATOM 0 HB ILE A 41 4.723 -8.231 -7.265 1.00 0.00 H new ATOM 0 HG12 ILE A 41 5.138 -6.587 -4.741 1.00 0.00 H new ATOM 0 HG13 ILE A 41 4.936 -5.928 -6.352 1.00 0.00 H new ATOM 0 HG21 ILE A 41 3.824 -9.309 -5.245 1.00 0.00 H new ATOM 0 HG22 ILE A 41 5.261 -10.159 -5.861 1.00 0.00 H new ATOM 0 HG23 ILE A 41 5.396 -9.100 -4.437 1.00 0.00 H new ATOM 0 HD11 ILE A 41 2.841 -5.821 -5.093 1.00 0.00 H new ATOM 0 HD12 ILE A 41 2.677 -6.915 -6.488 1.00 0.00 H new ATOM 0 HD13 ILE A 41 2.881 -7.584 -4.852 1.00 0.00 H new ATOM 516 N HIS A 42 7.666 -10.176 -6.374 1.00 0.00 N ATOM 517 CA HIS A 42 8.187 -11.438 -6.888 1.00 0.00 C ATOM 518 C HIS A 42 7.653 -12.625 -6.091 1.00 0.00 C ATOM 519 O HIS A 42 7.395 -12.517 -4.892 1.00 0.00 O ATOM 520 CB HIS A 42 9.718 -11.431 -6.849 1.00 0.00 C ATOM 521 CG HIS A 42 10.351 -11.951 -8.101 1.00 0.00 C ATOM 522 ND1 HIS A 42 11.130 -11.172 -8.931 1.00 0.00 N ATOM 523 CD2 HIS A 42 10.321 -13.183 -8.664 1.00 0.00 C ATOM 524 CE1 HIS A 42 11.550 -11.901 -9.950 1.00 0.00 C ATOM 525 NE2 HIS A 42 11.074 -13.125 -9.811 1.00 0.00 N ATOM 0 H HIS A 42 7.657 -10.104 -5.357 1.00 0.00 H new ATOM 0 HA HIS A 42 7.852 -11.543 -7.920 1.00 0.00 H new ATOM 0 HB2 HIS A 42 10.064 -10.413 -6.673 1.00 0.00 H new ATOM 0 HB3 HIS A 42 10.054 -12.033 -6.005 1.00 0.00 H new ATOM 0 HD2 HIS A 42 9.802 -14.049 -8.282 1.00 0.00 H new ATOM 0 HE1 HIS A 42 12.176 -11.555 -10.759 1.00 0.00 H new ATOM 0 HE2 HIS A 42 11.239 -13.901 -10.452 1.00 0.00 H new ATOM 534 N ARG A 43 7.489 -13.759 -6.771 1.00 0.00 N ATOM 535 CA ARG A 43 6.986 -14.977 -6.143 1.00 0.00 C ATOM 536 C ARG A 43 7.653 -15.236 -4.794 1.00 0.00 C ATOM 537 O ARG A 43 8.751 -14.749 -4.525 1.00 0.00 O ATOM 538 CB ARG A 43 7.221 -16.179 -7.064 1.00 0.00 C ATOM 539 CG ARG A 43 5.983 -16.635 -7.821 1.00 0.00 C ATOM 540 CD ARG A 43 4.790 -16.814 -6.896 1.00 0.00 C ATOM 541 NE ARG A 43 4.286 -18.185 -6.910 1.00 0.00 N ATOM 542 CZ ARG A 43 3.536 -18.711 -5.943 1.00 0.00 C ATOM 543 NH1 ARG A 43 3.193 -17.982 -4.889 1.00 0.00 N ATOM 544 NH2 ARG A 43 3.126 -19.969 -6.032 1.00 0.00 N ATOM 0 H ARG A 43 7.699 -13.858 -7.764 1.00 0.00 H new ATOM 0 HA ARG A 43 5.918 -14.840 -5.974 1.00 0.00 H new ATOM 0 HB2 ARG A 43 8.000 -15.925 -7.783 1.00 0.00 H new ATOM 0 HB3 ARG A 43 7.596 -17.011 -6.468 1.00 0.00 H new ATOM 0 HG2 ARG A 43 5.739 -15.904 -8.592 1.00 0.00 H new ATOM 0 HG3 ARG A 43 6.194 -17.576 -8.329 1.00 0.00 H new ATOM 0 HD2 ARG A 43 5.076 -16.543 -5.880 1.00 0.00 H new ATOM 0 HD3 ARG A 43 3.994 -16.132 -7.195 1.00 0.00 H new ATOM 0 HE ARG A 43 4.523 -18.775 -7.708 1.00 0.00 H new ATOM 0 HH11 ARG A 43 3.504 -17.013 -4.816 1.00 0.00 H new ATOM 0 HH12 ARG A 43 2.618 -18.390 -4.152 1.00 0.00 H new ATOM 0 HH21 ARG A 43 3.385 -20.534 -6.841 1.00 0.00 H new ATOM 0 HH22 ARG A 43 2.552 -20.372 -5.292 1.00 0.00 H new ATOM 558 N GLY A 44 6.979 -16.019 -3.959 1.00 0.00 N ATOM 559 CA GLY A 44 7.507 -16.357 -2.648 1.00 0.00 C ATOM 560 C GLY A 44 8.067 -15.161 -1.902 1.00 0.00 C ATOM 561 O GLY A 44 9.169 -15.223 -1.356 1.00 0.00 O ATOM 0 H GLY A 44 6.069 -16.429 -4.168 1.00 0.00 H new ATOM 0 HA2 GLY A 44 6.716 -16.811 -2.051 1.00 0.00 H new ATOM 0 HA3 GLY A 44 8.291 -17.106 -2.761 1.00 0.00 H new ATOM 565 N GLN A 45 7.308 -14.071 -1.873 1.00 0.00 N ATOM 566 CA GLN A 45 7.739 -12.863 -1.182 1.00 0.00 C ATOM 567 C GLN A 45 6.611 -12.297 -0.327 1.00 0.00 C ATOM 568 O GLN A 45 5.631 -11.764 -0.849 1.00 0.00 O ATOM 569 CB GLN A 45 8.212 -11.812 -2.187 1.00 0.00 C ATOM 570 CG GLN A 45 9.230 -10.841 -1.613 1.00 0.00 C ATOM 571 CD GLN A 45 9.926 -10.023 -2.683 1.00 0.00 C ATOM 572 OE1 GLN A 45 9.279 -9.339 -3.476 1.00 0.00 O ATOM 573 NE2 GLN A 45 11.252 -10.090 -2.710 1.00 0.00 N ATOM 0 H GLN A 45 6.393 -14.000 -2.319 1.00 0.00 H new ATOM 0 HA GLN A 45 8.571 -13.126 -0.529 1.00 0.00 H new ATOM 0 HB2 GLN A 45 8.648 -12.316 -3.050 1.00 0.00 H new ATOM 0 HB3 GLN A 45 7.350 -11.251 -2.548 1.00 0.00 H new ATOM 0 HG2 GLN A 45 8.731 -10.169 -0.915 1.00 0.00 H new ATOM 0 HG3 GLN A 45 9.975 -11.397 -1.044 1.00 0.00 H new ATOM 0 HE21 GLN A 45 11.747 -10.670 -2.033 1.00 0.00 H new ATOM 0 HE22 GLN A 45 11.775 -9.561 -3.408 1.00 0.00 H new ATOM 582 N VAL A 46 6.757 -12.411 0.989 1.00 0.00 N ATOM 583 CA VAL A 46 5.749 -11.907 1.912 1.00 0.00 C ATOM 584 C VAL A 46 5.731 -10.381 1.907 1.00 0.00 C ATOM 585 O VAL A 46 6.714 -9.743 1.530 1.00 0.00 O ATOM 586 CB VAL A 46 5.998 -12.416 3.346 1.00 0.00 C ATOM 587 CG1 VAL A 46 4.952 -11.867 4.306 1.00 0.00 C ATOM 588 CG2 VAL A 46 6.008 -13.937 3.376 1.00 0.00 C ATOM 0 H VAL A 46 7.562 -12.847 1.439 1.00 0.00 H new ATOM 0 HA VAL A 46 4.782 -12.279 1.575 1.00 0.00 H new ATOM 0 HB VAL A 46 6.975 -12.058 3.670 1.00 0.00 H new ATOM 0 HG11 VAL A 46 5.149 -12.240 5.311 1.00 0.00 H new ATOM 0 HG12 VAL A 46 4.996 -10.778 4.308 1.00 0.00 H new ATOM 0 HG13 VAL A 46 3.961 -12.189 3.987 1.00 0.00 H new ATOM 0 HG21 VAL A 46 6.185 -14.280 4.395 1.00 0.00 H new ATOM 0 HG22 VAL A 46 5.046 -14.314 3.028 1.00 0.00 H new ATOM 0 HG23 VAL A 46 6.800 -14.309 2.726 1.00 0.00 H new ATOM 598 N VAL A 47 4.610 -9.801 2.323 1.00 0.00 N ATOM 599 CA VAL A 47 4.468 -8.369 2.362 1.00 0.00 C ATOM 600 C VAL A 47 3.522 -7.938 3.480 1.00 0.00 C ATOM 601 O VAL A 47 2.614 -8.678 3.857 1.00 0.00 O ATOM 602 CB VAL A 47 3.952 -7.809 1.019 1.00 0.00 C ATOM 603 CG1 VAL A 47 4.307 -6.340 0.856 1.00 0.00 C ATOM 604 CG2 VAL A 47 4.485 -8.622 -0.152 1.00 0.00 C ATOM 0 H VAL A 47 3.787 -10.314 2.638 1.00 0.00 H new ATOM 0 HA VAL A 47 5.461 -7.963 2.553 1.00 0.00 H new ATOM 0 HB VAL A 47 2.865 -7.891 1.027 1.00 0.00 H new ATOM 0 HG11 VAL A 47 3.929 -5.978 -0.100 1.00 0.00 H new ATOM 0 HG12 VAL A 47 3.857 -5.765 1.665 1.00 0.00 H new ATOM 0 HG13 VAL A 47 5.390 -6.222 0.886 1.00 0.00 H new ATOM 0 HG21 VAL A 47 4.106 -8.206 -1.086 1.00 0.00 H new ATOM 0 HG22 VAL A 47 5.574 -8.586 -0.154 1.00 0.00 H new ATOM 0 HG23 VAL A 47 4.156 -9.657 -0.056 1.00 0.00 H new ATOM 614 N TYR A 48 3.743 -6.738 4.002 1.00 0.00 N ATOM 615 CA TYR A 48 2.914 -6.204 5.075 1.00 0.00 C ATOM 616 C TYR A 48 2.152 -4.969 4.604 1.00 0.00 C ATOM 617 O TYR A 48 2.709 -3.873 4.541 1.00 0.00 O ATOM 618 CB TYR A 48 3.777 -5.853 6.289 1.00 0.00 C ATOM 619 CG TYR A 48 3.846 -6.952 7.324 1.00 0.00 C ATOM 620 CD1 TYR A 48 2.779 -7.194 8.180 1.00 0.00 C ATOM 621 CD2 TYR A 48 4.979 -7.745 7.447 1.00 0.00 C ATOM 622 CE1 TYR A 48 2.840 -8.198 9.129 1.00 0.00 C ATOM 623 CE2 TYR A 48 5.048 -8.751 8.393 1.00 0.00 C ATOM 624 CZ TYR A 48 3.975 -8.973 9.231 1.00 0.00 C ATOM 625 OH TYR A 48 4.039 -9.973 10.174 1.00 0.00 O ATOM 0 H TYR A 48 4.491 -6.115 3.699 1.00 0.00 H new ATOM 0 HA TYR A 48 2.193 -6.970 5.362 1.00 0.00 H new ATOM 0 HB2 TYR A 48 4.787 -5.621 5.951 1.00 0.00 H new ATOM 0 HB3 TYR A 48 3.382 -4.951 6.756 1.00 0.00 H new ATOM 0 HD1 TYR A 48 1.888 -6.589 8.103 1.00 0.00 H new ATOM 0 HD2 TYR A 48 5.821 -7.573 6.793 1.00 0.00 H new ATOM 0 HE1 TYR A 48 2.002 -8.374 9.787 1.00 0.00 H new ATOM 0 HE2 TYR A 48 5.937 -9.359 8.475 1.00 0.00 H new ATOM 0 HH TYR A 48 3.139 -10.324 10.340 1.00 0.00 H new ATOM 635 N VAL A 49 0.879 -5.152 4.273 1.00 0.00 N ATOM 636 CA VAL A 49 0.048 -4.049 3.809 1.00 0.00 C ATOM 637 C VAL A 49 -0.246 -3.076 4.946 1.00 0.00 C ATOM 638 O VAL A 49 -0.857 -3.442 5.949 1.00 0.00 O ATOM 639 CB VAL A 49 -1.281 -4.557 3.215 1.00 0.00 C ATOM 640 CG1 VAL A 49 -2.091 -3.403 2.644 1.00 0.00 C ATOM 641 CG2 VAL A 49 -1.021 -5.611 2.149 1.00 0.00 C ATOM 0 H VAL A 49 0.401 -6.052 4.317 1.00 0.00 H new ATOM 0 HA VAL A 49 0.606 -3.533 3.028 1.00 0.00 H new ATOM 0 HB VAL A 49 -1.861 -5.015 4.016 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -3.025 -3.784 2.230 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -2.310 -2.686 3.435 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -1.519 -2.911 1.857 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -1.970 -5.958 1.741 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -0.419 -5.179 1.350 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -0.487 -6.452 2.591 1.00 0.00 H new ATOM 651 N PHE A 50 0.201 -1.836 4.781 1.00 0.00 N ATOM 652 CA PHE A 50 -0.004 -0.807 5.793 1.00 0.00 C ATOM 653 C PHE A 50 -1.249 0.020 5.488 1.00 0.00 C ATOM 654 O PHE A 50 -1.932 0.489 6.399 1.00 0.00 O ATOM 655 CB PHE A 50 1.222 0.106 5.874 1.00 0.00 C ATOM 656 CG PHE A 50 1.807 0.203 7.254 1.00 0.00 C ATOM 657 CD1 PHE A 50 1.040 0.654 8.316 1.00 0.00 C ATOM 658 CD2 PHE A 50 3.125 -0.155 7.489 1.00 0.00 C ATOM 659 CE1 PHE A 50 1.576 0.745 9.587 1.00 0.00 C ATOM 660 CE2 PHE A 50 3.667 -0.065 8.757 1.00 0.00 C ATOM 661 CZ PHE A 50 2.891 0.385 9.808 1.00 0.00 C ATOM 0 H PHE A 50 0.708 -1.519 3.955 1.00 0.00 H new ATOM 0 HA PHE A 50 -0.147 -1.301 6.754 1.00 0.00 H new ATOM 0 HB2 PHE A 50 1.986 -0.263 5.189 1.00 0.00 H new ATOM 0 HB3 PHE A 50 0.945 1.104 5.534 1.00 0.00 H new ATOM 0 HD1 PHE A 50 0.011 0.938 8.149 1.00 0.00 H new ATOM 0 HD2 PHE A 50 3.736 -0.509 6.671 1.00 0.00 H new ATOM 0 HE1 PHE A 50 0.967 1.097 10.406 1.00 0.00 H new ATOM 0 HE2 PHE A 50 4.696 -0.346 8.926 1.00 0.00 H new ATOM 0 HZ PHE A 50 3.312 0.455 10.800 1.00 0.00 H new ATOM 671 N SER A 51 -1.540 0.197 4.204 1.00 0.00 N ATOM 672 CA SER A 51 -2.703 0.971 3.789 1.00 0.00 C ATOM 673 C SER A 51 -3.218 0.503 2.434 1.00 0.00 C ATOM 674 O SER A 51 -2.470 -0.054 1.631 1.00 0.00 O ATOM 675 CB SER A 51 -2.354 2.459 3.730 1.00 0.00 C ATOM 676 OG SER A 51 -0.957 2.650 3.590 1.00 0.00 O ATOM 0 H SER A 51 -0.988 -0.184 3.435 1.00 0.00 H new ATOM 0 HA SER A 51 -3.491 0.817 4.526 1.00 0.00 H new ATOM 0 HB2 SER A 51 -2.874 2.925 2.893 1.00 0.00 H new ATOM 0 HB3 SER A 51 -2.703 2.954 4.636 1.00 0.00 H new ATOM 0 HG SER A 51 -0.673 3.406 4.145 1.00 0.00 H new ATOM 682 N LYS A 52 -4.502 0.738 2.185 1.00 0.00 N ATOM 683 CA LYS A 52 -5.120 0.344 0.925 1.00 0.00 C ATOM 684 C LYS A 52 -6.013 1.457 0.389 1.00 0.00 C ATOM 685 O LYS A 52 -7.230 1.433 0.573 1.00 0.00 O ATOM 686 CB LYS A 52 -5.937 -0.936 1.111 1.00 0.00 C ATOM 687 CG LYS A 52 -5.223 -2.000 1.929 1.00 0.00 C ATOM 688 CD LYS A 52 -6.077 -3.246 2.089 1.00 0.00 C ATOM 689 CE LYS A 52 -7.191 -3.036 3.103 1.00 0.00 C ATOM 690 NZ LYS A 52 -8.511 -3.481 2.578 1.00 0.00 N ATOM 0 H LYS A 52 -5.134 1.199 2.839 1.00 0.00 H new ATOM 0 HA LYS A 52 -4.326 0.157 0.202 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -6.880 -0.688 1.598 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -6.182 -1.346 0.131 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -4.282 -2.262 1.445 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -4.975 -1.599 2.912 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -6.508 -3.518 1.126 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -5.450 -4.080 2.405 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -6.959 -3.585 4.016 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -7.244 -1.981 3.371 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -9.243 -3.321 3.299 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -8.744 -2.939 1.721 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -8.469 -4.494 2.346 1.00 0.00 H new ATOM 704 N LEU A 53 -5.400 2.432 -0.275 1.00 0.00 N ATOM 705 CA LEU A 53 -6.138 3.554 -0.839 1.00 0.00 C ATOM 706 C LEU A 53 -7.122 3.076 -1.902 1.00 0.00 C ATOM 707 O LEU A 53 -6.729 2.456 -2.889 1.00 0.00 O ATOM 708 CB LEU A 53 -5.173 4.576 -1.443 1.00 0.00 C ATOM 709 CG LEU A 53 -5.798 5.924 -1.803 1.00 0.00 C ATOM 710 CD1 LEU A 53 -4.771 7.039 -1.679 1.00 0.00 C ATOM 711 CD2 LEU A 53 -6.376 5.884 -3.210 1.00 0.00 C ATOM 0 H LEU A 53 -4.393 2.467 -0.435 1.00 0.00 H new ATOM 0 HA LEU A 53 -6.700 4.029 -0.035 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -4.360 4.747 -0.737 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -4.730 4.147 -2.342 1.00 0.00 H new ATOM 0 HG LEU A 53 -6.609 6.125 -1.103 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -5.234 7.991 -1.939 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -4.403 7.083 -0.654 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -3.939 6.844 -2.355 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -6.817 6.852 -3.450 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -5.583 5.660 -3.923 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -7.143 5.112 -3.266 1.00 0.00 H new ATOM 723 N LYS A 54 -8.402 3.367 -1.692 1.00 0.00 N ATOM 724 CA LYS A 54 -9.439 2.963 -2.633 1.00 0.00 C ATOM 725 C LYS A 54 -10.093 4.181 -3.280 1.00 0.00 C ATOM 726 O LYS A 54 -9.639 5.311 -3.099 1.00 0.00 O ATOM 727 CB LYS A 54 -10.498 2.114 -1.927 1.00 0.00 C ATOM 728 CG LYS A 54 -11.342 2.894 -0.933 1.00 0.00 C ATOM 729 CD LYS A 54 -11.454 2.170 0.399 1.00 0.00 C ATOM 730 CE LYS A 54 -12.392 0.976 0.309 1.00 0.00 C ATOM 731 NZ LYS A 54 -13.235 0.839 1.528 1.00 0.00 N ATOM 0 H LYS A 54 -8.745 3.880 -0.880 1.00 0.00 H new ATOM 0 HA LYS A 54 -8.970 2.367 -3.416 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -11.153 1.669 -2.676 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -10.005 1.293 -1.406 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -10.902 3.879 -0.776 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -12.338 3.052 -1.346 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -10.466 1.835 0.716 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -11.816 2.861 1.160 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -13.033 1.083 -0.566 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -11.809 0.066 0.167 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -13.860 0.014 1.427 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -12.624 0.711 2.360 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -13.811 1.696 1.650 1.00 0.00 H new ATOM 745 N GLY A 55 -11.160 3.941 -4.034 1.00 0.00 N ATOM 746 CA GLY A 55 -11.857 5.028 -4.696 1.00 0.00 C ATOM 747 C GLY A 55 -11.125 5.519 -5.929 1.00 0.00 C ATOM 748 O GLY A 55 -11.653 5.455 -7.039 1.00 0.00 O ATOM 0 H GLY A 55 -11.554 3.015 -4.198 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -12.856 4.697 -4.978 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -11.981 5.855 -3.997 1.00 0.00 H new ATOM 752 N ARG A 56 -9.906 6.012 -5.734 1.00 0.00 N ATOM 753 CA ARG A 56 -9.100 6.517 -6.840 1.00 0.00 C ATOM 754 C ARG A 56 -7.798 5.729 -6.989 1.00 0.00 C ATOM 755 O ARG A 56 -6.992 6.017 -7.873 1.00 0.00 O ATOM 756 CB ARG A 56 -8.791 8.002 -6.630 1.00 0.00 C ATOM 757 CG ARG A 56 -9.459 8.913 -7.648 1.00 0.00 C ATOM 758 CD ARG A 56 -8.548 10.061 -8.052 1.00 0.00 C ATOM 759 NE ARG A 56 -9.058 10.780 -9.218 1.00 0.00 N ATOM 760 CZ ARG A 56 -8.310 11.570 -9.986 1.00 0.00 C ATOM 761 NH1 ARG A 56 -7.023 11.747 -9.715 1.00 0.00 N ATOM 762 NH2 ARG A 56 -8.852 12.186 -11.027 1.00 0.00 N ATOM 0 H ARG A 56 -9.455 6.073 -4.821 1.00 0.00 H new ATOM 0 HA ARG A 56 -9.676 6.393 -7.757 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -9.111 8.293 -5.629 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -7.712 8.150 -6.675 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -9.731 8.335 -8.531 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -10.384 9.311 -7.230 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -8.444 10.753 -7.216 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -7.553 9.674 -8.271 1.00 0.00 H new ATOM 0 HE ARG A 56 -10.043 10.670 -9.457 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -6.601 11.277 -8.914 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -6.456 12.353 -10.307 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -9.841 12.055 -11.239 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -8.280 12.791 -11.616 1.00 0.00 H new ATOM 776 N GLY A 57 -7.591 4.736 -6.123 1.00 0.00 N ATOM 777 CA GLY A 57 -6.378 3.941 -6.195 1.00 0.00 C ATOM 778 C GLY A 57 -6.543 2.551 -5.611 1.00 0.00 C ATOM 779 O GLY A 57 -5.564 1.919 -5.217 1.00 0.00 O ATOM 0 H GLY A 57 -8.237 4.471 -5.380 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -6.067 3.857 -7.236 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -5.579 4.459 -5.665 1.00 0.00 H new ATOM 783 N ARG A 58 -7.783 2.071 -5.553 1.00 0.00 N ATOM 784 CA ARG A 58 -8.068 0.747 -5.013 1.00 0.00 C ATOM 785 C ARG A 58 -7.173 -0.311 -5.651 1.00 0.00 C ATOM 786 O ARG A 58 -6.624 -1.174 -4.965 1.00 0.00 O ATOM 787 CB ARG A 58 -9.537 0.392 -5.235 1.00 0.00 C ATOM 788 CG ARG A 58 -10.087 -0.591 -4.215 1.00 0.00 C ATOM 789 CD ARG A 58 -11.509 -1.007 -4.552 1.00 0.00 C ATOM 790 NE ARG A 58 -11.925 -2.192 -3.805 1.00 0.00 N ATOM 791 CZ ARG A 58 -11.568 -3.433 -4.126 1.00 0.00 C ATOM 792 NH1 ARG A 58 -10.787 -3.656 -5.176 1.00 0.00 N ATOM 793 NH2 ARG A 58 -11.992 -4.454 -3.393 1.00 0.00 N ATOM 0 H ARG A 58 -8.606 2.581 -5.874 1.00 0.00 H new ATOM 0 HA ARG A 58 -7.862 0.767 -3.943 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -10.131 1.305 -5.204 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -9.653 -0.030 -6.233 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -9.448 -1.473 -4.177 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -10.065 -0.139 -3.224 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -12.189 -0.184 -4.333 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -11.584 -1.207 -5.621 1.00 0.00 H new ATOM 0 HE ARG A 58 -12.524 -2.060 -2.990 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -10.457 -2.874 -5.742 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -10.517 -4.609 -5.417 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -12.591 -4.287 -2.584 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -11.719 -5.406 -3.638 1.00 0.00 H new ATOM 807 N LEU A 59 -7.035 -0.239 -6.970 1.00 0.00 N ATOM 808 CA LEU A 59 -6.216 -1.184 -7.711 1.00 0.00 C ATOM 809 C LEU A 59 -4.747 -1.108 -7.291 1.00 0.00 C ATOM 810 O LEU A 59 -3.963 -2.005 -7.598 1.00 0.00 O ATOM 811 CB LEU A 59 -6.340 -0.924 -9.214 1.00 0.00 C ATOM 812 CG LEU A 59 -6.333 0.554 -9.617 1.00 0.00 C ATOM 813 CD1 LEU A 59 -5.201 0.839 -10.590 1.00 0.00 C ATOM 814 CD2 LEU A 59 -7.671 0.949 -10.225 1.00 0.00 C ATOM 0 H LEU A 59 -7.484 0.470 -7.549 1.00 0.00 H new ATOM 0 HA LEU A 59 -6.580 -2.186 -7.483 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -5.519 -1.428 -9.724 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -7.264 -1.378 -9.571 1.00 0.00 H new ATOM 0 HG LEU A 59 -6.173 1.152 -8.720 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -5.214 1.894 -10.864 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -4.248 0.597 -10.120 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -5.329 0.230 -11.485 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -7.647 2.002 -10.505 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -7.862 0.342 -11.110 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -8.464 0.786 -9.496 1.00 0.00 H new ATOM 826 N PHE A 60 -4.378 -0.037 -6.593 1.00 0.00 N ATOM 827 CA PHE A 60 -3.008 0.147 -6.142 1.00 0.00 C ATOM 828 C PHE A 60 -2.964 0.333 -4.630 1.00 0.00 C ATOM 829 O PHE A 60 -3.128 1.443 -4.123 1.00 0.00 O ATOM 830 CB PHE A 60 -2.380 1.353 -6.842 1.00 0.00 C ATOM 831 CG PHE A 60 -1.207 0.996 -7.709 1.00 0.00 C ATOM 832 CD1 PHE A 60 -1.319 0.005 -8.670 1.00 0.00 C ATOM 833 CD2 PHE A 60 0.006 1.651 -7.563 1.00 0.00 C ATOM 834 CE1 PHE A 60 -0.242 -0.328 -9.470 1.00 0.00 C ATOM 835 CE2 PHE A 60 1.085 1.322 -8.361 1.00 0.00 C ATOM 836 CZ PHE A 60 0.961 0.331 -9.316 1.00 0.00 C ATOM 0 H PHE A 60 -5.013 0.716 -6.329 1.00 0.00 H new ATOM 0 HA PHE A 60 -2.436 -0.745 -6.397 1.00 0.00 H new ATOM 0 HB2 PHE A 60 -3.138 1.844 -7.453 1.00 0.00 H new ATOM 0 HB3 PHE A 60 -2.060 2.074 -6.090 1.00 0.00 H new ATOM 0 HD1 PHE A 60 -2.258 -0.513 -8.796 1.00 0.00 H new ATOM 0 HD2 PHE A 60 0.109 2.426 -6.818 1.00 0.00 H new ATOM 0 HE1 PHE A 60 -0.342 -1.103 -10.215 1.00 0.00 H new ATOM 0 HE2 PHE A 60 2.025 1.839 -8.238 1.00 0.00 H new ATOM 0 HZ PHE A 60 1.803 0.073 -9.940 1.00 0.00 H new ATOM 846 N TRP A 61 -2.742 -0.764 -3.918 1.00 0.00 N ATOM 847 CA TRP A 61 -2.678 -0.730 -2.459 1.00 0.00 C ATOM 848 C TRP A 61 -1.307 -0.254 -1.991 1.00 0.00 C ATOM 849 O TRP A 61 -0.435 0.035 -2.806 1.00 0.00 O ATOM 850 CB TRP A 61 -2.979 -2.114 -1.877 1.00 0.00 C ATOM 851 CG TRP A 61 -4.436 -2.466 -1.894 1.00 0.00 C ATOM 852 CD1 TRP A 61 -5.443 -1.782 -2.515 1.00 0.00 C ATOM 853 CD2 TRP A 61 -5.053 -3.592 -1.257 1.00 0.00 C ATOM 854 NE1 TRP A 61 -6.642 -2.411 -2.306 1.00 0.00 N ATOM 855 CE2 TRP A 61 -6.431 -3.526 -1.537 1.00 0.00 C ATOM 856 CE3 TRP A 61 -4.573 -4.650 -0.480 1.00 0.00 C ATOM 857 CZ2 TRP A 61 -7.333 -4.476 -1.066 1.00 0.00 C ATOM 858 CZ3 TRP A 61 -5.469 -5.593 -0.014 1.00 0.00 C ATOM 859 CH2 TRP A 61 -6.835 -5.501 -0.308 1.00 0.00 C ATOM 0 H TRP A 61 -2.603 -1.689 -4.325 1.00 0.00 H new ATOM 0 HA TRP A 61 -3.431 -0.027 -2.103 1.00 0.00 H new ATOM 0 HB2 TRP A 61 -2.425 -2.865 -2.441 1.00 0.00 H new ATOM 0 HB3 TRP A 61 -2.616 -2.154 -0.850 1.00 0.00 H new ATOM 0 HD1 TRP A 61 -5.312 -0.876 -3.088 1.00 0.00 H new ATOM 0 HE1 TRP A 61 -7.545 -2.100 -2.664 1.00 0.00 H new ATOM 0 HE3 TRP A 61 -3.521 -4.729 -0.248 1.00 0.00 H new ATOM 0 HZ2 TRP A 61 -8.387 -4.407 -1.291 1.00 0.00 H new ATOM 0 HZ3 TRP A 61 -5.110 -6.415 0.587 1.00 0.00 H new ATOM 0 HH2 TRP A 61 -7.509 -6.254 0.071 1.00 0.00 H new ATOM 870 N GLY A 62 -1.124 -0.174 -0.676 1.00 0.00 N ATOM 871 CA GLY A 62 0.147 0.270 -0.130 1.00 0.00 C ATOM 872 C GLY A 62 0.659 -0.645 0.966 1.00 0.00 C ATOM 873 O GLY A 62 -0.094 -1.036 1.859 1.00 0.00 O ATOM 0 H GLY A 62 -1.832 -0.408 0.020 1.00 0.00 H new ATOM 0 HA2 GLY A 62 0.885 0.321 -0.931 1.00 0.00 H new ATOM 0 HA3 GLY A 62 0.036 1.279 0.266 1.00 0.00 H new ATOM 877 N GLY A 63 1.944 -0.987 0.900 1.00 0.00 N ATOM 878 CA GLY A 63 2.529 -1.859 1.901 1.00 0.00 C ATOM 879 C GLY A 63 4.041 -1.931 1.809 1.00 0.00 C ATOM 880 O GLY A 63 4.688 -0.994 1.339 1.00 0.00 O ATOM 0 H GLY A 63 2.588 -0.676 0.172 1.00 0.00 H new ATOM 0 HA2 GLY A 63 2.247 -1.506 2.893 1.00 0.00 H new ATOM 0 HA3 GLY A 63 2.115 -2.861 1.789 1.00 0.00 H new ATOM 884 N SER A 64 4.604 -3.048 2.258 1.00 0.00 N ATOM 885 CA SER A 64 6.049 -3.250 2.228 1.00 0.00 C ATOM 886 C SER A 64 6.371 -4.736 2.258 1.00 0.00 C ATOM 887 O SER A 64 5.751 -5.494 3.001 1.00 0.00 O ATOM 888 CB SER A 64 6.712 -2.546 3.414 1.00 0.00 C ATOM 889 OG SER A 64 5.905 -1.486 3.895 1.00 0.00 O ATOM 0 H SER A 64 4.079 -3.831 2.649 1.00 0.00 H new ATOM 0 HA SER A 64 6.440 -2.821 1.305 1.00 0.00 H new ATOM 0 HB2 SER A 64 6.889 -3.264 4.214 1.00 0.00 H new ATOM 0 HB3 SER A 64 7.685 -2.158 3.113 1.00 0.00 H new ATOM 0 HG SER A 64 6.475 -0.728 4.144 1.00 0.00 H new ATOM 895 N VAL A 65 7.337 -5.157 1.451 1.00 0.00 N ATOM 896 CA VAL A 65 7.710 -6.542 1.394 1.00 0.00 C ATOM 897 C VAL A 65 8.494 -6.941 2.623 1.00 0.00 C ATOM 898 O VAL A 65 9.234 -6.148 3.207 1.00 0.00 O ATOM 899 CB VAL A 65 8.545 -6.881 0.141 1.00 0.00 C ATOM 900 CG1 VAL A 65 7.720 -7.677 -0.857 1.00 0.00 C ATOM 901 CG2 VAL A 65 9.129 -5.636 -0.516 1.00 0.00 C ATOM 0 H VAL A 65 7.870 -4.548 0.830 1.00 0.00 H new ATOM 0 HA VAL A 65 6.777 -7.103 1.346 1.00 0.00 H new ATOM 0 HB VAL A 65 9.383 -7.495 0.471 1.00 0.00 H new ATOM 0 HG11 VAL A 65 8.328 -7.905 -1.732 1.00 0.00 H new ATOM 0 HG12 VAL A 65 7.387 -8.606 -0.395 1.00 0.00 H new ATOM 0 HG13 VAL A 65 6.852 -7.091 -1.161 1.00 0.00 H new ATOM 0 HG21 VAL A 65 9.708 -5.925 -1.393 1.00 0.00 H new ATOM 0 HG22 VAL A 65 8.320 -4.971 -0.818 1.00 0.00 H new ATOM 0 HG23 VAL A 65 9.777 -5.120 0.193 1.00 0.00 H new ATOM 911 N GLN A 66 8.308 -8.183 2.998 1.00 0.00 N ATOM 912 CA GLN A 66 8.972 -8.755 4.165 1.00 0.00 C ATOM 913 C GLN A 66 10.482 -8.549 4.100 1.00 0.00 C ATOM 914 O GLN A 66 11.085 -8.637 3.030 1.00 0.00 O ATOM 915 CB GLN A 66 8.656 -10.247 4.275 1.00 0.00 C ATOM 916 CG GLN A 66 9.164 -11.062 3.096 1.00 0.00 C ATOM 917 CD GLN A 66 9.817 -12.362 3.524 1.00 0.00 C ATOM 918 OE1 GLN A 66 9.228 -13.025 4.512 1.00 0.00 O flip ATOM 919 NE2 GLN A 66 10.841 -12.767 2.971 1.00 0.00 N flip ATOM 0 H GLN A 66 7.694 -8.834 2.509 1.00 0.00 H new ATOM 0 HA GLN A 66 8.595 -8.240 5.049 1.00 0.00 H new ATOM 0 HB2 GLN A 66 9.096 -10.637 5.193 1.00 0.00 H new ATOM 0 HB3 GLN A 66 7.577 -10.377 4.359 1.00 0.00 H new ATOM 0 HG2 GLN A 66 8.333 -11.281 2.425 1.00 0.00 H new ATOM 0 HG3 GLN A 66 9.882 -10.468 2.531 1.00 0.00 H new ATOM 0 HE21 GLN A 66 11.261 -12.226 2.215 1.00 0.00 H new ATOM 0 HE22 GLN A 66 11.269 -13.644 3.269 1.00 0.00 H new ATOM 928 N GLY A 67 11.085 -8.276 5.252 1.00 0.00 N ATOM 929 CA GLY A 67 12.518 -8.062 5.308 1.00 0.00 C ATOM 930 C GLY A 67 13.151 -8.705 6.526 1.00 0.00 C ATOM 931 O GLY A 67 14.177 -8.237 7.021 1.00 0.00 O ATOM 0 H GLY A 67 10.605 -8.199 6.149 1.00 0.00 H new ATOM 0 HA2 GLY A 67 12.978 -8.466 4.407 1.00 0.00 H new ATOM 0 HA3 GLY A 67 12.723 -6.991 5.318 1.00 0.00 H new ATOM 935 N ASP A 68 12.539 -9.780 7.011 1.00 0.00 N ATOM 936 CA ASP A 68 13.048 -10.490 8.179 1.00 0.00 C ATOM 937 C ASP A 68 14.473 -10.980 7.940 1.00 0.00 C ATOM 938 O ASP A 68 15.346 -10.822 8.793 1.00 0.00 O ATOM 939 CB ASP A 68 12.136 -11.672 8.520 1.00 0.00 C ATOM 940 CG ASP A 68 11.690 -11.658 9.969 1.00 0.00 C ATOM 941 OD1 ASP A 68 10.743 -10.910 10.292 1.00 0.00 O ATOM 942 OD2 ASP A 68 12.287 -12.395 10.782 1.00 0.00 O ATOM 0 H ASP A 68 11.689 -10.179 6.613 1.00 0.00 H new ATOM 0 HA ASP A 68 13.060 -9.796 9.020 1.00 0.00 H new ATOM 0 HB2 ASP A 68 11.259 -11.650 7.873 1.00 0.00 H new ATOM 0 HB3 ASP A 68 12.661 -12.604 8.313 1.00 0.00 H new ATOM 947 N TYR A 69 14.700 -11.575 6.774 1.00 0.00 N ATOM 948 CA TYR A 69 16.019 -12.086 6.421 1.00 0.00 C ATOM 949 C TYR A 69 17.026 -10.948 6.286 1.00 0.00 C ATOM 950 O TYR A 69 16.648 -9.784 6.151 1.00 0.00 O ATOM 951 CB TYR A 69 15.949 -12.881 5.116 1.00 0.00 C ATOM 952 CG TYR A 69 15.841 -14.376 5.322 1.00 0.00 C ATOM 953 CD1 TYR A 69 14.740 -14.931 5.959 1.00 0.00 C ATOM 954 CD2 TYR A 69 16.843 -15.230 4.879 1.00 0.00 C ATOM 955 CE1 TYR A 69 14.638 -16.297 6.148 1.00 0.00 C ATOM 956 CE2 TYR A 69 16.749 -16.597 5.065 1.00 0.00 C ATOM 957 CZ TYR A 69 15.645 -17.124 5.700 1.00 0.00 C ATOM 958 OH TYR A 69 15.548 -18.484 5.887 1.00 0.00 O ATOM 0 H TYR A 69 13.988 -11.715 6.058 1.00 0.00 H new ATOM 0 HA TYR A 69 16.352 -12.746 7.222 1.00 0.00 H new ATOM 0 HB2 TYR A 69 15.090 -12.539 4.538 1.00 0.00 H new ATOM 0 HB3 TYR A 69 16.838 -12.668 4.522 1.00 0.00 H new ATOM 0 HD1 TYR A 69 13.950 -14.285 6.313 1.00 0.00 H new ATOM 0 HD2 TYR A 69 17.709 -14.820 4.381 1.00 0.00 H new ATOM 0 HE1 TYR A 69 13.774 -16.713 6.644 1.00 0.00 H new ATOM 0 HE2 TYR A 69 17.536 -17.248 4.715 1.00 0.00 H new ATOM 0 HH TYR A 69 16.340 -18.923 5.512 1.00 0.00 H new ATOM 968 N TYR A 70 18.309 -11.292 6.322 1.00 0.00 N ATOM 969 CA TYR A 70 19.371 -10.299 6.203 1.00 0.00 C ATOM 970 C TYR A 70 19.296 -9.582 4.859 1.00 0.00 C ATOM 971 O TYR A 70 19.177 -10.216 3.811 1.00 0.00 O ATOM 972 CB TYR A 70 20.739 -10.962 6.367 1.00 0.00 C ATOM 973 CG TYR A 70 21.172 -11.112 7.808 1.00 0.00 C ATOM 974 CD1 TYR A 70 20.691 -12.153 8.593 1.00 0.00 C ATOM 975 CD2 TYR A 70 22.063 -10.214 8.382 1.00 0.00 C ATOM 976 CE1 TYR A 70 21.084 -12.293 9.911 1.00 0.00 C ATOM 977 CE2 TYR A 70 22.461 -10.349 9.699 1.00 0.00 C ATOM 978 CZ TYR A 70 21.969 -11.388 10.458 1.00 0.00 C ATOM 979 OH TYR A 70 22.364 -11.526 11.770 1.00 0.00 O ATOM 0 H TYR A 70 18.639 -12.251 6.433 1.00 0.00 H new ATOM 0 HA TYR A 70 19.237 -9.562 6.995 1.00 0.00 H new ATOM 0 HB2 TYR A 70 20.714 -11.946 5.900 1.00 0.00 H new ATOM 0 HB3 TYR A 70 21.485 -10.374 5.832 1.00 0.00 H new ATOM 0 HD1 TYR A 70 19.999 -12.864 8.167 1.00 0.00 H new ATOM 0 HD2 TYR A 70 22.451 -9.398 7.790 1.00 0.00 H new ATOM 0 HE1 TYR A 70 20.700 -13.106 10.509 1.00 0.00 H new ATOM 0 HE2 TYR A 70 23.155 -9.643 10.131 1.00 0.00 H new ATOM 0 HH TYR A 70 22.990 -10.808 12.000 1.00 0.00 H new ATOM 989 N GLY A 71 19.368 -8.256 4.898 1.00 0.00 N ATOM 990 CA GLY A 71 19.307 -7.473 3.679 1.00 0.00 C ATOM 991 C GLY A 71 19.451 -5.986 3.937 1.00 0.00 C ATOM 992 O GLY A 71 20.552 -5.495 4.181 1.00 0.00 O ATOM 0 H GLY A 71 19.468 -7.709 5.753 1.00 0.00 H new ATOM 0 HA2 GLY A 71 20.096 -7.799 3.002 1.00 0.00 H new ATOM 0 HA3 GLY A 71 18.358 -7.661 3.177 1.00 0.00 H new ATOM 996 N ASP A 72 18.331 -5.265 3.874 1.00 0.00 N ATOM 997 CA ASP A 72 18.322 -3.822 4.096 1.00 0.00 C ATOM 998 C ASP A 72 18.800 -3.091 2.852 1.00 0.00 C ATOM 999 O ASP A 72 19.748 -2.305 2.897 1.00 0.00 O ATOM 1000 CB ASP A 72 19.186 -3.440 5.304 1.00 0.00 C ATOM 1001 CG ASP A 72 18.995 -4.384 6.476 1.00 0.00 C ATOM 1002 OD1 ASP A 72 18.061 -4.158 7.274 1.00 0.00 O ATOM 1003 OD2 ASP A 72 19.779 -5.349 6.596 1.00 0.00 O ATOM 0 H ASP A 72 17.414 -5.662 3.670 1.00 0.00 H new ATOM 0 HA ASP A 72 17.296 -3.522 4.308 1.00 0.00 H new ATOM 0 HB2 ASP A 72 20.236 -3.438 5.010 1.00 0.00 H new ATOM 0 HB3 ASP A 72 18.941 -2.425 5.616 1.00 0.00 H new ATOM 1008 N LEU A 73 18.131 -3.364 1.743 1.00 0.00 N ATOM 1009 CA LEU A 73 18.469 -2.743 0.468 1.00 0.00 C ATOM 1010 C LEU A 73 17.267 -2.005 -0.114 1.00 0.00 C ATOM 1011 O LEU A 73 16.405 -2.609 -0.755 1.00 0.00 O ATOM 1012 CB LEU A 73 18.968 -3.800 -0.522 1.00 0.00 C ATOM 1013 CG LEU A 73 20.463 -3.735 -0.838 1.00 0.00 C ATOM 1014 CD1 LEU A 73 20.926 -5.023 -1.500 1.00 0.00 C ATOM 1015 CD2 LEU A 73 20.766 -2.537 -1.727 1.00 0.00 C ATOM 0 H LEU A 73 17.347 -4.015 1.698 1.00 0.00 H new ATOM 0 HA LEU A 73 19.264 -2.018 0.644 1.00 0.00 H new ATOM 0 HB2 LEU A 73 18.739 -4.788 -0.122 1.00 0.00 H new ATOM 0 HB3 LEU A 73 18.410 -3.696 -1.453 1.00 0.00 H new ATOM 0 HG LEU A 73 21.009 -3.617 0.098 1.00 0.00 H new ATOM 0 HD11 LEU A 73 21.992 -4.958 -1.717 1.00 0.00 H new ATOM 0 HD12 LEU A 73 20.743 -5.863 -0.830 1.00 0.00 H new ATOM 0 HD13 LEU A 73 20.375 -5.173 -2.428 1.00 0.00 H new ATOM 0 HD21 LEU A 73 21.834 -2.505 -1.943 1.00 0.00 H new ATOM 0 HD22 LEU A 73 20.210 -2.626 -2.660 1.00 0.00 H new ATOM 0 HD23 LEU A 73 20.471 -1.621 -1.216 1.00 0.00 H new ATOM 1027 N ALA A 74 17.216 -0.696 0.113 1.00 0.00 N ATOM 1028 CA ALA A 74 16.119 0.124 -0.388 1.00 0.00 C ATOM 1029 C ALA A 74 14.778 -0.361 0.151 1.00 0.00 C ATOM 1030 O ALA A 74 13.990 -0.972 -0.571 1.00 0.00 O ATOM 1031 CB ALA A 74 16.112 0.120 -1.910 1.00 0.00 C ATOM 0 H ALA A 74 17.921 -0.181 0.640 1.00 0.00 H new ATOM 0 HA ALA A 74 16.272 1.145 -0.038 1.00 0.00 H new ATOM 0 HB1 ALA A 74 15.288 0.736 -2.272 1.00 0.00 H new ATOM 0 HB2 ALA A 74 17.055 0.522 -2.279 1.00 0.00 H new ATOM 0 HB3 ALA A 74 15.987 -0.901 -2.271 1.00 0.00 H new ATOM 1037 N ALA A 75 14.524 -0.083 1.426 1.00 0.00 N ATOM 1038 CA ALA A 75 13.278 -0.491 2.062 1.00 0.00 C ATOM 1039 C ALA A 75 12.357 0.705 2.280 1.00 0.00 C ATOM 1040 O ALA A 75 12.698 1.640 3.003 1.00 0.00 O ATOM 1041 CB ALA A 75 13.565 -1.186 3.385 1.00 0.00 C ATOM 0 H ALA A 75 15.164 0.423 2.038 1.00 0.00 H new ATOM 0 HA ALA A 75 12.771 -1.191 1.398 1.00 0.00 H new ATOM 0 HB1 ALA A 75 12.626 -1.486 3.850 1.00 0.00 H new ATOM 0 HB2 ALA A 75 14.179 -2.068 3.207 1.00 0.00 H new ATOM 0 HB3 ALA A 75 14.096 -0.502 4.048 1.00 0.00 H new ATOM 1047 N ARG A 76 11.187 0.666 1.649 1.00 0.00 N ATOM 1048 CA ARG A 76 10.215 1.746 1.773 1.00 0.00 C ATOM 1049 C ARG A 76 8.825 1.275 1.358 1.00 0.00 C ATOM 1050 O ARG A 76 8.686 0.385 0.519 1.00 0.00 O ATOM 1051 CB ARG A 76 10.640 2.942 0.917 1.00 0.00 C ATOM 1052 CG ARG A 76 11.413 3.999 1.691 1.00 0.00 C ATOM 1053 CD ARG A 76 10.645 5.311 1.778 1.00 0.00 C ATOM 1054 NE ARG A 76 11.365 6.409 1.136 1.00 0.00 N ATOM 1055 CZ ARG A 76 11.425 6.587 -0.182 1.00 0.00 C ATOM 1056 NH1 ARG A 76 10.811 5.743 -1.001 1.00 0.00 N ATOM 1057 NH2 ARG A 76 12.101 7.612 -0.681 1.00 0.00 N ATOM 0 H ARG A 76 10.890 -0.102 1.047 1.00 0.00 H new ATOM 0 HA ARG A 76 10.178 2.052 2.818 1.00 0.00 H new ATOM 0 HB2 ARG A 76 11.255 2.586 0.090 1.00 0.00 H new ATOM 0 HB3 ARG A 76 9.752 3.400 0.480 1.00 0.00 H new ATOM 0 HG2 ARG A 76 11.622 3.633 2.696 1.00 0.00 H new ATOM 0 HG3 ARG A 76 12.375 4.172 1.208 1.00 0.00 H new ATOM 0 HD2 ARG A 76 9.669 5.192 1.307 1.00 0.00 H new ATOM 0 HD3 ARG A 76 10.466 5.558 2.824 1.00 0.00 H new ATOM 0 HE ARG A 76 11.850 7.079 1.733 1.00 0.00 H new ATOM 0 HH11 ARG A 76 10.289 4.953 -0.622 1.00 0.00 H new ATOM 0 HH12 ARG A 76 10.860 5.884 -2.010 1.00 0.00 H new ATOM 0 HH21 ARG A 76 12.575 8.264 -0.055 1.00 0.00 H new ATOM 0 HH22 ARG A 76 12.148 7.749 -1.691 1.00 0.00 H new ATOM 1071 N LEU A 77 7.800 1.877 1.953 1.00 0.00 N ATOM 1072 CA LEU A 77 6.420 1.517 1.644 1.00 0.00 C ATOM 1073 C LEU A 77 6.088 1.825 0.188 1.00 0.00 C ATOM 1074 O LEU A 77 6.137 2.979 -0.239 1.00 0.00 O ATOM 1075 CB LEU A 77 5.456 2.265 2.566 1.00 0.00 C ATOM 1076 CG LEU A 77 4.079 1.617 2.727 1.00 0.00 C ATOM 1077 CD1 LEU A 77 4.059 0.691 3.935 1.00 0.00 C ATOM 1078 CD2 LEU A 77 3.000 2.685 2.854 1.00 0.00 C ATOM 0 H LEU A 77 7.898 2.615 2.650 1.00 0.00 H new ATOM 0 HA LEU A 77 6.308 0.445 1.804 1.00 0.00 H new ATOM 0 HB2 LEU A 77 5.915 2.355 3.550 1.00 0.00 H new ATOM 0 HB3 LEU A 77 5.322 3.277 2.183 1.00 0.00 H new ATOM 0 HG LEU A 77 3.873 1.022 1.837 1.00 0.00 H new ATOM 0 HD11 LEU A 77 3.071 0.240 4.032 1.00 0.00 H new ATOM 0 HD12 LEU A 77 4.804 -0.093 3.804 1.00 0.00 H new ATOM 0 HD13 LEU A 77 4.287 1.262 4.835 1.00 0.00 H new ATOM 0 HD21 LEU A 77 2.027 2.207 2.968 1.00 0.00 H new ATOM 0 HD22 LEU A 77 3.204 3.306 3.726 1.00 0.00 H new ATOM 0 HD23 LEU A 77 2.996 3.307 1.959 1.00 0.00 H new ATOM 1090 N GLY A 78 5.747 0.787 -0.567 1.00 0.00 N ATOM 1091 CA GLY A 78 5.408 0.966 -1.965 1.00 0.00 C ATOM 1092 C GLY A 78 3.933 0.738 -2.233 1.00 0.00 C ATOM 1093 O GLY A 78 3.205 0.265 -1.361 1.00 0.00 O ATOM 0 H GLY A 78 5.699 -0.176 -0.235 1.00 0.00 H new ATOM 0 HA2 GLY A 78 5.680 1.975 -2.276 1.00 0.00 H new ATOM 0 HA3 GLY A 78 5.996 0.276 -2.570 1.00 0.00 H new ATOM 1097 N TYR A 79 3.492 1.073 -3.441 1.00 0.00 N ATOM 1098 CA TYR A 79 2.094 0.900 -3.815 1.00 0.00 C ATOM 1099 C TYR A 79 1.941 -0.217 -4.843 1.00 0.00 C ATOM 1100 O TYR A 79 2.631 -0.229 -5.863 1.00 0.00 O ATOM 1101 CB TYR A 79 1.526 2.205 -4.373 1.00 0.00 C ATOM 1102 CG TYR A 79 1.146 3.206 -3.305 1.00 0.00 C ATOM 1103 CD1 TYR A 79 -0.047 3.083 -2.605 1.00 0.00 C ATOM 1104 CD2 TYR A 79 1.980 4.274 -2.999 1.00 0.00 C ATOM 1105 CE1 TYR A 79 -0.399 3.996 -1.629 1.00 0.00 C ATOM 1106 CE2 TYR A 79 1.636 5.191 -2.024 1.00 0.00 C ATOM 1107 CZ TYR A 79 0.446 5.048 -1.342 1.00 0.00 C ATOM 1108 OH TYR A 79 0.100 5.959 -0.370 1.00 0.00 O ATOM 0 H TYR A 79 4.081 1.465 -4.176 1.00 0.00 H new ATOM 0 HA TYR A 79 1.536 0.625 -2.920 1.00 0.00 H new ATOM 0 HB2 TYR A 79 2.262 2.657 -5.037 1.00 0.00 H new ATOM 0 HB3 TYR A 79 0.647 1.980 -4.977 1.00 0.00 H new ATOM 0 HD1 TYR A 79 -0.711 2.260 -2.827 1.00 0.00 H new ATOM 0 HD2 TYR A 79 2.912 4.390 -3.532 1.00 0.00 H new ATOM 0 HE1 TYR A 79 -1.331 3.886 -1.094 1.00 0.00 H new ATOM 0 HE2 TYR A 79 2.296 6.015 -1.797 1.00 0.00 H new ATOM 0 HH TYR A 79 0.714 6.722 -0.403 1.00 0.00 H new ATOM 1118 N PHE A 80 1.041 -1.158 -4.569 1.00 0.00 N ATOM 1119 CA PHE A 80 0.814 -2.274 -5.475 1.00 0.00 C ATOM 1120 C PHE A 80 -0.552 -2.917 -5.243 1.00 0.00 C ATOM 1121 O PHE A 80 -1.027 -2.996 -4.112 1.00 0.00 O ATOM 1122 CB PHE A 80 1.913 -3.323 -5.299 1.00 0.00 C ATOM 1123 CG PHE A 80 1.915 -3.948 -3.934 1.00 0.00 C ATOM 1124 CD1 PHE A 80 2.570 -3.334 -2.878 1.00 0.00 C ATOM 1125 CD2 PHE A 80 1.253 -5.143 -3.703 1.00 0.00 C ATOM 1126 CE1 PHE A 80 2.566 -3.903 -1.618 1.00 0.00 C ATOM 1127 CE2 PHE A 80 1.244 -5.715 -2.446 1.00 0.00 C ATOM 1128 CZ PHE A 80 1.902 -5.095 -1.402 1.00 0.00 C ATOM 0 H PHE A 80 0.461 -1.168 -3.730 1.00 0.00 H new ATOM 0 HA PHE A 80 0.837 -1.885 -6.493 1.00 0.00 H new ATOM 0 HB2 PHE A 80 1.786 -4.103 -6.049 1.00 0.00 H new ATOM 0 HB3 PHE A 80 2.882 -2.860 -5.482 1.00 0.00 H new ATOM 0 HD1 PHE A 80 3.089 -2.401 -3.041 1.00 0.00 H new ATOM 0 HD2 PHE A 80 0.738 -5.633 -4.516 1.00 0.00 H new ATOM 0 HE1 PHE A 80 3.081 -3.416 -0.803 1.00 0.00 H new ATOM 0 HE2 PHE A 80 0.723 -6.646 -2.280 1.00 0.00 H new ATOM 0 HZ PHE A 80 1.897 -5.541 -0.419 1.00 0.00 H new ATOM 1138 N PRO A 81 -1.193 -3.397 -6.322 1.00 0.00 N ATOM 1139 CA PRO A 81 -2.502 -4.051 -6.242 1.00 0.00 C ATOM 1140 C PRO A 81 -2.503 -5.218 -5.258 1.00 0.00 C ATOM 1141 O PRO A 81 -1.446 -5.693 -4.845 1.00 0.00 O ATOM 1142 CB PRO A 81 -2.744 -4.564 -7.666 1.00 0.00 C ATOM 1143 CG PRO A 81 -1.862 -3.740 -8.539 1.00 0.00 C ATOM 1144 CD PRO A 81 -0.678 -3.348 -7.700 1.00 0.00 C ATOM 0 HA PRO A 81 -3.272 -3.367 -5.887 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -2.500 -5.623 -7.749 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -3.791 -4.455 -7.950 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -1.546 -4.305 -9.416 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -2.390 -2.858 -8.902 1.00 0.00 H new ATOM 0 HD2 PRO A 81 0.157 -4.035 -7.840 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -0.317 -2.352 -7.957 1.00 0.00 H new ATOM 1152 N SER A 82 -3.694 -5.676 -4.890 1.00 0.00 N ATOM 1153 CA SER A 82 -3.829 -6.789 -3.956 1.00 0.00 C ATOM 1154 C SER A 82 -3.909 -8.120 -4.699 1.00 0.00 C ATOM 1155 O SER A 82 -3.535 -9.164 -4.163 1.00 0.00 O ATOM 1156 CB SER A 82 -5.073 -6.602 -3.086 1.00 0.00 C ATOM 1157 OG SER A 82 -6.251 -6.922 -3.806 1.00 0.00 O ATOM 0 H SER A 82 -4.579 -5.295 -5.223 1.00 0.00 H new ATOM 0 HA SER A 82 -2.945 -6.804 -3.318 1.00 0.00 H new ATOM 0 HB2 SER A 82 -5.000 -7.235 -2.201 1.00 0.00 H new ATOM 0 HB3 SER A 82 -5.125 -5.571 -2.737 1.00 0.00 H new ATOM 0 HG SER A 82 -7.032 -6.796 -3.228 1.00 0.00 H new ATOM 1163 N SER A 83 -4.407 -8.077 -5.931 1.00 0.00 N ATOM 1164 CA SER A 83 -4.547 -9.277 -6.748 1.00 0.00 C ATOM 1165 C SER A 83 -3.239 -10.063 -6.820 1.00 0.00 C ATOM 1166 O SER A 83 -3.189 -11.238 -6.455 1.00 0.00 O ATOM 1167 CB SER A 83 -5.005 -8.904 -8.160 1.00 0.00 C ATOM 1168 OG SER A 83 -4.075 -8.037 -8.786 1.00 0.00 O ATOM 0 H SER A 83 -4.721 -7.220 -6.387 1.00 0.00 H new ATOM 0 HA SER A 83 -5.298 -9.912 -6.277 1.00 0.00 H new ATOM 0 HB2 SER A 83 -5.124 -9.808 -8.758 1.00 0.00 H new ATOM 0 HB3 SER A 83 -5.982 -8.422 -8.113 1.00 0.00 H new ATOM 0 HG SER A 83 -4.390 -7.815 -9.687 1.00 0.00 H new ATOM 1174 N ILE A 84 -2.184 -9.409 -7.299 1.00 0.00 N ATOM 1175 CA ILE A 84 -0.880 -10.041 -7.429 1.00 0.00 C ATOM 1176 C ILE A 84 -0.450 -10.725 -6.134 1.00 0.00 C ATOM 1177 O ILE A 84 0.194 -11.773 -6.159 1.00 0.00 O ATOM 1178 CB ILE A 84 0.189 -9.011 -7.834 1.00 0.00 C ATOM 1179 CG1 ILE A 84 -0.299 -8.165 -9.014 1.00 0.00 C ATOM 1180 CG2 ILE A 84 1.484 -9.717 -8.184 1.00 0.00 C ATOM 1181 CD1 ILE A 84 -0.386 -6.687 -8.701 1.00 0.00 C ATOM 0 H ILE A 84 -2.210 -8.436 -7.604 1.00 0.00 H new ATOM 0 HA ILE A 84 -0.973 -10.798 -8.208 1.00 0.00 H new ATOM 0 HB ILE A 84 0.371 -8.345 -6.991 1.00 0.00 H new ATOM 0 HG12 ILE A 84 0.375 -8.311 -9.858 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -1.281 -8.521 -9.325 1.00 0.00 H new ATOM 0 HG21 ILE A 84 2.235 -8.980 -8.469 1.00 0.00 H new ATOM 0 HG22 ILE A 84 1.837 -10.279 -7.319 1.00 0.00 H new ATOM 0 HG23 ILE A 84 1.312 -10.401 -9.015 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -0.738 -6.149 -9.581 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -1.082 -6.530 -7.877 1.00 0.00 H new ATOM 0 HD13 ILE A 84 0.599 -6.316 -8.419 1.00 0.00 H new ATOM 1193 N VAL A 85 -0.812 -10.127 -5.006 1.00 0.00 N ATOM 1194 CA VAL A 85 -0.463 -10.681 -3.701 1.00 0.00 C ATOM 1195 C VAL A 85 -1.630 -11.468 -3.112 1.00 0.00 C ATOM 1196 O VAL A 85 -2.733 -11.467 -3.659 1.00 0.00 O ATOM 1197 CB VAL A 85 -0.059 -9.573 -2.712 1.00 0.00 C ATOM 1198 CG1 VAL A 85 1.234 -8.906 -3.157 1.00 0.00 C ATOM 1199 CG2 VAL A 85 -1.175 -8.549 -2.571 1.00 0.00 C ATOM 0 H VAL A 85 -1.347 -9.259 -4.967 1.00 0.00 H new ATOM 0 HA VAL A 85 0.385 -11.348 -3.855 1.00 0.00 H new ATOM 0 HB VAL A 85 0.111 -10.027 -1.736 1.00 0.00 H new ATOM 0 HG11 VAL A 85 1.504 -8.125 -2.446 1.00 0.00 H new ATOM 0 HG12 VAL A 85 2.030 -9.649 -3.200 1.00 0.00 H new ATOM 0 HG13 VAL A 85 1.095 -8.465 -4.144 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -0.871 -7.774 -1.868 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -1.380 -8.098 -3.542 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -2.075 -9.040 -2.202 1.00 0.00 H new ATOM 1209 N ARG A 86 -1.378 -12.137 -1.993 1.00 0.00 N ATOM 1210 CA ARG A 86 -2.403 -12.928 -1.323 1.00 0.00 C ATOM 1211 C ARG A 86 -2.329 -12.733 0.187 1.00 0.00 C ATOM 1212 O ARG A 86 -1.414 -13.230 0.844 1.00 0.00 O ATOM 1213 CB ARG A 86 -2.244 -14.410 -1.670 1.00 0.00 C ATOM 1214 CG ARG A 86 -3.559 -15.105 -1.982 1.00 0.00 C ATOM 1215 CD ARG A 86 -3.542 -16.559 -1.537 1.00 0.00 C ATOM 1216 NE ARG A 86 -4.096 -17.449 -2.554 1.00 0.00 N ATOM 1217 CZ ARG A 86 -5.400 -17.606 -2.772 1.00 0.00 C ATOM 1218 NH1 ARG A 86 -6.286 -16.933 -2.048 1.00 0.00 N ATOM 1219 NH2 ARG A 86 -5.819 -18.436 -3.718 1.00 0.00 N ATOM 0 H ARG A 86 -0.470 -12.147 -1.529 1.00 0.00 H new ATOM 0 HA ARG A 86 -3.379 -12.588 -1.670 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -1.580 -14.504 -2.529 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -1.762 -14.920 -0.836 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -4.375 -14.581 -1.485 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -3.753 -15.054 -3.053 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -2.518 -16.858 -1.313 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -4.113 -16.663 -0.615 1.00 0.00 H new ATOM 0 HE ARG A 86 -3.445 -17.982 -3.131 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -5.969 -16.292 -1.321 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -7.284 -17.057 -2.219 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -5.142 -18.954 -4.278 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -6.818 -18.556 -3.885 1.00 0.00 H new ATOM 1233 N GLU A 87 -3.295 -12.002 0.731 1.00 0.00 N ATOM 1234 CA GLU A 87 -3.336 -11.735 2.163 1.00 0.00 C ATOM 1235 C GLU A 87 -3.779 -12.968 2.943 1.00 0.00 C ATOM 1236 O GLU A 87 -4.819 -13.559 2.655 1.00 0.00 O ATOM 1237 CB GLU A 87 -4.280 -10.567 2.457 1.00 0.00 C ATOM 1238 CG GLU A 87 -4.299 -10.156 3.921 1.00 0.00 C ATOM 1239 CD GLU A 87 -5.705 -10.020 4.470 1.00 0.00 C ATOM 1240 OE1 GLU A 87 -6.445 -11.027 4.467 1.00 0.00 O ATOM 1241 OE2 GLU A 87 -6.068 -8.907 4.905 1.00 0.00 O ATOM 0 H GLU A 87 -4.060 -11.584 0.202 1.00 0.00 H new ATOM 0 HA GLU A 87 -2.328 -11.473 2.483 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -3.985 -9.710 1.851 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -5.290 -10.841 2.152 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -3.753 -10.894 4.509 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -3.775 -9.207 4.035 1.00 0.00 H new ATOM 1248 N ASP A 88 -2.982 -13.343 3.938 1.00 0.00 N ATOM 1249 CA ASP A 88 -3.288 -14.498 4.770 1.00 0.00 C ATOM 1250 C ASP A 88 -3.453 -14.082 6.223 1.00 0.00 C ATOM 1251 O ASP A 88 -4.422 -14.452 6.886 1.00 0.00 O ATOM 1252 CB ASP A 88 -2.185 -15.552 4.647 1.00 0.00 C ATOM 1253 CG ASP A 88 -2.735 -16.965 4.610 1.00 0.00 C ATOM 1254 OD1 ASP A 88 -3.800 -17.170 3.990 1.00 0.00 O ATOM 1255 OD2 ASP A 88 -2.101 -17.864 5.202 1.00 0.00 O ATOM 0 H ASP A 88 -2.118 -12.862 4.187 1.00 0.00 H new ATOM 0 HA ASP A 88 -4.227 -14.930 4.423 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -1.608 -15.366 3.741 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -1.498 -15.455 5.488 1.00 0.00 H new ATOM 1260 N GLN A 89 -2.498 -13.308 6.704 1.00 0.00 N ATOM 1261 CA GLN A 89 -2.509 -12.822 8.068 1.00 0.00 C ATOM 1262 C GLN A 89 -3.015 -11.387 8.117 1.00 0.00 C ATOM 1263 O GLN A 89 -2.878 -10.642 7.147 1.00 0.00 O ATOM 1264 CB GLN A 89 -1.096 -12.898 8.623 1.00 0.00 C ATOM 1265 CG GLN A 89 -1.021 -12.786 10.138 1.00 0.00 C ATOM 1266 CD GLN A 89 -0.250 -13.929 10.769 1.00 0.00 C ATOM 1267 OE1 GLN A 89 -0.819 -14.766 11.470 1.00 0.00 O ATOM 1268 NE2 GLN A 89 1.056 -13.968 10.524 1.00 0.00 N ATOM 0 H GLN A 89 -1.693 -12.999 6.159 1.00 0.00 H new ATOM 0 HA GLN A 89 -3.177 -13.438 8.670 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -0.646 -13.842 8.316 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -0.499 -12.101 8.180 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -0.548 -11.841 10.406 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -2.031 -12.764 10.548 1.00 0.00 H new ATOM 0 HE21 GLN A 89 1.486 -13.253 9.937 1.00 0.00 H new ATOM 0 HE22 GLN A 89 1.628 -14.713 10.923 1.00 0.00 H new ATOM 1277 N THR A 90 -3.600 -10.998 9.242 1.00 0.00 N ATOM 1278 CA THR A 90 -4.120 -9.645 9.391 1.00 0.00 C ATOM 1279 C THR A 90 -3.802 -9.067 10.761 1.00 0.00 C ATOM 1280 O THR A 90 -3.699 -9.792 11.750 1.00 0.00 O ATOM 1281 CB THR A 90 -5.624 -9.606 9.153 1.00 0.00 C ATOM 1282 OG1 THR A 90 -6.257 -10.737 9.724 1.00 0.00 O ATOM 1283 CG2 THR A 90 -5.998 -9.553 7.689 1.00 0.00 C ATOM 0 H THR A 90 -3.726 -11.595 10.059 1.00 0.00 H new ATOM 0 HA THR A 90 -3.626 -9.032 8.637 1.00 0.00 H new ATOM 0 HB THR A 90 -5.965 -8.687 9.629 1.00 0.00 H new ATOM 0 HG1 THR A 90 -7.222 -10.689 9.560 1.00 0.00 H new ATOM 0 HG21 THR A 90 -7.083 -9.527 7.591 1.00 0.00 H new ATOM 0 HG22 THR A 90 -5.572 -8.658 7.237 1.00 0.00 H new ATOM 0 HG23 THR A 90 -5.609 -10.436 7.182 1.00 0.00 H new ATOM 1291 N LEU A 91 -3.649 -7.750 10.803 1.00 0.00 N ATOM 1292 CA LEU A 91 -3.342 -7.049 12.041 1.00 0.00 C ATOM 1293 C LEU A 91 -3.848 -5.610 11.988 1.00 0.00 C ATOM 1294 O LEU A 91 -3.203 -4.699 12.504 1.00 0.00 O ATOM 1295 CB LEU A 91 -1.834 -7.064 12.296 1.00 0.00 C ATOM 1296 CG LEU A 91 -1.425 -7.162 13.766 1.00 0.00 C ATOM 1297 CD1 LEU A 91 0.046 -7.523 13.888 1.00 0.00 C ATOM 1298 CD2 LEU A 91 -1.717 -5.853 14.487 1.00 0.00 C ATOM 0 H LEU A 91 -3.733 -7.143 9.988 1.00 0.00 H new ATOM 0 HA LEU A 91 -3.847 -7.563 12.859 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -1.399 -7.905 11.757 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -1.401 -6.157 11.874 1.00 0.00 H new ATOM 0 HG LEU A 91 -2.011 -7.952 14.235 1.00 0.00 H new ATOM 0 HD11 LEU A 91 0.319 -7.588 14.941 1.00 0.00 H new ATOM 0 HD12 LEU A 91 0.226 -8.484 13.407 1.00 0.00 H new ATOM 0 HD13 LEU A 91 0.650 -6.756 13.404 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -1.420 -5.939 15.532 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -1.157 -5.045 14.016 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -2.784 -5.636 14.429 1.00 0.00 H new ATOM 1310 N LYS A 92 -5.001 -5.413 11.355 1.00 0.00 N ATOM 1311 CA LYS A 92 -5.590 -4.081 11.231 1.00 0.00 C ATOM 1312 C LYS A 92 -6.442 -3.739 12.455 1.00 0.00 C ATOM 1313 O LYS A 92 -7.528 -4.290 12.634 1.00 0.00 O ATOM 1314 CB LYS A 92 -6.445 -3.995 9.961 1.00 0.00 C ATOM 1315 CG LYS A 92 -7.303 -2.740 9.876 1.00 0.00 C ATOM 1316 CD LYS A 92 -8.202 -2.760 8.650 1.00 0.00 C ATOM 1317 CE LYS A 92 -9.611 -3.208 8.998 1.00 0.00 C ATOM 1318 NZ LYS A 92 -10.546 -3.045 7.851 1.00 0.00 N ATOM 0 H LYS A 92 -5.546 -6.157 10.920 1.00 0.00 H new ATOM 0 HA LYS A 92 -4.776 -3.359 11.166 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -5.790 -4.034 9.091 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -7.093 -4.870 9.912 1.00 0.00 H new ATOM 0 HG2 LYS A 92 -7.914 -2.654 10.775 1.00 0.00 H new ATOM 0 HG3 LYS A 92 -6.660 -1.860 9.842 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -8.235 -1.765 8.206 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -7.781 -3.430 7.900 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -9.594 -4.253 9.306 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -9.976 -2.631 9.848 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -11.383 -2.510 8.159 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 -10.068 -2.529 7.084 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 -10.840 -3.981 7.507 1.00 0.00 H new ATOM 1332 N PRO A 93 -5.969 -2.814 13.312 1.00 0.00 N ATOM 1333 CA PRO A 93 -6.704 -2.401 14.508 1.00 0.00 C ATOM 1334 C PRO A 93 -7.797 -1.389 14.181 1.00 0.00 C ATOM 1335 O PRO A 93 -8.885 -1.424 14.757 1.00 0.00 O ATOM 1336 CB PRO A 93 -5.620 -1.759 15.367 1.00 0.00 C ATOM 1337 CG PRO A 93 -4.665 -1.177 14.382 1.00 0.00 C ATOM 1338 CD PRO A 93 -4.686 -2.091 13.182 1.00 0.00 C ATOM 0 HA PRO A 93 -7.218 -3.231 14.993 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -6.034 -0.991 16.021 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -5.132 -2.494 16.007 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -4.960 -0.165 14.105 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -3.662 -1.112 14.804 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -4.636 -1.528 12.250 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -3.838 -2.776 13.186 1.00 0.00 H new ATOM 1346 N GLY A 94 -7.496 -0.490 13.249 1.00 0.00 N ATOM 1347 CA GLY A 94 -8.457 0.523 12.849 1.00 0.00 C ATOM 1348 C GLY A 94 -8.753 0.482 11.362 1.00 0.00 C ATOM 1349 O GLY A 94 -8.038 -0.170 10.600 1.00 0.00 O ATOM 0 H GLY A 94 -6.601 -0.445 12.762 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -9.383 0.381 13.405 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -8.074 1.509 13.114 1.00 0.00 H new ATOM 1353 N LYS A 95 -9.801 1.183 10.946 1.00 0.00 N ATOM 1354 CA LYS A 95 -10.180 1.230 9.549 1.00 0.00 C ATOM 1355 C LYS A 95 -10.874 2.547 9.221 1.00 0.00 C ATOM 1356 O LYS A 95 -11.947 2.564 8.617 1.00 0.00 O ATOM 1357 CB LYS A 95 -11.086 0.049 9.195 1.00 0.00 C ATOM 1358 CG LYS A 95 -12.151 -0.239 10.242 1.00 0.00 C ATOM 1359 CD LYS A 95 -13.463 -0.663 9.603 1.00 0.00 C ATOM 1360 CE LYS A 95 -14.538 -0.908 10.648 1.00 0.00 C ATOM 1361 NZ LYS A 95 -15.907 -0.751 10.086 1.00 0.00 N ATOM 0 H LYS A 95 -10.403 1.727 11.564 1.00 0.00 H new ATOM 0 HA LYS A 95 -9.272 1.161 8.950 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -11.572 0.249 8.240 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -10.472 -0.841 9.060 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -11.801 -1.025 10.911 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -12.313 0.650 10.851 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -13.797 0.109 8.910 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -13.308 -1.570 9.019 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -14.426 -1.913 11.055 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -14.404 -0.212 11.476 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -16.611 -0.927 10.832 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -16.024 0.216 9.721 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -16.045 -1.432 9.312 1.00 0.00 H new ATOM 1375 N VAL A 96 -10.254 3.648 9.625 1.00 0.00 N ATOM 1376 CA VAL A 96 -10.809 4.971 9.377 1.00 0.00 C ATOM 1377 C VAL A 96 -10.222 5.572 8.110 1.00 0.00 C ATOM 1378 O VAL A 96 -9.035 5.412 7.828 1.00 0.00 O ATOM 1379 CB VAL A 96 -10.550 5.929 10.554 1.00 0.00 C ATOM 1380 CG1 VAL A 96 -11.390 7.189 10.412 1.00 0.00 C ATOM 1381 CG2 VAL A 96 -10.833 5.239 11.881 1.00 0.00 C ATOM 0 H VAL A 96 -9.366 3.650 10.126 1.00 0.00 H new ATOM 0 HA VAL A 96 -11.885 4.846 9.260 1.00 0.00 H new ATOM 0 HB VAL A 96 -9.499 6.216 10.538 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -11.193 7.854 11.253 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -11.133 7.695 9.481 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -12.447 6.922 10.400 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -10.644 5.933 12.700 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -11.875 4.919 11.910 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -10.184 4.370 11.985 1.00 0.00 H new ATOM 1391 N ASP A 97 -11.062 6.256 7.350 1.00 0.00 N ATOM 1392 CA ASP A 97 -10.638 6.877 6.108 1.00 0.00 C ATOM 1393 C ASP A 97 -9.787 8.110 6.375 1.00 0.00 C ATOM 1394 O ASP A 97 -9.901 8.750 7.420 1.00 0.00 O ATOM 1395 CB ASP A 97 -11.853 7.252 5.259 1.00 0.00 C ATOM 1396 CG ASP A 97 -11.470 7.658 3.850 1.00 0.00 C ATOM 1397 OD1 ASP A 97 -10.625 6.969 3.242 1.00 0.00 O ATOM 1398 OD2 ASP A 97 -12.017 8.666 3.353 1.00 0.00 O ATOM 0 H ASP A 97 -12.047 6.395 7.574 1.00 0.00 H new ATOM 0 HA ASP A 97 -10.031 6.155 5.561 1.00 0.00 H new ATOM 0 HB2 ASP A 97 -12.538 6.406 5.217 1.00 0.00 H new ATOM 0 HB3 ASP A 97 -12.388 8.072 5.738 1.00 0.00 H new ATOM 1403 N VAL A 98 -8.935 8.427 5.416 1.00 0.00 N ATOM 1404 CA VAL A 98 -8.046 9.578 5.518 1.00 0.00 C ATOM 1405 C VAL A 98 -7.840 10.226 4.154 1.00 0.00 C ATOM 1406 O VAL A 98 -7.140 9.685 3.299 1.00 0.00 O ATOM 1407 CB VAL A 98 -6.676 9.175 6.095 1.00 0.00 C ATOM 1408 CG1 VAL A 98 -5.858 10.409 6.444 1.00 0.00 C ATOM 1409 CG2 VAL A 98 -6.852 8.279 7.310 1.00 0.00 C ATOM 0 H VAL A 98 -8.838 7.899 4.548 1.00 0.00 H new ATOM 0 HA VAL A 98 -8.519 10.292 6.192 1.00 0.00 H new ATOM 0 HB VAL A 98 -6.133 8.613 5.335 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -4.894 10.103 6.850 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -5.701 11.007 5.546 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -6.393 11.002 7.186 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -5.874 8.004 7.704 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -7.416 8.811 8.076 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -7.393 7.378 7.022 1.00 0.00 H new ATOM 1419 N LYS A 99 -8.456 11.386 3.956 1.00 0.00 N ATOM 1420 CA LYS A 99 -8.339 12.103 2.693 1.00 0.00 C ATOM 1421 C LYS A 99 -6.888 12.476 2.409 1.00 0.00 C ATOM 1422 O LYS A 99 -6.259 13.200 3.181 1.00 0.00 O ATOM 1423 CB LYS A 99 -9.206 13.364 2.715 1.00 0.00 C ATOM 1424 CG LYS A 99 -8.767 14.385 3.750 1.00 0.00 C ATOM 1425 CD LYS A 99 -9.875 15.381 4.055 1.00 0.00 C ATOM 1426 CE LYS A 99 -10.610 15.022 5.336 1.00 0.00 C ATOM 1427 NZ LYS A 99 -12.077 15.250 5.217 1.00 0.00 N ATOM 0 H LYS A 99 -9.040 11.849 4.653 1.00 0.00 H new ATOM 0 HA LYS A 99 -8.688 11.444 1.898 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -9.185 13.827 1.728 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -10.240 13.081 2.912 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -8.474 13.873 4.667 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -7.888 14.917 3.387 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -9.452 16.381 4.145 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -10.581 15.407 3.225 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -10.424 13.976 5.581 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -10.216 15.617 6.160 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -12.542 14.993 6.111 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -12.257 16.253 5.009 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -12.458 14.663 4.448 1.00 0.00 H new ATOM 1441 N THR A 100 -6.362 11.976 1.295 1.00 0.00 N ATOM 1442 CA THR A 100 -4.984 12.256 0.908 1.00 0.00 C ATOM 1443 C THR A 100 -4.893 13.564 0.130 1.00 0.00 C ATOM 1444 O THR A 100 -5.547 13.734 -0.899 1.00 0.00 O ATOM 1445 CB THR A 100 -4.426 11.108 0.064 1.00 0.00 C ATOM 1446 OG1 THR A 100 -4.521 9.881 0.764 1.00 0.00 O ATOM 1447 CG2 THR A 100 -2.978 11.302 -0.328 1.00 0.00 C ATOM 0 H THR A 100 -6.869 11.375 0.645 1.00 0.00 H new ATOM 0 HA THR A 100 -4.390 12.352 1.817 1.00 0.00 H new ATOM 0 HB THR A 100 -5.031 11.094 -0.842 1.00 0.00 H new ATOM 0 HG1 THR A 100 -4.161 9.159 0.208 1.00 0.00 H new ATOM 0 HG21 THR A 100 -2.646 10.452 -0.925 1.00 0.00 H new ATOM 0 HG22 THR A 100 -2.879 12.217 -0.912 1.00 0.00 H new ATOM 0 HG23 THR A 100 -2.365 11.377 0.570 1.00 0.00 H new ATOM 1455 N ASP A 101 -4.077 14.487 0.628 1.00 0.00 N ATOM 1456 CA ASP A 101 -3.899 15.782 -0.019 1.00 0.00 C ATOM 1457 C ASP A 101 -2.832 16.604 0.694 1.00 0.00 C ATOM 1458 O ASP A 101 -2.952 17.823 0.819 1.00 0.00 O ATOM 1459 CB ASP A 101 -5.224 16.549 -0.043 1.00 0.00 C ATOM 1460 CG ASP A 101 -5.528 17.135 -1.408 1.00 0.00 C ATOM 1461 OD1 ASP A 101 -4.575 17.529 -2.111 1.00 0.00 O ATOM 1462 OD2 ASP A 101 -6.721 17.198 -1.774 1.00 0.00 O ATOM 0 H ASP A 101 -3.528 14.362 1.478 1.00 0.00 H new ATOM 0 HA ASP A 101 -3.570 15.608 -1.044 1.00 0.00 H new ATOM 0 HB2 ASP A 101 -6.033 15.880 0.251 1.00 0.00 H new ATOM 0 HB3 ASP A 101 -5.190 17.351 0.694 1.00 0.00 H new ATOM 1467 N LYS A 102 -1.787 15.928 1.162 1.00 0.00 N ATOM 1468 CA LYS A 102 -0.696 16.594 1.864 1.00 0.00 C ATOM 1469 C LYS A 102 0.647 15.976 1.492 1.00 0.00 C ATOM 1470 O LYS A 102 1.537 16.660 0.987 1.00 0.00 O ATOM 1471 CB LYS A 102 -0.909 16.510 3.376 1.00 0.00 C ATOM 1472 CG LYS A 102 0.045 17.385 4.175 1.00 0.00 C ATOM 1473 CD LYS A 102 -0.655 18.619 4.723 1.00 0.00 C ATOM 1474 CE LYS A 102 -1.565 18.269 5.889 1.00 0.00 C ATOM 1475 NZ LYS A 102 -2.962 18.006 5.445 1.00 0.00 N ATOM 0 H LYS A 102 -1.673 14.919 1.067 1.00 0.00 H new ATOM 0 HA LYS A 102 -0.689 17.642 1.563 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -1.934 16.800 3.607 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -0.791 15.474 3.694 1.00 0.00 H new ATOM 0 HG2 LYS A 102 0.465 16.808 4.999 1.00 0.00 H new ATOM 0 HG3 LYS A 102 0.878 17.689 3.541 1.00 0.00 H new ATOM 0 HD2 LYS A 102 0.089 19.348 5.046 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -1.239 19.089 3.932 1.00 0.00 H new ATOM 0 HE2 LYS A 102 -1.176 17.390 6.402 1.00 0.00 H new ATOM 0 HE3 LYS A 102 -1.561 19.086 6.610 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 -3.627 18.465 6.100 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 -3.100 18.388 4.488 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 -3.137 16.981 5.437 1.00 0.00 H new ATOM 1489 N TRP A 103 0.788 14.679 1.750 1.00 0.00 N ATOM 1490 CA TRP A 103 2.022 13.965 1.446 1.00 0.00 C ATOM 1491 C TRP A 103 2.439 14.149 -0.008 1.00 0.00 C ATOM 1492 O TRP A 103 3.615 14.016 -0.350 1.00 0.00 O ATOM 1493 CB TRP A 103 1.855 12.490 1.764 1.00 0.00 C ATOM 1494 CG TRP A 103 2.367 12.179 3.113 1.00 0.00 C ATOM 1495 CD1 TRP A 103 1.650 11.761 4.183 1.00 0.00 C ATOM 1496 CD2 TRP A 103 3.720 12.298 3.555 1.00 0.00 C ATOM 1497 NE1 TRP A 103 2.475 11.603 5.253 1.00 0.00 N ATOM 1498 CE2 TRP A 103 3.740 11.919 4.897 1.00 0.00 C ATOM 1499 CE3 TRP A 103 4.916 12.680 2.948 1.00 0.00 C ATOM 1500 CZ2 TRP A 103 4.884 11.902 5.658 1.00 0.00 C ATOM 1501 CZ3 TRP A 103 6.076 12.669 3.704 1.00 0.00 C ATOM 1502 CH2 TRP A 103 6.052 12.278 5.052 1.00 0.00 C ATOM 0 H TRP A 103 0.060 14.101 2.170 1.00 0.00 H new ATOM 0 HA TRP A 103 2.814 14.384 2.068 1.00 0.00 H new ATOM 0 HB2 TRP A 103 0.802 12.217 1.699 1.00 0.00 H new ATOM 0 HB3 TRP A 103 2.385 11.892 1.023 1.00 0.00 H new ATOM 0 HD1 TRP A 103 0.585 11.581 4.186 1.00 0.00 H new ATOM 0 HE1 TRP A 103 2.184 11.294 6.180 1.00 0.00 H new ATOM 0 HE3 TRP A 103 4.937 12.978 1.910 1.00 0.00 H new ATOM 0 HZ2 TRP A 103 4.862 11.603 6.696 1.00 0.00 H new ATOM 0 HZ3 TRP A 103 7.011 12.965 3.251 1.00 0.00 H new ATOM 0 HH2 TRP A 103 6.970 12.274 5.620 1.00 0.00 H new ATOM 1513 N ASP A 104 1.470 14.454 -0.861 1.00 0.00 N ATOM 1514 CA ASP A 104 1.733 14.656 -2.281 1.00 0.00 C ATOM 1515 C ASP A 104 2.287 13.386 -2.920 1.00 0.00 C ATOM 1516 O ASP A 104 3.500 13.217 -3.038 1.00 0.00 O ATOM 1517 CB ASP A 104 2.717 15.811 -2.480 1.00 0.00 C ATOM 1518 CG ASP A 104 2.436 16.598 -3.745 1.00 0.00 C ATOM 1519 OD1 ASP A 104 1.300 17.096 -3.895 1.00 0.00 O ATOM 1520 OD2 ASP A 104 3.352 16.717 -4.585 1.00 0.00 O ATOM 0 H ASP A 104 0.492 14.567 -0.594 1.00 0.00 H new ATOM 0 HA ASP A 104 0.789 14.903 -2.767 1.00 0.00 H new ATOM 0 HB2 ASP A 104 2.667 16.480 -1.621 1.00 0.00 H new ATOM 0 HB3 ASP A 104 3.733 15.417 -2.518 1.00 0.00 H new ATOM 1525 N PHE A 105 1.388 12.496 -3.330 1.00 0.00 N ATOM 1526 CA PHE A 105 1.786 11.242 -3.957 1.00 0.00 C ATOM 1527 C PHE A 105 1.548 11.286 -5.462 1.00 0.00 C ATOM 1528 O PHE A 105 0.523 10.814 -5.954 1.00 0.00 O ATOM 1529 CB PHE A 105 1.015 10.073 -3.341 1.00 0.00 C ATOM 1530 CG PHE A 105 1.724 9.427 -2.186 1.00 0.00 C ATOM 1531 CD1 PHE A 105 2.976 8.858 -2.356 1.00 0.00 C ATOM 1532 CD2 PHE A 105 1.139 9.389 -0.930 1.00 0.00 C ATOM 1533 CE1 PHE A 105 3.631 8.262 -1.295 1.00 0.00 C ATOM 1534 CE2 PHE A 105 1.790 8.795 0.135 1.00 0.00 C ATOM 1535 CZ PHE A 105 3.038 8.231 -0.048 1.00 0.00 C ATOM 0 H PHE A 105 0.380 12.621 -3.239 1.00 0.00 H new ATOM 0 HA PHE A 105 2.852 11.099 -3.781 1.00 0.00 H new ATOM 0 HB2 PHE A 105 0.041 10.428 -3.006 1.00 0.00 H new ATOM 0 HB3 PHE A 105 0.833 9.323 -4.111 1.00 0.00 H new ATOM 0 HD1 PHE A 105 3.445 8.881 -3.329 1.00 0.00 H new ATOM 0 HD2 PHE A 105 0.164 9.828 -0.782 1.00 0.00 H new ATOM 0 HE1 PHE A 105 4.606 7.821 -1.441 1.00 0.00 H new ATOM 0 HE2 PHE A 105 1.324 8.772 1.109 1.00 0.00 H new ATOM 0 HZ PHE A 105 3.549 7.767 0.783 1.00 0.00 H new ATOM 1545 N TYR A 106 2.501 11.859 -6.190 1.00 0.00 N ATOM 1546 CA TYR A 106 2.395 11.965 -7.641 1.00 0.00 C ATOM 1547 C TYR A 106 3.767 11.855 -8.297 1.00 0.00 C ATOM 1548 O TYR A 106 4.729 12.487 -7.858 1.00 0.00 O ATOM 1549 CB TYR A 106 1.735 13.290 -8.029 1.00 0.00 C ATOM 1550 CG TYR A 106 0.745 13.165 -9.166 1.00 0.00 C ATOM 1551 CD1 TYR A 106 1.101 12.544 -10.357 1.00 0.00 C ATOM 1552 CD2 TYR A 106 -0.545 13.666 -9.047 1.00 0.00 C ATOM 1553 CE1 TYR A 106 0.198 12.428 -11.397 1.00 0.00 C ATOM 1554 CE2 TYR A 106 -1.453 13.553 -10.083 1.00 0.00 C ATOM 1555 CZ TYR A 106 -1.076 12.933 -11.255 1.00 0.00 C ATOM 1556 OH TYR A 106 -1.977 12.819 -12.289 1.00 0.00 O ATOM 0 H TYR A 106 3.355 12.257 -5.799 1.00 0.00 H new ATOM 0 HA TYR A 106 1.776 11.141 -7.996 1.00 0.00 H new ATOM 0 HB2 TYR A 106 1.225 13.701 -7.158 1.00 0.00 H new ATOM 0 HB3 TYR A 106 2.510 14.003 -8.310 1.00 0.00 H new ATOM 0 HD1 TYR A 106 2.098 12.146 -10.472 1.00 0.00 H new ATOM 0 HD2 TYR A 106 -0.844 14.152 -8.130 1.00 0.00 H new ATOM 0 HE1 TYR A 106 0.490 11.944 -12.317 1.00 0.00 H new ATOM 0 HE2 TYR A 106 -2.452 13.948 -9.975 1.00 0.00 H new ATOM 0 HH TYR A 106 -2.829 13.225 -12.026 1.00 0.00 H new ATOM 1566 N CYS A 107 3.851 11.050 -9.350 1.00 0.00 N ATOM 1567 CA CYS A 107 5.106 10.857 -10.068 1.00 0.00 C ATOM 1568 C CYS A 107 5.620 12.179 -10.630 1.00 0.00 C ATOM 1569 O CYS A 107 4.867 13.143 -10.764 1.00 0.00 O ATOM 1570 CB CYS A 107 4.920 9.843 -11.199 1.00 0.00 C ATOM 1571 SG CYS A 107 5.516 8.167 -10.800 1.00 0.00 S ATOM 0 H CYS A 107 3.065 10.520 -9.726 1.00 0.00 H new ATOM 0 HA CYS A 107 5.844 10.472 -9.364 1.00 0.00 H new ATOM 0 HB2 CYS A 107 3.862 9.790 -11.454 1.00 0.00 H new ATOM 0 HB3 CYS A 107 5.444 10.202 -12.085 1.00 0.00 H new ATOM 1576 N GLN A 108 6.907 12.215 -10.959 1.00 0.00 N ATOM 1577 CA GLN A 108 7.521 13.418 -11.508 1.00 0.00 C ATOM 1578 C GLN A 108 7.100 13.631 -12.958 1.00 0.00 C ATOM 1579 O GLN A 108 7.186 12.665 -13.746 1.00 0.00 O ATOM 1580 CB GLN A 108 9.046 13.324 -11.416 1.00 0.00 C ATOM 1581 CG GLN A 108 9.724 14.663 -11.168 1.00 0.00 C ATOM 1582 CD GLN A 108 11.228 14.536 -11.023 1.00 0.00 C ATOM 1583 OE1 GLN A 108 11.978 14.788 -11.966 1.00 0.00 O ATOM 1584 NE2 GLN A 108 11.676 14.141 -9.837 1.00 0.00 N ATOM 1585 OXT GLN A 108 6.689 14.762 -13.294 1.00 0.00 O ATOM 0 H GLN A 108 7.544 11.426 -10.855 1.00 0.00 H new ATOM 0 HA GLN A 108 7.180 14.271 -10.921 1.00 0.00 H new ATOM 0 HB2 GLN A 108 9.312 12.637 -10.612 1.00 0.00 H new ATOM 0 HB3 GLN A 108 9.432 12.896 -12.341 1.00 0.00 H new ATOM 0 HG2 GLN A 108 9.498 15.339 -11.993 1.00 0.00 H new ATOM 0 HG3 GLN A 108 9.312 15.113 -10.265 1.00 0.00 H new ATOM 0 HE21 GLN A 108 11.018 13.943 -9.083 1.00 0.00 H new ATOM 0 HE22 GLN A 108 12.678 14.036 -9.680 1.00 0.00 H new TER 1594 GLN A 108