USER MOD reduce.3.24.130724 H: found=0, std=0, add=992, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 993 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 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 THR OG1 : rot 52:sc= 0.00427 USER MOD Single : A 9 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 12 ASN :FLIP amide:sc= 0.27 F(o=-5.4!,f=0.27) USER MOD Single : A 20 THR OG1 : rot 82:sc= 0.606 USER MOD Single : A 21 LYS NZ :NH3+ -118:sc= -0.329 (180deg=-1.38) USER MOD Single : A 23 THR OG1 : rot 110:sc= -4.48! USER MOD Single : A 26 LYS NZ :NH3+ -127:sc= -5.41! (180deg=-7.21!) USER MOD Single : A 27 CYS SG : rot 102:sc= -3.55! USER MOD Single : A 30 SER OG : rot 83:sc= 1.23 USER MOD Single : A 32 SER OG : rot -170:sc= -0.779 USER MOD Single : A 33 ASN : amide:sc= 0 X(o=0,f=-0.061) USER MOD Single : A 34 MET CE :methyl -142:sc= -1.26 (180deg=-4.82!) USER MOD Single : A 36 ASN : amide:sc=-0.00571 X(o=-0.0057,f=0) USER MOD Single : A 40 GLN : amide:sc= 0 K(o=0,f=-0.69) USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 179:sc= -1.37 (180deg=-1.38) USER MOD Single : A 56 GLN : amide:sc= -0.0905 X(o=-0.09,f=-0.071) USER MOD Single : A 59 GLN : amide:sc= -2.06 K(o=-2.1,f=-2.7!) USER MOD Single : A 62 LYS NZ :NH3+ 167:sc= -1.09 (180deg=-1.7!) USER MOD Single : A 66 THR OG1 : rot 180:sc= -0.309 USER MOD Single : A 69 LYS NZ :NH3+ -154:sc= 0.212 (180deg=0.0658) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 GLN :FLIP amide:sc= -0.211 F(o=-0.73,f=-0.21) USER MOD Single : A 82 SER OG : rot 180:sc= -0.0431 USER MOD Single : A 92 HIS : no HD1:sc= -0.0112 X(o=-0.011,f=-0.0046) USER MOD Single : A 93 THR OG1 : rot 29:sc= 1.06 USER MOD Single : A 105 SER OG : rot -38:sc= 0.447 USER MOD Single : A 106 THR OG1 : rot 77:sc= 0.0292 USER MOD Single : A 108 HIS : no HD1:sc= -0.41 X(o=-0.41,f=-0.041) USER MOD Single : A 109 THR OG1 : rot 180:sc= -0.942 USER MOD Single : A 111 GLN :FLIP amide:sc= -1.54! C(o=-2.4!,f=-1.5!) USER MOD Single : A 115 THR OG1 : rot 180:sc= 0 USER MOD Single : A 121 SER OG : rot 14:sc= -3.91! USER MOD Single : A 122 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 123 MET CE :methyl -156:sc= -0.261 (180deg=-0.867) USER MOD Single : A 124 THR OG1 : rot -140:sc= -0.506 USER MOD ----------------------------------------------------------------- ATOM 21 N LEU A 3 -15.729 4.180 14.494 1.00 0.00 N ATOM 22 CA LEU A 3 -14.777 5.050 13.772 1.00 0.00 C ATOM 23 C LEU A 3 -13.557 5.433 14.632 1.00 0.00 C ATOM 24 O LEU A 3 -13.024 6.542 14.515 1.00 0.00 O ATOM 25 CB LEU A 3 -15.490 6.315 13.242 1.00 0.00 C ATOM 26 CG LEU A 3 -15.514 6.467 11.720 1.00 0.00 C ATOM 27 CD1 LEU A 3 -16.779 7.186 11.278 1.00 0.00 C ATOM 28 CD2 LEU A 3 -14.281 7.220 11.237 1.00 0.00 C ATOM 0 HA LEU A 3 -14.400 4.475 12.926 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -16.517 6.311 13.606 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -15.003 7.192 13.670 1.00 0.00 H new ATOM 0 HG LEU A 3 -15.506 5.472 11.276 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -16.780 7.286 10.193 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -17.652 6.613 11.591 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -16.813 8.176 11.734 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -14.316 7.318 10.152 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -14.259 8.211 11.690 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -13.384 6.671 11.523 1.00 0.00 H new ATOM 40 N THR A 4 -13.128 4.497 15.495 1.00 0.00 N ATOM 41 CA THR A 4 -11.963 4.689 16.373 1.00 0.00 C ATOM 42 C THR A 4 -11.407 3.343 16.841 1.00 0.00 C ATOM 43 O THR A 4 -11.922 2.741 17.792 1.00 0.00 O ATOM 44 CB THR A 4 -12.285 5.556 17.623 1.00 0.00 C ATOM 45 OG1 THR A 4 -13.591 5.240 18.122 1.00 0.00 O ATOM 46 CG2 THR A 4 -12.201 7.044 17.314 1.00 0.00 C ATOM 0 H THR A 4 -13.578 3.588 15.603 1.00 0.00 H new ATOM 0 HA THR A 4 -11.221 5.218 15.774 1.00 0.00 H new ATOM 0 HB THR A 4 -11.537 5.326 18.382 1.00 0.00 H new ATOM 0 HG1 THR A 4 -13.667 4.271 18.250 1.00 0.00 H new ATOM 0 HG21 THR A 4 -12.433 7.616 18.213 1.00 0.00 H new ATOM 0 HG22 THR A 4 -11.194 7.289 16.977 1.00 0.00 H new ATOM 0 HG23 THR A 4 -12.916 7.294 16.530 1.00 0.00 H new ATOM 54 N GLY A 5 -10.368 2.867 16.147 1.00 0.00 N ATOM 55 CA GLY A 5 -9.745 1.600 16.503 1.00 0.00 C ATOM 56 C GLY A 5 -8.235 1.621 16.359 1.00 0.00 C ATOM 57 O GLY A 5 -7.564 2.464 16.962 1.00 0.00 O ATOM 0 H GLY A 5 -9.949 3.338 15.345 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -10.003 1.351 17.532 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -10.154 0.811 15.872 1.00 0.00 H new ATOM 61 N ALA A 6 -7.704 0.691 15.557 1.00 0.00 N ATOM 62 CA ALA A 6 -6.257 0.583 15.335 1.00 0.00 C ATOM 63 C ALA A 6 -5.851 0.981 13.909 1.00 0.00 C ATOM 64 O ALA A 6 -4.657 1.022 13.590 1.00 0.00 O ATOM 65 CB ALA A 6 -5.789 -0.832 15.647 1.00 0.00 C ATOM 0 H ALA A 6 -8.257 0.000 15.049 1.00 0.00 H new ATOM 0 HA ALA A 6 -5.769 1.286 16.010 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -4.714 -0.905 15.480 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -6.011 -1.068 16.688 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -6.306 -1.538 14.997 1.00 0.00 H new ATOM 71 N LEU A 7 -6.843 1.283 13.063 1.00 0.00 N ATOM 72 CA LEU A 7 -6.594 1.686 11.679 1.00 0.00 C ATOM 73 C LEU A 7 -6.618 3.214 11.587 1.00 0.00 C ATOM 74 O LEU A 7 -7.470 3.801 10.906 1.00 0.00 O ATOM 75 CB LEU A 7 -7.643 1.061 10.752 1.00 0.00 C ATOM 76 CG LEU A 7 -7.377 1.214 9.263 1.00 0.00 C ATOM 77 CD1 LEU A 7 -7.206 -0.146 8.633 1.00 0.00 C ATOM 78 CD2 LEU A 7 -8.494 1.989 8.580 1.00 0.00 C ATOM 0 H LEU A 7 -7.830 1.255 13.317 1.00 0.00 H new ATOM 0 HA LEU A 7 -5.613 1.331 11.362 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -7.718 -0.002 10.982 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -8.612 1.506 10.977 1.00 0.00 H new ATOM 0 HG LEU A 7 -6.457 1.784 9.132 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -7.016 -0.031 7.566 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -6.365 -0.659 9.099 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -8.114 -0.731 8.779 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -8.275 2.082 7.516 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -9.437 1.459 8.711 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -8.571 2.982 9.022 1.00 0.00 H new ATOM 90 N ALA A 8 -5.665 3.862 12.288 1.00 0.00 N ATOM 91 CA ALA A 8 -5.580 5.338 12.353 1.00 0.00 C ATOM 92 C ALA A 8 -6.890 5.906 12.928 1.00 0.00 C ATOM 93 O ALA A 8 -7.299 7.033 12.622 1.00 0.00 O ATOM 94 CB ALA A 8 -5.256 5.941 10.979 1.00 0.00 C ATOM 0 H ALA A 8 -4.939 3.384 12.821 1.00 0.00 H new ATOM 0 HA ALA A 8 -4.761 5.615 13.017 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -5.201 7.026 11.062 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -4.299 5.555 10.629 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -6.038 5.671 10.269 1.00 0.00 H new ATOM 100 N MET A 9 -7.526 5.077 13.793 1.00 0.00 N ATOM 101 CA MET A 9 -8.811 5.372 14.459 1.00 0.00 C ATOM 102 C MET A 9 -9.995 5.252 13.475 1.00 0.00 C ATOM 103 O MET A 9 -10.893 6.096 13.459 1.00 0.00 O ATOM 104 CB MET A 9 -8.799 6.753 15.156 1.00 0.00 C ATOM 105 CG MET A 9 -7.905 6.812 16.388 1.00 0.00 C ATOM 106 SD MET A 9 -7.983 8.402 17.241 1.00 0.00 S ATOM 107 CE MET A 9 -6.899 9.405 16.224 1.00 0.00 C ATOM 0 H MET A 9 -7.148 4.165 14.050 1.00 0.00 H new ATOM 0 HA MET A 9 -8.946 4.621 15.237 1.00 0.00 H new ATOM 0 HB2 MET A 9 -8.468 7.507 14.442 1.00 0.00 H new ATOM 0 HB3 MET A 9 -9.817 7.013 15.445 1.00 0.00 H new ATOM 0 HG2 MET A 9 -8.195 6.021 17.079 1.00 0.00 H new ATOM 0 HG3 MET A 9 -6.875 6.615 16.092 1.00 0.00 H new ATOM 0 HE1 MET A 9 -6.850 10.415 16.631 1.00 0.00 H new ATOM 0 HE2 MET A 9 -5.900 8.968 16.216 1.00 0.00 H new ATOM 0 HE3 MET A 9 -7.287 9.442 15.206 1.00 0.00 H new ATOM 117 N ARG A 10 -9.974 4.188 12.640 1.00 0.00 N ATOM 118 CA ARG A 10 -11.044 3.928 11.641 1.00 0.00 C ATOM 119 C ARG A 10 -11.213 2.426 11.344 1.00 0.00 C ATOM 120 O ARG A 10 -11.975 2.042 10.451 1.00 0.00 O ATOM 121 CB ARG A 10 -10.760 4.679 10.327 1.00 0.00 C ATOM 122 CG ARG A 10 -10.849 6.198 10.432 1.00 0.00 C ATOM 123 CD ARG A 10 -9.711 6.889 9.689 1.00 0.00 C ATOM 124 NE ARG A 10 -9.845 6.776 8.229 1.00 0.00 N ATOM 125 CZ ARG A 10 -8.983 7.294 7.341 1.00 0.00 C ATOM 126 NH1 ARG A 10 -7.908 7.971 7.739 1.00 0.00 N ATOM 127 NH2 ARG A 10 -9.204 7.131 6.044 1.00 0.00 N ATOM 0 H ARG A 10 -9.228 3.493 12.636 1.00 0.00 H new ATOM 0 HA ARG A 10 -11.973 4.293 12.079 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -9.763 4.410 9.978 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -11.466 4.338 9.569 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -11.803 6.534 10.027 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -10.827 6.491 11.482 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -9.685 7.942 9.968 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -8.761 6.453 9.999 1.00 0.00 H new ATOM 0 HE ARG A 10 -10.651 6.267 7.865 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -7.728 8.103 8.734 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -7.264 8.357 7.049 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -10.025 6.615 5.727 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -8.553 7.522 5.363 1.00 0.00 H new ATOM 141 N LEU A 11 -10.517 1.580 12.110 1.00 0.00 N ATOM 142 CA LEU A 11 -10.584 0.104 11.975 1.00 0.00 C ATOM 143 C LEU A 11 -12.019 -0.431 12.155 1.00 0.00 C ATOM 144 O LEU A 11 -12.292 -1.593 11.842 1.00 0.00 O ATOM 145 CB LEU A 11 -9.594 -0.502 13.009 1.00 0.00 C ATOM 146 CG LEU A 11 -9.511 -2.045 13.213 1.00 0.00 C ATOM 147 CD1 LEU A 11 -10.602 -2.549 14.149 1.00 0.00 C ATOM 148 CD2 LEU A 11 -9.545 -2.803 11.888 1.00 0.00 C ATOM 0 H LEU A 11 -9.885 1.892 12.848 1.00 0.00 H new ATOM 0 HA LEU A 11 -10.297 -0.194 10.967 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -8.596 -0.159 12.738 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -9.830 -0.061 13.978 1.00 0.00 H new ATOM 0 HG LEU A 11 -8.547 -2.243 13.681 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -10.511 -3.629 14.266 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -10.497 -2.068 15.122 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -11.580 -2.311 13.730 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -9.485 -3.874 12.080 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -10.475 -2.580 11.365 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -8.700 -2.497 11.272 1.00 0.00 H new ATOM 160 N ASN A 12 -12.934 0.427 12.633 1.00 0.00 N ATOM 161 CA ASN A 12 -14.332 0.042 12.830 1.00 0.00 C ATOM 162 C ASN A 12 -14.993 -0.304 11.513 1.00 0.00 C ATOM 163 O ASN A 12 -14.682 0.258 10.462 1.00 0.00 O ATOM 164 CB ASN A 12 -15.119 1.143 13.537 1.00 0.00 C ATOM 165 CG ASN A 12 -14.698 1.319 14.986 1.00 0.00 C ATOM 166 OD1 ASN A 12 -13.445 1.703 15.202 1.00 0.00 O flip ATOM 167 ND2 ASN A 12 -15.490 1.105 15.902 1.00 0.00 N flip ATOM 0 H ASN A 12 -12.726 1.392 12.889 1.00 0.00 H new ATOM 0 HA ASN A 12 -14.336 -0.844 13.465 1.00 0.00 H new ATOM 0 HB2 ASN A 12 -14.980 2.084 13.005 1.00 0.00 H new ATOM 0 HB3 ASN A 12 -16.183 0.908 13.497 1.00 0.00 H new ATOM 0 HD21 ASN A 12 -16.444 0.811 15.693 1.00 0.00 H new ATOM 0 HD22 ASN A 12 -15.193 1.221 16.871 1.00 0.00 H new ATOM 174 N ASP A 13 -15.905 -1.246 11.629 1.00 0.00 N ATOM 175 CA ASP A 13 -16.690 -1.813 10.529 1.00 0.00 C ATOM 176 C ASP A 13 -17.228 -0.795 9.506 1.00 0.00 C ATOM 177 O ASP A 13 -17.441 -1.165 8.352 1.00 0.00 O ATOM 178 CB ASP A 13 -17.826 -2.634 11.144 1.00 0.00 C ATOM 179 CG ASP A 13 -18.643 -3.424 10.130 1.00 0.00 C ATOM 180 OD1 ASP A 13 -18.281 -4.587 9.853 1.00 0.00 O ATOM 181 OD2 ASP A 13 -19.641 -2.877 9.615 1.00 0.00 O ATOM 0 H ASP A 13 -16.137 -1.663 12.530 1.00 0.00 H new ATOM 0 HA ASP A 13 -16.016 -2.433 9.937 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -17.406 -3.326 11.874 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -18.492 -1.963 11.687 1.00 0.00 H new ATOM 186 N GLU A 14 -17.435 0.465 9.902 1.00 0.00 N ATOM 187 CA GLU A 14 -17.938 1.478 8.963 1.00 0.00 C ATOM 188 C GLU A 14 -16.863 1.864 7.956 1.00 0.00 C ATOM 189 O GLU A 14 -17.056 1.762 6.734 1.00 0.00 O ATOM 190 CB GLU A 14 -18.420 2.733 9.708 1.00 0.00 C ATOM 191 CG GLU A 14 -19.828 2.614 10.270 1.00 0.00 C ATOM 192 CD GLU A 14 -19.892 1.818 11.563 1.00 0.00 C ATOM 193 OE1 GLU A 14 -20.069 0.584 11.492 1.00 0.00 O ATOM 194 OE2 GLU A 14 -19.764 2.431 12.644 1.00 0.00 O ATOM 0 H GLU A 14 -17.266 0.806 10.848 1.00 0.00 H new ATOM 0 HA GLU A 14 -18.783 1.040 8.431 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -17.730 2.946 10.525 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -18.382 3.584 9.028 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -20.228 3.613 10.446 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -20.470 2.140 9.527 1.00 0.00 H new ATOM 201 N ASP A 15 -15.695 2.202 8.492 1.00 0.00 N ATOM 202 CA ASP A 15 -14.574 2.636 7.682 1.00 0.00 C ATOM 203 C ASP A 15 -13.828 1.443 7.148 1.00 0.00 C ATOM 204 O ASP A 15 -13.176 1.539 6.131 1.00 0.00 O ATOM 205 CB ASP A 15 -13.641 3.513 8.499 1.00 0.00 C ATOM 206 CG ASP A 15 -14.184 4.918 8.700 1.00 0.00 C ATOM 207 OD1 ASP A 15 -15.347 5.051 9.136 1.00 0.00 O ATOM 208 OD2 ASP A 15 -13.443 5.884 8.421 1.00 0.00 O ATOM 0 H ASP A 15 -15.504 2.182 9.494 1.00 0.00 H new ATOM 0 HA ASP A 15 -14.955 3.218 6.843 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -13.473 3.050 9.471 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -12.673 3.570 8.001 1.00 0.00 H new ATOM 213 N LEU A 16 -13.965 0.319 7.853 1.00 0.00 N ATOM 214 CA LEU A 16 -13.327 -0.937 7.483 1.00 0.00 C ATOM 215 C LEU A 16 -14.051 -1.570 6.303 1.00 0.00 C ATOM 216 O LEU A 16 -13.415 -2.156 5.441 1.00 0.00 O ATOM 217 CB LEU A 16 -13.309 -1.862 8.694 1.00 0.00 C ATOM 218 CG LEU A 16 -12.938 -3.328 8.435 1.00 0.00 C ATOM 219 CD1 LEU A 16 -12.015 -3.818 9.517 1.00 0.00 C ATOM 220 CD2 LEU A 16 -14.186 -4.200 8.373 1.00 0.00 C ATOM 0 H LEU A 16 -14.527 0.258 8.702 1.00 0.00 H new ATOM 0 HA LEU A 16 -12.299 -0.754 7.171 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -12.606 -1.456 9.422 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -14.296 -1.837 9.156 1.00 0.00 H new ATOM 0 HG LEU A 16 -12.430 -3.393 7.473 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -11.754 -4.860 9.329 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -11.109 -3.213 9.524 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -12.512 -3.737 10.484 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -13.898 -5.235 8.188 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -14.722 -4.136 9.320 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -14.832 -3.854 7.566 1.00 0.00 H new ATOM 232 N ASP A 17 -15.387 -1.490 6.314 1.00 0.00 N ATOM 233 CA ASP A 17 -16.203 -1.994 5.203 1.00 0.00 C ATOM 234 C ASP A 17 -15.996 -1.085 3.984 1.00 0.00 C ATOM 235 O ASP A 17 -15.567 -1.536 2.895 1.00 0.00 O ATOM 236 CB ASP A 17 -17.683 -2.034 5.599 1.00 0.00 C ATOM 237 CG ASP A 17 -18.437 -3.167 4.930 1.00 0.00 C ATOM 238 OD1 ASP A 17 -18.488 -4.271 5.511 1.00 0.00 O ATOM 239 OD2 ASP A 17 -18.976 -2.950 3.824 1.00 0.00 O ATOM 0 H ASP A 17 -15.925 -1.082 7.078 1.00 0.00 H new ATOM 0 HA ASP A 17 -15.896 -3.010 4.956 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -17.763 -2.139 6.681 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -18.151 -1.086 5.335 1.00 0.00 H new ATOM 244 N PHE A 18 -16.229 0.228 4.193 1.00 0.00 N ATOM 245 CA PHE A 18 -16.041 1.204 3.127 1.00 0.00 C ATOM 246 C PHE A 18 -14.545 1.314 2.753 1.00 0.00 C ATOM 247 O PHE A 18 -14.200 1.899 1.728 1.00 0.00 O ATOM 248 CB PHE A 18 -16.688 2.562 3.480 1.00 0.00 C ATOM 249 CG PHE A 18 -18.200 2.519 3.540 1.00 0.00 C ATOM 250 CD1 PHE A 18 -18.868 2.677 4.744 1.00 0.00 C ATOM 251 CD2 PHE A 18 -18.953 2.324 2.387 1.00 0.00 C ATOM 252 CE1 PHE A 18 -20.249 2.640 4.800 1.00 0.00 C ATOM 253 CE2 PHE A 18 -20.333 2.285 2.439 1.00 0.00 C ATOM 254 CZ PHE A 18 -20.981 2.443 3.647 1.00 0.00 C ATOM 0 H PHE A 18 -16.543 0.621 5.080 1.00 0.00 H new ATOM 0 HA PHE A 18 -16.563 0.856 2.235 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -16.304 2.897 4.444 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -16.384 3.303 2.740 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -18.302 2.831 5.651 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -18.452 2.201 1.438 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -20.755 2.765 5.746 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -20.904 2.131 1.535 1.00 0.00 H new ATOM 0 HZ PHE A 18 -22.060 2.413 3.690 1.00 0.00 H new ATOM 264 N LEU A 19 -13.668 0.807 3.651 1.00 0.00 N ATOM 265 CA LEU A 19 -12.213 0.721 3.414 1.00 0.00 C ATOM 266 C LEU A 19 -11.883 -0.595 2.689 1.00 0.00 C ATOM 267 O LEU A 19 -10.927 -0.673 1.914 1.00 0.00 O ATOM 268 CB LEU A 19 -11.436 0.716 4.751 1.00 0.00 C ATOM 269 CG LEU A 19 -10.004 1.332 4.801 1.00 0.00 C ATOM 270 CD1 LEU A 19 -9.261 1.282 3.465 1.00 0.00 C ATOM 271 CD2 LEU A 19 -10.051 2.761 5.320 1.00 0.00 C ATOM 0 H LEU A 19 -13.953 0.446 4.561 1.00 0.00 H new ATOM 0 HA LEU A 19 -11.923 1.585 2.816 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -12.045 1.242 5.486 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -11.359 -0.320 5.082 1.00 0.00 H new ATOM 0 HG LEU A 19 -9.438 0.706 5.491 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -8.274 1.729 3.581 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -9.155 0.245 3.146 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -9.824 1.836 2.714 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -9.042 3.172 5.347 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -10.672 3.367 4.661 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -10.473 2.769 6.325 1.00 0.00 H new ATOM 283 N THR A 20 -12.689 -1.634 2.980 1.00 0.00 N ATOM 284 CA THR A 20 -12.488 -2.977 2.430 1.00 0.00 C ATOM 285 C THR A 20 -12.970 -3.110 0.984 1.00 0.00 C ATOM 286 O THR A 20 -12.643 -4.098 0.321 1.00 0.00 O ATOM 287 CB THR A 20 -13.144 -4.069 3.327 1.00 0.00 C ATOM 288 OG1 THR A 20 -12.415 -5.295 3.209 1.00 0.00 O ATOM 289 CG2 THR A 20 -14.614 -4.330 2.989 1.00 0.00 C ATOM 0 H THR A 20 -13.494 -1.560 3.602 1.00 0.00 H new ATOM 0 HA THR A 20 -11.410 -3.136 2.423 1.00 0.00 H new ATOM 0 HB THR A 20 -13.109 -3.690 4.348 1.00 0.00 H new ATOM 0 HG1 THR A 20 -11.635 -5.270 3.801 1.00 0.00 H new ATOM 0 HG21 THR A 20 -15.008 -5.101 3.651 1.00 0.00 H new ATOM 0 HG22 THR A 20 -15.186 -3.412 3.120 1.00 0.00 H new ATOM 0 HG23 THR A 20 -14.696 -4.664 1.955 1.00 0.00 H new ATOM 297 N LYS A 21 -13.775 -2.130 0.524 1.00 0.00 N ATOM 298 CA LYS A 21 -14.301 -2.092 -0.870 1.00 0.00 C ATOM 299 C LYS A 21 -13.317 -2.629 -1.929 1.00 0.00 C ATOM 300 O LYS A 21 -13.739 -3.227 -2.920 1.00 0.00 O ATOM 301 CB LYS A 21 -14.693 -0.653 -1.278 1.00 0.00 C ATOM 302 CG LYS A 21 -13.887 0.464 -0.628 1.00 0.00 C ATOM 303 CD LYS A 21 -12.492 0.599 -1.210 1.00 0.00 C ATOM 304 CE LYS A 21 -11.560 1.239 -0.210 1.00 0.00 C ATOM 305 NZ LYS A 21 -10.164 1.327 -0.720 1.00 0.00 N ATOM 0 H LYS A 21 -14.081 -1.345 1.098 1.00 0.00 H new ATOM 0 HA LYS A 21 -15.171 -2.749 -0.852 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -14.596 -0.563 -2.360 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -15.746 -0.502 -1.039 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -14.419 1.408 -0.749 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -13.812 0.276 0.443 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -12.113 -0.383 -1.492 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -12.528 1.200 -2.119 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -11.920 2.239 0.032 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -11.572 0.663 0.715 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -9.535 0.769 -0.108 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -10.125 0.953 -1.690 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -9.856 2.320 -0.719 1.00 0.00 H new ATOM 319 N TRP A 22 -12.009 -2.405 -1.701 1.00 0.00 N ATOM 320 CA TRP A 22 -10.948 -2.825 -2.627 1.00 0.00 C ATOM 321 C TRP A 22 -9.574 -2.726 -1.942 1.00 0.00 C ATOM 322 O TRP A 22 -9.474 -2.251 -0.810 1.00 0.00 O ATOM 323 CB TRP A 22 -10.989 -1.954 -3.900 1.00 0.00 C ATOM 324 CG TRP A 22 -10.740 -2.705 -5.184 1.00 0.00 C ATOM 325 CD1 TRP A 22 -9.814 -2.396 -6.139 1.00 0.00 C ATOM 326 CD2 TRP A 22 -11.434 -3.873 -5.669 1.00 0.00 C ATOM 327 NE1 TRP A 22 -9.885 -3.289 -7.177 1.00 0.00 N ATOM 328 CE2 TRP A 22 -10.866 -4.207 -6.913 1.00 0.00 C ATOM 329 CE3 TRP A 22 -12.474 -4.670 -5.172 1.00 0.00 C ATOM 330 CZ2 TRP A 22 -11.300 -5.296 -7.664 1.00 0.00 C ATOM 331 CZ3 TRP A 22 -12.903 -5.750 -5.919 1.00 0.00 C ATOM 332 CH2 TRP A 22 -12.316 -6.055 -7.153 1.00 0.00 C ATOM 0 H TRP A 22 -11.661 -1.928 -0.869 1.00 0.00 H new ATOM 0 HA TRP A 22 -11.112 -3.864 -2.911 1.00 0.00 H new ATOM 0 HB2 TRP A 22 -11.963 -1.469 -3.961 1.00 0.00 H new ATOM 0 HB3 TRP A 22 -10.245 -1.163 -3.807 1.00 0.00 H new ATOM 0 HD1 TRP A 22 -9.124 -1.567 -6.084 1.00 0.00 H new ATOM 0 HE1 TRP A 22 -9.300 -3.272 -8.013 1.00 0.00 H new ATOM 0 HE3 TRP A 22 -12.933 -4.444 -4.221 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 -10.850 -5.533 -8.617 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 -13.705 -6.369 -5.545 1.00 0.00 H new ATOM 0 HH2 TRP A 22 -12.673 -6.907 -7.713 1.00 0.00 H new ATOM 343 N THR A 23 -8.523 -3.159 -2.648 1.00 0.00 N ATOM 344 CA THR A 23 -7.145 -3.157 -2.126 1.00 0.00 C ATOM 345 C THR A 23 -6.392 -1.899 -2.544 1.00 0.00 C ATOM 346 O THR A 23 -7.003 -0.889 -2.875 1.00 0.00 O ATOM 347 CB THR A 23 -6.377 -4.385 -2.640 1.00 0.00 C ATOM 348 OG1 THR A 23 -6.588 -4.553 -4.039 1.00 0.00 O ATOM 349 CG2 THR A 23 -6.803 -5.628 -1.898 1.00 0.00 C ATOM 0 H THR A 23 -8.600 -3.522 -3.598 1.00 0.00 H new ATOM 0 HA THR A 23 -7.211 -3.185 -1.038 1.00 0.00 H new ATOM 0 HB THR A 23 -5.314 -4.222 -2.462 1.00 0.00 H new ATOM 0 HG1 THR A 23 -5.761 -4.345 -4.522 1.00 0.00 H new ATOM 0 HG21 THR A 23 -6.248 -6.486 -2.277 1.00 0.00 H new ATOM 0 HG22 THR A 23 -6.599 -5.505 -0.834 1.00 0.00 H new ATOM 0 HG23 THR A 23 -7.870 -5.792 -2.046 1.00 0.00 H new ATOM 357 N ASP A 24 -5.058 -1.967 -2.485 1.00 0.00 N ATOM 358 CA ASP A 24 -4.189 -0.865 -2.881 1.00 0.00 C ATOM 359 C ASP A 24 -2.970 -1.409 -3.639 1.00 0.00 C ATOM 360 O ASP A 24 -1.991 -0.688 -3.867 1.00 0.00 O ATOM 361 CB ASP A 24 -3.738 -0.075 -1.650 1.00 0.00 C ATOM 362 CG ASP A 24 -4.883 0.651 -0.965 1.00 0.00 C ATOM 363 OD1 ASP A 24 -5.511 0.054 -0.065 1.00 0.00 O ATOM 364 OD2 ASP A 24 -5.150 1.816 -1.329 1.00 0.00 O ATOM 0 H ASP A 24 -4.554 -2.792 -2.160 1.00 0.00 H new ATOM 0 HA ASP A 24 -4.745 -0.195 -3.537 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -3.268 -0.755 -0.940 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -2.980 0.650 -1.947 1.00 0.00 H new ATOM 369 N PHE A 25 -3.058 -2.684 -4.052 1.00 0.00 N ATOM 370 CA PHE A 25 -1.967 -3.347 -4.761 1.00 0.00 C ATOM 371 C PHE A 25 -2.341 -3.616 -6.224 1.00 0.00 C ATOM 372 O PHE A 25 -2.297 -4.738 -6.736 1.00 0.00 O ATOM 373 CB PHE A 25 -1.618 -4.611 -3.971 1.00 0.00 C ATOM 374 CG PHE A 25 -0.386 -5.412 -4.353 1.00 0.00 C ATOM 375 CD1 PHE A 25 0.724 -5.428 -3.520 1.00 0.00 C ATOM 376 CD2 PHE A 25 -0.354 -6.184 -5.507 1.00 0.00 C ATOM 377 CE1 PHE A 25 1.837 -6.187 -3.832 1.00 0.00 C ATOM 378 CE2 PHE A 25 0.759 -6.939 -5.827 1.00 0.00 C ATOM 379 CZ PHE A 25 1.855 -6.942 -4.988 1.00 0.00 C ATOM 0 H PHE A 25 -3.878 -3.272 -3.903 1.00 0.00 H new ATOM 0 HA PHE A 25 -1.082 -2.713 -4.816 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -1.510 -4.324 -2.925 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -2.475 -5.281 -4.031 1.00 0.00 H new ATOM 0 HD1 PHE A 25 0.718 -4.839 -2.615 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -1.211 -6.195 -6.164 1.00 0.00 H new ATOM 0 HE1 PHE A 25 2.692 -6.189 -3.172 1.00 0.00 H new ATOM 0 HE2 PHE A 25 0.771 -7.526 -6.733 1.00 0.00 H new ATOM 0 HZ PHE A 25 2.724 -7.533 -5.235 1.00 0.00 H new ATOM 389 N LYS A 26 -2.745 -2.533 -6.853 1.00 0.00 N ATOM 390 CA LYS A 26 -3.006 -2.463 -8.276 1.00 0.00 C ATOM 391 C LYS A 26 -2.150 -1.301 -8.762 1.00 0.00 C ATOM 392 O LYS A 26 -2.125 -0.948 -9.945 1.00 0.00 O ATOM 393 CB LYS A 26 -4.518 -2.283 -8.617 1.00 0.00 C ATOM 394 CG LYS A 26 -5.058 -0.836 -8.628 1.00 0.00 C ATOM 395 CD LYS A 26 -5.422 -0.299 -7.238 1.00 0.00 C ATOM 396 CE LYS A 26 -4.194 -0.047 -6.364 1.00 0.00 C ATOM 397 NZ LYS A 26 -4.013 1.372 -5.960 1.00 0.00 N ATOM 0 H LYS A 26 -2.906 -1.648 -6.373 1.00 0.00 H new ATOM 0 HA LYS A 26 -2.751 -3.397 -8.777 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -4.700 -2.722 -9.598 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -5.100 -2.858 -7.897 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -4.309 -0.182 -9.075 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -5.940 -0.793 -9.266 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -5.982 0.630 -7.347 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -6.079 -1.011 -6.738 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -4.268 -0.662 -5.467 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -3.305 -0.376 -6.903 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -3.053 1.684 -6.209 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -4.709 1.965 -6.455 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -4.150 1.461 -4.933 1.00 0.00 H new ATOM 411 N CYS A 27 -1.441 -0.732 -7.770 1.00 0.00 N ATOM 412 CA CYS A 27 -0.562 0.390 -7.950 1.00 0.00 C ATOM 413 C CYS A 27 0.838 0.022 -7.491 1.00 0.00 C ATOM 414 O CYS A 27 1.044 -0.439 -6.335 1.00 0.00 O ATOM 415 CB CYS A 27 -1.075 1.598 -7.157 1.00 0.00 C ATOM 416 SG CYS A 27 0.014 3.042 -7.214 1.00 0.00 S ATOM 0 H CYS A 27 -1.479 -1.063 -6.806 1.00 0.00 H new ATOM 0 HA CYS A 27 -0.535 0.654 -9.007 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -2.055 1.881 -7.542 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -1.214 1.303 -6.117 1.00 0.00 H new ATOM 0 HG CYS A 27 -0.462 3.911 -8.055 1.00 0.00 H new ATOM 422 N PHE A 28 1.773 0.210 -8.430 1.00 0.00 N ATOM 423 CA PHE A 28 3.189 -0.036 -8.213 1.00 0.00 C ATOM 424 C PHE A 28 3.858 1.252 -7.778 1.00 0.00 C ATOM 425 O PHE A 28 3.782 2.264 -8.474 1.00 0.00 O ATOM 426 CB PHE A 28 3.860 -0.610 -9.481 1.00 0.00 C ATOM 427 CG PHE A 28 3.589 0.154 -10.756 1.00 0.00 C ATOM 428 CD1 PHE A 28 2.466 -0.123 -11.519 1.00 0.00 C ATOM 429 CD2 PHE A 28 4.460 1.142 -11.185 1.00 0.00 C ATOM 430 CE1 PHE A 28 2.218 0.572 -12.687 1.00 0.00 C ATOM 431 CE2 PHE A 28 4.216 1.841 -12.352 1.00 0.00 C ATOM 432 CZ PHE A 28 3.094 1.555 -13.104 1.00 0.00 C ATOM 0 H PHE A 28 1.557 0.541 -9.370 1.00 0.00 H new ATOM 0 HA PHE A 28 3.302 -0.782 -7.427 1.00 0.00 H new ATOM 0 HB2 PHE A 28 4.937 -0.643 -9.319 1.00 0.00 H new ATOM 0 HB3 PHE A 28 3.526 -1.639 -9.615 1.00 0.00 H new ATOM 0 HD1 PHE A 28 1.777 -0.890 -11.197 1.00 0.00 H new ATOM 0 HD2 PHE A 28 5.340 1.369 -10.601 1.00 0.00 H new ATOM 0 HE1 PHE A 28 1.340 0.347 -13.274 1.00 0.00 H new ATOM 0 HE2 PHE A 28 4.902 2.610 -12.675 1.00 0.00 H new ATOM 0 HZ PHE A 28 2.902 2.099 -14.017 1.00 0.00 H new ATOM 442 N VAL A 29 4.521 1.203 -6.633 1.00 0.00 N ATOM 443 CA VAL A 29 5.194 2.376 -6.109 1.00 0.00 C ATOM 444 C VAL A 29 6.690 2.284 -6.428 1.00 0.00 C ATOM 445 O VAL A 29 7.318 1.222 -6.276 1.00 0.00 O ATOM 446 CB VAL A 29 4.857 2.579 -4.597 1.00 0.00 C ATOM 447 CG1 VAL A 29 5.995 3.217 -3.797 1.00 0.00 C ATOM 448 CG2 VAL A 29 3.605 3.433 -4.470 1.00 0.00 C ATOM 0 H VAL A 29 4.606 0.368 -6.054 1.00 0.00 H new ATOM 0 HA VAL A 29 4.831 3.281 -6.597 1.00 0.00 H new ATOM 0 HB VAL A 29 4.698 1.587 -4.174 1.00 0.00 H new ATOM 0 HG11 VAL A 29 5.691 3.328 -2.756 1.00 0.00 H new ATOM 0 HG12 VAL A 29 6.879 2.581 -3.851 1.00 0.00 H new ATOM 0 HG13 VAL A 29 6.227 4.197 -4.213 1.00 0.00 H new ATOM 0 HG21 VAL A 29 3.368 3.576 -3.416 1.00 0.00 H new ATOM 0 HG22 VAL A 29 3.777 4.402 -4.938 1.00 0.00 H new ATOM 0 HG23 VAL A 29 2.772 2.933 -4.965 1.00 0.00 H new ATOM 458 N SER A 30 7.227 3.465 -6.786 1.00 0.00 N ATOM 459 CA SER A 30 8.602 3.692 -7.289 1.00 0.00 C ATOM 460 C SER A 30 9.632 2.613 -6.995 1.00 0.00 C ATOM 461 O SER A 30 10.222 2.540 -5.916 1.00 0.00 O ATOM 462 CB SER A 30 9.109 5.057 -6.804 1.00 0.00 C ATOM 463 OG SER A 30 8.817 5.258 -5.431 1.00 0.00 O ATOM 0 H SER A 30 6.691 4.331 -6.731 1.00 0.00 H new ATOM 0 HA SER A 30 8.500 3.658 -8.374 1.00 0.00 H new ATOM 0 HB2 SER A 30 10.185 5.125 -6.963 1.00 0.00 H new ATOM 0 HB3 SER A 30 8.649 5.849 -7.395 1.00 0.00 H new ATOM 0 HG SER A 30 9.503 4.823 -4.883 1.00 0.00 H new ATOM 469 N ALA A 31 9.841 1.791 -8.044 1.00 0.00 N ATOM 470 CA ALA A 31 10.818 0.706 -8.042 1.00 0.00 C ATOM 471 C ALA A 31 12.193 1.286 -8.313 1.00 0.00 C ATOM 472 O ALA A 31 13.192 0.785 -7.790 1.00 0.00 O ATOM 473 CB ALA A 31 10.454 -0.332 -9.070 1.00 0.00 C ATOM 0 H ALA A 31 9.326 1.871 -8.921 1.00 0.00 H new ATOM 0 HA ALA A 31 10.823 0.214 -7.069 1.00 0.00 H new ATOM 0 HB1 ALA A 31 11.193 -1.133 -9.055 1.00 0.00 H new ATOM 0 HB2 ALA A 31 9.470 -0.741 -8.841 1.00 0.00 H new ATOM 0 HB3 ALA A 31 10.436 0.126 -10.059 1.00 0.00 H new ATOM 479 N SER A 32 12.212 2.332 -9.180 1.00 0.00 N ATOM 480 CA SER A 32 13.412 3.130 -9.501 1.00 0.00 C ATOM 481 C SER A 32 14.010 2.853 -10.886 1.00 0.00 C ATOM 482 O SER A 32 13.996 3.735 -11.749 1.00 0.00 O ATOM 483 CB SER A 32 14.462 2.955 -8.412 1.00 0.00 C ATOM 484 OG SER A 32 15.233 4.131 -8.230 1.00 0.00 O ATOM 0 H SER A 32 11.379 2.644 -9.680 1.00 0.00 H new ATOM 0 HA SER A 32 13.081 4.168 -9.538 1.00 0.00 H new ATOM 0 HB2 SER A 32 13.973 2.692 -7.474 1.00 0.00 H new ATOM 0 HB3 SER A 32 15.120 2.126 -8.671 1.00 0.00 H new ATOM 0 HG SER A 32 15.993 3.936 -7.642 1.00 0.00 H new ATOM 490 N ASN A 33 14.534 1.641 -11.093 1.00 0.00 N ATOM 491 CA ASN A 33 15.145 1.258 -12.364 1.00 0.00 C ATOM 492 C ASN A 33 14.104 0.542 -13.199 1.00 0.00 C ATOM 493 O ASN A 33 14.231 0.407 -14.419 1.00 0.00 O ATOM 494 CB ASN A 33 16.358 0.368 -12.115 1.00 0.00 C ATOM 495 CG ASN A 33 17.650 1.157 -12.034 1.00 0.00 C ATOM 496 OD1 ASN A 33 18.056 1.597 -10.959 1.00 0.00 O ATOM 497 ND2 ASN A 33 18.304 1.341 -13.175 1.00 0.00 N ATOM 0 H ASN A 33 14.546 0.904 -10.388 1.00 0.00 H new ATOM 0 HA ASN A 33 15.490 2.142 -12.900 1.00 0.00 H new ATOM 0 HB2 ASN A 33 16.215 -0.185 -11.186 1.00 0.00 H new ATOM 0 HB3 ASN A 33 16.435 -0.368 -12.915 1.00 0.00 H new ATOM 0 HD21 ASN A 33 19.179 1.865 -13.182 1.00 0.00 H new ATOM 0 HD22 ASN A 33 17.931 0.959 -14.044 1.00 0.00 H new ATOM 504 N MET A 34 13.073 0.089 -12.487 1.00 0.00 N ATOM 505 CA MET A 34 11.931 -0.576 -13.063 1.00 0.00 C ATOM 506 C MET A 34 10.867 0.488 -13.382 1.00 0.00 C ATOM 507 O MET A 34 10.200 0.436 -14.415 1.00 0.00 O ATOM 508 CB MET A 34 11.421 -1.606 -12.053 1.00 0.00 C ATOM 509 CG MET A 34 10.296 -2.516 -12.531 1.00 0.00 C ATOM 510 SD MET A 34 10.657 -3.351 -14.085 1.00 0.00 S ATOM 511 CE MET A 34 9.826 -2.249 -15.220 1.00 0.00 C ATOM 0 H MET A 34 13.018 0.182 -11.473 1.00 0.00 H new ATOM 0 HA MET A 34 12.183 -1.096 -13.987 1.00 0.00 H new ATOM 0 HB2 MET A 34 12.260 -2.230 -11.747 1.00 0.00 H new ATOM 0 HB3 MET A 34 11.078 -1.075 -11.165 1.00 0.00 H new ATOM 0 HG2 MET A 34 10.094 -3.264 -11.764 1.00 0.00 H new ATOM 0 HG3 MET A 34 9.387 -1.926 -12.648 1.00 0.00 H new ATOM 0 HE1 MET A 34 9.355 -2.830 -16.013 1.00 0.00 H new ATOM 0 HE2 MET A 34 9.064 -1.682 -14.685 1.00 0.00 H new ATOM 0 HE3 MET A 34 10.551 -1.561 -15.656 1.00 0.00 H new ATOM 521 N ARG A 35 10.756 1.471 -12.480 1.00 0.00 N ATOM 522 CA ARG A 35 9.826 2.570 -12.640 1.00 0.00 C ATOM 523 C ARG A 35 10.636 3.849 -12.683 1.00 0.00 C ATOM 524 O ARG A 35 11.394 4.145 -11.754 1.00 0.00 O ATOM 525 CB ARG A 35 8.781 2.565 -11.491 1.00 0.00 C ATOM 526 CG ARG A 35 8.326 3.930 -10.951 1.00 0.00 C ATOM 527 CD ARG A 35 7.466 4.706 -11.934 1.00 0.00 C ATOM 528 NE ARG A 35 7.115 6.034 -11.409 1.00 0.00 N ATOM 529 CZ ARG A 35 7.694 7.186 -11.787 1.00 0.00 C ATOM 530 NH1 ARG A 35 8.659 7.203 -12.701 1.00 0.00 N ATOM 531 NH2 ARG A 35 7.305 8.328 -11.236 1.00 0.00 N ATOM 0 H ARG A 35 11.311 1.517 -11.625 1.00 0.00 H new ATOM 0 HA ARG A 35 9.258 2.477 -13.566 1.00 0.00 H new ATOM 0 HB2 ARG A 35 7.899 2.028 -11.839 1.00 0.00 H new ATOM 0 HB3 ARG A 35 9.195 1.994 -10.660 1.00 0.00 H new ATOM 0 HG2 ARG A 35 7.766 3.780 -10.028 1.00 0.00 H new ATOM 0 HG3 ARG A 35 9.204 4.524 -10.698 1.00 0.00 H new ATOM 0 HD2 ARG A 35 7.999 4.816 -12.878 1.00 0.00 H new ATOM 0 HD3 ARG A 35 6.556 4.145 -12.145 1.00 0.00 H new ATOM 0 HE ARG A 35 6.378 6.084 -10.706 1.00 0.00 H new ATOM 0 HH11 ARG A 35 8.972 6.331 -13.128 1.00 0.00 H new ATOM 0 HH12 ARG A 35 9.086 8.088 -12.975 1.00 0.00 H new ATOM 0 HH21 ARG A 35 6.570 8.329 -10.529 1.00 0.00 H new ATOM 0 HH22 ARG A 35 7.741 9.205 -11.519 1.00 0.00 H new ATOM 545 N ASN A 36 10.440 4.604 -13.761 1.00 0.00 N ATOM 546 CA ASN A 36 11.150 5.867 -14.000 1.00 0.00 C ATOM 547 C ASN A 36 10.811 6.430 -15.398 1.00 0.00 C ATOM 548 O ASN A 36 10.973 7.630 -15.637 1.00 0.00 O ATOM 549 CB ASN A 36 12.686 5.683 -13.853 1.00 0.00 C ATOM 550 CG ASN A 36 13.459 6.994 -13.874 1.00 0.00 C ATOM 551 OD1 ASN A 36 13.689 7.610 -12.833 1.00 0.00 O ATOM 552 ND2 ASN A 36 13.862 7.425 -15.064 1.00 0.00 N ATOM 0 H ASN A 36 9.781 4.359 -14.500 1.00 0.00 H new ATOM 0 HA ASN A 36 10.818 6.581 -13.247 1.00 0.00 H new ATOM 0 HB2 ASN A 36 12.894 5.163 -12.918 1.00 0.00 H new ATOM 0 HB3 ASN A 36 13.046 5.045 -14.660 1.00 0.00 H new ATOM 0 HD21 ASN A 36 14.384 8.298 -15.140 1.00 0.00 H new ATOM 0 HD22 ASN A 36 13.650 6.883 -15.902 1.00 0.00 H new ATOM 559 N ALA A 37 10.341 5.554 -16.310 1.00 0.00 N ATOM 560 CA ALA A 37 10.006 5.950 -17.683 1.00 0.00 C ATOM 561 C ALA A 37 8.551 6.425 -17.845 1.00 0.00 C ATOM 562 O ALA A 37 8.327 7.565 -18.262 1.00 0.00 O ATOM 563 CB ALA A 37 10.304 4.802 -18.641 1.00 0.00 C ATOM 0 H ALA A 37 10.186 4.565 -16.114 1.00 0.00 H new ATOM 0 HA ALA A 37 10.633 6.808 -17.926 1.00 0.00 H new ATOM 0 HB1 ALA A 37 10.053 5.103 -19.658 1.00 0.00 H new ATOM 0 HB2 ALA A 37 11.363 4.549 -18.588 1.00 0.00 H new ATOM 0 HB3 ALA A 37 9.709 3.932 -18.363 1.00 0.00 H new ATOM 569 N ALA A 38 7.567 5.562 -17.518 1.00 0.00 N ATOM 570 CA ALA A 38 6.148 5.923 -17.669 1.00 0.00 C ATOM 571 C ALA A 38 5.579 6.544 -16.395 1.00 0.00 C ATOM 572 O ALA A 38 4.974 7.619 -16.448 1.00 0.00 O ATOM 573 CB ALA A 38 5.336 4.700 -18.082 1.00 0.00 C ATOM 0 H ALA A 38 7.728 4.623 -17.153 1.00 0.00 H new ATOM 0 HA ALA A 38 6.079 6.677 -18.453 1.00 0.00 H new ATOM 0 HB1 ALA A 38 4.288 4.979 -18.191 1.00 0.00 H new ATOM 0 HB2 ALA A 38 5.710 4.319 -19.032 1.00 0.00 H new ATOM 0 HB3 ALA A 38 5.429 3.927 -17.319 1.00 0.00 H new ATOM 579 N GLY A 39 5.773 5.866 -15.252 1.00 0.00 N ATOM 580 CA GLY A 39 5.314 6.383 -13.971 1.00 0.00 C ATOM 581 C GLY A 39 3.810 6.418 -13.803 1.00 0.00 C ATOM 582 O GLY A 39 3.308 7.156 -12.950 1.00 0.00 O ATOM 0 H GLY A 39 6.244 4.963 -15.198 1.00 0.00 H new ATOM 0 HA2 GLY A 39 5.740 5.773 -13.175 1.00 0.00 H new ATOM 0 HA3 GLY A 39 5.704 7.393 -13.842 1.00 0.00 H new ATOM 586 N GLN A 40 3.086 5.630 -14.605 1.00 0.00 N ATOM 587 CA GLN A 40 1.636 5.598 -14.502 1.00 0.00 C ATOM 588 C GLN A 40 1.196 4.587 -13.455 1.00 0.00 C ATOM 589 O GLN A 40 0.854 3.433 -13.740 1.00 0.00 O ATOM 590 CB GLN A 40 0.993 5.343 -15.857 1.00 0.00 C ATOM 591 CG GLN A 40 0.441 6.616 -16.474 1.00 0.00 C ATOM 592 CD GLN A 40 -0.441 6.373 -17.692 1.00 0.00 C ATOM 593 OE1 GLN A 40 -1.150 5.367 -17.784 1.00 0.00 O ATOM 594 NE2 GLN A 40 -0.399 7.301 -18.641 1.00 0.00 N ATOM 0 H GLN A 40 3.479 5.017 -15.320 1.00 0.00 H new ATOM 0 HA GLN A 40 1.291 6.578 -14.172 1.00 0.00 H new ATOM 0 HB2 GLN A 40 1.729 4.903 -16.530 1.00 0.00 H new ATOM 0 HB3 GLN A 40 0.189 4.616 -15.745 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -0.135 7.154 -15.721 1.00 0.00 H new ATOM 0 HG3 GLN A 40 1.272 7.260 -16.761 1.00 0.00 H new ATOM 0 HE21 GLN A 40 0.200 8.119 -18.528 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -0.966 7.196 -19.483 1.00 0.00 H new ATOM 603 N PHE A 41 1.246 5.079 -12.227 1.00 0.00 N ATOM 604 CA PHE A 41 0.886 4.333 -11.032 1.00 0.00 C ATOM 605 C PHE A 41 0.046 5.224 -10.106 1.00 0.00 C ATOM 606 O PHE A 41 -0.849 4.747 -9.390 1.00 0.00 O ATOM 607 CB PHE A 41 2.173 3.843 -10.342 1.00 0.00 C ATOM 608 CG PHE A 41 2.975 4.917 -9.642 1.00 0.00 C ATOM 609 CD1 PHE A 41 2.855 5.106 -8.274 1.00 0.00 C ATOM 610 CD2 PHE A 41 3.841 5.733 -10.353 1.00 0.00 C ATOM 611 CE1 PHE A 41 3.583 6.088 -7.629 1.00 0.00 C ATOM 612 CE2 PHE A 41 4.570 6.716 -9.713 1.00 0.00 C ATOM 613 CZ PHE A 41 4.441 6.894 -8.350 1.00 0.00 C ATOM 0 H PHE A 41 1.546 6.034 -12.029 1.00 0.00 H new ATOM 0 HA PHE A 41 0.284 3.462 -11.290 1.00 0.00 H new ATOM 0 HB2 PHE A 41 1.907 3.077 -9.613 1.00 0.00 H new ATOM 0 HB3 PHE A 41 2.808 3.366 -11.089 1.00 0.00 H new ATOM 0 HD1 PHE A 41 2.185 4.478 -7.705 1.00 0.00 H new ATOM 0 HD2 PHE A 41 3.947 5.599 -11.419 1.00 0.00 H new ATOM 0 HE1 PHE A 41 3.481 6.225 -6.563 1.00 0.00 H new ATOM 0 HE2 PHE A 41 5.241 7.345 -10.279 1.00 0.00 H new ATOM 0 HZ PHE A 41 5.010 7.663 -7.849 1.00 0.00 H new ATOM 623 N ILE A 42 0.350 6.540 -10.144 1.00 0.00 N ATOM 624 CA ILE A 42 -0.357 7.555 -9.354 1.00 0.00 C ATOM 625 C ILE A 42 -1.862 7.562 -9.647 1.00 0.00 C ATOM 626 O ILE A 42 -2.646 8.077 -8.845 1.00 0.00 O ATOM 627 CB ILE A 42 0.226 8.988 -9.565 1.00 0.00 C ATOM 628 CG1 ILE A 42 0.497 9.307 -11.052 1.00 0.00 C ATOM 629 CG2 ILE A 42 1.502 9.159 -8.755 1.00 0.00 C ATOM 630 CD1 ILE A 42 -0.680 9.937 -11.770 1.00 0.00 C ATOM 0 H ILE A 42 1.095 6.922 -10.727 1.00 0.00 H new ATOM 0 HA ILE A 42 -0.204 7.277 -8.311 1.00 0.00 H new ATOM 0 HB ILE A 42 -0.529 9.693 -9.218 1.00 0.00 H new ATOM 0 HG12 ILE A 42 1.353 9.979 -11.119 1.00 0.00 H new ATOM 0 HG13 ILE A 42 0.773 8.387 -11.566 1.00 0.00 H new ATOM 0 HG21 ILE A 42 1.900 10.162 -8.910 1.00 0.00 H new ATOM 0 HG22 ILE A 42 1.283 9.015 -7.697 1.00 0.00 H new ATOM 0 HG23 ILE A 42 2.239 8.423 -9.077 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -0.411 10.131 -12.808 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -1.532 9.258 -11.736 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -0.944 10.875 -11.282 1.00 0.00 H new ATOM 642 N GLU A 43 -2.259 6.988 -10.807 1.00 0.00 N ATOM 643 CA GLU A 43 -3.672 6.901 -11.179 1.00 0.00 C ATOM 644 C GLU A 43 -4.431 6.057 -10.148 1.00 0.00 C ATOM 645 O GLU A 43 -5.327 6.571 -9.461 1.00 0.00 O ATOM 646 CB GLU A 43 -3.832 6.308 -12.592 1.00 0.00 C ATOM 647 CG GLU A 43 -4.351 7.307 -13.613 1.00 0.00 C ATOM 648 CD GLU A 43 -4.428 6.725 -15.010 1.00 0.00 C ATOM 649 OE1 GLU A 43 -3.430 6.831 -15.754 1.00 0.00 O ATOM 650 OE2 GLU A 43 -5.486 6.161 -15.361 1.00 0.00 O ATOM 0 H GLU A 43 -1.618 6.584 -11.490 1.00 0.00 H new ATOM 0 HA GLU A 43 -4.093 7.906 -11.190 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -2.869 5.925 -12.928 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -4.514 5.459 -12.546 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -5.341 7.649 -13.311 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -3.701 8.182 -13.623 1.00 0.00 H new ATOM 657 N ALA A 44 -4.042 4.771 -10.006 1.00 0.00 N ATOM 658 CA ALA A 44 -4.667 3.884 -9.025 1.00 0.00 C ATOM 659 C ALA A 44 -4.331 4.303 -7.592 1.00 0.00 C ATOM 660 O ALA A 44 -5.143 4.106 -6.683 1.00 0.00 O ATOM 661 CB ALA A 44 -4.233 2.452 -9.258 1.00 0.00 C ATOM 0 H ALA A 44 -3.303 4.335 -10.558 1.00 0.00 H new ATOM 0 HA ALA A 44 -5.747 3.960 -9.154 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -4.706 1.804 -8.520 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -4.530 2.140 -10.259 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -3.150 2.380 -9.162 1.00 0.00 H new ATOM 667 N ALA A 45 -3.128 4.881 -7.395 1.00 0.00 N ATOM 668 CA ALA A 45 -2.700 5.352 -6.068 1.00 0.00 C ATOM 669 C ALA A 45 -3.622 6.462 -5.556 1.00 0.00 C ATOM 670 O ALA A 45 -4.021 6.460 -4.386 1.00 0.00 O ATOM 671 CB ALA A 45 -1.259 5.843 -6.107 1.00 0.00 C ATOM 0 H ALA A 45 -2.442 5.031 -8.135 1.00 0.00 H new ATOM 0 HA ALA A 45 -2.762 4.508 -5.380 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -0.965 6.186 -5.115 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -0.605 5.028 -6.418 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -1.174 6.667 -6.816 1.00 0.00 H new ATOM 677 N TYR A 46 -3.980 7.388 -6.465 1.00 0.00 N ATOM 678 CA TYR A 46 -4.867 8.510 -6.142 1.00 0.00 C ATOM 679 C TYR A 46 -6.311 8.029 -5.978 1.00 0.00 C ATOM 680 O TYR A 46 -7.033 8.499 -5.096 1.00 0.00 O ATOM 681 CB TYR A 46 -4.793 9.573 -7.240 1.00 0.00 C ATOM 682 CG TYR A 46 -4.927 10.989 -6.726 1.00 0.00 C ATOM 683 CD1 TYR A 46 -6.172 11.596 -6.621 1.00 0.00 C ATOM 684 CD2 TYR A 46 -3.808 11.719 -6.346 1.00 0.00 C ATOM 685 CE1 TYR A 46 -6.298 12.890 -6.153 1.00 0.00 C ATOM 686 CE2 TYR A 46 -3.925 13.013 -5.876 1.00 0.00 C ATOM 687 CZ TYR A 46 -5.172 13.594 -5.781 1.00 0.00 C ATOM 688 OH TYR A 46 -5.294 14.882 -5.314 1.00 0.00 O ATOM 0 H TYR A 46 -3.663 7.376 -7.435 1.00 0.00 H new ATOM 0 HA TYR A 46 -4.538 8.947 -5.199 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -3.843 9.475 -7.765 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -5.581 9.385 -7.969 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -7.056 11.047 -6.910 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -2.830 11.267 -6.419 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -7.273 13.348 -6.079 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -3.045 13.566 -5.585 1.00 0.00 H new ATOM 0 HH TYR A 46 -4.407 15.236 -5.094 1.00 0.00 H new ATOM 698 N ALA A 47 -6.710 7.069 -6.831 1.00 0.00 N ATOM 699 CA ALA A 47 -8.060 6.492 -6.798 1.00 0.00 C ATOM 700 C ALA A 47 -8.319 5.701 -5.515 1.00 0.00 C ATOM 701 O ALA A 47 -9.362 5.876 -4.873 1.00 0.00 O ATOM 702 CB ALA A 47 -8.265 5.592 -8.001 1.00 0.00 C ATOM 0 H ALA A 47 -6.109 6.676 -7.556 1.00 0.00 H new ATOM 0 HA ALA A 47 -8.769 7.320 -6.825 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -9.268 5.167 -7.971 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -8.145 6.173 -8.915 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -7.530 4.788 -7.983 1.00 0.00 H new ATOM 708 N LYS A 48 -7.357 4.842 -5.134 1.00 0.00 N ATOM 709 CA LYS A 48 -7.494 4.023 -3.927 1.00 0.00 C ATOM 710 C LYS A 48 -7.339 4.868 -2.670 1.00 0.00 C ATOM 711 O LYS A 48 -8.039 4.635 -1.684 1.00 0.00 O ATOM 712 CB LYS A 48 -6.533 2.838 -3.940 1.00 0.00 C ATOM 713 CG LYS A 48 -6.892 1.785 -4.993 1.00 0.00 C ATOM 714 CD LYS A 48 -8.115 0.932 -4.624 1.00 0.00 C ATOM 715 CE LYS A 48 -9.443 1.478 -5.171 1.00 0.00 C ATOM 716 NZ LYS A 48 -9.277 2.354 -6.371 1.00 0.00 N ATOM 0 H LYS A 48 -6.484 4.701 -5.643 1.00 0.00 H new ATOM 0 HA LYS A 48 -8.503 3.611 -3.919 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -5.522 3.200 -4.127 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -6.528 2.371 -2.955 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -7.082 2.285 -5.943 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -6.035 1.129 -5.144 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -7.967 -0.080 -5.001 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -8.182 0.861 -3.538 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -10.092 0.641 -5.428 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -9.946 2.042 -4.386 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -10.211 2.674 -6.699 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -8.696 3.179 -6.121 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -8.809 1.818 -7.130 1.00 0.00 H new ATOM 730 N ALA A 49 -6.403 5.838 -2.700 1.00 0.00 N ATOM 731 CA ALA A 49 -6.241 6.790 -1.586 1.00 0.00 C ATOM 732 C ALA A 49 -7.569 7.534 -1.378 1.00 0.00 C ATOM 733 O ALA A 49 -8.035 7.727 -0.243 1.00 0.00 O ATOM 734 CB ALA A 49 -5.110 7.770 -1.871 1.00 0.00 C ATOM 0 H ALA A 49 -5.755 5.981 -3.475 1.00 0.00 H new ATOM 0 HA ALA A 49 -5.980 6.248 -0.677 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -5.009 8.462 -1.035 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -4.177 7.221 -2.002 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -5.333 8.329 -2.780 1.00 0.00 H new ATOM 740 N LEU A 50 -8.196 7.899 -2.515 1.00 0.00 N ATOM 741 CA LEU A 50 -9.499 8.566 -2.526 1.00 0.00 C ATOM 742 C LEU A 50 -10.591 7.591 -2.066 1.00 0.00 C ATOM 743 O LEU A 50 -11.603 8.010 -1.497 1.00 0.00 O ATOM 744 CB LEU A 50 -9.813 9.113 -3.937 1.00 0.00 C ATOM 745 CG LEU A 50 -9.579 10.627 -4.190 1.00 0.00 C ATOM 746 CD1 LEU A 50 -10.576 11.487 -3.419 1.00 0.00 C ATOM 747 CD2 LEU A 50 -8.146 11.047 -3.862 1.00 0.00 C ATOM 0 H LEU A 50 -7.809 7.737 -3.445 1.00 0.00 H new ATOM 0 HA LEU A 50 -9.471 9.408 -1.834 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -9.211 8.556 -4.655 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -10.858 8.893 -4.158 1.00 0.00 H new ATOM 0 HG LEU A 50 -9.740 10.792 -5.255 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -10.381 12.540 -3.621 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -11.590 11.239 -3.733 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -10.471 11.297 -2.351 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -8.027 12.113 -4.053 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -7.938 10.841 -2.812 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -7.451 10.486 -4.486 1.00 0.00 H new ATOM 759 N ARG A 51 -10.370 6.281 -2.324 1.00 0.00 N ATOM 760 CA ARG A 51 -11.299 5.228 -1.884 1.00 0.00 C ATOM 761 C ARG A 51 -11.153 4.998 -0.376 1.00 0.00 C ATOM 762 O ARG A 51 -12.117 4.632 0.302 1.00 0.00 O ATOM 763 CB ARG A 51 -11.079 3.921 -2.648 1.00 0.00 C ATOM 764 CG ARG A 51 -11.833 3.848 -3.979 1.00 0.00 C ATOM 765 CD ARG A 51 -12.804 2.675 -3.981 1.00 0.00 C ATOM 766 NE ARG A 51 -13.855 2.787 -4.993 1.00 0.00 N ATOM 767 CZ ARG A 51 -15.086 2.264 -4.862 1.00 0.00 C ATOM 768 NH1 ARG A 51 -15.438 1.600 -3.761 1.00 0.00 N ATOM 769 NH2 ARG A 51 -15.954 2.373 -5.854 1.00 0.00 N ATOM 0 H ARG A 51 -9.557 5.934 -2.834 1.00 0.00 H new ATOM 0 HA ARG A 51 -12.313 5.565 -2.100 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -10.013 3.797 -2.838 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -11.390 3.087 -2.019 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -12.377 4.778 -4.147 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -11.124 3.741 -4.800 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -12.247 1.753 -4.148 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -13.266 2.594 -2.997 1.00 0.00 H new ATOM 0 HE ARG A 51 -13.640 3.294 -5.852 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -14.769 1.482 -3.001 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -16.377 1.210 -3.679 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -15.688 2.852 -6.714 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -16.889 1.978 -5.759 1.00 0.00 H new ATOM 783 N ILE A 52 -9.928 5.218 0.141 1.00 0.00 N ATOM 784 CA ILE A 52 -9.655 5.119 1.581 1.00 0.00 C ATOM 785 C ILE A 52 -10.344 6.309 2.256 1.00 0.00 C ATOM 786 O ILE A 52 -10.756 6.235 3.417 1.00 0.00 O ATOM 787 CB ILE A 52 -8.124 5.096 1.889 1.00 0.00 C ATOM 788 CG1 ILE A 52 -7.509 3.784 1.388 1.00 0.00 C ATOM 789 CG2 ILE A 52 -7.837 5.263 3.386 1.00 0.00 C ATOM 790 CD1 ILE A 52 -6.187 3.964 0.677 1.00 0.00 C ATOM 0 H ILE A 52 -9.114 5.465 -0.421 1.00 0.00 H new ATOM 0 HA ILE A 52 -10.046 4.178 1.969 1.00 0.00 H new ATOM 0 HB ILE A 52 -7.672 5.940 1.368 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -7.367 3.113 2.235 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -8.212 3.299 0.711 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -6.760 5.241 3.555 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -8.239 6.216 3.729 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -8.308 4.450 3.940 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -5.814 2.993 0.352 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -6.325 4.609 -0.191 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -5.467 4.420 1.357 1.00 0.00 H new ATOM 802 N GLU A 53 -10.440 7.411 1.492 1.00 0.00 N ATOM 803 CA GLU A 53 -11.147 8.613 1.932 1.00 0.00 C ATOM 804 C GLU A 53 -12.655 8.431 1.721 1.00 0.00 C ATOM 805 O GLU A 53 -13.448 9.108 2.352 1.00 0.00 O ATOM 806 CB GLU A 53 -10.635 9.856 1.191 1.00 0.00 C ATOM 807 CG GLU A 53 -9.227 10.291 1.593 1.00 0.00 C ATOM 808 CD GLU A 53 -9.198 11.076 2.894 1.00 0.00 C ATOM 809 OE1 GLU A 53 -9.311 12.319 2.840 1.00 0.00 O ATOM 810 OE2 GLU A 53 -9.061 10.446 3.964 1.00 0.00 O ATOM 0 H GLU A 53 -10.031 7.488 0.561 1.00 0.00 H new ATOM 0 HA GLU A 53 -10.955 8.764 2.994 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -10.649 9.658 0.119 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -11.323 10.682 1.372 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -8.595 9.409 1.693 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -8.800 10.901 0.797 1.00 0.00 H new ATOM 817 N LEU A 54 -13.041 7.547 0.780 1.00 0.00 N ATOM 818 CA LEU A 54 -14.451 7.199 0.564 1.00 0.00 C ATOM 819 C LEU A 54 -14.933 6.331 1.717 1.00 0.00 C ATOM 820 O LEU A 54 -16.103 6.364 2.105 1.00 0.00 O ATOM 821 CB LEU A 54 -14.641 6.521 -0.827 1.00 0.00 C ATOM 822 CG LEU A 54 -14.721 4.956 -0.972 1.00 0.00 C ATOM 823 CD1 LEU A 54 -15.751 4.276 -0.065 1.00 0.00 C ATOM 824 CD2 LEU A 54 -15.056 4.606 -2.409 1.00 0.00 C ATOM 0 H LEU A 54 -12.392 7.063 0.159 1.00 0.00 H new ATOM 0 HA LEU A 54 -15.063 8.101 0.549 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -15.558 6.927 -1.255 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -13.818 6.857 -1.459 1.00 0.00 H new ATOM 0 HG LEU A 54 -13.743 4.585 -0.666 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -15.732 3.200 -0.236 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -15.509 4.482 0.978 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -16.745 4.662 -0.290 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -15.113 3.523 -2.516 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -16.016 5.048 -2.677 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -14.281 4.995 -3.069 1.00 0.00 H new ATOM 836 N ALA A 55 -13.983 5.549 2.232 1.00 0.00 N ATOM 837 CA ALA A 55 -14.172 4.647 3.381 1.00 0.00 C ATOM 838 C ALA A 55 -14.812 5.359 4.578 1.00 0.00 C ATOM 839 O ALA A 55 -15.299 4.727 5.520 1.00 0.00 O ATOM 840 CB ALA A 55 -12.836 4.063 3.793 1.00 0.00 C ATOM 0 H ALA A 55 -13.035 5.521 1.856 1.00 0.00 H new ATOM 0 HA ALA A 55 -14.851 3.854 3.068 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -12.977 3.396 4.643 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -12.411 3.504 2.960 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -12.157 4.869 4.073 1.00 0.00 H new ATOM 846 N GLN A 56 -14.789 6.680 4.495 1.00 0.00 N ATOM 847 CA GLN A 56 -15.337 7.572 5.503 1.00 0.00 C ATOM 848 C GLN A 56 -16.675 8.138 5.075 1.00 0.00 C ATOM 849 O GLN A 56 -17.039 9.251 5.462 1.00 0.00 O ATOM 850 CB GLN A 56 -14.316 8.669 5.889 1.00 0.00 C ATOM 851 CG GLN A 56 -13.827 9.538 4.749 1.00 0.00 C ATOM 852 CD GLN A 56 -13.134 10.799 5.226 1.00 0.00 C ATOM 853 OE1 GLN A 56 -13.768 11.836 5.418 1.00 0.00 O ATOM 854 NE2 GLN A 56 -11.823 10.715 5.421 1.00 0.00 N ATOM 0 H GLN A 56 -14.377 7.174 3.703 1.00 0.00 H new ATOM 0 HA GLN A 56 -15.527 6.990 6.405 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -14.769 9.312 6.644 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -13.454 8.190 6.353 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -13.139 8.963 4.129 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -14.673 9.810 4.118 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -11.337 9.835 5.249 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -11.302 11.531 5.743 1.00 0.00 H new ATOM 863 N LEU A 57 -17.402 7.353 4.263 1.00 0.00 N ATOM 864 CA LEU A 57 -18.729 7.725 3.790 1.00 0.00 C ATOM 865 C LEU A 57 -19.657 7.987 4.950 1.00 0.00 C ATOM 866 O LEU A 57 -20.437 7.132 5.396 1.00 0.00 O ATOM 867 CB LEU A 57 -19.338 6.667 2.854 1.00 0.00 C ATOM 868 CG LEU A 57 -20.857 6.821 2.555 1.00 0.00 C ATOM 869 CD1 LEU A 57 -21.136 7.901 1.513 1.00 0.00 C ATOM 870 CD2 LEU A 57 -21.466 5.490 2.139 1.00 0.00 C ATOM 0 H LEU A 57 -17.080 6.447 3.922 1.00 0.00 H new ATOM 0 HA LEU A 57 -18.609 8.641 3.212 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -18.797 6.691 1.908 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -19.171 5.683 3.292 1.00 0.00 H new ATOM 0 HG LEU A 57 -21.334 7.144 3.481 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -22.210 7.970 1.339 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -20.765 8.860 1.874 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -20.633 7.645 0.580 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -22.528 5.624 1.935 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -20.967 5.127 1.240 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -21.339 4.765 2.943 1.00 0.00 H new ATOM 882 N VAL A 58 -19.492 9.174 5.460 1.00 0.00 N ATOM 883 CA VAL A 58 -20.334 9.685 6.487 1.00 0.00 C ATOM 884 C VAL A 58 -21.512 10.281 5.723 1.00 0.00 C ATOM 885 O VAL A 58 -22.613 10.447 6.255 1.00 0.00 O ATOM 886 CB VAL A 58 -19.586 10.742 7.350 1.00 0.00 C ATOM 887 CG1 VAL A 58 -20.496 11.378 8.401 1.00 0.00 C ATOM 888 CG2 VAL A 58 -18.365 10.118 8.026 1.00 0.00 C ATOM 0 H VAL A 58 -18.757 9.817 5.166 1.00 0.00 H new ATOM 0 HA VAL A 58 -20.655 8.926 7.200 1.00 0.00 H new ATOM 0 HB VAL A 58 -19.260 11.532 6.673 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -19.930 12.109 8.978 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -21.331 11.874 7.907 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -20.877 10.605 9.068 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -17.855 10.873 8.625 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -18.685 9.299 8.670 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -17.683 9.737 7.266 1.00 0.00 H new ATOM 898 N GLN A 59 -21.220 10.600 4.430 1.00 0.00 N ATOM 899 CA GLN A 59 -22.234 11.158 3.512 1.00 0.00 C ATOM 900 C GLN A 59 -21.864 11.120 2.008 1.00 0.00 C ATOM 901 O GLN A 59 -22.632 10.580 1.206 1.00 0.00 O ATOM 902 CB GLN A 59 -22.567 12.614 3.907 1.00 0.00 C ATOM 903 CG GLN A 59 -21.333 13.428 4.322 1.00 0.00 C ATOM 904 CD GLN A 59 -21.314 14.856 3.780 1.00 0.00 C ATOM 905 OE1 GLN A 59 -20.249 15.392 3.473 1.00 0.00 O ATOM 906 NE2 GLN A 59 -22.482 15.492 3.683 1.00 0.00 N ATOM 0 H GLN A 59 -20.298 10.479 4.011 1.00 0.00 H new ATOM 0 HA GLN A 59 -23.097 10.501 3.626 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -23.054 13.109 3.067 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -23.282 12.606 4.730 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -21.284 13.464 5.410 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -20.437 12.909 3.980 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -23.345 15.016 3.946 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -22.512 16.454 3.345 1.00 0.00 H new ATOM 915 N VAL A 60 -20.700 11.686 1.632 1.00 0.00 N ATOM 916 CA VAL A 60 -20.298 11.778 0.206 1.00 0.00 C ATOM 917 C VAL A 60 -18.980 11.081 -0.132 1.00 0.00 C ATOM 918 O VAL A 60 -18.647 10.870 -1.314 1.00 0.00 O ATOM 919 CB VAL A 60 -20.201 13.250 -0.275 1.00 0.00 C ATOM 920 CG1 VAL A 60 -21.575 13.775 -0.658 1.00 0.00 C ATOM 921 CG2 VAL A 60 -19.553 14.166 0.767 1.00 0.00 C ATOM 0 H VAL A 60 -20.025 12.084 2.285 1.00 0.00 H new ATOM 0 HA VAL A 60 -21.096 11.252 -0.318 1.00 0.00 H new ATOM 0 HB VAL A 60 -19.555 13.256 -1.153 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -21.489 14.809 -0.993 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -21.986 13.166 -1.463 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -22.237 13.728 0.207 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -19.510 15.184 0.380 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -20.144 14.151 1.683 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -18.543 13.816 0.981 1.00 0.00 H new ATOM 931 N ASP A 61 -18.214 10.757 0.896 1.00 0.00 N ATOM 932 CA ASP A 61 -16.899 10.142 0.717 1.00 0.00 C ATOM 933 C ASP A 61 -16.944 8.926 -0.217 1.00 0.00 C ATOM 934 O ASP A 61 -16.212 8.884 -1.205 1.00 0.00 O ATOM 935 CB ASP A 61 -16.271 9.800 2.074 1.00 0.00 C ATOM 936 CG ASP A 61 -16.441 10.918 3.092 1.00 0.00 C ATOM 937 OD1 ASP A 61 -15.470 11.670 3.318 1.00 0.00 O ATOM 938 OD2 ASP A 61 -17.550 11.047 3.653 1.00 0.00 O ATOM 0 H ASP A 61 -18.477 10.908 1.870 1.00 0.00 H new ATOM 0 HA ASP A 61 -16.259 10.876 0.226 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -16.725 8.888 2.461 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -15.209 9.595 1.938 1.00 0.00 H new ATOM 943 N LYS A 62 -17.817 7.955 0.060 1.00 0.00 N ATOM 944 CA LYS A 62 -17.937 6.755 -0.813 1.00 0.00 C ATOM 945 C LYS A 62 -18.086 7.122 -2.309 1.00 0.00 C ATOM 946 O LYS A 62 -17.544 6.427 -3.183 1.00 0.00 O ATOM 947 CB LYS A 62 -19.126 5.877 -0.383 1.00 0.00 C ATOM 948 CG LYS A 62 -19.888 5.195 -1.531 1.00 0.00 C ATOM 949 CD LYS A 62 -21.363 5.603 -1.565 1.00 0.00 C ATOM 950 CE LYS A 62 -21.584 7.023 -2.083 1.00 0.00 C ATOM 951 NZ LYS A 62 -21.906 7.037 -3.537 1.00 0.00 N ATOM 0 H LYS A 62 -18.446 7.961 0.863 1.00 0.00 H new ATOM 0 HA LYS A 62 -17.008 6.198 -0.694 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -18.761 5.107 0.297 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -19.827 6.493 0.180 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -19.419 5.453 -2.481 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -19.814 4.113 -1.422 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -21.912 4.904 -2.196 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -21.779 5.521 -0.561 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -22.396 7.491 -1.526 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -20.689 7.619 -1.903 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -22.262 7.977 -3.805 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -21.048 6.823 -4.085 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -22.633 6.321 -3.738 1.00 0.00 H new ATOM 965 N VAL A 63 -18.785 8.235 -2.585 1.00 0.00 N ATOM 966 CA VAL A 63 -19.047 8.663 -3.959 1.00 0.00 C ATOM 967 C VAL A 63 -17.797 9.236 -4.625 1.00 0.00 C ATOM 968 O VAL A 63 -17.491 8.920 -5.788 1.00 0.00 O ATOM 969 CB VAL A 63 -20.245 9.662 -4.036 1.00 0.00 C ATOM 970 CG1 VAL A 63 -19.902 11.088 -3.608 1.00 0.00 C ATOM 971 CG2 VAL A 63 -20.815 9.661 -5.436 1.00 0.00 C ATOM 0 H VAL A 63 -19.176 8.851 -1.872 1.00 0.00 H new ATOM 0 HA VAL A 63 -19.331 7.772 -4.519 1.00 0.00 H new ATOM 0 HB VAL A 63 -20.985 9.309 -3.318 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -20.789 11.716 -3.691 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -19.556 11.084 -2.574 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -19.116 11.482 -4.252 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -21.651 10.358 -5.489 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -20.043 9.965 -6.143 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -21.162 8.659 -5.687 1.00 0.00 H new ATOM 981 N ARG A 64 -17.070 10.059 -3.874 1.00 0.00 N ATOM 982 CA ARG A 64 -15.842 10.670 -4.412 1.00 0.00 C ATOM 983 C ARG A 64 -14.789 9.589 -4.709 1.00 0.00 C ATOM 984 O ARG A 64 -14.098 9.637 -5.744 1.00 0.00 O ATOM 985 CB ARG A 64 -15.280 11.779 -3.491 1.00 0.00 C ATOM 986 CG ARG A 64 -15.321 11.500 -1.995 1.00 0.00 C ATOM 987 CD ARG A 64 -14.190 10.597 -1.546 1.00 0.00 C ATOM 988 NE ARG A 64 -13.934 10.712 -0.099 1.00 0.00 N ATOM 989 CZ ARG A 64 -13.302 11.748 0.490 1.00 0.00 C ATOM 990 NH1 ARG A 64 -12.846 12.773 -0.227 1.00 0.00 N ATOM 991 NH2 ARG A 64 -13.135 11.755 1.806 1.00 0.00 N ATOM 0 H ARG A 64 -17.296 10.318 -2.914 1.00 0.00 H new ATOM 0 HA ARG A 64 -16.104 11.160 -5.350 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -14.245 11.968 -3.775 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -15.836 12.697 -3.683 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -15.268 12.443 -1.450 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -16.275 11.038 -1.740 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -14.433 9.563 -1.790 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -13.284 10.850 -2.096 1.00 0.00 H new ATOM 0 HE ARG A 64 -14.258 9.953 0.500 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -12.972 12.784 -1.239 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -12.371 13.548 0.236 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -13.484 10.979 2.368 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -12.658 12.536 2.255 1.00 0.00 H new ATOM 1005 N GLY A 65 -14.719 8.583 -3.818 1.00 0.00 N ATOM 1006 CA GLY A 65 -13.787 7.482 -3.991 1.00 0.00 C ATOM 1007 C GLY A 65 -14.164 6.554 -5.130 1.00 0.00 C ATOM 1008 O GLY A 65 -13.278 6.051 -5.825 1.00 0.00 O ATOM 0 H GLY A 65 -15.297 8.520 -2.980 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -12.790 7.883 -4.173 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -13.736 6.909 -3.065 1.00 0.00 H new ATOM 1012 N THR A 66 -15.479 6.323 -5.330 1.00 0.00 N ATOM 1013 CA THR A 66 -15.939 5.453 -6.425 1.00 0.00 C ATOM 1014 C THR A 66 -15.638 6.096 -7.798 1.00 0.00 C ATOM 1015 O THR A 66 -15.196 5.412 -8.735 1.00 0.00 O ATOM 1016 CB THR A 66 -17.447 5.065 -6.293 1.00 0.00 C ATOM 1017 OG1 THR A 66 -17.755 4.004 -7.205 1.00 0.00 O ATOM 1018 CG2 THR A 66 -18.396 6.227 -6.559 1.00 0.00 C ATOM 0 H THR A 66 -16.225 6.719 -4.758 1.00 0.00 H new ATOM 0 HA THR A 66 -15.377 4.522 -6.351 1.00 0.00 H new ATOM 0 HB THR A 66 -17.594 4.753 -5.259 1.00 0.00 H new ATOM 0 HG1 THR A 66 -18.701 3.762 -7.118 1.00 0.00 H new ATOM 0 HG21 THR A 66 -19.426 5.888 -6.450 1.00 0.00 H new ATOM 0 HG22 THR A 66 -18.200 7.027 -5.845 1.00 0.00 H new ATOM 0 HG23 THR A 66 -18.241 6.599 -7.572 1.00 0.00 H new ATOM 1026 N LEU A 67 -15.849 7.429 -7.884 1.00 0.00 N ATOM 1027 CA LEU A 67 -15.582 8.194 -9.115 1.00 0.00 C ATOM 1028 C LEU A 67 -14.076 8.211 -9.426 1.00 0.00 C ATOM 1029 O LEU A 67 -13.671 8.067 -10.587 1.00 0.00 O ATOM 1030 CB LEU A 67 -16.119 9.629 -8.974 1.00 0.00 C ATOM 1031 CG LEU A 67 -16.446 10.354 -10.289 1.00 0.00 C ATOM 1032 CD1 LEU A 67 -17.607 11.315 -10.089 1.00 0.00 C ATOM 1033 CD2 LEU A 67 -15.226 11.105 -10.811 1.00 0.00 C ATOM 0 H LEU A 67 -16.204 7.994 -7.113 1.00 0.00 H new ATOM 0 HA LEU A 67 -16.096 7.708 -9.944 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -17.021 9.601 -8.363 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -15.383 10.220 -8.429 1.00 0.00 H new ATOM 0 HG LEU A 67 -16.732 9.606 -11.028 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -17.827 11.821 -11.029 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -18.486 10.760 -9.761 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -17.342 12.054 -9.333 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -15.481 11.610 -11.742 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -14.909 11.842 -10.073 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -14.414 10.400 -10.991 1.00 0.00 H new ATOM 1045 N ALA A 68 -13.254 8.364 -8.368 1.00 0.00 N ATOM 1046 CA ALA A 68 -11.789 8.363 -8.500 1.00 0.00 C ATOM 1047 C ALA A 68 -11.308 6.963 -8.892 1.00 0.00 C ATOM 1048 O ALA A 68 -10.416 6.795 -9.742 1.00 0.00 O ATOM 1049 CB ALA A 68 -11.135 8.807 -7.197 1.00 0.00 C ATOM 0 H ALA A 68 -13.585 8.490 -7.411 1.00 0.00 H new ATOM 0 HA ALA A 68 -11.503 9.068 -9.280 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -10.051 8.800 -7.313 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -11.467 9.815 -6.948 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -11.418 8.124 -6.396 1.00 0.00 H new ATOM 1055 N LYS A 69 -11.964 5.961 -8.279 1.00 0.00 N ATOM 1056 CA LYS A 69 -11.700 4.549 -8.519 1.00 0.00 C ATOM 1057 C LYS A 69 -11.816 4.226 -10.001 1.00 0.00 C ATOM 1058 O LYS A 69 -10.916 3.625 -10.563 1.00 0.00 O ATOM 1059 CB LYS A 69 -12.669 3.715 -7.683 1.00 0.00 C ATOM 1060 CG LYS A 69 -13.244 2.515 -8.408 1.00 0.00 C ATOM 1061 CD LYS A 69 -12.588 1.207 -7.981 1.00 0.00 C ATOM 1062 CE LYS A 69 -13.477 0.401 -7.046 1.00 0.00 C ATOM 1063 NZ LYS A 69 -13.144 -1.050 -7.075 1.00 0.00 N ATOM 0 H LYS A 69 -12.702 6.123 -7.594 1.00 0.00 H new ATOM 0 HA LYS A 69 -10.680 4.307 -8.219 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -12.154 3.371 -6.786 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -13.489 4.353 -7.354 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -14.316 2.459 -8.219 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -13.117 2.648 -9.482 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -12.358 0.612 -8.865 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -11.641 1.421 -7.485 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -13.369 0.778 -6.029 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -14.521 0.539 -7.329 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -13.983 -1.604 -6.810 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -12.841 -1.318 -8.033 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -12.375 -1.243 -6.402 1.00 0.00 H new ATOM 1077 N LEU A 70 -12.938 4.636 -10.613 1.00 0.00 N ATOM 1078 CA LEU A 70 -13.173 4.426 -12.042 1.00 0.00 C ATOM 1079 C LEU A 70 -12.127 5.216 -12.855 1.00 0.00 C ATOM 1080 O LEU A 70 -11.489 4.670 -13.792 1.00 0.00 O ATOM 1081 CB LEU A 70 -14.633 4.832 -12.364 1.00 0.00 C ATOM 1082 CG LEU A 70 -14.907 5.494 -13.725 1.00 0.00 C ATOM 1083 CD1 LEU A 70 -16.256 5.051 -14.271 1.00 0.00 C ATOM 1084 CD2 LEU A 70 -14.862 7.011 -13.593 1.00 0.00 C ATOM 0 H LEU A 70 -13.698 5.117 -10.133 1.00 0.00 H new ATOM 0 HA LEU A 70 -13.055 3.378 -12.318 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -15.253 3.938 -12.295 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -14.971 5.515 -11.585 1.00 0.00 H new ATOM 0 HG LEU A 70 -14.132 5.181 -14.424 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -16.433 5.529 -15.234 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -16.260 3.968 -14.397 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -17.043 5.338 -13.573 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -15.058 7.467 -14.564 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -15.619 7.337 -12.880 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -13.877 7.316 -13.241 1.00 0.00 H new ATOM 1096 N GLU A 71 -11.907 6.483 -12.416 1.00 0.00 N ATOM 1097 CA GLU A 71 -10.946 7.405 -13.051 1.00 0.00 C ATOM 1098 C GLU A 71 -9.613 6.699 -13.329 1.00 0.00 C ATOM 1099 O GLU A 71 -9.010 6.884 -14.391 1.00 0.00 O ATOM 1100 CB GLU A 71 -10.780 8.666 -12.157 1.00 0.00 C ATOM 1101 CG GLU A 71 -9.376 8.936 -11.591 1.00 0.00 C ATOM 1102 CD GLU A 71 -8.489 9.696 -12.560 1.00 0.00 C ATOM 1103 OE1 GLU A 71 -7.731 9.044 -13.309 1.00 0.00 O ATOM 1104 OE2 GLU A 71 -8.553 10.944 -12.570 1.00 0.00 O ATOM 0 H GLU A 71 -12.392 6.887 -11.615 1.00 0.00 H new ATOM 0 HA GLU A 71 -11.327 7.727 -14.020 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -11.085 9.536 -12.738 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -11.473 8.582 -11.320 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -9.465 9.504 -10.665 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -8.902 7.987 -11.339 1.00 0.00 H new ATOM 1111 N ALA A 72 -9.176 5.896 -12.355 1.00 0.00 N ATOM 1112 CA ALA A 72 -7.949 5.121 -12.490 1.00 0.00 C ATOM 1113 C ALA A 72 -8.227 3.741 -13.073 1.00 0.00 C ATOM 1114 O ALA A 72 -7.520 3.295 -13.962 1.00 0.00 O ATOM 1115 CB ALA A 72 -7.264 4.983 -11.156 1.00 0.00 C ATOM 0 H ALA A 72 -9.658 5.769 -11.465 1.00 0.00 H new ATOM 0 HA ALA A 72 -7.293 5.657 -13.176 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -6.350 4.402 -11.275 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -7.018 5.972 -10.770 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -7.928 4.475 -10.457 1.00 0.00 H new ATOM 1121 N PHE A 73 -9.296 3.091 -12.597 1.00 0.00 N ATOM 1122 CA PHE A 73 -9.698 1.740 -13.044 1.00 0.00 C ATOM 1123 C PHE A 73 -9.896 1.654 -14.568 1.00 0.00 C ATOM 1124 O PHE A 73 -10.245 0.596 -15.100 1.00 0.00 O ATOM 1125 CB PHE A 73 -10.996 1.337 -12.322 1.00 0.00 C ATOM 1126 CG PHE A 73 -10.921 0.087 -11.479 1.00 0.00 C ATOM 1127 CD1 PHE A 73 -10.049 -0.004 -10.400 1.00 0.00 C ATOM 1128 CD2 PHE A 73 -11.740 -0.997 -11.762 1.00 0.00 C ATOM 1129 CE1 PHE A 73 -9.997 -1.148 -9.628 1.00 0.00 C ATOM 1130 CE2 PHE A 73 -11.688 -2.144 -10.993 1.00 0.00 C ATOM 1131 CZ PHE A 73 -10.816 -2.219 -9.926 1.00 0.00 C ATOM 0 H PHE A 73 -9.914 3.485 -11.887 1.00 0.00 H new ATOM 0 HA PHE A 73 -8.890 1.053 -12.792 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -11.306 2.164 -11.684 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -11.778 1.201 -13.070 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -9.405 0.830 -10.163 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -12.427 -0.944 -12.594 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -9.316 -1.205 -8.792 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -12.329 -2.981 -11.227 1.00 0.00 H new ATOM 0 HZ PHE A 73 -10.774 -3.115 -9.324 1.00 0.00 H new ATOM 1141 N ALA A 74 -9.697 2.793 -15.248 1.00 0.00 N ATOM 1142 CA ALA A 74 -9.794 2.884 -16.709 1.00 0.00 C ATOM 1143 C ALA A 74 -9.156 1.705 -17.483 1.00 0.00 C ATOM 1144 O ALA A 74 -9.896 0.946 -18.117 1.00 0.00 O ATOM 1145 CB ALA A 74 -9.209 4.211 -17.181 1.00 0.00 C ATOM 0 H ALA A 74 -9.464 3.678 -14.797 1.00 0.00 H new ATOM 0 HA ALA A 74 -10.858 2.827 -16.939 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -9.283 4.275 -18.267 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -9.764 5.034 -16.730 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -8.162 4.273 -16.884 1.00 0.00 H new ATOM 1151 N ASP A 75 -7.815 1.531 -17.450 1.00 0.00 N ATOM 1152 CA ASP A 75 -7.197 0.424 -18.205 1.00 0.00 C ATOM 1153 C ASP A 75 -6.083 -0.333 -17.477 1.00 0.00 C ATOM 1154 O ASP A 75 -6.251 -1.505 -17.125 1.00 0.00 O ATOM 1155 CB ASP A 75 -6.709 0.921 -19.581 1.00 0.00 C ATOM 1156 CG ASP A 75 -6.769 -0.154 -20.652 1.00 0.00 C ATOM 1157 OD1 ASP A 75 -7.818 -0.267 -21.321 1.00 0.00 O ATOM 1158 OD2 ASP A 75 -5.768 -0.882 -20.821 1.00 0.00 O ATOM 0 H ASP A 75 -7.164 2.119 -16.930 1.00 0.00 H new ATOM 0 HA ASP A 75 -7.992 -0.311 -18.326 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -7.317 1.771 -19.892 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -5.684 1.279 -19.490 1.00 0.00 H new ATOM 1163 N THR A 76 -4.961 0.342 -17.257 1.00 0.00 N ATOM 1164 CA THR A 76 -3.779 -0.280 -16.646 1.00 0.00 C ATOM 1165 C THR A 76 -3.668 0.135 -15.188 1.00 0.00 C ATOM 1166 O THR A 76 -2.576 0.343 -14.643 1.00 0.00 O ATOM 1167 CB THR A 76 -2.495 0.095 -17.434 1.00 0.00 C ATOM 1168 OG1 THR A 76 -2.768 0.102 -18.842 1.00 0.00 O ATOM 1169 CG2 THR A 76 -1.353 -0.881 -17.157 1.00 0.00 C ATOM 0 H THR A 76 -4.839 1.327 -17.492 1.00 0.00 H new ATOM 0 HA THR A 76 -3.889 -1.364 -16.687 1.00 0.00 H new ATOM 0 HB THR A 76 -2.189 1.087 -17.102 1.00 0.00 H new ATOM 0 HG1 THR A 76 -1.954 0.341 -19.332 1.00 0.00 H new ATOM 0 HG21 THR A 76 -0.473 -0.583 -17.728 1.00 0.00 H new ATOM 0 HG22 THR A 76 -1.116 -0.871 -16.093 1.00 0.00 H new ATOM 0 HG23 THR A 76 -1.654 -1.886 -17.452 1.00 0.00 H new ATOM 1177 N VAL A 77 -4.836 0.231 -14.572 1.00 0.00 N ATOM 1178 CA VAL A 77 -4.975 0.644 -13.183 1.00 0.00 C ATOM 1179 C VAL A 77 -6.312 0.130 -12.626 1.00 0.00 C ATOM 1180 O VAL A 77 -7.029 0.853 -11.922 1.00 0.00 O ATOM 1181 CB VAL A 77 -4.871 2.194 -13.054 1.00 0.00 C ATOM 1182 CG1 VAL A 77 -3.457 2.575 -12.642 1.00 0.00 C ATOM 1183 CG2 VAL A 77 -5.249 2.909 -14.362 1.00 0.00 C ATOM 0 H VAL A 77 -5.725 0.022 -15.027 1.00 0.00 H new ATOM 0 HA VAL A 77 -4.162 0.212 -12.599 1.00 0.00 H new ATOM 0 HB VAL A 77 -5.581 2.515 -12.292 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -3.384 3.659 -12.552 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -3.221 2.114 -11.683 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -2.752 2.225 -13.396 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -5.162 3.987 -14.226 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -4.578 2.589 -15.159 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -6.275 2.659 -14.630 1.00 0.00 H new ATOM 1193 N ALA A 78 -6.634 -1.152 -12.938 1.00 0.00 N ATOM 1194 CA ALA A 78 -7.903 -1.761 -12.507 1.00 0.00 C ATOM 1195 C ALA A 78 -7.792 -3.269 -12.162 1.00 0.00 C ATOM 1196 O ALA A 78 -8.038 -3.632 -11.008 1.00 0.00 O ATOM 1197 CB ALA A 78 -8.979 -1.556 -13.575 1.00 0.00 C ATOM 0 H ALA A 78 -6.034 -1.772 -13.481 1.00 0.00 H new ATOM 0 HA ALA A 78 -8.180 -1.251 -11.584 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -9.912 -2.011 -13.243 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -9.133 -0.489 -13.736 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -8.660 -2.021 -14.507 1.00 0.00 H new ATOM 1203 N PRO A 79 -7.424 -4.182 -13.131 1.00 0.00 N ATOM 1204 CA PRO A 79 -7.370 -5.630 -12.881 1.00 0.00 C ATOM 1205 C PRO A 79 -5.969 -6.167 -12.535 1.00 0.00 C ATOM 1206 O PRO A 79 -5.571 -7.242 -13.007 1.00 0.00 O ATOM 1207 CB PRO A 79 -7.856 -6.190 -14.235 1.00 0.00 C ATOM 1208 CG PRO A 79 -7.626 -5.104 -15.261 1.00 0.00 C ATOM 1209 CD PRO A 79 -7.034 -3.919 -14.534 1.00 0.00 C ATOM 0 HA PRO A 79 -7.960 -5.919 -12.011 1.00 0.00 H new ATOM 0 HB2 PRO A 79 -7.308 -7.094 -14.499 1.00 0.00 H new ATOM 0 HB3 PRO A 79 -8.911 -6.459 -14.186 1.00 0.00 H new ATOM 0 HG2 PRO A 79 -6.951 -5.451 -16.044 1.00 0.00 H new ATOM 0 HG3 PRO A 79 -8.562 -4.829 -15.746 1.00 0.00 H new ATOM 0 HD2 PRO A 79 -5.952 -3.869 -14.652 1.00 0.00 H new ATOM 0 HD3 PRO A 79 -7.439 -2.975 -14.898 1.00 0.00 H new ATOM 1217 N GLN A 80 -5.236 -5.434 -11.695 1.00 0.00 N ATOM 1218 CA GLN A 80 -3.885 -5.840 -11.318 1.00 0.00 C ATOM 1219 C GLN A 80 -3.707 -5.812 -9.790 1.00 0.00 C ATOM 1220 O GLN A 80 -3.101 -4.900 -9.240 1.00 0.00 O ATOM 1221 CB GLN A 80 -2.864 -4.943 -12.065 1.00 0.00 C ATOM 1222 CG GLN A 80 -3.008 -3.433 -11.850 1.00 0.00 C ATOM 1223 CD GLN A 80 -1.944 -2.641 -12.583 1.00 0.00 C ATOM 1224 OE1 GLN A 80 -2.224 -2.289 -13.832 1.00 0.00 O flip ATOM 1225 NE2 GLN A 80 -0.880 -2.352 -12.035 1.00 0.00 N flip ATOM 0 H GLN A 80 -5.553 -4.564 -11.267 1.00 0.00 H new ATOM 0 HA GLN A 80 -3.706 -6.873 -11.617 1.00 0.00 H new ATOM 0 HB2 GLN A 80 -1.860 -5.239 -11.760 1.00 0.00 H new ATOM 0 HB3 GLN A 80 -2.945 -5.147 -13.133 1.00 0.00 H new ATOM 0 HG2 GLN A 80 -3.993 -3.113 -12.189 1.00 0.00 H new ATOM 0 HG3 GLN A 80 -2.951 -3.213 -10.784 1.00 0.00 H new ATOM 0 HE21 GLN A 80 -0.706 -2.643 -11.073 1.00 0.00 H new ATOM 0 HE22 GLN A 80 -0.172 -1.822 -12.543 1.00 0.00 H new ATOM 1234 N LEU A 81 -4.212 -6.860 -9.112 1.00 0.00 N ATOM 1235 CA LEU A 81 -4.158 -6.938 -7.634 1.00 0.00 C ATOM 1236 C LEU A 81 -4.352 -8.365 -7.096 1.00 0.00 C ATOM 1237 O LEU A 81 -4.640 -9.298 -7.850 1.00 0.00 O ATOM 1238 CB LEU A 81 -5.229 -5.997 -7.008 1.00 0.00 C ATOM 1239 CG LEU A 81 -6.720 -6.409 -7.141 1.00 0.00 C ATOM 1240 CD1 LEU A 81 -7.609 -5.317 -6.588 1.00 0.00 C ATOM 1241 CD2 LEU A 81 -7.128 -6.710 -8.580 1.00 0.00 C ATOM 0 H LEU A 81 -4.660 -7.661 -9.558 1.00 0.00 H new ATOM 0 HA LEU A 81 -3.157 -6.619 -7.344 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -5.004 -5.892 -5.947 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -5.112 -5.011 -7.457 1.00 0.00 H new ATOM 0 HG LEU A 81 -6.843 -7.328 -6.568 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -8.653 -5.614 -6.685 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -7.374 -5.155 -5.536 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -7.441 -4.395 -7.144 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -8.180 -6.992 -8.608 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -6.973 -5.824 -9.195 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -6.522 -7.530 -8.966 1.00 0.00 H new ATOM 1253 N SER A 82 -4.184 -8.495 -5.769 1.00 0.00 N ATOM 1254 CA SER A 82 -4.356 -9.758 -5.054 1.00 0.00 C ATOM 1255 C SER A 82 -5.682 -9.727 -4.239 1.00 0.00 C ATOM 1256 O SER A 82 -6.313 -8.668 -4.162 1.00 0.00 O ATOM 1257 CB SER A 82 -3.143 -9.995 -4.144 1.00 0.00 C ATOM 1258 OG SER A 82 -2.609 -11.295 -4.326 1.00 0.00 O ATOM 0 H SER A 82 -3.923 -7.717 -5.163 1.00 0.00 H new ATOM 0 HA SER A 82 -4.420 -10.583 -5.763 1.00 0.00 H new ATOM 0 HB2 SER A 82 -2.375 -9.251 -4.357 1.00 0.00 H new ATOM 0 HB3 SER A 82 -3.436 -9.862 -3.102 1.00 0.00 H new ATOM 0 HG SER A 82 -1.837 -11.417 -3.735 1.00 0.00 H new ATOM 1264 N PRO A 83 -6.137 -10.873 -3.616 1.00 0.00 N ATOM 1265 CA PRO A 83 -7.416 -10.942 -2.845 1.00 0.00 C ATOM 1266 C PRO A 83 -7.673 -9.841 -1.805 1.00 0.00 C ATOM 1267 O PRO A 83 -8.823 -9.415 -1.658 1.00 0.00 O ATOM 1268 CB PRO A 83 -7.331 -12.302 -2.153 1.00 0.00 C ATOM 1269 CG PRO A 83 -6.511 -13.136 -3.064 1.00 0.00 C ATOM 1270 CD PRO A 83 -5.476 -12.210 -3.639 1.00 0.00 C ATOM 0 HA PRO A 83 -8.249 -10.800 -3.533 1.00 0.00 H new ATOM 0 HB2 PRO A 83 -6.869 -12.218 -1.169 1.00 0.00 H new ATOM 0 HB3 PRO A 83 -8.321 -12.733 -2.004 1.00 0.00 H new ATOM 0 HG2 PRO A 83 -6.043 -13.961 -2.526 1.00 0.00 H new ATOM 0 HG3 PRO A 83 -7.124 -13.576 -3.851 1.00 0.00 H new ATOM 0 HD2 PRO A 83 -4.562 -12.214 -3.045 1.00 0.00 H new ATOM 0 HD3 PRO A 83 -5.199 -12.501 -4.652 1.00 0.00 H new ATOM 1278 N GLY A 84 -6.642 -9.376 -1.092 1.00 0.00 N ATOM 1279 CA GLY A 84 -6.876 -8.346 -0.086 1.00 0.00 C ATOM 1280 C GLY A 84 -5.634 -7.916 0.681 1.00 0.00 C ATOM 1281 O GLY A 84 -4.602 -8.587 0.622 1.00 0.00 O ATOM 0 H GLY A 84 -5.675 -9.684 -1.189 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -7.307 -7.472 -0.574 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -7.617 -8.712 0.624 1.00 0.00 H new ATOM 1285 N ASP A 85 -5.761 -6.788 1.435 1.00 0.00 N ATOM 1286 CA ASP A 85 -4.673 -6.202 2.285 1.00 0.00 C ATOM 1287 C ASP A 85 -3.285 -6.140 1.606 1.00 0.00 C ATOM 1288 O ASP A 85 -2.312 -6.733 2.090 1.00 0.00 O ATOM 1289 CB ASP A 85 -4.579 -6.923 3.656 1.00 0.00 C ATOM 1290 CG ASP A 85 -4.618 -8.443 3.573 1.00 0.00 C ATOM 1291 OD1 ASP A 85 -3.556 -9.051 3.323 1.00 0.00 O ATOM 1292 OD2 ASP A 85 -5.710 -9.021 3.758 1.00 0.00 O ATOM 0 H ASP A 85 -6.628 -6.252 1.473 1.00 0.00 H new ATOM 0 HA ASP A 85 -4.969 -5.165 2.441 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -3.654 -6.622 4.148 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -5.401 -6.585 4.287 1.00 0.00 H new ATOM 1297 N ILE A 86 -3.209 -5.431 0.468 1.00 0.00 N ATOM 1298 CA ILE A 86 -1.941 -5.281 -0.274 1.00 0.00 C ATOM 1299 C ILE A 86 -1.831 -3.946 -1.039 1.00 0.00 C ATOM 1300 O ILE A 86 -2.838 -3.385 -1.475 1.00 0.00 O ATOM 1301 CB ILE A 86 -1.645 -6.480 -1.244 1.00 0.00 C ATOM 1302 CG1 ILE A 86 -2.860 -7.399 -1.456 1.00 0.00 C ATOM 1303 CG2 ILE A 86 -0.475 -7.295 -0.721 1.00 0.00 C ATOM 1304 CD1 ILE A 86 -3.735 -7.014 -2.623 1.00 0.00 C ATOM 0 H ILE A 86 -4.004 -4.954 0.042 1.00 0.00 H new ATOM 0 HA ILE A 86 -1.178 -5.281 0.505 1.00 0.00 H new ATOM 0 HB ILE A 86 -1.400 -6.044 -2.213 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -2.507 -8.420 -1.603 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -3.464 -7.398 -0.549 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -0.277 -8.124 -1.400 1.00 0.00 H new ATOM 0 HG22 ILE A 86 0.409 -6.661 -0.655 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -0.717 -7.685 0.268 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -4.567 -7.714 -2.700 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -4.121 -6.006 -2.471 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -3.150 -7.044 -3.542 1.00 0.00 H new ATOM 1316 N VAL A 87 -0.580 -3.444 -1.143 1.00 0.00 N ATOM 1317 CA VAL A 87 -0.206 -2.218 -1.912 1.00 0.00 C ATOM 1318 C VAL A 87 1.235 -2.408 -2.467 1.00 0.00 C ATOM 1319 O VAL A 87 2.102 -2.872 -1.721 1.00 0.00 O ATOM 1320 CB VAL A 87 -0.310 -0.918 -1.041 1.00 0.00 C ATOM 1321 CG1 VAL A 87 0.518 -1.000 0.245 1.00 0.00 C ATOM 1322 CG2 VAL A 87 0.066 0.332 -1.840 1.00 0.00 C ATOM 0 H VAL A 87 0.220 -3.883 -0.688 1.00 0.00 H new ATOM 0 HA VAL A 87 -0.909 -2.087 -2.735 1.00 0.00 H new ATOM 0 HB VAL A 87 -1.357 -0.837 -0.749 1.00 0.00 H new ATOM 0 HG11 VAL A 87 0.408 -0.073 0.808 1.00 0.00 H new ATOM 0 HG12 VAL A 87 0.168 -1.836 0.850 1.00 0.00 H new ATOM 0 HG13 VAL A 87 1.568 -1.149 -0.007 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -0.019 1.211 -1.201 1.00 0.00 H new ATOM 0 HG22 VAL A 87 1.092 0.241 -2.197 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -0.607 0.436 -2.691 1.00 0.00 H new ATOM 1332 N VAL A 88 1.504 -2.059 -3.757 1.00 0.00 N ATOM 1333 CA VAL A 88 2.854 -2.267 -4.323 1.00 0.00 C ATOM 1334 C VAL A 88 3.791 -1.064 -4.084 1.00 0.00 C ATOM 1335 O VAL A 88 3.460 0.063 -4.445 1.00 0.00 O ATOM 1336 CB VAL A 88 2.790 -2.562 -5.852 1.00 0.00 C ATOM 1337 CG1 VAL A 88 4.172 -2.824 -6.448 1.00 0.00 C ATOM 1338 CG2 VAL A 88 1.878 -3.732 -6.170 1.00 0.00 C ATOM 0 H VAL A 88 0.826 -1.648 -4.399 1.00 0.00 H new ATOM 0 HA VAL A 88 3.264 -3.130 -3.799 1.00 0.00 H new ATOM 0 HB VAL A 88 2.378 -1.662 -6.308 1.00 0.00 H new ATOM 0 HG11 VAL A 88 4.076 -3.025 -7.515 1.00 0.00 H new ATOM 0 HG12 VAL A 88 4.804 -1.949 -6.299 1.00 0.00 H new ATOM 0 HG13 VAL A 88 4.623 -3.686 -5.956 1.00 0.00 H new ATOM 0 HG21 VAL A 88 1.865 -3.901 -7.247 1.00 0.00 H new ATOM 0 HG22 VAL A 88 2.245 -4.627 -5.667 1.00 0.00 H new ATOM 0 HG23 VAL A 88 0.868 -3.510 -5.825 1.00 0.00 H new ATOM 1348 N ALA A 89 4.943 -1.339 -3.436 1.00 0.00 N ATOM 1349 CA ALA A 89 6.000 -0.357 -3.172 1.00 0.00 C ATOM 1350 C ALA A 89 7.343 -1.089 -3.178 1.00 0.00 C ATOM 1351 O ALA A 89 7.731 -1.702 -2.176 1.00 0.00 O ATOM 1352 CB ALA A 89 5.764 0.369 -1.846 1.00 0.00 C ATOM 0 H ALA A 89 5.162 -2.269 -3.078 1.00 0.00 H new ATOM 0 HA ALA A 89 5.996 0.409 -3.948 1.00 0.00 H new ATOM 0 HB1 ALA A 89 6.564 1.090 -1.679 1.00 0.00 H new ATOM 0 HB2 ALA A 89 4.807 0.890 -1.882 1.00 0.00 H new ATOM 0 HB3 ALA A 89 5.752 -0.355 -1.032 1.00 0.00 H new ATOM 1358 N LEU A 90 8.045 -1.040 -4.315 1.00 0.00 N ATOM 1359 CA LEU A 90 9.323 -1.756 -4.447 1.00 0.00 C ATOM 1360 C LEU A 90 10.444 -0.866 -4.943 1.00 0.00 C ATOM 1361 O LEU A 90 10.195 0.077 -5.672 1.00 0.00 O ATOM 1362 CB LEU A 90 9.180 -2.999 -5.364 1.00 0.00 C ATOM 1363 CG LEU A 90 8.698 -2.836 -6.849 1.00 0.00 C ATOM 1364 CD1 LEU A 90 7.900 -4.061 -7.275 1.00 0.00 C ATOM 1365 CD2 LEU A 90 7.847 -1.593 -7.098 1.00 0.00 C ATOM 0 H LEU A 90 7.758 -0.522 -5.146 1.00 0.00 H new ATOM 0 HA LEU A 90 9.591 -2.087 -3.443 1.00 0.00 H new ATOM 0 HB2 LEU A 90 10.151 -3.493 -5.392 1.00 0.00 H new ATOM 0 HB3 LEU A 90 8.488 -3.684 -4.874 1.00 0.00 H new ATOM 0 HG LEU A 90 9.607 -2.725 -7.440 1.00 0.00 H new ATOM 0 HD11 LEU A 90 7.570 -3.939 -8.307 1.00 0.00 H new ATOM 0 HD12 LEU A 90 8.527 -4.949 -7.197 1.00 0.00 H new ATOM 0 HD13 LEU A 90 7.031 -4.173 -6.626 1.00 0.00 H new ATOM 0 HD21 LEU A 90 7.556 -1.556 -8.148 1.00 0.00 H new ATOM 0 HD22 LEU A 90 6.954 -1.633 -6.475 1.00 0.00 H new ATOM 0 HD23 LEU A 90 8.423 -0.702 -6.850 1.00 0.00 H new ATOM 1377 N GLY A 91 11.674 -1.160 -4.495 1.00 0.00 N ATOM 1378 CA GLY A 91 12.852 -0.397 -4.918 1.00 0.00 C ATOM 1379 C GLY A 91 12.978 0.947 -4.220 1.00 0.00 C ATOM 1380 O GLY A 91 12.960 1.012 -2.990 1.00 0.00 O ATOM 0 H GLY A 91 11.876 -1.918 -3.843 1.00 0.00 H new ATOM 0 HA2 GLY A 91 13.748 -0.986 -4.722 1.00 0.00 H new ATOM 0 HA3 GLY A 91 12.805 -0.237 -5.995 1.00 0.00 H new ATOM 1384 N HIS A 92 13.099 2.021 -5.019 1.00 0.00 N ATOM 1385 CA HIS A 92 13.214 3.402 -4.483 1.00 0.00 C ATOM 1386 C HIS A 92 11.912 3.800 -3.792 1.00 0.00 C ATOM 1387 O HIS A 92 11.067 4.515 -4.341 1.00 0.00 O ATOM 1388 CB HIS A 92 13.560 4.404 -5.589 1.00 0.00 C ATOM 1389 CG HIS A 92 13.898 5.785 -5.100 1.00 0.00 C ATOM 1390 ND1 HIS A 92 15.193 6.240 -4.964 1.00 0.00 N ATOM 1391 CD2 HIS A 92 13.099 6.810 -4.718 1.00 0.00 C ATOM 1392 CE1 HIS A 92 15.176 7.484 -4.519 1.00 0.00 C ATOM 1393 NE2 HIS A 92 13.918 7.853 -4.362 1.00 0.00 N ATOM 0 H HIS A 92 13.120 1.967 -6.037 1.00 0.00 H new ATOM 0 HA HIS A 92 14.026 3.419 -3.756 1.00 0.00 H new ATOM 0 HB2 HIS A 92 14.405 4.018 -6.159 1.00 0.00 H new ATOM 0 HB3 HIS A 92 12.716 4.472 -6.276 1.00 0.00 H new ATOM 0 HD2 HIS A 92 12.019 6.807 -4.697 1.00 0.00 H new ATOM 0 HE1 HIS A 92 16.044 8.095 -4.318 1.00 0.00 H new ATOM 0 HE2 HIS A 92 13.605 8.765 -4.030 1.00 0.00 H new ATOM 1402 N THR A 93 11.781 3.297 -2.584 1.00 0.00 N ATOM 1403 CA THR A 93 10.601 3.505 -1.759 1.00 0.00 C ATOM 1404 C THR A 93 11.049 3.914 -0.340 1.00 0.00 C ATOM 1405 O THR A 93 11.535 3.066 0.415 1.00 0.00 O ATOM 1406 CB THR A 93 9.727 2.206 -1.759 1.00 0.00 C ATOM 1407 OG1 THR A 93 10.375 1.160 -1.020 1.00 0.00 O ATOM 1408 CG2 THR A 93 9.497 1.730 -3.195 1.00 0.00 C ATOM 0 H THR A 93 12.497 2.724 -2.137 1.00 0.00 H new ATOM 0 HA THR A 93 9.984 4.309 -2.159 1.00 0.00 H new ATOM 0 HB THR A 93 8.772 2.440 -1.288 1.00 0.00 H new ATOM 0 HG1 THR A 93 10.936 1.554 -0.319 1.00 0.00 H new ATOM 0 HG21 THR A 93 8.888 0.826 -3.186 1.00 0.00 H new ATOM 0 HG22 THR A 93 8.982 2.508 -3.758 1.00 0.00 H new ATOM 0 HG23 THR A 93 10.457 1.516 -3.666 1.00 0.00 H new ATOM 1416 N PRO A 94 10.915 5.231 0.048 1.00 0.00 N ATOM 1417 CA PRO A 94 11.374 5.727 1.369 1.00 0.00 C ATOM 1418 C PRO A 94 10.642 5.099 2.566 1.00 0.00 C ATOM 1419 O PRO A 94 9.679 5.662 3.098 1.00 0.00 O ATOM 1420 CB PRO A 94 11.135 7.245 1.294 1.00 0.00 C ATOM 1421 CG PRO A 94 10.102 7.437 0.238 1.00 0.00 C ATOM 1422 CD PRO A 94 10.304 6.326 -0.756 1.00 0.00 C ATOM 0 HA PRO A 94 12.415 5.457 1.546 1.00 0.00 H new ATOM 0 HB2 PRO A 94 10.793 7.636 2.252 1.00 0.00 H new ATOM 0 HB3 PRO A 94 12.054 7.775 1.044 1.00 0.00 H new ATOM 0 HG2 PRO A 94 9.099 7.401 0.664 1.00 0.00 H new ATOM 0 HG3 PRO A 94 10.210 8.411 -0.240 1.00 0.00 H new ATOM 0 HD2 PRO A 94 9.360 6.014 -1.203 1.00 0.00 H new ATOM 0 HD3 PRO A 94 10.957 6.634 -1.572 1.00 0.00 H new ATOM 1430 N VAL A 95 11.131 3.916 2.968 1.00 0.00 N ATOM 1431 CA VAL A 95 10.577 3.148 4.098 1.00 0.00 C ATOM 1432 C VAL A 95 11.562 2.072 4.569 1.00 0.00 C ATOM 1433 O VAL A 95 11.660 1.794 5.768 1.00 0.00 O ATOM 1434 CB VAL A 95 9.212 2.466 3.769 1.00 0.00 C ATOM 1435 CG1 VAL A 95 8.059 3.418 4.053 1.00 0.00 C ATOM 1436 CG2 VAL A 95 9.147 1.967 2.322 1.00 0.00 C ATOM 0 H VAL A 95 11.925 3.462 2.518 1.00 0.00 H new ATOM 0 HA VAL A 95 10.407 3.878 4.889 1.00 0.00 H new ATOM 0 HB VAL A 95 9.124 1.594 4.417 1.00 0.00 H new ATOM 0 HG11 VAL A 95 7.115 2.926 3.818 1.00 0.00 H new ATOM 0 HG12 VAL A 95 8.070 3.699 5.106 1.00 0.00 H new ATOM 0 HG13 VAL A 95 8.165 4.312 3.438 1.00 0.00 H new ATOM 0 HG21 VAL A 95 8.179 1.500 2.141 1.00 0.00 H new ATOM 0 HG22 VAL A 95 9.277 2.808 1.641 1.00 0.00 H new ATOM 0 HG23 VAL A 95 9.939 1.237 2.153 1.00 0.00 H new ATOM 1446 N GLY A 96 12.283 1.477 3.608 1.00 0.00 N ATOM 1447 CA GLY A 96 13.249 0.430 3.907 1.00 0.00 C ATOM 1448 C GLY A 96 14.661 0.940 4.071 1.00 0.00 C ATOM 1449 O GLY A 96 15.196 1.612 3.185 1.00 0.00 O ATOM 0 H GLY A 96 12.209 1.709 2.617 1.00 0.00 H new ATOM 0 HA2 GLY A 96 12.947 -0.081 4.821 1.00 0.00 H new ATOM 0 HA3 GLY A 96 13.229 -0.310 3.107 1.00 0.00 H new ATOM 1453 N GLY A 97 15.255 0.608 5.223 1.00 0.00 N ATOM 1454 CA GLY A 97 16.635 0.987 5.517 1.00 0.00 C ATOM 1455 C GLY A 97 17.616 -0.037 4.966 1.00 0.00 C ATOM 1456 O GLY A 97 18.817 0.012 5.247 1.00 0.00 O ATOM 0 H GLY A 97 14.798 0.077 5.965 1.00 0.00 H new ATOM 0 HA2 GLY A 97 16.846 1.965 5.086 1.00 0.00 H new ATOM 0 HA3 GLY A 97 16.768 1.079 6.595 1.00 0.00 H new ATOM 1460 N ILE A 98 17.065 -0.963 4.173 1.00 0.00 N ATOM 1461 CA ILE A 98 17.805 -2.037 3.526 1.00 0.00 C ATOM 1462 C ILE A 98 18.310 -1.553 2.144 1.00 0.00 C ATOM 1463 O ILE A 98 17.986 -0.436 1.733 1.00 0.00 O ATOM 1464 CB ILE A 98 16.894 -3.331 3.448 1.00 0.00 C ATOM 1465 CG1 ILE A 98 17.398 -4.390 2.450 1.00 0.00 C ATOM 1466 CG2 ILE A 98 15.435 -2.980 3.138 1.00 0.00 C ATOM 1467 CD1 ILE A 98 18.516 -5.264 2.988 1.00 0.00 C ATOM 0 H ILE A 98 16.067 -0.981 3.962 1.00 0.00 H new ATOM 0 HA ILE A 98 18.687 -2.309 4.105 1.00 0.00 H new ATOM 0 HB ILE A 98 16.956 -3.775 4.442 1.00 0.00 H new ATOM 0 HG12 ILE A 98 16.562 -5.026 2.158 1.00 0.00 H new ATOM 0 HG13 ILE A 98 17.746 -3.887 1.548 1.00 0.00 H new ATOM 0 HG21 ILE A 98 14.843 -3.894 3.093 1.00 0.00 H new ATOM 0 HG22 ILE A 98 15.042 -2.331 3.921 1.00 0.00 H new ATOM 0 HG23 ILE A 98 15.381 -2.465 2.179 1.00 0.00 H new ATOM 0 HD11 ILE A 98 18.815 -5.983 2.225 1.00 0.00 H new ATOM 0 HD12 ILE A 98 19.370 -4.640 3.253 1.00 0.00 H new ATOM 0 HD13 ILE A 98 18.168 -5.797 3.873 1.00 0.00 H new ATOM 1479 N PHE A 99 19.127 -2.370 1.457 1.00 0.00 N ATOM 1480 CA PHE A 99 19.657 -2.004 0.139 1.00 0.00 C ATOM 1481 C PHE A 99 19.522 -3.157 -0.867 1.00 0.00 C ATOM 1482 O PHE A 99 20.404 -4.018 -0.977 1.00 0.00 O ATOM 1483 CB PHE A 99 21.126 -1.568 0.257 1.00 0.00 C ATOM 1484 CG PHE A 99 21.319 -0.266 0.986 1.00 0.00 C ATOM 1485 CD1 PHE A 99 21.316 0.936 0.297 1.00 0.00 C ATOM 1486 CD2 PHE A 99 21.504 -0.247 2.359 1.00 0.00 C ATOM 1487 CE1 PHE A 99 21.493 2.133 0.964 1.00 0.00 C ATOM 1488 CE2 PHE A 99 21.682 0.947 3.032 1.00 0.00 C ATOM 1489 CZ PHE A 99 21.676 2.139 2.334 1.00 0.00 C ATOM 0 H PHE A 99 19.432 -3.283 1.794 1.00 0.00 H new ATOM 0 HA PHE A 99 19.066 -1.168 -0.235 1.00 0.00 H new ATOM 0 HB2 PHE A 99 21.686 -2.348 0.773 1.00 0.00 H new ATOM 0 HB3 PHE A 99 21.550 -1.479 -0.743 1.00 0.00 H new ATOM 0 HD1 PHE A 99 21.174 0.937 -0.774 1.00 0.00 H new ATOM 0 HD2 PHE A 99 21.509 -1.176 2.910 1.00 0.00 H new ATOM 0 HE1 PHE A 99 21.488 3.063 0.415 1.00 0.00 H new ATOM 0 HE2 PHE A 99 21.826 0.948 4.102 1.00 0.00 H new ATOM 0 HZ PHE A 99 21.814 3.073 2.858 1.00 0.00 H new ATOM 1499 N ASP A 100 18.390 -3.159 -1.592 1.00 0.00 N ATOM 1500 CA ASP A 100 18.087 -4.150 -2.632 1.00 0.00 C ATOM 1501 C ASP A 100 17.055 -3.590 -3.612 1.00 0.00 C ATOM 1502 O ASP A 100 15.948 -3.245 -3.219 1.00 0.00 O ATOM 1503 CB ASP A 100 17.524 -5.453 -2.027 1.00 0.00 C ATOM 1504 CG ASP A 100 18.564 -6.272 -1.284 1.00 0.00 C ATOM 1505 OD1 ASP A 100 18.729 -6.056 -0.065 1.00 0.00 O ATOM 1506 OD2 ASP A 100 19.212 -7.128 -1.922 1.00 0.00 O ATOM 0 H ASP A 100 17.654 -2.464 -1.469 1.00 0.00 H new ATOM 0 HA ASP A 100 19.022 -4.371 -3.148 1.00 0.00 H new ATOM 0 HB2 ASP A 100 16.711 -5.206 -1.344 1.00 0.00 H new ATOM 0 HB3 ASP A 100 17.097 -6.060 -2.825 1.00 0.00 H new ATOM 1511 N LEU A 101 17.399 -3.556 -4.897 1.00 0.00 N ATOM 1512 CA LEU A 101 16.475 -3.070 -5.930 1.00 0.00 C ATOM 1513 C LEU A 101 16.112 -4.211 -6.874 1.00 0.00 C ATOM 1514 O LEU A 101 16.991 -4.878 -7.425 1.00 0.00 O ATOM 1515 CB LEU A 101 17.091 -1.910 -6.717 1.00 0.00 C ATOM 1516 CG LEU A 101 16.285 -0.601 -6.757 1.00 0.00 C ATOM 1517 CD1 LEU A 101 16.313 0.117 -5.410 1.00 0.00 C ATOM 1518 CD2 LEU A 101 16.843 0.305 -7.843 1.00 0.00 C ATOM 0 H LEU A 101 18.307 -3.857 -5.252 1.00 0.00 H new ATOM 0 HA LEU A 101 15.572 -2.704 -5.441 1.00 0.00 H new ATOM 0 HB2 LEU A 101 18.072 -1.694 -6.293 1.00 0.00 H new ATOM 0 HB3 LEU A 101 17.253 -2.242 -7.743 1.00 0.00 H new ATOM 0 HG LEU A 101 15.246 -0.846 -6.979 1.00 0.00 H new ATOM 0 HD11 LEU A 101 15.733 1.038 -5.476 1.00 0.00 H new ATOM 0 HD12 LEU A 101 15.883 -0.529 -4.645 1.00 0.00 H new ATOM 0 HD13 LEU A 101 17.343 0.355 -5.146 1.00 0.00 H new ATOM 0 HD21 LEU A 101 16.272 1.233 -7.872 1.00 0.00 H new ATOM 0 HD22 LEU A 101 17.888 0.529 -7.629 1.00 0.00 H new ATOM 0 HD23 LEU A 101 16.770 -0.196 -8.808 1.00 0.00 H new ATOM 1530 N LYS A 102 14.817 -4.513 -6.960 1.00 0.00 N ATOM 1531 CA LYS A 102 14.345 -5.563 -7.854 1.00 0.00 C ATOM 1532 C LYS A 102 13.958 -5.017 -9.230 1.00 0.00 C ATOM 1533 O LYS A 102 13.024 -4.220 -9.363 1.00 0.00 O ATOM 1534 CB LYS A 102 13.187 -6.355 -7.209 1.00 0.00 C ATOM 1535 CG LYS A 102 11.891 -5.557 -6.985 1.00 0.00 C ATOM 1536 CD LYS A 102 10.684 -6.216 -7.651 1.00 0.00 C ATOM 1537 CE LYS A 102 10.430 -5.669 -9.050 1.00 0.00 C ATOM 1538 NZ LYS A 102 9.207 -6.256 -9.663 1.00 0.00 N ATOM 0 H LYS A 102 14.083 -4.048 -6.425 1.00 0.00 H new ATOM 0 HA LYS A 102 15.174 -6.252 -8.015 1.00 0.00 H new ATOM 0 HB2 LYS A 102 12.961 -7.215 -7.840 1.00 0.00 H new ATOM 0 HB3 LYS A 102 13.525 -6.744 -6.249 1.00 0.00 H new ATOM 0 HG2 LYS A 102 11.706 -5.461 -5.915 1.00 0.00 H new ATOM 0 HG3 LYS A 102 12.015 -4.548 -7.379 1.00 0.00 H new ATOM 0 HD2 LYS A 102 10.845 -7.293 -7.707 1.00 0.00 H new ATOM 0 HD3 LYS A 102 9.799 -6.058 -7.034 1.00 0.00 H new ATOM 0 HE2 LYS A 102 10.328 -4.585 -9.003 1.00 0.00 H new ATOM 0 HE3 LYS A 102 11.291 -5.880 -9.684 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 9.070 -5.858 -10.614 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 9.314 -7.288 -9.732 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 8.381 -6.033 -9.072 1.00 0.00 H new ATOM 1552 N VAL A 103 14.729 -5.423 -10.239 1.00 0.00 N ATOM 1553 CA VAL A 103 14.477 -5.029 -11.625 1.00 0.00 C ATOM 1554 C VAL A 103 14.820 -6.213 -12.550 1.00 0.00 C ATOM 1555 O VAL A 103 15.939 -6.318 -13.070 1.00 0.00 O ATOM 1556 CB VAL A 103 15.258 -3.736 -12.049 1.00 0.00 C ATOM 1557 CG1 VAL A 103 14.943 -3.333 -13.491 1.00 0.00 C ATOM 1558 CG2 VAL A 103 14.936 -2.570 -11.118 1.00 0.00 C ATOM 0 H VAL A 103 15.540 -6.030 -10.120 1.00 0.00 H new ATOM 0 HA VAL A 103 13.421 -4.776 -11.716 1.00 0.00 H new ATOM 0 HB VAL A 103 16.320 -3.972 -11.977 1.00 0.00 H new ATOM 0 HG11 VAL A 103 15.502 -2.434 -13.748 1.00 0.00 H new ATOM 0 HG12 VAL A 103 15.226 -4.141 -14.165 1.00 0.00 H new ATOM 0 HG13 VAL A 103 13.875 -3.136 -13.589 1.00 0.00 H new ATOM 0 HG21 VAL A 103 15.491 -1.687 -11.435 1.00 0.00 H new ATOM 0 HG22 VAL A 103 13.867 -2.359 -11.155 1.00 0.00 H new ATOM 0 HG23 VAL A 103 15.220 -2.830 -10.098 1.00 0.00 H new ATOM 1568 N GLY A 104 13.851 -7.136 -12.687 1.00 0.00 N ATOM 1569 CA GLY A 104 13.997 -8.321 -13.542 1.00 0.00 C ATOM 1570 C GLY A 104 15.247 -9.145 -13.279 1.00 0.00 C ATOM 1571 O GLY A 104 15.285 -9.932 -12.331 1.00 0.00 O ATOM 0 H GLY A 104 12.951 -7.080 -12.210 1.00 0.00 H new ATOM 0 HA2 GLY A 104 13.123 -8.959 -13.408 1.00 0.00 H new ATOM 0 HA3 GLY A 104 14.002 -8.002 -14.584 1.00 0.00 H new ATOM 1575 N SER A 105 16.268 -8.965 -14.134 1.00 0.00 N ATOM 1576 CA SER A 105 17.548 -9.680 -13.993 1.00 0.00 C ATOM 1577 C SER A 105 18.391 -9.051 -12.865 1.00 0.00 C ATOM 1578 O SER A 105 19.587 -9.329 -12.713 1.00 0.00 O ATOM 1579 CB SER A 105 18.312 -9.653 -15.324 1.00 0.00 C ATOM 1580 OG SER A 105 19.458 -10.487 -15.277 1.00 0.00 O ATOM 0 H SER A 105 16.232 -8.330 -14.931 1.00 0.00 H new ATOM 0 HA SER A 105 17.348 -10.719 -13.729 1.00 0.00 H new ATOM 0 HB2 SER A 105 17.655 -9.980 -16.130 1.00 0.00 H new ATOM 0 HB3 SER A 105 18.613 -8.631 -15.553 1.00 0.00 H new ATOM 0 HG SER A 105 19.871 -10.425 -14.391 1.00 0.00 H new ATOM 1586 N THR A 106 17.711 -8.219 -12.078 1.00 0.00 N ATOM 1587 CA THR A 106 18.275 -7.513 -10.936 1.00 0.00 C ATOM 1588 C THR A 106 17.220 -7.528 -9.829 1.00 0.00 C ATOM 1589 O THR A 106 17.126 -6.612 -9.012 1.00 0.00 O ATOM 1590 CB THR A 106 18.605 -6.050 -11.309 1.00 0.00 C ATOM 1591 OG1 THR A 106 19.012 -5.966 -12.678 1.00 0.00 O ATOM 1592 CG2 THR A 106 19.701 -5.474 -10.417 1.00 0.00 C ATOM 0 H THR A 106 16.723 -8.014 -12.225 1.00 0.00 H new ATOM 0 HA THR A 106 19.198 -7.996 -10.614 1.00 0.00 H new ATOM 0 HB THR A 106 17.699 -5.464 -11.159 1.00 0.00 H new ATOM 0 HG1 THR A 106 18.224 -6.029 -13.258 1.00 0.00 H new ATOM 0 HG21 THR A 106 19.905 -4.444 -10.710 1.00 0.00 H new ATOM 0 HG22 THR A 106 19.374 -5.497 -9.378 1.00 0.00 H new ATOM 0 HG23 THR A 106 20.608 -6.068 -10.525 1.00 0.00 H new ATOM 1600 N LYS A 107 16.439 -8.608 -9.822 1.00 0.00 N ATOM 1601 CA LYS A 107 15.328 -8.795 -8.899 1.00 0.00 C ATOM 1602 C LYS A 107 15.770 -9.006 -7.431 1.00 0.00 C ATOM 1603 O LYS A 107 15.928 -10.142 -6.968 1.00 0.00 O ATOM 1604 CB LYS A 107 14.484 -9.970 -9.422 1.00 0.00 C ATOM 1605 CG LYS A 107 13.020 -9.971 -8.975 1.00 0.00 C ATOM 1606 CD LYS A 107 12.126 -9.172 -9.924 1.00 0.00 C ATOM 1607 CE LYS A 107 11.560 -10.039 -11.044 1.00 0.00 C ATOM 1608 NZ LYS A 107 10.689 -9.258 -11.964 1.00 0.00 N ATOM 0 H LYS A 107 16.565 -9.387 -10.468 1.00 0.00 H new ATOM 0 HA LYS A 107 14.736 -7.880 -8.869 1.00 0.00 H new ATOM 0 HB2 LYS A 107 14.514 -9.962 -10.512 1.00 0.00 H new ATOM 0 HB3 LYS A 107 14.947 -10.902 -9.097 1.00 0.00 H new ATOM 0 HG2 LYS A 107 12.660 -10.998 -8.918 1.00 0.00 H new ATOM 0 HG3 LYS A 107 12.948 -9.552 -7.971 1.00 0.00 H new ATOM 0 HD2 LYS A 107 11.306 -8.727 -9.361 1.00 0.00 H new ATOM 0 HD3 LYS A 107 12.698 -8.351 -10.356 1.00 0.00 H new ATOM 0 HE2 LYS A 107 12.380 -10.483 -11.609 1.00 0.00 H new ATOM 0 HE3 LYS A 107 10.988 -10.861 -10.613 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 10.324 -9.883 -12.711 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 9.893 -8.855 -11.430 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 11.241 -8.489 -12.395 1.00 0.00 H new ATOM 1622 N HIS A 108 15.967 -7.880 -6.718 1.00 0.00 N ATOM 1623 CA HIS A 108 16.331 -7.889 -5.295 1.00 0.00 C ATOM 1624 C HIS A 108 15.559 -6.756 -4.629 1.00 0.00 C ATOM 1625 O HIS A 108 15.914 -5.611 -4.768 1.00 0.00 O ATOM 1626 CB HIS A 108 17.849 -7.709 -5.071 1.00 0.00 C ATOM 1627 CG HIS A 108 18.732 -8.597 -5.909 1.00 0.00 C ATOM 1628 ND1 HIS A 108 19.797 -8.114 -6.641 1.00 0.00 N ATOM 1629 CD2 HIS A 108 18.716 -9.938 -6.122 1.00 0.00 C ATOM 1630 CE1 HIS A 108 20.394 -9.114 -7.265 1.00 0.00 C ATOM 1631 NE2 HIS A 108 19.758 -10.231 -6.965 1.00 0.00 N ATOM 0 H HIS A 108 15.878 -6.944 -7.114 1.00 0.00 H new ATOM 0 HA HIS A 108 16.076 -8.857 -4.863 1.00 0.00 H new ATOM 0 HB2 HIS A 108 18.109 -6.670 -5.274 1.00 0.00 H new ATOM 0 HB3 HIS A 108 18.069 -7.893 -4.019 1.00 0.00 H new ATOM 0 HD2 HIS A 108 18.013 -10.644 -5.705 1.00 0.00 H new ATOM 0 HE1 HIS A 108 21.256 -9.031 -7.911 1.00 0.00 H new ATOM 0 HE2 HIS A 108 20.002 -11.161 -7.305 1.00 0.00 H new ATOM 1640 N THR A 109 14.515 -7.081 -3.889 1.00 0.00 N ATOM 1641 CA THR A 109 13.652 -6.052 -3.291 1.00 0.00 C ATOM 1642 C THR A 109 13.977 -5.683 -1.843 1.00 0.00 C ATOM 1643 O THR A 109 14.109 -6.545 -0.977 1.00 0.00 O ATOM 1644 CB THR A 109 12.164 -6.484 -3.361 1.00 0.00 C ATOM 1645 OG1 THR A 109 11.925 -7.276 -4.530 1.00 0.00 O ATOM 1646 CG2 THR A 109 11.215 -5.282 -3.362 1.00 0.00 C ATOM 0 H THR A 109 14.237 -8.040 -3.682 1.00 0.00 H new ATOM 0 HA THR A 109 13.845 -5.161 -3.889 1.00 0.00 H new ATOM 0 HB THR A 109 11.964 -7.075 -2.467 1.00 0.00 H new ATOM 0 HG1 THR A 109 10.982 -7.542 -4.558 1.00 0.00 H new ATOM 0 HG21 THR A 109 10.184 -5.632 -3.412 1.00 0.00 H new ATOM 0 HG22 THR A 109 11.358 -4.705 -2.449 1.00 0.00 H new ATOM 0 HG23 THR A 109 11.426 -4.652 -4.226 1.00 0.00 H new ATOM 1654 N LEU A 110 14.111 -4.366 -1.623 1.00 0.00 N ATOM 1655 CA LEU A 110 14.320 -3.798 -0.291 1.00 0.00 C ATOM 1656 C LEU A 110 13.011 -3.106 0.167 1.00 0.00 C ATOM 1657 O LEU A 110 12.732 -1.967 -0.222 1.00 0.00 O ATOM 1658 CB LEU A 110 15.528 -2.799 -0.329 1.00 0.00 C ATOM 1659 CG LEU A 110 15.274 -1.327 -0.785 1.00 0.00 C ATOM 1660 CD1 LEU A 110 16.566 -0.536 -0.801 1.00 0.00 C ATOM 1661 CD2 LEU A 110 14.630 -1.247 -2.164 1.00 0.00 C ATOM 0 H LEU A 110 14.077 -3.669 -2.366 1.00 0.00 H new ATOM 0 HA LEU A 110 14.564 -4.580 0.428 1.00 0.00 H new ATOM 0 HB2 LEU A 110 15.959 -2.765 0.671 1.00 0.00 H new ATOM 0 HB3 LEU A 110 16.286 -3.222 -0.988 1.00 0.00 H new ATOM 0 HG LEU A 110 14.583 -0.898 -0.059 1.00 0.00 H new ATOM 0 HD11 LEU A 110 16.363 0.486 -1.122 1.00 0.00 H new ATOM 0 HD12 LEU A 110 16.997 -0.523 0.200 1.00 0.00 H new ATOM 0 HD13 LEU A 110 17.269 -1.001 -1.493 1.00 0.00 H new ATOM 0 HD21 LEU A 110 14.475 -0.202 -2.433 1.00 0.00 H new ATOM 0 HD22 LEU A 110 15.283 -1.718 -2.899 1.00 0.00 H new ATOM 0 HD23 LEU A 110 13.670 -1.764 -2.148 1.00 0.00 H new ATOM 1673 N GLN A 111 12.170 -3.785 0.960 1.00 0.00 N ATOM 1674 CA GLN A 111 10.926 -3.144 1.404 1.00 0.00 C ATOM 1675 C GLN A 111 10.561 -3.513 2.845 1.00 0.00 C ATOM 1676 O GLN A 111 9.921 -4.534 3.104 1.00 0.00 O ATOM 1677 CB GLN A 111 9.778 -3.486 0.421 1.00 0.00 C ATOM 1678 CG GLN A 111 8.473 -2.722 0.671 1.00 0.00 C ATOM 1679 CD GLN A 111 7.232 -3.472 0.202 1.00 0.00 C ATOM 1680 OE1 GLN A 111 6.198 -2.725 -0.167 1.00 0.00 O flip ATOM 1681 NE2 GLN A 111 7.194 -4.706 0.181 1.00 0.00 N flip ATOM 0 H GLN A 111 12.318 -4.737 1.295 1.00 0.00 H new ATOM 0 HA GLN A 111 11.084 -2.066 1.399 1.00 0.00 H new ATOM 0 HB2 GLN A 111 10.115 -3.281 -0.595 1.00 0.00 H new ATOM 0 HB3 GLN A 111 9.574 -4.555 0.479 1.00 0.00 H new ATOM 0 HG2 GLN A 111 8.381 -2.514 1.737 1.00 0.00 H new ATOM 0 HG3 GLN A 111 8.521 -1.760 0.161 1.00 0.00 H new ATOM 0 HE21 GLN A 111 8.009 -5.246 0.472 1.00 0.00 H new ATOM 0 HE22 GLN A 111 6.348 -5.185 -0.127 1.00 0.00 H new ATOM 1690 N ALA A 112 10.988 -2.652 3.768 1.00 0.00 N ATOM 1691 CA ALA A 112 10.686 -2.796 5.188 1.00 0.00 C ATOM 1692 C ALA A 112 9.763 -1.666 5.633 1.00 0.00 C ATOM 1693 O ALA A 112 10.224 -0.557 5.932 1.00 0.00 O ATOM 1694 CB ALA A 112 11.966 -2.844 6.018 1.00 0.00 C ATOM 0 H ALA A 112 11.555 -1.833 3.549 1.00 0.00 H new ATOM 0 HA ALA A 112 10.170 -3.742 5.349 1.00 0.00 H new ATOM 0 HB1 ALA A 112 11.712 -2.952 7.073 1.00 0.00 H new ATOM 0 HB2 ALA A 112 12.573 -3.693 5.702 1.00 0.00 H new ATOM 0 HB3 ALA A 112 12.529 -1.922 5.873 1.00 0.00 H new ATOM 1700 N ILE A 113 8.458 -1.940 5.653 1.00 0.00 N ATOM 1701 CA ILE A 113 7.480 -0.926 6.046 1.00 0.00 C ATOM 1702 C ILE A 113 6.989 -1.130 7.480 1.00 0.00 C ATOM 1703 O ILE A 113 7.323 -0.326 8.355 1.00 0.00 O ATOM 1704 CB ILE A 113 6.267 -0.823 5.070 1.00 0.00 C ATOM 1705 CG1 ILE A 113 6.082 -2.110 4.247 1.00 0.00 C ATOM 1706 CG2 ILE A 113 6.430 0.376 4.163 1.00 0.00 C ATOM 1707 CD1 ILE A 113 5.036 -2.043 3.140 1.00 0.00 C ATOM 0 H ILE A 113 8.057 -2.845 5.405 1.00 0.00 H new ATOM 0 HA ILE A 113 8.016 0.022 5.992 1.00 0.00 H new ATOM 0 HB ILE A 113 5.366 -0.694 5.670 1.00 0.00 H new ATOM 0 HG12 ILE A 113 7.040 -2.374 3.800 1.00 0.00 H new ATOM 0 HG13 ILE A 113 5.813 -2.918 4.927 1.00 0.00 H new ATOM 0 HG21 ILE A 113 5.578 0.439 3.486 1.00 0.00 H new ATOM 0 HG22 ILE A 113 6.482 1.283 4.765 1.00 0.00 H new ATOM 0 HG23 ILE A 113 7.347 0.272 3.583 1.00 0.00 H new ATOM 0 HD11 ILE A 113 4.989 -3.003 2.625 1.00 0.00 H new ATOM 0 HD12 ILE A 113 4.062 -1.815 3.573 1.00 0.00 H new ATOM 0 HD13 ILE A 113 5.308 -1.263 2.429 1.00 0.00 H new ATOM 1719 N GLU A 114 6.206 -2.203 7.732 1.00 0.00 N ATOM 1720 CA GLU A 114 5.657 -2.473 9.088 1.00 0.00 C ATOM 1721 C GLU A 114 4.970 -3.853 9.098 1.00 0.00 C ATOM 1722 O GLU A 114 5.127 -4.611 8.149 1.00 0.00 O ATOM 1723 CB GLU A 114 4.693 -1.293 9.483 1.00 0.00 C ATOM 1724 CG GLU A 114 3.461 -1.634 10.326 1.00 0.00 C ATOM 1725 CD GLU A 114 3.719 -1.527 11.816 1.00 0.00 C ATOM 1726 OE1 GLU A 114 4.127 -2.540 12.423 1.00 0.00 O ATOM 1727 OE2 GLU A 114 3.512 -0.431 12.377 1.00 0.00 O ATOM 0 H GLU A 114 5.940 -2.890 7.027 1.00 0.00 H new ATOM 0 HA GLU A 114 6.447 -2.514 9.838 1.00 0.00 H new ATOM 0 HB2 GLU A 114 5.277 -0.550 10.027 1.00 0.00 H new ATOM 0 HB3 GLU A 114 4.350 -0.818 8.564 1.00 0.00 H new ATOM 0 HG2 GLU A 114 2.645 -0.965 10.055 1.00 0.00 H new ATOM 0 HG3 GLU A 114 3.135 -2.647 10.090 1.00 0.00 H new ATOM 1734 N THR A 115 4.310 -4.222 10.206 1.00 0.00 N ATOM 1735 CA THR A 115 3.561 -5.471 10.249 1.00 0.00 C ATOM 1736 C THR A 115 2.083 -5.150 10.536 1.00 0.00 C ATOM 1737 O THR A 115 1.602 -5.271 11.670 1.00 0.00 O ATOM 1738 CB THR A 115 4.126 -6.450 11.315 1.00 0.00 C ATOM 1739 OG1 THR A 115 5.547 -6.291 11.431 1.00 0.00 O ATOM 1740 CG2 THR A 115 3.817 -7.900 10.953 1.00 0.00 C ATOM 0 H THR A 115 4.284 -3.678 11.068 1.00 0.00 H new ATOM 0 HA THR A 115 3.655 -5.970 9.284 1.00 0.00 H new ATOM 0 HB THR A 115 3.647 -6.214 12.265 1.00 0.00 H new ATOM 0 HG1 THR A 115 5.892 -6.912 12.107 1.00 0.00 H new ATOM 0 HG21 THR A 115 4.225 -8.561 11.718 1.00 0.00 H new ATOM 0 HG22 THR A 115 2.737 -8.038 10.893 1.00 0.00 H new ATOM 0 HG23 THR A 115 4.267 -8.138 9.990 1.00 0.00 H new ATOM 1748 N ARG A 116 1.387 -4.714 9.477 1.00 0.00 N ATOM 1749 CA ARG A 116 -0.040 -4.377 9.534 1.00 0.00 C ATOM 1750 C ARG A 116 -0.751 -4.972 8.335 1.00 0.00 C ATOM 1751 O ARG A 116 -0.423 -4.633 7.207 1.00 0.00 O ATOM 1752 CB ARG A 116 -0.241 -2.850 9.598 1.00 0.00 C ATOM 1753 CG ARG A 116 -1.523 -2.409 10.310 1.00 0.00 C ATOM 1754 CD ARG A 116 -1.353 -2.333 11.827 1.00 0.00 C ATOM 1755 NE ARG A 116 -1.245 -3.662 12.444 1.00 0.00 N ATOM 1756 CZ ARG A 116 -0.920 -3.884 13.726 1.00 0.00 C ATOM 1757 NH1 ARG A 116 -0.664 -2.876 14.557 1.00 0.00 N ATOM 1758 NH2 ARG A 116 -0.852 -5.129 14.177 1.00 0.00 N ATOM 0 H ARG A 116 1.801 -4.585 8.554 1.00 0.00 H new ATOM 0 HA ARG A 116 -0.469 -4.801 10.442 1.00 0.00 H new ATOM 0 HB2 ARG A 116 0.614 -2.404 10.107 1.00 0.00 H new ATOM 0 HB3 ARG A 116 -0.250 -2.454 8.582 1.00 0.00 H new ATOM 0 HG2 ARG A 116 -1.827 -1.433 9.932 1.00 0.00 H new ATOM 0 HG3 ARG A 116 -2.326 -3.107 10.072 1.00 0.00 H new ATOM 0 HD2 ARG A 116 -0.461 -1.753 12.062 1.00 0.00 H new ATOM 0 HD3 ARG A 116 -2.201 -1.802 12.259 1.00 0.00 H new ATOM 0 HE ARG A 116 -1.430 -4.474 11.855 1.00 0.00 H new ATOM 0 HH11 ARG A 116 -0.713 -1.914 14.222 1.00 0.00 H new ATOM 0 HH12 ARG A 116 -0.419 -3.066 15.529 1.00 0.00 H new ATOM 0 HH21 ARG A 116 -1.046 -5.910 13.550 1.00 0.00 H new ATOM 0 HH22 ARG A 116 -0.605 -5.306 15.151 1.00 0.00 H new ATOM 1772 N VAL A 117 -1.707 -5.865 8.588 1.00 0.00 N ATOM 1773 CA VAL A 117 -2.450 -6.534 7.528 1.00 0.00 C ATOM 1774 C VAL A 117 -3.973 -6.421 7.739 1.00 0.00 C ATOM 1775 O VAL A 117 -4.551 -7.242 8.463 1.00 0.00 O ATOM 1776 CB VAL A 117 -2.035 -8.044 7.448 1.00 0.00 C ATOM 1777 CG1 VAL A 117 -2.664 -8.734 6.253 1.00 0.00 C ATOM 1778 CG2 VAL A 117 -0.518 -8.218 7.402 1.00 0.00 C ATOM 0 H VAL A 117 -1.985 -6.142 9.529 1.00 0.00 H new ATOM 0 HA VAL A 117 -2.204 -6.037 6.590 1.00 0.00 H new ATOM 0 HB VAL A 117 -2.407 -8.512 8.359 1.00 0.00 H new ATOM 0 HG11 VAL A 117 -2.353 -9.779 6.231 1.00 0.00 H new ATOM 0 HG12 VAL A 117 -3.750 -8.680 6.332 1.00 0.00 H new ATOM 0 HG13 VAL A 117 -2.342 -8.240 5.336 1.00 0.00 H new ATOM 0 HG21 VAL A 117 -0.275 -9.279 7.347 1.00 0.00 H new ATOM 0 HG22 VAL A 117 -0.120 -7.709 6.524 1.00 0.00 H new ATOM 0 HG23 VAL A 117 -0.075 -7.791 8.302 1.00 0.00 H new ATOM 1788 N LEU A 118 -4.630 -5.404 7.141 1.00 0.00 N ATOM 1789 CA LEU A 118 -6.081 -5.311 7.263 1.00 0.00 C ATOM 1790 C LEU A 118 -6.713 -5.679 5.922 1.00 0.00 C ATOM 1791 O LEU A 118 -6.540 -4.965 4.932 1.00 0.00 O ATOM 1792 CB LEU A 118 -6.522 -3.911 7.743 1.00 0.00 C ATOM 1793 CG LEU A 118 -6.354 -3.582 9.257 1.00 0.00 C ATOM 1794 CD1 LEU A 118 -7.082 -4.588 10.148 1.00 0.00 C ATOM 1795 CD2 LEU A 118 -4.880 -3.491 9.647 1.00 0.00 C ATOM 0 H LEU A 118 -4.190 -4.667 6.591 1.00 0.00 H new ATOM 0 HA LEU A 118 -6.425 -6.013 8.022 1.00 0.00 H new ATOM 0 HB2 LEU A 118 -5.962 -3.169 7.174 1.00 0.00 H new ATOM 0 HB3 LEU A 118 -7.574 -3.783 7.486 1.00 0.00 H new ATOM 0 HG LEU A 118 -6.813 -2.606 9.417 1.00 0.00 H new ATOM 0 HD11 LEU A 118 -6.937 -4.319 11.194 1.00 0.00 H new ATOM 0 HD12 LEU A 118 -8.147 -4.577 9.915 1.00 0.00 H new ATOM 0 HD13 LEU A 118 -6.682 -5.587 9.971 1.00 0.00 H new ATOM 0 HD21 LEU A 118 -4.798 -3.260 10.709 1.00 0.00 H new ATOM 0 HD22 LEU A 118 -4.390 -4.443 9.444 1.00 0.00 H new ATOM 0 HD23 LEU A 118 -4.398 -2.704 9.067 1.00 0.00 H new ATOM 1807 N ALA A 119 -7.423 -6.827 5.900 1.00 0.00 N ATOM 1808 CA ALA A 119 -8.073 -7.368 4.684 1.00 0.00 C ATOM 1809 C ALA A 119 -8.943 -6.341 3.955 1.00 0.00 C ATOM 1810 O ALA A 119 -9.990 -5.921 4.464 1.00 0.00 O ATOM 1811 CB ALA A 119 -8.894 -8.601 5.042 1.00 0.00 C ATOM 0 H ALA A 119 -7.563 -7.408 6.727 1.00 0.00 H new ATOM 0 HA ALA A 119 -7.275 -7.639 3.992 1.00 0.00 H new ATOM 0 HB1 ALA A 119 -9.370 -8.995 4.144 1.00 0.00 H new ATOM 0 HB2 ALA A 119 -8.241 -9.362 5.470 1.00 0.00 H new ATOM 0 HB3 ALA A 119 -9.660 -8.330 5.769 1.00 0.00 H new ATOM 1817 N GLY A 120 -8.483 -5.929 2.758 1.00 0.00 N ATOM 1818 CA GLY A 120 -9.206 -4.952 1.970 1.00 0.00 C ATOM 1819 C GLY A 120 -8.785 -3.538 2.312 1.00 0.00 C ATOM 1820 O GLY A 120 -9.128 -2.583 1.615 1.00 0.00 O ATOM 0 H GLY A 120 -7.619 -6.263 2.331 1.00 0.00 H new ATOM 0 HA2 GLY A 120 -9.032 -5.138 0.910 1.00 0.00 H new ATOM 0 HA3 GLY A 120 -10.276 -5.065 2.142 1.00 0.00 H new ATOM 1824 N SER A 121 -8.047 -3.431 3.411 1.00 0.00 N ATOM 1825 CA SER A 121 -7.531 -2.180 3.900 1.00 0.00 C ATOM 1826 C SER A 121 -6.004 -2.188 3.781 1.00 0.00 C ATOM 1827 O SER A 121 -5.432 -3.075 3.138 1.00 0.00 O ATOM 1828 CB SER A 121 -8.025 -1.898 5.327 1.00 0.00 C ATOM 1829 OG SER A 121 -7.793 -0.547 5.677 1.00 0.00 O ATOM 0 H SER A 121 -7.792 -4.231 3.990 1.00 0.00 H new ATOM 0 HA SER A 121 -7.908 -1.358 3.292 1.00 0.00 H new ATOM 0 HB2 SER A 121 -9.090 -2.120 5.400 1.00 0.00 H new ATOM 0 HB3 SER A 121 -7.514 -2.555 6.031 1.00 0.00 H new ATOM 0 HG SER A 121 -7.575 -0.033 4.871 1.00 0.00 H new ATOM 1835 N LYS A 122 -5.351 -1.205 4.394 1.00 0.00 N ATOM 1836 CA LYS A 122 -3.906 -1.028 4.299 1.00 0.00 C ATOM 1837 C LYS A 122 -3.114 -2.157 4.948 1.00 0.00 C ATOM 1838 O LYS A 122 -3.572 -2.816 5.898 1.00 0.00 O ATOM 1839 CB LYS A 122 -3.512 0.322 4.907 1.00 0.00 C ATOM 1840 CG LYS A 122 -4.133 1.513 4.170 1.00 0.00 C ATOM 1841 CD LYS A 122 -3.158 2.195 3.204 1.00 0.00 C ATOM 1842 CE LYS A 122 -3.107 1.506 1.843 1.00 0.00 C ATOM 1843 NZ LYS A 122 -2.281 2.268 0.866 1.00 0.00 N ATOM 0 H LYS A 122 -5.813 -0.505 4.974 1.00 0.00 H new ATOM 0 HA LYS A 122 -3.651 -1.051 3.239 1.00 0.00 H new ATOM 0 HB2 LYS A 122 -3.820 0.348 5.952 1.00 0.00 H new ATOM 0 HB3 LYS A 122 -2.426 0.418 4.892 1.00 0.00 H new ATOM 0 HG2 LYS A 122 -5.008 1.174 3.615 1.00 0.00 H new ATOM 0 HG3 LYS A 122 -4.482 2.243 4.900 1.00 0.00 H new ATOM 0 HD2 LYS A 122 -3.453 3.236 3.070 1.00 0.00 H new ATOM 0 HD3 LYS A 122 -2.160 2.200 3.643 1.00 0.00 H new ATOM 0 HE2 LYS A 122 -2.698 0.502 1.959 1.00 0.00 H new ATOM 0 HE3 LYS A 122 -4.119 1.395 1.454 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 -2.271 1.767 -0.046 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 -2.685 3.217 0.735 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 -1.309 2.352 1.225 1.00 0.00 H new ATOM 1857 N MET A 123 -1.934 -2.390 4.369 1.00 0.00 N ATOM 1858 CA MET A 123 -1.009 -3.406 4.842 1.00 0.00 C ATOM 1859 C MET A 123 0.433 -2.998 4.571 1.00 0.00 C ATOM 1860 O MET A 123 0.814 -2.701 3.435 1.00 0.00 O ATOM 1861 CB MET A 123 -1.303 -4.782 4.211 1.00 0.00 C ATOM 1862 CG MET A 123 -0.415 -5.918 4.744 1.00 0.00 C ATOM 1863 SD MET A 123 1.237 -5.982 4.009 1.00 0.00 S ATOM 1864 CE MET A 123 0.889 -6.573 2.358 1.00 0.00 C ATOM 0 H MET A 123 -1.598 -1.874 3.556 1.00 0.00 H new ATOM 0 HA MET A 123 -1.150 -3.494 5.919 1.00 0.00 H new ATOM 0 HB2 MET A 123 -2.348 -5.037 4.391 1.00 0.00 H new ATOM 0 HB3 MET A 123 -1.174 -4.710 3.131 1.00 0.00 H new ATOM 0 HG2 MET A 123 -0.315 -5.809 5.824 1.00 0.00 H new ATOM 0 HG3 MET A 123 -0.916 -6.869 4.565 1.00 0.00 H new ATOM 0 HE1 MET A 123 1.777 -7.055 1.949 1.00 0.00 H new ATOM 0 HE2 MET A 123 0.070 -7.291 2.394 1.00 0.00 H new ATOM 0 HE3 MET A 123 0.607 -5.733 1.723 1.00 0.00 H new ATOM 1874 N THR A 124 1.206 -2.990 5.645 1.00 0.00 N ATOM 1875 CA THR A 124 2.623 -2.690 5.604 1.00 0.00 C ATOM 1876 C THR A 124 3.374 -3.941 6.026 1.00 0.00 C ATOM 1877 O THR A 124 3.009 -4.561 7.028 1.00 0.00 O ATOM 1878 CB THR A 124 2.965 -1.522 6.538 1.00 0.00 C ATOM 1879 OG1 THR A 124 2.163 -1.597 7.720 1.00 0.00 O ATOM 1880 CG2 THR A 124 2.729 -0.180 5.857 1.00 0.00 C ATOM 0 H THR A 124 0.859 -3.195 6.582 1.00 0.00 H new ATOM 0 HA THR A 124 2.910 -2.393 4.595 1.00 0.00 H new ATOM 0 HB THR A 124 4.021 -1.598 6.796 1.00 0.00 H new ATOM 0 HG1 THR A 124 1.874 -0.696 7.977 1.00 0.00 H new ATOM 0 HG21 THR A 124 2.981 0.627 6.546 1.00 0.00 H new ATOM 0 HG22 THR A 124 3.356 -0.108 4.968 1.00 0.00 H new ATOM 0 HG23 THR A 124 1.681 -0.097 5.569 1.00 0.00 H new ATOM 1888 N VAL A 125 4.378 -4.345 5.238 1.00 0.00 N ATOM 1889 CA VAL A 125 5.136 -5.570 5.534 1.00 0.00 C ATOM 1890 C VAL A 125 6.666 -5.397 5.447 1.00 0.00 C ATOM 1891 O VAL A 125 7.169 -4.513 4.755 1.00 0.00 O ATOM 1892 CB VAL A 125 4.632 -6.725 4.624 1.00 0.00 C ATOM 1893 CG1 VAL A 125 5.111 -6.597 3.175 1.00 0.00 C ATOM 1894 CG2 VAL A 125 4.980 -8.097 5.200 1.00 0.00 C ATOM 0 H VAL A 125 4.683 -3.850 4.400 1.00 0.00 H new ATOM 0 HA VAL A 125 4.947 -5.820 6.578 1.00 0.00 H new ATOM 0 HB VAL A 125 3.546 -6.636 4.604 1.00 0.00 H new ATOM 0 HG11 VAL A 125 4.727 -7.432 2.590 1.00 0.00 H new ATOM 0 HG12 VAL A 125 4.747 -5.660 2.753 1.00 0.00 H new ATOM 0 HG13 VAL A 125 6.201 -6.607 3.150 1.00 0.00 H new ATOM 0 HG21 VAL A 125 4.610 -8.876 4.533 1.00 0.00 H new ATOM 0 HG22 VAL A 125 6.062 -8.187 5.298 1.00 0.00 H new ATOM 0 HG23 VAL A 125 4.517 -8.208 6.180 1.00 0.00 H new ATOM 1904 N ALA A 126 7.390 -6.271 6.154 1.00 0.00 N ATOM 1905 CA ALA A 126 8.847 -6.258 6.121 1.00 0.00 C ATOM 1906 C ALA A 126 9.339 -7.415 5.256 1.00 0.00 C ATOM 1907 O ALA A 126 9.263 -8.583 5.658 1.00 0.00 O ATOM 1908 CB ALA A 126 9.420 -6.334 7.533 1.00 0.00 C ATOM 0 H ALA A 126 6.988 -6.992 6.753 1.00 0.00 H new ATOM 0 HA ALA A 126 9.193 -5.321 5.684 1.00 0.00 H new ATOM 0 HB1 ALA A 126 10.509 -6.323 7.485 1.00 0.00 H new ATOM 0 HB2 ALA A 126 9.074 -5.478 8.113 1.00 0.00 H new ATOM 0 HB3 ALA A 126 9.087 -7.255 8.012 1.00 0.00 H new ATOM 1914 N ARG A 127 9.828 -7.081 4.051 1.00 0.00 N ATOM 1915 CA ARG A 127 10.305 -8.093 3.102 1.00 0.00 C ATOM 1916 C ARG A 127 11.481 -7.599 2.255 1.00 0.00 C ATOM 1917 O ARG A 127 11.409 -6.540 1.611 1.00 0.00 O ATOM 1918 CB ARG A 127 9.159 -8.538 2.177 1.00 0.00 C ATOM 1919 CG ARG A 127 9.232 -10.003 1.760 1.00 0.00 C ATOM 1920 CD ARG A 127 8.084 -10.386 0.836 1.00 0.00 C ATOM 1921 NE ARG A 127 6.805 -10.500 1.551 1.00 0.00 N ATOM 1922 CZ ARG A 127 5.628 -10.773 0.972 1.00 0.00 C ATOM 1923 NH1 ARG A 127 5.535 -10.968 -0.343 1.00 0.00 N ATOM 1924 NH2 ARG A 127 4.534 -10.852 1.717 1.00 0.00 N ATOM 0 H ARG A 127 9.902 -6.121 3.714 1.00 0.00 H new ATOM 0 HA ARG A 127 10.658 -8.937 3.695 1.00 0.00 H new ATOM 0 HB2 ARG A 127 8.209 -8.361 2.682 1.00 0.00 H new ATOM 0 HB3 ARG A 127 9.165 -7.915 1.282 1.00 0.00 H new ATOM 0 HG2 ARG A 127 10.181 -10.191 1.258 1.00 0.00 H new ATOM 0 HG3 ARG A 127 9.210 -10.635 2.648 1.00 0.00 H new ATOM 0 HD2 ARG A 127 7.991 -9.639 0.047 1.00 0.00 H new ATOM 0 HD3 ARG A 127 8.312 -11.335 0.351 1.00 0.00 H new ATOM 0 HE ARG A 127 6.814 -10.361 2.561 1.00 0.00 H new ATOM 0 HH11 ARG A 127 6.369 -10.910 -0.927 1.00 0.00 H new ATOM 0 HH12 ARG A 127 4.630 -11.175 -0.765 1.00 0.00 H new ATOM 0 HH21 ARG A 127 4.592 -10.705 2.725 1.00 0.00 H new ATOM 0 HH22 ARG A 127 3.635 -11.059 1.282 1.00 0.00 H new ATOM 1938 N VAL A 128 12.571 -8.366 2.298 1.00 0.00 N ATOM 1939 CA VAL A 128 13.761 -8.087 1.497 1.00 0.00 C ATOM 1940 C VAL A 128 14.096 -9.308 0.626 1.00 0.00 C ATOM 1941 O VAL A 128 14.622 -10.309 1.125 1.00 0.00 O ATOM 1942 CB VAL A 128 14.992 -7.628 2.358 1.00 0.00 C ATOM 1943 CG1 VAL A 128 15.225 -8.525 3.569 1.00 0.00 C ATOM 1944 CG2 VAL A 128 16.268 -7.536 1.517 1.00 0.00 C ATOM 0 H VAL A 128 12.653 -9.195 2.887 1.00 0.00 H new ATOM 0 HA VAL A 128 13.532 -7.240 0.850 1.00 0.00 H new ATOM 0 HB VAL A 128 14.746 -6.632 2.726 1.00 0.00 H new ATOM 0 HG11 VAL A 128 16.087 -8.163 4.129 1.00 0.00 H new ATOM 0 HG12 VAL A 128 14.343 -8.508 4.209 1.00 0.00 H new ATOM 0 HG13 VAL A 128 15.411 -9.546 3.235 1.00 0.00 H new ATOM 0 HG21 VAL A 128 17.097 -7.216 2.148 1.00 0.00 H new ATOM 0 HG22 VAL A 128 16.494 -8.513 1.090 1.00 0.00 H new ATOM 0 HG23 VAL A 128 16.123 -6.814 0.714 1.00 0.00 H new ATOM 1954 N VAL A 129 13.776 -9.214 -0.670 1.00 0.00 N ATOM 1955 CA VAL A 129 14.050 -10.297 -1.624 1.00 0.00 C ATOM 1956 C VAL A 129 15.495 -10.180 -2.120 1.00 0.00 C ATOM 1957 O VAL A 129 15.814 -9.305 -2.928 1.00 0.00 O ATOM 1958 CB VAL A 129 13.052 -10.297 -2.829 1.00 0.00 C ATOM 1959 CG1 VAL A 129 13.179 -11.574 -3.660 1.00 0.00 C ATOM 1960 CG2 VAL A 129 11.610 -10.135 -2.356 1.00 0.00 C ATOM 0 H VAL A 129 13.326 -8.397 -1.084 1.00 0.00 H new ATOM 0 HA VAL A 129 13.912 -11.246 -1.106 1.00 0.00 H new ATOM 0 HB VAL A 129 13.314 -9.445 -3.456 1.00 0.00 H new ATOM 0 HG11 VAL A 129 12.472 -11.541 -4.489 1.00 0.00 H new ATOM 0 HG12 VAL A 129 14.193 -11.654 -4.052 1.00 0.00 H new ATOM 0 HG13 VAL A 129 12.963 -12.439 -3.033 1.00 0.00 H new ATOM 0 HG21 VAL A 129 10.942 -10.139 -3.217 1.00 0.00 H new ATOM 0 HG22 VAL A 129 11.350 -10.959 -1.692 1.00 0.00 H new ATOM 0 HG23 VAL A 129 11.506 -9.191 -1.821 1.00 0.00 H new