USER MOD reduce.3.24.130724 H: found=0, std=0, add=833, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 828 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 3 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 9:sc= 0.432 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 11 SER OG : rot 36:sc= 0.535 USER MOD Single : A 13 TYR OH : rot 180:sc= -0.0125 USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 113:sc= 0.801 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 SER OG : rot -56:sc= 0.68 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 HIS :FLIP no HE2:sc= -7.1! C(o=-10!,f=-7.1!) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 ASN :FLIP amide:sc= 0.649 F(o=-0.071,f=0.65) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot -61:sc= 0.321 USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 51 GLN : amide:sc= -1.96! X(o=-2!,f=-1.9) USER MOD Single : A 57 THR OG1 : rot 180:sc= -1.71! USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 66 SER OG : rot 180:sc= -0.0127 USER MOD Single : A 68 SER OG : rot 180:sc= -0.298 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 GLN : amide:sc= -0.137 K(o=-0.14,f=-1.7!) USER MOD Single : A 75 HIS : no HD1:sc= -3.71! C(o=-3.7!,f=-4.4!) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 91 THR OG1 : rot -110:sc= -2.26! USER MOD Single : A 92 GLN : amide:sc= -0.509 X(o=-0.51,f=-0.22) USER MOD Single : A 99 GLN : amide:sc= -0.0368 K(o=-0.037,f=-0.88) USER MOD Single : A 102 THR OG1 : rot 180:sc= -0.292 USER MOD Single : A 104 SER OG : rot 3:sc= 1.23 USER MOD Single : A 107 SER OG : rot 8:sc= 0.499! USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -14.950 -9.013 -1.333 1.00 0.00 N ATOM 2 CA GLY A 1 -14.285 -8.097 -0.422 1.00 0.00 C ATOM 3 C GLY A 1 -14.747 -8.326 1.019 1.00 0.00 C ATOM 4 O GLY A 1 -15.692 -7.687 1.480 1.00 0.00 O ATOM 0 H1 GLY A 1 -14.620 -8.838 -2.304 1.00 0.00 H new ATOM 0 H2 GLY A 1 -14.728 -9.993 -1.063 1.00 0.00 H new ATOM 0 H3 GLY A 1 -15.978 -8.865 -1.285 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -13.205 -8.233 -0.488 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -14.495 -7.069 -0.716 1.00 0.00 H new ATOM 8 N SER A 2 -14.060 -9.239 1.690 1.00 0.00 N ATOM 9 CA SER A 2 -14.389 -9.559 3.068 1.00 0.00 C ATOM 10 C SER A 2 -13.149 -10.088 3.792 1.00 0.00 C ATOM 11 O SER A 2 -12.736 -11.226 3.573 1.00 0.00 O ATOM 12 CB SER A 2 -15.522 -10.584 3.140 1.00 0.00 C ATOM 13 OG SER A 2 -16.781 -10.013 2.792 1.00 0.00 O ATOM 0 H SER A 2 -13.277 -9.767 1.305 1.00 0.00 H new ATOM 0 HA SER A 2 -14.728 -8.647 3.559 1.00 0.00 H new ATOM 0 HB2 SER A 2 -15.303 -11.415 2.469 1.00 0.00 H new ATOM 0 HB3 SER A 2 -15.576 -10.994 4.148 1.00 0.00 H new ATOM 0 HG SER A 2 -16.644 -9.107 2.444 1.00 0.00 H new ATOM 19 N SER A 3 -12.589 -9.237 4.640 1.00 0.00 N ATOM 20 CA SER A 3 -11.405 -9.604 5.397 1.00 0.00 C ATOM 21 C SER A 3 -11.577 -9.205 6.864 1.00 0.00 C ATOM 22 O SER A 3 -12.410 -8.359 7.187 1.00 0.00 O ATOM 23 CB SER A 3 -10.152 -8.949 4.812 1.00 0.00 C ATOM 24 OG SER A 3 -10.325 -7.549 4.614 1.00 0.00 O ATOM 0 H SER A 3 -12.934 -8.294 4.819 1.00 0.00 H new ATOM 0 HA SER A 3 -11.280 -10.685 5.333 1.00 0.00 H new ATOM 0 HB2 SER A 3 -9.308 -9.119 5.481 1.00 0.00 H new ATOM 0 HB3 SER A 3 -9.906 -9.422 3.861 1.00 0.00 H new ATOM 0 HG SER A 3 -9.503 -7.167 4.241 1.00 0.00 H new ATOM 30 N GLY A 4 -10.776 -9.832 7.713 1.00 0.00 N ATOM 31 CA GLY A 4 -10.829 -9.552 9.137 1.00 0.00 C ATOM 32 C GLY A 4 -10.173 -8.208 9.457 1.00 0.00 C ATOM 33 O GLY A 4 -9.167 -8.156 10.164 1.00 0.00 O ATOM 0 H GLY A 4 -10.087 -10.533 7.442 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -11.867 -9.543 9.471 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -10.324 -10.347 9.686 1.00 0.00 H new ATOM 37 N SER A 5 -10.769 -7.152 8.922 1.00 0.00 N ATOM 38 CA SER A 5 -10.254 -5.811 9.141 1.00 0.00 C ATOM 39 C SER A 5 -11.401 -4.862 9.496 1.00 0.00 C ATOM 40 O SER A 5 -12.263 -4.586 8.663 1.00 0.00 O ATOM 41 CB SER A 5 -9.505 -5.300 7.909 1.00 0.00 C ATOM 42 OG SER A 5 -8.476 -6.197 7.500 1.00 0.00 O ATOM 0 H SER A 5 -11.604 -7.198 8.337 1.00 0.00 H new ATOM 0 HA SER A 5 -9.549 -5.847 9.972 1.00 0.00 H new ATOM 0 HB2 SER A 5 -10.209 -5.158 7.089 1.00 0.00 H new ATOM 0 HB3 SER A 5 -9.070 -4.325 8.128 1.00 0.00 H new ATOM 0 HG SER A 5 -8.022 -5.836 6.710 1.00 0.00 H new ATOM 48 N SER A 6 -11.374 -4.390 10.733 1.00 0.00 N ATOM 49 CA SER A 6 -12.401 -3.478 11.208 1.00 0.00 C ATOM 50 C SER A 6 -12.286 -2.136 10.483 1.00 0.00 C ATOM 51 O SER A 6 -11.184 -1.629 10.279 1.00 0.00 O ATOM 52 CB SER A 6 -12.299 -3.274 12.721 1.00 0.00 C ATOM 53 OG SER A 6 -13.163 -4.152 13.438 1.00 0.00 O ATOM 0 H SER A 6 -10.658 -4.622 11.421 1.00 0.00 H new ATOM 0 HA SER A 6 -13.375 -3.918 10.992 1.00 0.00 H new ATOM 0 HB2 SER A 6 -11.270 -3.438 13.040 1.00 0.00 H new ATOM 0 HB3 SER A 6 -12.548 -2.241 12.965 1.00 0.00 H new ATOM 0 HG SER A 6 -13.067 -3.992 14.400 1.00 0.00 H new ATOM 59 N GLY A 7 -13.439 -1.599 10.112 1.00 0.00 N ATOM 60 CA GLY A 7 -13.481 -0.325 9.413 1.00 0.00 C ATOM 61 C GLY A 7 -12.873 -0.447 8.015 1.00 0.00 C ATOM 62 O GLY A 7 -13.140 -1.412 7.300 1.00 0.00 O ATOM 0 H GLY A 7 -14.351 -2.023 10.282 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -14.513 0.018 9.336 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -12.937 0.426 9.986 1.00 0.00 H new ATOM 66 N SER A 8 -12.067 0.545 7.666 1.00 0.00 N ATOM 67 CA SER A 8 -11.419 0.561 6.365 1.00 0.00 C ATOM 68 C SER A 8 -10.195 -0.356 6.379 1.00 0.00 C ATOM 69 O SER A 8 -9.516 -0.475 7.398 1.00 0.00 O ATOM 70 CB SER A 8 -11.013 1.982 5.970 1.00 0.00 C ATOM 71 OG SER A 8 -12.116 2.884 6.010 1.00 0.00 O ATOM 0 H SER A 8 -11.848 1.344 8.261 1.00 0.00 H new ATOM 0 HA SER A 8 -12.130 0.196 5.624 1.00 0.00 H new ATOM 0 HB2 SER A 8 -10.231 2.336 6.642 1.00 0.00 H new ATOM 0 HB3 SER A 8 -10.589 1.972 4.966 1.00 0.00 H new ATOM 0 HG SER A 8 -11.815 3.781 5.753 1.00 0.00 H new ATOM 77 N THR A 9 -9.951 -0.981 5.237 1.00 0.00 N ATOM 78 CA THR A 9 -8.820 -1.884 5.105 1.00 0.00 C ATOM 79 C THR A 9 -7.605 -1.330 5.851 1.00 0.00 C ATOM 80 O THR A 9 -7.084 -1.973 6.760 1.00 0.00 O ATOM 81 CB THR A 9 -8.566 -2.109 3.613 1.00 0.00 C ATOM 82 OG1 THR A 9 -9.658 -2.923 3.194 1.00 0.00 O ATOM 83 CG2 THR A 9 -7.333 -2.976 3.352 1.00 0.00 C ATOM 0 H THR A 9 -10.517 -0.880 4.394 1.00 0.00 H new ATOM 0 HA THR A 9 -9.030 -2.850 5.563 1.00 0.00 H new ATOM 0 HB THR A 9 -8.443 -1.146 3.117 1.00 0.00 H new ATOM 0 HG1 THR A 9 -9.574 -3.116 2.237 1.00 0.00 H new ATOM 0 HG21 THR A 9 -7.199 -3.104 2.278 1.00 0.00 H new ATOM 0 HG22 THR A 9 -6.452 -2.491 3.772 1.00 0.00 H new ATOM 0 HG23 THR A 9 -7.468 -3.951 3.819 1.00 0.00 H new ATOM 91 N MET A 10 -7.188 -0.142 5.438 1.00 0.00 N ATOM 92 CA MET A 10 -6.044 0.506 6.056 1.00 0.00 C ATOM 93 C MET A 10 -6.224 2.026 6.086 1.00 0.00 C ATOM 94 O MET A 10 -6.704 2.616 5.120 1.00 0.00 O ATOM 95 CB MET A 10 -4.776 0.158 5.274 1.00 0.00 C ATOM 96 CG MET A 10 -3.738 -0.506 6.181 1.00 0.00 C ATOM 97 SD MET A 10 -3.258 0.616 7.484 1.00 0.00 S ATOM 98 CE MET A 10 -2.034 -0.381 8.317 1.00 0.00 C ATOM 0 H MET A 10 -7.622 0.389 4.683 1.00 0.00 H new ATOM 0 HA MET A 10 -5.959 0.149 7.082 1.00 0.00 H new ATOM 0 HB2 MET A 10 -5.025 -0.510 4.450 1.00 0.00 H new ATOM 0 HB3 MET A 10 -4.355 1.063 4.835 1.00 0.00 H new ATOM 0 HG2 MET A 10 -4.149 -1.420 6.610 1.00 0.00 H new ATOM 0 HG3 MET A 10 -2.864 -0.793 5.597 1.00 0.00 H new ATOM 0 HE1 MET A 10 -1.628 0.173 9.164 1.00 0.00 H new ATOM 0 HE2 MET A 10 -2.496 -1.302 8.673 1.00 0.00 H new ATOM 0 HE3 MET A 10 -1.229 -0.624 7.623 1.00 0.00 H new ATOM 108 N SER A 11 -5.830 2.614 7.206 1.00 0.00 N ATOM 109 CA SER A 11 -5.942 4.053 7.374 1.00 0.00 C ATOM 110 C SER A 11 -4.948 4.535 8.432 1.00 0.00 C ATOM 111 O SER A 11 -5.074 4.196 9.608 1.00 0.00 O ATOM 112 CB SER A 11 -7.367 4.453 7.764 1.00 0.00 C ATOM 113 OG SER A 11 -7.757 3.888 9.012 1.00 0.00 O ATOM 0 H SER A 11 -5.433 2.120 8.006 1.00 0.00 H new ATOM 0 HA SER A 11 -5.708 4.528 6.421 1.00 0.00 H new ATOM 0 HB2 SER A 11 -7.436 5.539 7.820 1.00 0.00 H new ATOM 0 HB3 SER A 11 -8.060 4.130 6.987 1.00 0.00 H new ATOM 0 HG SER A 11 -6.984 3.860 9.614 1.00 0.00 H new ATOM 119 N GLY A 12 -3.982 5.319 7.977 1.00 0.00 N ATOM 120 CA GLY A 12 -2.966 5.851 8.870 1.00 0.00 C ATOM 121 C GLY A 12 -2.099 6.890 8.156 1.00 0.00 C ATOM 122 O GLY A 12 -2.054 6.928 6.928 1.00 0.00 O ATOM 0 H GLY A 12 -3.881 5.599 7.001 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -3.442 6.305 9.739 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -2.339 5.039 9.238 1.00 0.00 H new ATOM 126 N TYR A 13 -1.432 7.708 8.958 1.00 0.00 N ATOM 127 CA TYR A 13 -0.569 8.745 8.418 1.00 0.00 C ATOM 128 C TYR A 13 0.755 8.156 7.927 1.00 0.00 C ATOM 129 O TYR A 13 1.369 7.342 8.614 1.00 0.00 O ATOM 130 CB TYR A 13 -0.288 9.704 9.577 1.00 0.00 C ATOM 131 CG TYR A 13 -1.350 10.791 9.757 1.00 0.00 C ATOM 132 CD1 TYR A 13 -1.373 11.880 8.909 1.00 0.00 C ATOM 133 CD2 TYR A 13 -2.285 10.682 10.766 1.00 0.00 C ATOM 134 CE1 TYR A 13 -2.373 12.903 9.079 1.00 0.00 C ATOM 135 CE2 TYR A 13 -3.284 11.704 10.935 1.00 0.00 C ATOM 136 CZ TYR A 13 -3.279 12.764 10.083 1.00 0.00 C ATOM 137 OH TYR A 13 -4.223 13.730 10.243 1.00 0.00 O ATOM 0 H TYR A 13 -1.472 7.673 9.977 1.00 0.00 H new ATOM 0 HA TYR A 13 -1.046 9.239 7.572 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -0.211 9.129 10.500 1.00 0.00 H new ATOM 0 HB3 TYR A 13 0.680 10.179 9.416 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -0.642 11.965 8.119 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -2.267 9.830 11.429 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -2.402 13.761 8.424 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -4.021 11.631 11.721 1.00 0.00 H new ATOM 0 HH TYR A 13 -4.803 13.498 10.998 1.00 0.00 H new ATOM 147 N LEU A 14 1.155 8.590 6.741 1.00 0.00 N ATOM 148 CA LEU A 14 2.395 8.116 6.150 1.00 0.00 C ATOM 149 C LEU A 14 3.146 9.299 5.535 1.00 0.00 C ATOM 150 O LEU A 14 2.557 10.347 5.276 1.00 0.00 O ATOM 151 CB LEU A 14 2.117 6.982 5.161 1.00 0.00 C ATOM 152 CG LEU A 14 1.115 5.922 5.620 1.00 0.00 C ATOM 153 CD1 LEU A 14 0.570 5.130 4.430 1.00 0.00 C ATOM 154 CD2 LEU A 14 1.731 5.009 6.682 1.00 0.00 C ATOM 0 H LEU A 14 0.642 9.265 6.173 1.00 0.00 H new ATOM 0 HA LEU A 14 3.044 7.689 6.915 1.00 0.00 H new ATOM 0 HB2 LEU A 14 1.753 7.419 4.231 1.00 0.00 H new ATOM 0 HB3 LEU A 14 3.061 6.487 4.932 1.00 0.00 H new ATOM 0 HG LEU A 14 0.269 6.430 6.083 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -0.140 4.383 4.785 1.00 0.00 H new ATOM 0 HD12 LEU A 14 0.069 5.809 3.740 1.00 0.00 H new ATOM 0 HD13 LEU A 14 1.393 4.633 3.916 1.00 0.00 H new ATOM 0 HD21 LEU A 14 0.998 4.264 6.991 1.00 0.00 H new ATOM 0 HD22 LEU A 14 2.605 4.507 6.268 1.00 0.00 H new ATOM 0 HD23 LEU A 14 2.030 5.604 7.545 1.00 0.00 H new ATOM 166 N TYR A 15 4.437 9.090 5.318 1.00 0.00 N ATOM 167 CA TYR A 15 5.275 10.126 4.738 1.00 0.00 C ATOM 168 C TYR A 15 5.672 9.771 3.304 1.00 0.00 C ATOM 169 O TYR A 15 6.257 8.717 3.061 1.00 0.00 O ATOM 170 CB TYR A 15 6.535 10.183 5.604 1.00 0.00 C ATOM 171 CG TYR A 15 6.262 10.475 7.081 1.00 0.00 C ATOM 172 CD1 TYR A 15 5.382 11.477 7.436 1.00 0.00 C ATOM 173 CD2 TYR A 15 6.896 9.736 8.059 1.00 0.00 C ATOM 174 CE1 TYR A 15 5.125 11.752 8.826 1.00 0.00 C ATOM 175 CE2 TYR A 15 6.639 10.010 9.449 1.00 0.00 C ATOM 176 CZ TYR A 15 5.767 11.005 9.764 1.00 0.00 C ATOM 177 OH TYR A 15 5.524 11.264 11.077 1.00 0.00 O ATOM 0 H TYR A 15 4.922 8.219 5.533 1.00 0.00 H new ATOM 0 HA TYR A 15 4.744 11.078 4.709 1.00 0.00 H new ATOM 0 HB2 TYR A 15 7.062 9.232 5.524 1.00 0.00 H new ATOM 0 HB3 TYR A 15 7.200 10.951 5.209 1.00 0.00 H new ATOM 0 HD1 TYR A 15 4.886 12.055 6.671 1.00 0.00 H new ATOM 0 HD2 TYR A 15 7.585 8.952 7.782 1.00 0.00 H new ATOM 0 HE1 TYR A 15 4.438 12.533 9.117 1.00 0.00 H new ATOM 0 HE2 TYR A 15 7.128 9.438 10.224 1.00 0.00 H new ATOM 0 HH TYR A 15 6.050 10.653 11.634 1.00 0.00 H new ATOM 187 N ARG A 16 5.338 10.671 2.391 1.00 0.00 N ATOM 188 CA ARG A 16 5.652 10.466 0.988 1.00 0.00 C ATOM 189 C ARG A 16 6.951 11.187 0.624 1.00 0.00 C ATOM 190 O ARG A 16 7.189 12.309 1.069 1.00 0.00 O ATOM 191 CB ARG A 16 4.524 10.979 0.090 1.00 0.00 C ATOM 192 CG ARG A 16 4.895 10.843 -1.388 1.00 0.00 C ATOM 193 CD ARG A 16 3.643 10.717 -2.258 1.00 0.00 C ATOM 194 NE ARG A 16 3.609 11.807 -3.259 1.00 0.00 N ATOM 195 CZ ARG A 16 3.304 13.080 -2.972 1.00 0.00 C ATOM 196 NH1 ARG A 16 3.005 13.430 -1.714 1.00 0.00 N ATOM 197 NH2 ARG A 16 3.298 14.002 -3.944 1.00 0.00 N ATOM 0 H ARG A 16 4.853 11.544 2.596 1.00 0.00 H new ATOM 0 HA ARG A 16 5.770 9.394 0.828 1.00 0.00 H new ATOM 0 HB2 ARG A 16 3.610 10.420 0.292 1.00 0.00 H new ATOM 0 HB3 ARG A 16 4.316 12.024 0.322 1.00 0.00 H new ATOM 0 HG2 ARG A 16 5.475 11.711 -1.702 1.00 0.00 H new ATOM 0 HG3 ARG A 16 5.529 9.968 -1.528 1.00 0.00 H new ATOM 0 HD2 ARG A 16 3.636 9.750 -2.761 1.00 0.00 H new ATOM 0 HD3 ARG A 16 2.751 10.758 -1.633 1.00 0.00 H new ATOM 0 HE ARG A 16 3.831 11.575 -4.227 1.00 0.00 H new ATOM 0 HH11 ARG A 16 3.009 12.728 -0.974 1.00 0.00 H new ATOM 0 HH12 ARG A 16 2.773 14.399 -1.496 1.00 0.00 H new ATOM 0 HH21 ARG A 16 3.525 13.735 -4.902 1.00 0.00 H new ATOM 0 HH22 ARG A 16 3.066 14.971 -3.726 1.00 0.00 H new ATOM 211 N SER A 17 7.759 10.513 -0.182 1.00 0.00 N ATOM 212 CA SER A 17 9.028 11.075 -0.610 1.00 0.00 C ATOM 213 C SER A 17 9.294 10.713 -2.073 1.00 0.00 C ATOM 214 O SER A 17 8.685 9.787 -2.607 1.00 0.00 O ATOM 215 CB SER A 17 10.175 10.584 0.275 1.00 0.00 C ATOM 216 OG SER A 17 11.053 9.707 -0.425 1.00 0.00 O ATOM 0 H SER A 17 7.559 9.583 -0.550 1.00 0.00 H new ATOM 0 HA SER A 17 8.971 12.159 -0.515 1.00 0.00 H new ATOM 0 HB2 SER A 17 10.738 11.440 0.646 1.00 0.00 H new ATOM 0 HB3 SER A 17 9.767 10.070 1.145 1.00 0.00 H new ATOM 0 HG SER A 17 11.926 10.139 -0.537 1.00 0.00 H new ATOM 222 N LYS A 18 10.205 11.460 -2.678 1.00 0.00 N ATOM 223 CA LYS A 18 10.560 11.229 -4.068 1.00 0.00 C ATOM 224 C LYS A 18 11.985 10.678 -4.142 1.00 0.00 C ATOM 225 O LYS A 18 12.752 11.048 -5.030 1.00 0.00 O ATOM 226 CB LYS A 18 10.348 12.499 -4.894 1.00 0.00 C ATOM 227 CG LYS A 18 8.959 12.511 -5.536 1.00 0.00 C ATOM 228 CD LYS A 18 9.055 12.349 -7.054 1.00 0.00 C ATOM 229 CE LYS A 18 8.681 13.649 -7.769 1.00 0.00 C ATOM 230 NZ LYS A 18 7.932 13.360 -9.012 1.00 0.00 N ATOM 0 H LYS A 18 10.708 12.226 -2.231 1.00 0.00 H new ATOM 0 HA LYS A 18 9.904 10.478 -4.508 1.00 0.00 H new ATOM 0 HB2 LYS A 18 10.465 13.375 -4.257 1.00 0.00 H new ATOM 0 HB3 LYS A 18 11.111 12.564 -5.669 1.00 0.00 H new ATOM 0 HG2 LYS A 18 8.355 11.706 -5.118 1.00 0.00 H new ATOM 0 HG3 LYS A 18 8.453 13.446 -5.298 1.00 0.00 H new ATOM 0 HD2 LYS A 18 10.069 12.057 -7.329 1.00 0.00 H new ATOM 0 HD3 LYS A 18 8.393 11.547 -7.380 1.00 0.00 H new ATOM 0 HE2 LYS A 18 8.077 14.272 -7.110 1.00 0.00 H new ATOM 0 HE3 LYS A 18 9.583 14.214 -8.004 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 7.686 14.253 -9.485 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 8.521 12.783 -9.646 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 7.062 12.840 -8.780 1.00 0.00 H new ATOM 244 N GLY A 19 12.297 9.803 -3.197 1.00 0.00 N ATOM 245 CA GLY A 19 13.617 9.198 -3.144 1.00 0.00 C ATOM 246 C GLY A 19 14.142 9.153 -1.708 1.00 0.00 C ATOM 247 O GLY A 19 13.457 9.580 -0.779 1.00 0.00 O ATOM 0 H GLY A 19 11.658 9.499 -2.462 1.00 0.00 H new ATOM 0 HA2 GLY A 19 13.575 8.188 -3.551 1.00 0.00 H new ATOM 0 HA3 GLY A 19 14.306 9.765 -3.769 1.00 0.00 H new ATOM 251 N SER A 20 15.352 8.632 -1.570 1.00 0.00 N ATOM 252 CA SER A 20 15.977 8.525 -0.262 1.00 0.00 C ATOM 253 C SER A 20 16.256 9.920 0.300 1.00 0.00 C ATOM 254 O SER A 20 15.529 10.401 1.167 1.00 0.00 O ATOM 255 CB SER A 20 17.272 7.713 -0.335 1.00 0.00 C ATOM 256 OG SER A 20 17.040 6.321 -0.139 1.00 0.00 O ATOM 0 H SER A 20 15.917 8.279 -2.343 1.00 0.00 H new ATOM 0 HA SER A 20 15.290 8.003 0.404 1.00 0.00 H new ATOM 0 HB2 SER A 20 17.744 7.869 -1.305 1.00 0.00 H new ATOM 0 HB3 SER A 20 17.970 8.074 0.420 1.00 0.00 H new ATOM 0 HG SER A 20 16.575 6.184 0.712 1.00 0.00 H new ATOM 262 N LYS A 21 17.312 10.532 -0.218 1.00 0.00 N ATOM 263 CA LYS A 21 17.696 11.862 0.221 1.00 0.00 C ATOM 264 C LYS A 21 16.664 12.877 -0.275 1.00 0.00 C ATOM 265 O LYS A 21 17.007 13.817 -0.990 1.00 0.00 O ATOM 266 CB LYS A 21 19.128 12.178 -0.215 1.00 0.00 C ATOM 267 CG LYS A 21 20.126 11.227 0.449 1.00 0.00 C ATOM 268 CD LYS A 21 21.331 11.992 0.998 1.00 0.00 C ATOM 269 CE LYS A 21 22.094 12.694 -0.128 1.00 0.00 C ATOM 270 NZ LYS A 21 23.001 11.743 -0.810 1.00 0.00 N ATOM 0 H LYS A 21 17.913 10.130 -0.938 1.00 0.00 H new ATOM 0 HA LYS A 21 17.699 11.917 1.310 1.00 0.00 H new ATOM 0 HB2 LYS A 21 19.208 12.096 -1.299 1.00 0.00 H new ATOM 0 HB3 LYS A 21 19.373 13.208 0.046 1.00 0.00 H new ATOM 0 HG2 LYS A 21 19.635 10.686 1.258 1.00 0.00 H new ATOM 0 HG3 LYS A 21 20.462 10.484 -0.274 1.00 0.00 H new ATOM 0 HD2 LYS A 21 20.997 12.728 1.729 1.00 0.00 H new ATOM 0 HD3 LYS A 21 21.997 11.304 1.519 1.00 0.00 H new ATOM 0 HE2 LYS A 21 21.390 13.113 -0.847 1.00 0.00 H new ATOM 0 HE3 LYS A 21 22.669 13.527 0.278 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 23.511 12.235 -1.571 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 23.685 11.363 -0.125 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 22.445 10.962 -1.214 1.00 0.00 H new ATOM 284 N LYS A 22 15.421 12.651 0.123 1.00 0.00 N ATOM 285 CA LYS A 22 14.337 13.534 -0.273 1.00 0.00 C ATOM 286 C LYS A 22 13.534 13.937 0.966 1.00 0.00 C ATOM 287 O LYS A 22 13.538 13.227 1.971 1.00 0.00 O ATOM 288 CB LYS A 22 13.490 12.884 -1.369 1.00 0.00 C ATOM 289 CG LYS A 22 14.172 13.006 -2.733 1.00 0.00 C ATOM 290 CD LYS A 22 13.574 14.157 -3.544 1.00 0.00 C ATOM 291 CE LYS A 22 14.173 14.205 -4.951 1.00 0.00 C ATOM 292 NZ LYS A 22 14.789 15.526 -5.208 1.00 0.00 N ATOM 0 H LYS A 22 15.140 11.870 0.715 1.00 0.00 H new ATOM 0 HA LYS A 22 14.733 14.451 -0.709 1.00 0.00 H new ATOM 0 HB2 LYS A 22 13.327 11.832 -1.132 1.00 0.00 H new ATOM 0 HB3 LYS A 22 12.509 13.358 -1.405 1.00 0.00 H new ATOM 0 HG2 LYS A 22 15.241 13.170 -2.596 1.00 0.00 H new ATOM 0 HG3 LYS A 22 14.061 12.072 -3.284 1.00 0.00 H new ATOM 0 HD2 LYS A 22 12.493 14.037 -3.609 1.00 0.00 H new ATOM 0 HD3 LYS A 22 13.760 15.102 -3.033 1.00 0.00 H new ATOM 0 HE2 LYS A 22 14.922 13.421 -5.061 1.00 0.00 H new ATOM 0 HE3 LYS A 22 13.396 14.010 -5.690 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 15.191 15.541 -6.167 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 14.066 16.269 -5.124 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 15.544 15.698 -4.514 1.00 0.00 H new ATOM 306 N PRO A 23 12.848 15.106 0.852 1.00 0.00 N ATOM 307 CA PRO A 23 12.043 15.612 1.950 1.00 0.00 C ATOM 308 C PRO A 23 10.741 14.820 2.086 1.00 0.00 C ATOM 309 O PRO A 23 10.088 14.517 1.089 1.00 0.00 O ATOM 310 CB PRO A 23 11.815 17.079 1.628 1.00 0.00 C ATOM 311 CG PRO A 23 12.102 17.229 0.142 1.00 0.00 C ATOM 312 CD PRO A 23 12.820 15.973 -0.322 1.00 0.00 C ATOM 0 HA PRO A 23 12.534 15.502 2.917 1.00 0.00 H new ATOM 0 HB2 PRO A 23 10.792 17.375 1.860 1.00 0.00 H new ATOM 0 HB3 PRO A 23 12.473 17.716 2.219 1.00 0.00 H new ATOM 0 HG2 PRO A 23 11.175 17.366 -0.414 1.00 0.00 H new ATOM 0 HG3 PRO A 23 12.717 18.110 -0.041 1.00 0.00 H new ATOM 0 HD2 PRO A 23 12.294 15.500 -1.151 1.00 0.00 H new ATOM 0 HD3 PRO A 23 13.827 16.199 -0.671 1.00 0.00 H new ATOM 320 N TRP A 24 10.402 14.507 3.328 1.00 0.00 N ATOM 321 CA TRP A 24 9.190 13.757 3.607 1.00 0.00 C ATOM 322 C TRP A 24 8.014 14.735 3.591 1.00 0.00 C ATOM 323 O TRP A 24 8.189 15.926 3.844 1.00 0.00 O ATOM 324 CB TRP A 24 9.311 12.989 4.925 1.00 0.00 C ATOM 325 CG TRP A 24 10.320 11.840 4.886 1.00 0.00 C ATOM 326 CD1 TRP A 24 11.542 11.796 5.434 1.00 0.00 C ATOM 327 CD2 TRP A 24 10.143 10.562 4.239 1.00 0.00 C ATOM 328 NE1 TRP A 24 12.164 10.589 5.188 1.00 0.00 N ATOM 329 CE2 TRP A 24 11.286 9.815 4.439 1.00 0.00 C ATOM 330 CE3 TRP A 24 9.054 10.055 3.509 1.00 0.00 C ATOM 331 CZ2 TRP A 24 11.449 8.516 3.941 1.00 0.00 C ATOM 332 CZ3 TRP A 24 9.233 8.756 3.018 1.00 0.00 C ATOM 333 CH2 TRP A 24 10.377 7.990 3.210 1.00 0.00 C ATOM 0 H TRP A 24 10.946 14.760 4.153 1.00 0.00 H new ATOM 0 HA TRP A 24 9.022 12.998 2.843 1.00 0.00 H new ATOM 0 HB2 TRP A 24 9.598 13.684 5.714 1.00 0.00 H new ATOM 0 HB3 TRP A 24 8.332 12.590 5.192 1.00 0.00 H new ATOM 0 HD1 TRP A 24 11.985 12.604 5.998 1.00 0.00 H new ATOM 0 HE1 TRP A 24 13.096 10.315 5.499 1.00 0.00 H new ATOM 0 HE3 TRP A 24 8.151 10.622 3.340 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 12.353 7.950 4.112 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 8.425 8.318 2.450 1.00 0.00 H new ATOM 0 HH2 TRP A 24 10.439 6.994 2.797 1.00 0.00 H new ATOM 344 N LYS A 25 6.841 14.196 3.291 1.00 0.00 N ATOM 345 CA LYS A 25 5.637 15.007 3.239 1.00 0.00 C ATOM 346 C LYS A 25 4.528 14.317 4.036 1.00 0.00 C ATOM 347 O LYS A 25 3.999 13.292 3.610 1.00 0.00 O ATOM 348 CB LYS A 25 5.255 15.307 1.788 1.00 0.00 C ATOM 349 CG LYS A 25 6.137 16.416 1.207 1.00 0.00 C ATOM 350 CD LYS A 25 5.556 16.947 -0.105 1.00 0.00 C ATOM 351 CE LYS A 25 4.814 18.266 0.119 1.00 0.00 C ATOM 352 NZ LYS A 25 5.756 19.406 0.068 1.00 0.00 N ATOM 0 H LYS A 25 6.699 13.208 3.082 1.00 0.00 H new ATOM 0 HA LYS A 25 5.811 15.977 3.706 1.00 0.00 H new ATOM 0 HB2 LYS A 25 5.357 14.403 1.187 1.00 0.00 H new ATOM 0 HB3 LYS A 25 4.208 15.606 1.738 1.00 0.00 H new ATOM 0 HG2 LYS A 25 6.225 17.230 1.926 1.00 0.00 H new ATOM 0 HG3 LYS A 25 7.143 16.033 1.035 1.00 0.00 H new ATOM 0 HD2 LYS A 25 6.358 17.095 -0.829 1.00 0.00 H new ATOM 0 HD3 LYS A 25 4.875 16.210 -0.530 1.00 0.00 H new ATOM 0 HE2 LYS A 25 4.043 18.390 -0.641 1.00 0.00 H new ATOM 0 HE3 LYS A 25 4.309 18.247 1.085 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 5.236 20.293 0.222 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 6.477 19.294 0.809 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 6.218 19.433 -0.863 1.00 0.00 H new ATOM 366 N HIS A 26 4.208 14.908 5.178 1.00 0.00 N ATOM 367 CA HIS A 26 3.172 14.363 6.038 1.00 0.00 C ATOM 368 C HIS A 26 1.829 14.391 5.305 1.00 0.00 C ATOM 369 O HIS A 26 1.269 15.460 5.067 1.00 0.00 O ATOM 370 CB HIS A 26 3.132 15.104 7.376 1.00 0.00 C ATOM 371 CG HIS A 26 4.364 14.903 8.226 1.00 0.00 C ATOM 372 ND1 HIS A 26 5.539 14.266 7.955 1.00 0.00 N flip ATOM 373 CD2 HIS A 26 4.470 15.387 9.518 1.00 0.00 C flip ATOM 374 CE1 HIS A 26 6.322 14.357 9.024 1.00 0.00 C flip ATOM 375 NE2 HIS A 26 5.660 15.051 9.994 1.00 0.00 N flip ATOM 0 H HIS A 26 4.648 15.759 5.527 1.00 0.00 H new ATOM 0 HA HIS A 26 3.398 13.322 6.271 1.00 0.00 H new ATOM 0 HB2 HIS A 26 3.004 16.170 7.186 1.00 0.00 H new ATOM 0 HB3 HIS A 26 2.258 14.773 7.937 1.00 0.00 H new ATOM 0 HD1 HIS A 26 5.776 13.799 7.080 1.00 0.00 H new ATOM 0 HD2 HIS A 26 3.712 15.944 10.048 1.00 0.00 H new ATOM 0 HE1 HIS A 26 7.318 13.949 9.111 1.00 0.00 H new ATOM 383 N LEU A 27 1.351 13.203 4.966 1.00 0.00 N ATOM 384 CA LEU A 27 0.085 13.077 4.265 1.00 0.00 C ATOM 385 C LEU A 27 -0.746 11.970 4.917 1.00 0.00 C ATOM 386 O LEU A 27 -0.220 11.160 5.678 1.00 0.00 O ATOM 387 CB LEU A 27 0.320 12.869 2.768 1.00 0.00 C ATOM 388 CG LEU A 27 0.704 14.117 1.969 1.00 0.00 C ATOM 389 CD1 LEU A 27 1.843 13.815 0.994 1.00 0.00 C ATOM 390 CD2 LEU A 27 -0.515 14.711 1.261 1.00 0.00 C ATOM 0 H LEU A 27 1.818 12.318 5.164 1.00 0.00 H new ATOM 0 HA LEU A 27 -0.490 13.999 4.349 1.00 0.00 H new ATOM 0 HB2 LEU A 27 1.108 12.126 2.644 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -0.587 12.448 2.333 1.00 0.00 H new ATOM 0 HG LEU A 27 1.070 14.870 2.667 1.00 0.00 H new ATOM 0 HD11 LEU A 27 2.096 14.718 0.439 1.00 0.00 H new ATOM 0 HD12 LEU A 27 2.717 13.474 1.549 1.00 0.00 H new ATOM 0 HD13 LEU A 27 1.529 13.037 0.298 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -0.215 15.596 0.701 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -0.934 13.973 0.577 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -1.267 14.987 2.001 1.00 0.00 H new ATOM 402 N TRP A 28 -2.031 11.971 4.593 1.00 0.00 N ATOM 403 CA TRP A 28 -2.941 10.977 5.138 1.00 0.00 C ATOM 404 C TRP A 28 -3.536 10.190 3.969 1.00 0.00 C ATOM 405 O TRP A 28 -4.064 10.777 3.026 1.00 0.00 O ATOM 406 CB TRP A 28 -4.005 11.632 6.021 1.00 0.00 C ATOM 407 CG TRP A 28 -5.151 10.698 6.411 1.00 0.00 C ATOM 408 CD1 TRP A 28 -6.348 10.569 5.820 1.00 0.00 C ATOM 409 CD2 TRP A 28 -5.162 9.761 7.508 1.00 0.00 C ATOM 410 NE1 TRP A 28 -7.125 9.622 6.454 1.00 0.00 N ATOM 411 CE2 TRP A 28 -6.381 9.114 7.513 1.00 0.00 C ATOM 412 CE3 TRP A 28 -4.174 9.469 8.464 1.00 0.00 C ATOM 413 CZ2 TRP A 28 -6.726 8.135 8.453 1.00 0.00 C ATOM 414 CZ3 TRP A 28 -4.533 8.488 9.397 1.00 0.00 C ATOM 415 CH2 TRP A 28 -5.757 7.828 9.416 1.00 0.00 C ATOM 0 H TRP A 28 -2.464 12.644 3.960 1.00 0.00 H new ATOM 0 HA TRP A 28 -2.409 10.284 5.790 1.00 0.00 H new ATOM 0 HB2 TRP A 28 -3.530 12.006 6.928 1.00 0.00 H new ATOM 0 HB3 TRP A 28 -4.416 12.495 5.497 1.00 0.00 H new ATOM 0 HD1 TRP A 28 -6.664 11.135 4.956 1.00 0.00 H new ATOM 0 HE1 TRP A 28 -8.072 9.345 6.194 1.00 0.00 H new ATOM 0 HE3 TRP A 28 -3.213 9.962 8.478 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 -7.687 7.643 8.436 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 -3.809 8.226 10.154 1.00 0.00 H new ATOM 0 HH2 TRP A 28 -5.959 7.082 10.170 1.00 0.00 H new ATOM 426 N PHE A 29 -3.430 8.873 4.068 1.00 0.00 N ATOM 427 CA PHE A 29 -3.951 8.000 3.031 1.00 0.00 C ATOM 428 C PHE A 29 -4.964 7.008 3.606 1.00 0.00 C ATOM 429 O PHE A 29 -4.979 6.760 4.811 1.00 0.00 O ATOM 430 CB PHE A 29 -2.763 7.224 2.460 1.00 0.00 C ATOM 431 CG PHE A 29 -1.662 8.113 1.877 1.00 0.00 C ATOM 432 CD1 PHE A 29 -1.740 8.533 0.586 1.00 0.00 C ATOM 433 CD2 PHE A 29 -0.605 8.482 2.650 1.00 0.00 C ATOM 434 CE1 PHE A 29 -0.718 9.358 0.045 1.00 0.00 C ATOM 435 CE2 PHE A 29 0.416 9.306 2.109 1.00 0.00 C ATOM 436 CZ PHE A 29 0.338 9.727 0.818 1.00 0.00 C ATOM 0 H PHE A 29 -2.991 8.389 4.851 1.00 0.00 H new ATOM 0 HA PHE A 29 -4.456 8.591 2.267 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -2.336 6.603 3.247 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -3.122 6.550 1.682 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -2.579 8.239 -0.028 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -0.543 8.148 3.675 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -0.780 9.692 -0.980 1.00 0.00 H new ATOM 0 HE2 PHE A 29 1.255 9.599 2.723 1.00 0.00 H new ATOM 0 HZ PHE A 29 1.115 10.354 0.407 1.00 0.00 H new ATOM 446 N VAL A 30 -5.785 6.467 2.718 1.00 0.00 N ATOM 447 CA VAL A 30 -6.798 5.507 3.123 1.00 0.00 C ATOM 448 C VAL A 30 -7.082 4.552 1.963 1.00 0.00 C ATOM 449 O VAL A 30 -7.253 4.986 0.824 1.00 0.00 O ATOM 450 CB VAL A 30 -8.048 6.241 3.613 1.00 0.00 C ATOM 451 CG1 VAL A 30 -9.284 5.346 3.511 1.00 0.00 C ATOM 452 CG2 VAL A 30 -7.858 6.752 5.043 1.00 0.00 C ATOM 0 H VAL A 30 -5.769 6.675 1.720 1.00 0.00 H new ATOM 0 HA VAL A 30 -6.442 4.905 3.959 1.00 0.00 H new ATOM 0 HB VAL A 30 -8.205 7.104 2.966 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -10.159 5.892 3.865 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -9.436 5.052 2.472 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -9.140 4.455 4.122 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -8.761 7.270 5.367 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -7.664 5.910 5.708 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -7.014 7.441 5.074 1.00 0.00 H new ATOM 462 N ILE A 31 -7.124 3.269 2.290 1.00 0.00 N ATOM 463 CA ILE A 31 -7.384 2.248 1.289 1.00 0.00 C ATOM 464 C ILE A 31 -8.874 1.901 1.298 1.00 0.00 C ATOM 465 O ILE A 31 -9.313 1.054 2.074 1.00 0.00 O ATOM 466 CB ILE A 31 -6.470 1.041 1.505 1.00 0.00 C ATOM 467 CG1 ILE A 31 -5.000 1.427 1.326 1.00 0.00 C ATOM 468 CG2 ILE A 31 -6.872 -0.121 0.594 1.00 0.00 C ATOM 469 CD1 ILE A 31 -4.088 0.212 1.506 1.00 0.00 C ATOM 0 H ILE A 31 -6.982 2.913 3.235 1.00 0.00 H new ATOM 0 HA ILE A 31 -7.149 2.622 0.292 1.00 0.00 H new ATOM 0 HB ILE A 31 -6.591 0.701 2.534 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -4.851 1.854 0.334 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -4.732 2.198 2.049 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -6.206 -0.966 0.767 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -7.898 -0.416 0.812 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -6.798 0.191 -0.448 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -3.049 0.514 1.374 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -4.222 -0.198 2.507 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -4.342 -0.547 0.766 1.00 0.00 H new ATOM 481 N LYS A 32 -9.610 2.572 0.424 1.00 0.00 N ATOM 482 CA LYS A 32 -11.042 2.344 0.321 1.00 0.00 C ATOM 483 C LYS A 32 -11.301 1.182 -0.639 1.00 0.00 C ATOM 484 O LYS A 32 -11.212 0.018 -0.249 1.00 0.00 O ATOM 485 CB LYS A 32 -11.763 3.636 -0.069 1.00 0.00 C ATOM 486 CG LYS A 32 -13.182 3.345 -0.561 1.00 0.00 C ATOM 487 CD LYS A 32 -14.205 4.222 0.164 1.00 0.00 C ATOM 488 CE LYS A 32 -14.630 3.587 1.489 1.00 0.00 C ATOM 489 NZ LYS A 32 -15.023 4.631 2.462 1.00 0.00 N ATOM 0 H LYS A 32 -9.242 3.273 -0.219 1.00 0.00 H new ATOM 0 HA LYS A 32 -11.453 2.056 1.289 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -11.802 4.308 0.788 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -11.201 4.149 -0.850 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -13.242 3.522 -1.635 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -13.419 2.294 -0.398 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -13.778 5.208 0.349 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -15.079 4.368 -0.471 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -15.464 2.905 1.321 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -13.810 2.994 1.894 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -15.309 4.183 3.356 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -14.217 5.265 2.635 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -15.820 5.180 2.080 1.00 0.00 H new ATOM 503 N ASN A 33 -11.617 1.537 -1.876 1.00 0.00 N ATOM 504 CA ASN A 33 -11.890 0.537 -2.895 1.00 0.00 C ATOM 505 C ASN A 33 -10.602 0.232 -3.662 1.00 0.00 C ATOM 506 O ASN A 33 -10.513 0.492 -4.861 1.00 0.00 O ATOM 507 CB ASN A 33 -12.929 1.042 -3.898 1.00 0.00 C ATOM 508 CG ASN A 33 -13.496 -0.111 -4.728 1.00 0.00 C ATOM 509 OD1 ASN A 33 -14.719 -0.488 -4.366 1.00 0.00 O flip ATOM 510 ND2 ASN A 33 -12.864 -0.625 -5.637 1.00 0.00 N flip ATOM 0 H ASN A 33 -11.690 2.503 -2.196 1.00 0.00 H new ATOM 0 HA ASN A 33 -12.272 -0.355 -2.398 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -13.738 1.545 -3.367 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -12.474 1.780 -4.558 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -11.929 -0.287 -5.863 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -13.271 -1.393 -6.171 1.00 0.00 H new ATOM 517 N LYS A 34 -9.635 -0.314 -2.939 1.00 0.00 N ATOM 518 CA LYS A 34 -8.356 -0.657 -3.537 1.00 0.00 C ATOM 519 C LYS A 34 -7.750 0.590 -4.185 1.00 0.00 C ATOM 520 O LYS A 34 -6.903 0.484 -5.071 1.00 0.00 O ATOM 521 CB LYS A 34 -8.513 -1.835 -4.500 1.00 0.00 C ATOM 522 CG LYS A 34 -7.784 -3.074 -3.975 1.00 0.00 C ATOM 523 CD LYS A 34 -8.720 -4.283 -3.930 1.00 0.00 C ATOM 524 CE LYS A 34 -7.925 -5.591 -3.906 1.00 0.00 C ATOM 525 NZ LYS A 34 -7.723 -6.048 -2.513 1.00 0.00 N ATOM 0 H LYS A 34 -9.712 -0.527 -1.945 1.00 0.00 H new ATOM 0 HA LYS A 34 -7.656 -0.992 -2.772 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -9.571 -2.061 -4.634 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -8.118 -1.564 -5.479 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -6.929 -3.295 -4.614 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -7.393 -2.875 -2.977 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -9.355 -4.223 -3.046 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -9.379 -4.270 -4.798 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -8.455 -6.356 -4.473 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -6.960 -5.446 -4.391 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -7.182 -6.936 -2.514 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -7.198 -5.324 -1.983 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -8.647 -6.206 -2.062 1.00 0.00 H new ATOM 539 N VAL A 35 -8.208 1.742 -3.718 1.00 0.00 N ATOM 540 CA VAL A 35 -7.722 3.008 -4.241 1.00 0.00 C ATOM 541 C VAL A 35 -6.975 3.758 -3.136 1.00 0.00 C ATOM 542 O VAL A 35 -7.484 3.902 -2.025 1.00 0.00 O ATOM 543 CB VAL A 35 -8.883 3.811 -4.830 1.00 0.00 C ATOM 544 CG1 VAL A 35 -8.416 5.195 -5.287 1.00 0.00 C ATOM 545 CG2 VAL A 35 -9.550 3.050 -5.978 1.00 0.00 C ATOM 0 H VAL A 35 -8.910 1.826 -2.983 1.00 0.00 H new ATOM 0 HA VAL A 35 -7.016 2.840 -5.054 1.00 0.00 H new ATOM 0 HB VAL A 35 -9.626 3.951 -4.045 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -9.261 5.745 -5.702 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -8.010 5.741 -4.436 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -7.645 5.085 -6.049 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -10.372 3.643 -6.379 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -8.819 2.865 -6.765 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -9.935 2.099 -5.609 1.00 0.00 H new ATOM 555 N LEU A 36 -5.780 4.216 -3.479 1.00 0.00 N ATOM 556 CA LEU A 36 -4.959 4.948 -2.530 1.00 0.00 C ATOM 557 C LEU A 36 -5.347 6.428 -2.560 1.00 0.00 C ATOM 558 O LEU A 36 -4.833 7.191 -3.376 1.00 0.00 O ATOM 559 CB LEU A 36 -3.474 4.696 -2.801 1.00 0.00 C ATOM 560 CG LEU A 36 -2.498 5.273 -1.773 1.00 0.00 C ATOM 561 CD1 LEU A 36 -2.248 6.761 -2.029 1.00 0.00 C ATOM 562 CD2 LEU A 36 -2.985 5.011 -0.347 1.00 0.00 C ATOM 0 H LEU A 36 -5.361 4.094 -4.401 1.00 0.00 H new ATOM 0 HA LEU A 36 -5.140 4.592 -1.516 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -3.313 3.620 -2.861 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -3.228 5.110 -3.779 1.00 0.00 H new ATOM 0 HG LEU A 36 -1.542 4.762 -1.886 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -1.551 7.146 -1.285 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -1.825 6.893 -3.025 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -3.190 7.305 -1.960 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -2.273 5.431 0.364 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -3.959 5.478 -0.204 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -3.070 3.937 -0.183 1.00 0.00 H new ATOM 574 N TYR A 37 -6.252 6.788 -1.662 1.00 0.00 N ATOM 575 CA TYR A 37 -6.716 8.162 -1.576 1.00 0.00 C ATOM 576 C TYR A 37 -5.734 9.022 -0.777 1.00 0.00 C ATOM 577 O TYR A 37 -5.055 8.525 0.120 1.00 0.00 O ATOM 578 CB TYR A 37 -8.052 8.111 -0.833 1.00 0.00 C ATOM 579 CG TYR A 37 -9.252 7.804 -1.731 1.00 0.00 C ATOM 580 CD1 TYR A 37 -9.698 8.749 -2.632 1.00 0.00 C ATOM 581 CD2 TYR A 37 -9.888 6.583 -1.640 1.00 0.00 C ATOM 582 CE1 TYR A 37 -10.828 8.461 -3.477 1.00 0.00 C ATOM 583 CE2 TYR A 37 -11.018 6.295 -2.485 1.00 0.00 C ATOM 584 CZ TYR A 37 -11.432 7.248 -3.362 1.00 0.00 C ATOM 585 OH TYR A 37 -12.499 6.976 -4.161 1.00 0.00 O ATOM 0 H TYR A 37 -6.676 6.152 -0.987 1.00 0.00 H new ATOM 0 HA TYR A 37 -6.808 8.599 -2.570 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -7.993 7.353 -0.052 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -8.217 9.068 -0.338 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -9.200 9.705 -2.704 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -9.538 5.843 -0.935 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -11.188 9.192 -4.186 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -11.525 5.343 -2.423 1.00 0.00 H new ATOM 0 HH TYR A 37 -12.828 6.073 -3.971 1.00 0.00 H new ATOM 595 N THR A 38 -5.691 10.298 -1.132 1.00 0.00 N ATOM 596 CA THR A 38 -4.804 11.232 -0.459 1.00 0.00 C ATOM 597 C THR A 38 -5.613 12.235 0.366 1.00 0.00 C ATOM 598 O THR A 38 -6.787 12.472 0.086 1.00 0.00 O ATOM 599 CB THR A 38 -3.920 11.891 -1.520 1.00 0.00 C ATOM 600 OG1 THR A 38 -3.024 10.857 -1.917 1.00 0.00 O ATOM 601 CG2 THR A 38 -3.007 12.970 -0.933 1.00 0.00 C ATOM 0 H THR A 38 -6.256 10.707 -1.877 1.00 0.00 H new ATOM 0 HA THR A 38 -4.156 10.720 0.253 1.00 0.00 H new ATOM 0 HB THR A 38 -4.549 12.329 -2.295 1.00 0.00 H new ATOM 0 HG1 THR A 38 -2.494 10.569 -1.145 1.00 0.00 H new ATOM 0 HG21 THR A 38 -2.401 13.406 -1.728 1.00 0.00 H new ATOM 0 HG22 THR A 38 -3.614 13.749 -0.471 1.00 0.00 H new ATOM 0 HG23 THR A 38 -2.355 12.525 -0.182 1.00 0.00 H new ATOM 609 N TYR A 39 -4.952 12.796 1.368 1.00 0.00 N ATOM 610 CA TYR A 39 -5.595 13.768 2.237 1.00 0.00 C ATOM 611 C TYR A 39 -4.569 14.735 2.831 1.00 0.00 C ATOM 612 O TYR A 39 -3.372 14.609 2.577 1.00 0.00 O ATOM 613 CB TYR A 39 -6.235 12.963 3.369 1.00 0.00 C ATOM 614 CG TYR A 39 -7.481 12.181 2.949 1.00 0.00 C ATOM 615 CD1 TYR A 39 -8.700 12.822 2.855 1.00 0.00 C ATOM 616 CD2 TYR A 39 -7.387 10.834 2.664 1.00 0.00 C ATOM 617 CE1 TYR A 39 -9.872 12.086 2.460 1.00 0.00 C ATOM 618 CE2 TYR A 39 -8.560 10.098 2.269 1.00 0.00 C ATOM 619 CZ TYR A 39 -9.745 10.760 2.186 1.00 0.00 C ATOM 620 OH TYR A 39 -10.852 10.065 1.813 1.00 0.00 O ATOM 0 H TYR A 39 -3.978 12.596 1.598 1.00 0.00 H new ATOM 0 HA TYR A 39 -6.323 14.358 1.681 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -5.498 12.266 3.767 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -6.501 13.642 4.179 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -8.774 13.876 3.078 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -6.434 10.332 2.737 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -10.831 12.576 2.383 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -8.500 9.043 2.044 1.00 0.00 H new ATOM 0 HH TYR A 39 -10.611 9.130 1.648 1.00 0.00 H new ATOM 630 N ALA A 40 -5.075 15.678 3.612 1.00 0.00 N ATOM 631 CA ALA A 40 -4.218 16.666 4.245 1.00 0.00 C ATOM 632 C ALA A 40 -4.305 16.512 5.765 1.00 0.00 C ATOM 633 O ALA A 40 -3.532 17.125 6.500 1.00 0.00 O ATOM 634 CB ALA A 40 -4.620 18.066 3.777 1.00 0.00 C ATOM 0 H ALA A 40 -6.068 15.779 3.821 1.00 0.00 H new ATOM 0 HA ALA A 40 -3.178 16.512 3.957 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -3.977 18.807 4.252 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -4.512 18.133 2.694 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -5.658 18.257 4.051 1.00 0.00 H new ATOM 640 N ALA A 41 -5.253 15.690 6.191 1.00 0.00 N ATOM 641 CA ALA A 41 -5.451 15.448 7.610 1.00 0.00 C ATOM 642 C ALA A 41 -6.708 14.598 7.807 1.00 0.00 C ATOM 643 O ALA A 41 -7.324 14.159 6.836 1.00 0.00 O ATOM 644 CB ALA A 41 -5.529 16.784 8.350 1.00 0.00 C ATOM 0 H ALA A 41 -5.892 15.183 5.579 1.00 0.00 H new ATOM 0 HA ALA A 41 -4.609 14.894 8.026 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -5.678 16.602 9.414 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -4.601 17.336 8.202 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -6.364 17.367 7.961 1.00 0.00 H new ATOM 650 N SER A 42 -7.052 14.392 9.069 1.00 0.00 N ATOM 651 CA SER A 42 -8.225 13.603 9.406 1.00 0.00 C ATOM 652 C SER A 42 -9.446 14.514 9.550 1.00 0.00 C ATOM 653 O SER A 42 -10.486 14.089 10.050 1.00 0.00 O ATOM 654 CB SER A 42 -8.002 12.807 10.694 1.00 0.00 C ATOM 655 OG SER A 42 -8.139 13.621 11.855 1.00 0.00 O ATOM 0 H SER A 42 -6.539 14.758 9.871 1.00 0.00 H new ATOM 0 HA SER A 42 -8.403 12.893 8.598 1.00 0.00 H new ATOM 0 HB2 SER A 42 -8.717 11.986 10.741 1.00 0.00 H new ATOM 0 HB3 SER A 42 -7.007 12.363 10.678 1.00 0.00 H new ATOM 0 HG SER A 42 -7.991 13.076 12.656 1.00 0.00 H new ATOM 661 N GLU A 43 -9.278 15.750 9.103 1.00 0.00 N ATOM 662 CA GLU A 43 -10.353 16.724 9.176 1.00 0.00 C ATOM 663 C GLU A 43 -10.840 17.083 7.770 1.00 0.00 C ATOM 664 O GLU A 43 -11.976 17.520 7.596 1.00 0.00 O ATOM 665 CB GLU A 43 -9.909 17.974 9.938 1.00 0.00 C ATOM 666 CG GLU A 43 -10.758 19.186 9.547 1.00 0.00 C ATOM 667 CD GLU A 43 -12.160 19.091 10.152 1.00 0.00 C ATOM 668 OE1 GLU A 43 -12.910 18.194 9.709 1.00 0.00 O ATOM 669 OE2 GLU A 43 -12.450 19.917 11.044 1.00 0.00 O ATOM 0 H GLU A 43 -8.414 16.099 8.689 1.00 0.00 H new ATOM 0 HA GLU A 43 -11.183 16.280 9.725 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -9.992 17.799 11.011 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -8.859 18.178 9.728 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -10.272 20.100 9.888 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -10.830 19.249 8.461 1.00 0.00 H new ATOM 676 N ASP A 44 -9.955 16.886 6.804 1.00 0.00 N ATOM 677 CA ASP A 44 -10.281 17.183 5.419 1.00 0.00 C ATOM 678 C ASP A 44 -11.694 16.684 5.114 1.00 0.00 C ATOM 679 O ASP A 44 -12.093 15.617 5.578 1.00 0.00 O ATOM 680 CB ASP A 44 -9.314 16.481 4.463 1.00 0.00 C ATOM 681 CG ASP A 44 -8.431 17.416 3.635 1.00 0.00 C ATOM 682 OD1 ASP A 44 -8.607 18.645 3.785 1.00 0.00 O ATOM 683 OD2 ASP A 44 -7.599 16.882 2.870 1.00 0.00 O ATOM 0 H ASP A 44 -9.013 16.525 6.953 1.00 0.00 H new ATOM 0 HA ASP A 44 -10.207 18.261 5.279 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -8.672 15.818 5.042 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -9.890 15.853 3.783 1.00 0.00 H new ATOM 688 N VAL A 45 -12.413 17.479 4.334 1.00 0.00 N ATOM 689 CA VAL A 45 -13.773 17.131 3.961 1.00 0.00 C ATOM 690 C VAL A 45 -13.742 15.987 2.945 1.00 0.00 C ATOM 691 O VAL A 45 -14.683 15.199 2.863 1.00 0.00 O ATOM 692 CB VAL A 45 -14.508 18.370 3.445 1.00 0.00 C ATOM 693 CG1 VAL A 45 -15.033 19.218 4.604 1.00 0.00 C ATOM 694 CG2 VAL A 45 -13.608 19.196 2.524 1.00 0.00 C ATOM 0 H VAL A 45 -12.079 18.363 3.950 1.00 0.00 H new ATOM 0 HA VAL A 45 -14.329 16.779 4.830 1.00 0.00 H new ATOM 0 HB VAL A 45 -15.365 18.033 2.862 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -15.551 20.092 4.210 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -15.724 18.626 5.204 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -14.198 19.541 5.226 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -14.154 20.071 2.171 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -12.723 19.518 3.073 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -13.305 18.589 1.671 1.00 0.00 H new ATOM 704 N ALA A 46 -12.650 15.933 2.197 1.00 0.00 N ATOM 705 CA ALA A 46 -12.484 14.899 1.189 1.00 0.00 C ATOM 706 C ALA A 46 -10.992 14.638 0.973 1.00 0.00 C ATOM 707 O ALA A 46 -10.152 15.200 1.675 1.00 0.00 O ATOM 708 CB ALA A 46 -13.194 15.321 -0.098 1.00 0.00 C ATOM 0 H ALA A 46 -11.871 16.588 2.268 1.00 0.00 H new ATOM 0 HA ALA A 46 -12.938 13.965 1.520 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -13.069 14.545 -0.854 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -14.256 15.465 0.103 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -12.764 16.254 -0.462 1.00 0.00 H new ATOM 714 N ALA A 47 -10.708 13.786 -0.001 1.00 0.00 N ATOM 715 CA ALA A 47 -9.331 13.444 -0.318 1.00 0.00 C ATOM 716 C ALA A 47 -8.767 14.475 -1.298 1.00 0.00 C ATOM 717 O ALA A 47 -9.473 14.935 -2.194 1.00 0.00 O ATOM 718 CB ALA A 47 -9.274 12.019 -0.872 1.00 0.00 C ATOM 0 H ALA A 47 -11.407 13.322 -0.581 1.00 0.00 H new ATOM 0 HA ALA A 47 -8.712 13.470 0.579 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -8.242 11.762 -1.110 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -9.659 11.323 -0.126 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -9.881 11.955 -1.775 1.00 0.00 H new ATOM 724 N LEU A 48 -7.501 14.807 -1.094 1.00 0.00 N ATOM 725 CA LEU A 48 -6.834 15.774 -1.949 1.00 0.00 C ATOM 726 C LEU A 48 -6.660 15.178 -3.347 1.00 0.00 C ATOM 727 O LEU A 48 -6.854 15.867 -4.348 1.00 0.00 O ATOM 728 CB LEU A 48 -5.524 16.239 -1.311 1.00 0.00 C ATOM 729 CG LEU A 48 -5.652 16.980 0.022 1.00 0.00 C ATOM 730 CD1 LEU A 48 -4.275 17.289 0.612 1.00 0.00 C ATOM 731 CD2 LEU A 48 -6.505 18.241 -0.132 1.00 0.00 C ATOM 0 H LEU A 48 -6.919 14.424 -0.349 1.00 0.00 H new ATOM 0 HA LEU A 48 -7.444 16.671 -2.058 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -4.887 15.367 -1.160 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -5.010 16.890 -2.018 1.00 0.00 H new ATOM 0 HG LEU A 48 -6.166 16.327 0.728 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -4.395 17.816 1.559 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -3.734 16.358 0.781 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -3.714 17.914 -0.082 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -6.580 18.749 0.829 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -6.041 18.907 -0.859 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -7.502 17.966 -0.476 1.00 0.00 H new ATOM 743 N GLU A 49 -6.296 13.905 -3.372 1.00 0.00 N ATOM 744 CA GLU A 49 -6.093 13.208 -4.631 1.00 0.00 C ATOM 745 C GLU A 49 -6.617 11.774 -4.534 1.00 0.00 C ATOM 746 O GLU A 49 -6.837 11.262 -3.438 1.00 0.00 O ATOM 747 CB GLU A 49 -4.618 13.228 -5.037 1.00 0.00 C ATOM 748 CG GLU A 49 -4.208 14.610 -5.550 1.00 0.00 C ATOM 749 CD GLU A 49 -2.691 14.702 -5.723 1.00 0.00 C ATOM 750 OE1 GLU A 49 -2.207 14.208 -6.764 1.00 0.00 O ATOM 751 OE2 GLU A 49 -2.049 15.266 -4.810 1.00 0.00 O ATOM 0 H GLU A 49 -6.136 13.337 -2.540 1.00 0.00 H new ATOM 0 HA GLU A 49 -6.656 13.727 -5.407 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -3.998 12.955 -4.183 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -4.440 12.482 -5.811 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -4.699 14.809 -6.503 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -4.545 15.376 -4.852 1.00 0.00 H new ATOM 758 N SER A 50 -6.801 11.166 -5.697 1.00 0.00 N ATOM 759 CA SER A 50 -7.295 9.801 -5.757 1.00 0.00 C ATOM 760 C SER A 50 -6.597 9.042 -6.888 1.00 0.00 C ATOM 761 O SER A 50 -6.532 9.525 -8.017 1.00 0.00 O ATOM 762 CB SER A 50 -8.811 9.772 -5.955 1.00 0.00 C ATOM 763 OG SER A 50 -9.310 11.014 -6.443 1.00 0.00 O ATOM 0 H SER A 50 -6.617 11.594 -6.605 1.00 0.00 H new ATOM 0 HA SER A 50 -7.071 9.314 -4.808 1.00 0.00 H new ATOM 0 HB2 SER A 50 -9.070 8.977 -6.655 1.00 0.00 H new ATOM 0 HB3 SER A 50 -9.296 9.534 -5.008 1.00 0.00 H new ATOM 0 HG SER A 50 -10.281 10.954 -6.558 1.00 0.00 H new ATOM 769 N GLN A 51 -6.094 7.865 -6.545 1.00 0.00 N ATOM 770 CA GLN A 51 -5.404 7.034 -7.518 1.00 0.00 C ATOM 771 C GLN A 51 -5.631 5.553 -7.207 1.00 0.00 C ATOM 772 O GLN A 51 -5.346 5.097 -6.101 1.00 0.00 O ATOM 773 CB GLN A 51 -3.910 7.363 -7.558 1.00 0.00 C ATOM 774 CG GLN A 51 -3.259 6.801 -8.823 1.00 0.00 C ATOM 775 CD GLN A 51 -3.776 7.518 -10.072 1.00 0.00 C ATOM 776 OE1 GLN A 51 -4.057 8.706 -10.065 1.00 0.00 O ATOM 777 NE2 GLN A 51 -3.886 6.734 -11.140 1.00 0.00 N ATOM 0 H GLN A 51 -6.150 7.467 -5.608 1.00 0.00 H new ATOM 0 HA GLN A 51 -5.816 7.245 -8.505 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -3.771 8.443 -7.522 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -3.419 6.949 -6.677 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -2.176 6.911 -8.758 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -3.467 5.734 -8.900 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -3.634 5.748 -11.077 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -4.223 7.119 -12.023 1.00 0.00 H new ATOM 786 N PRO A 52 -6.156 4.826 -8.229 1.00 0.00 N ATOM 787 CA PRO A 52 -6.425 3.406 -8.076 1.00 0.00 C ATOM 788 C PRO A 52 -5.128 2.595 -8.119 1.00 0.00 C ATOM 789 O PRO A 52 -4.385 2.656 -9.097 1.00 0.00 O ATOM 790 CB PRO A 52 -7.378 3.062 -9.209 1.00 0.00 C ATOM 791 CG PRO A 52 -7.243 4.185 -10.224 1.00 0.00 C ATOM 792 CD PRO A 52 -6.506 5.333 -9.552 1.00 0.00 C ATOM 0 HA PRO A 52 -6.870 3.164 -7.111 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -7.124 2.100 -9.655 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -8.403 2.984 -8.847 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -6.696 3.842 -11.102 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -8.225 4.510 -10.567 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -5.617 5.616 -10.115 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -7.135 6.220 -9.482 1.00 0.00 H new ATOM 800 N LEU A 53 -4.895 1.854 -7.045 1.00 0.00 N ATOM 801 CA LEU A 53 -3.701 1.032 -6.947 1.00 0.00 C ATOM 802 C LEU A 53 -3.680 0.032 -8.105 1.00 0.00 C ATOM 803 O LEU A 53 -2.616 -0.436 -8.506 1.00 0.00 O ATOM 804 CB LEU A 53 -3.613 0.377 -5.567 1.00 0.00 C ATOM 805 CG LEU A 53 -3.378 1.325 -4.389 1.00 0.00 C ATOM 806 CD1 LEU A 53 -3.835 0.690 -3.074 1.00 0.00 C ATOM 807 CD2 LEU A 53 -1.917 1.775 -4.330 1.00 0.00 C ATOM 0 H LEU A 53 -5.513 1.806 -6.235 1.00 0.00 H new ATOM 0 HA LEU A 53 -2.806 1.647 -7.040 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -4.538 -0.172 -5.387 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -2.806 -0.355 -5.585 1.00 0.00 H new ATOM 0 HG LEU A 53 -3.984 2.218 -4.544 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -3.657 1.385 -2.253 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -4.899 0.461 -3.131 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -3.275 -0.229 -2.900 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -1.777 2.448 -3.484 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -1.273 0.904 -4.211 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -1.659 2.294 -5.253 1.00 0.00 H new ATOM 819 N LEU A 54 -4.869 -0.266 -8.609 1.00 0.00 N ATOM 820 CA LEU A 54 -5.000 -1.203 -9.712 1.00 0.00 C ATOM 821 C LEU A 54 -4.032 -0.806 -10.829 1.00 0.00 C ATOM 822 O LEU A 54 -4.339 0.066 -11.641 1.00 0.00 O ATOM 823 CB LEU A 54 -6.458 -1.295 -10.166 1.00 0.00 C ATOM 824 CG LEU A 54 -6.869 -2.607 -10.838 1.00 0.00 C ATOM 825 CD1 LEU A 54 -5.867 -3.004 -11.924 1.00 0.00 C ATOM 826 CD2 LEU A 54 -7.063 -3.716 -9.803 1.00 0.00 C ATOM 0 H LEU A 54 -5.750 0.125 -8.274 1.00 0.00 H new ATOM 0 HA LEU A 54 -4.725 -2.209 -9.393 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -7.099 -1.138 -9.298 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -6.654 -0.477 -10.860 1.00 0.00 H new ATOM 0 HG LEU A 54 -7.830 -2.453 -11.328 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -6.182 -3.940 -12.386 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -5.823 -2.222 -12.682 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -4.880 -3.134 -11.479 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -7.355 -4.637 -10.307 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -6.130 -3.877 -9.263 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -7.843 -3.425 -9.100 1.00 0.00 H new ATOM 838 N GLY A 55 -2.883 -1.466 -10.835 1.00 0.00 N ATOM 839 CA GLY A 55 -1.869 -1.194 -11.839 1.00 0.00 C ATOM 840 C GLY A 55 -0.603 -0.622 -11.198 1.00 0.00 C ATOM 841 O GLY A 55 0.069 0.223 -11.788 1.00 0.00 O ATOM 0 H GLY A 55 -2.632 -2.189 -10.160 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -1.627 -2.112 -12.375 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -2.259 -0.490 -12.574 1.00 0.00 H new ATOM 845 N PHE A 56 -0.314 -1.107 -10.000 1.00 0.00 N ATOM 846 CA PHE A 56 0.860 -0.655 -9.272 1.00 0.00 C ATOM 847 C PHE A 56 1.550 -1.823 -8.565 1.00 0.00 C ATOM 848 O PHE A 56 1.171 -2.978 -8.753 1.00 0.00 O ATOM 849 CB PHE A 56 0.377 0.347 -8.222 1.00 0.00 C ATOM 850 CG PHE A 56 0.213 1.773 -8.752 1.00 0.00 C ATOM 851 CD1 PHE A 56 1.283 2.612 -8.787 1.00 0.00 C ATOM 852 CD2 PHE A 56 -1.002 2.202 -9.188 1.00 0.00 C ATOM 853 CE1 PHE A 56 1.131 3.936 -9.279 1.00 0.00 C ATOM 854 CE2 PHE A 56 -1.153 3.525 -9.680 1.00 0.00 C ATOM 855 CZ PHE A 56 -0.084 4.364 -9.715 1.00 0.00 C ATOM 0 H PHE A 56 -0.873 -1.809 -9.515 1.00 0.00 H new ATOM 0 HA PHE A 56 1.576 -0.208 -9.962 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -0.578 0.007 -7.822 1.00 0.00 H new ATOM 0 HB3 PHE A 56 1.084 0.358 -7.392 1.00 0.00 H new ATOM 0 HD1 PHE A 56 2.248 2.272 -8.441 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -1.852 1.536 -9.160 1.00 0.00 H new ATOM 0 HE1 PHE A 56 1.980 4.603 -9.307 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -2.118 3.865 -10.027 1.00 0.00 H new ATOM 0 HZ PHE A 56 -0.200 5.371 -10.089 1.00 0.00 H new ATOM 865 N THR A 57 2.552 -1.482 -7.768 1.00 0.00 N ATOM 866 CA THR A 57 3.299 -2.488 -7.032 1.00 0.00 C ATOM 867 C THR A 57 3.913 -1.879 -5.770 1.00 0.00 C ATOM 868 O THR A 57 3.885 -0.663 -5.586 1.00 0.00 O ATOM 869 CB THR A 57 4.335 -3.095 -7.980 1.00 0.00 C ATOM 870 OG1 THR A 57 3.636 -3.237 -9.214 1.00 0.00 O ATOM 871 CG2 THR A 57 4.711 -4.528 -7.597 1.00 0.00 C ATOM 0 H THR A 57 2.864 -0.523 -7.616 1.00 0.00 H new ATOM 0 HA THR A 57 2.647 -3.289 -6.684 1.00 0.00 H new ATOM 0 HB THR A 57 5.231 -2.474 -7.984 1.00 0.00 H new ATOM 0 HG1 THR A 57 4.235 -3.623 -9.887 1.00 0.00 H new ATOM 0 HG21 THR A 57 5.449 -4.911 -8.302 1.00 0.00 H new ATOM 0 HG22 THR A 57 5.131 -4.538 -6.591 1.00 0.00 H new ATOM 0 HG23 THR A 57 3.822 -5.157 -7.625 1.00 0.00 H new ATOM 879 N VAL A 58 4.453 -2.753 -4.933 1.00 0.00 N ATOM 880 CA VAL A 58 5.073 -2.316 -3.693 1.00 0.00 C ATOM 881 C VAL A 58 6.242 -3.244 -3.359 1.00 0.00 C ATOM 882 O VAL A 58 6.243 -4.412 -3.745 1.00 0.00 O ATOM 883 CB VAL A 58 4.025 -2.249 -2.580 1.00 0.00 C ATOM 884 CG1 VAL A 58 4.565 -2.853 -1.282 1.00 0.00 C ATOM 885 CG2 VAL A 58 3.551 -0.811 -2.359 1.00 0.00 C ATOM 0 H VAL A 58 4.474 -3.761 -5.089 1.00 0.00 H new ATOM 0 HA VAL A 58 5.477 -1.310 -3.801 1.00 0.00 H new ATOM 0 HB VAL A 58 3.165 -2.841 -2.893 1.00 0.00 H new ATOM 0 HG11 VAL A 58 3.801 -2.793 -0.507 1.00 0.00 H new ATOM 0 HG12 VAL A 58 4.831 -3.897 -1.449 1.00 0.00 H new ATOM 0 HG13 VAL A 58 5.449 -2.300 -0.964 1.00 0.00 H new ATOM 0 HG21 VAL A 58 2.807 -0.792 -1.563 1.00 0.00 H new ATOM 0 HG22 VAL A 58 4.400 -0.187 -2.078 1.00 0.00 H new ATOM 0 HG23 VAL A 58 3.109 -0.428 -3.279 1.00 0.00 H new ATOM 895 N THR A 59 7.210 -2.690 -2.644 1.00 0.00 N ATOM 896 CA THR A 59 8.383 -3.453 -2.253 1.00 0.00 C ATOM 897 C THR A 59 9.018 -2.850 -0.998 1.00 0.00 C ATOM 898 O THR A 59 8.953 -1.641 -0.785 1.00 0.00 O ATOM 899 CB THR A 59 9.334 -3.505 -3.450 1.00 0.00 C ATOM 900 OG1 THR A 59 10.092 -4.694 -3.241 1.00 0.00 O ATOM 901 CG2 THR A 59 10.378 -2.387 -3.417 1.00 0.00 C ATOM 0 H THR A 59 7.206 -1.721 -2.325 1.00 0.00 H new ATOM 0 HA THR A 59 8.118 -4.476 -1.985 1.00 0.00 H new ATOM 0 HB THR A 59 8.759 -3.438 -4.373 1.00 0.00 H new ATOM 0 HG1 THR A 59 10.733 -4.806 -3.974 1.00 0.00 H new ATOM 0 HG21 THR A 59 11.027 -2.470 -4.289 1.00 0.00 H new ATOM 0 HG22 THR A 59 9.876 -1.420 -3.429 1.00 0.00 H new ATOM 0 HG23 THR A 59 10.976 -2.474 -2.510 1.00 0.00 H new ATOM 909 N LEU A 60 9.617 -3.722 -0.200 1.00 0.00 N ATOM 910 CA LEU A 60 10.263 -3.291 1.028 1.00 0.00 C ATOM 911 C LEU A 60 11.628 -2.683 0.695 1.00 0.00 C ATOM 912 O LEU A 60 12.347 -3.196 -0.160 1.00 0.00 O ATOM 913 CB LEU A 60 10.332 -4.444 2.031 1.00 0.00 C ATOM 914 CG LEU A 60 10.764 -4.073 3.451 1.00 0.00 C ATOM 915 CD1 LEU A 60 12.287 -3.962 3.549 1.00 0.00 C ATOM 916 CD2 LEU A 60 10.065 -2.797 3.921 1.00 0.00 C ATOM 0 H LEU A 60 9.668 -4.725 -0.380 1.00 0.00 H new ATOM 0 HA LEU A 60 9.676 -2.512 1.514 1.00 0.00 H new ATOM 0 HB2 LEU A 60 9.350 -4.914 2.082 1.00 0.00 H new ATOM 0 HB3 LEU A 60 11.024 -5.193 1.646 1.00 0.00 H new ATOM 0 HG LEU A 60 10.456 -4.874 4.122 1.00 0.00 H new ATOM 0 HD11 LEU A 60 12.568 -3.697 4.568 1.00 0.00 H new ATOM 0 HD12 LEU A 60 12.739 -4.918 3.285 1.00 0.00 H new ATOM 0 HD13 LEU A 60 12.641 -3.192 2.864 1.00 0.00 H new ATOM 0 HD21 LEU A 60 10.390 -2.556 4.933 1.00 0.00 H new ATOM 0 HD22 LEU A 60 10.320 -1.975 3.252 1.00 0.00 H new ATOM 0 HD23 LEU A 60 8.986 -2.949 3.913 1.00 0.00 H new ATOM 928 N VAL A 61 11.942 -1.599 1.389 1.00 0.00 N ATOM 929 CA VAL A 61 13.208 -0.917 1.178 1.00 0.00 C ATOM 930 C VAL A 61 13.996 -0.896 2.489 1.00 0.00 C ATOM 931 O VAL A 61 13.409 -0.859 3.570 1.00 0.00 O ATOM 932 CB VAL A 61 12.959 0.481 0.607 1.00 0.00 C ATOM 933 CG1 VAL A 61 11.965 1.258 1.472 1.00 0.00 C ATOM 934 CG2 VAL A 61 14.272 1.252 0.454 1.00 0.00 C ATOM 0 H VAL A 61 11.342 -1.176 2.097 1.00 0.00 H new ATOM 0 HA VAL A 61 13.813 -1.451 0.445 1.00 0.00 H new ATOM 0 HB VAL A 61 12.521 0.365 -0.384 1.00 0.00 H new ATOM 0 HG11 VAL A 61 11.806 2.248 1.044 1.00 0.00 H new ATOM 0 HG12 VAL A 61 11.017 0.722 1.508 1.00 0.00 H new ATOM 0 HG13 VAL A 61 12.363 1.359 2.482 1.00 0.00 H new ATOM 0 HG21 VAL A 61 14.067 2.242 0.046 1.00 0.00 H new ATOM 0 HG22 VAL A 61 14.751 1.352 1.428 1.00 0.00 H new ATOM 0 HG23 VAL A 61 14.935 0.711 -0.222 1.00 0.00 H new ATOM 944 N LYS A 62 15.313 -0.919 2.351 1.00 0.00 N ATOM 945 CA LYS A 62 16.188 -0.903 3.512 1.00 0.00 C ATOM 946 C LYS A 62 16.526 0.545 3.870 1.00 0.00 C ATOM 947 O LYS A 62 16.122 1.039 4.922 1.00 0.00 O ATOM 948 CB LYS A 62 17.418 -1.780 3.268 1.00 0.00 C ATOM 949 CG LYS A 62 18.653 -1.193 3.954 1.00 0.00 C ATOM 950 CD LYS A 62 19.710 -2.273 4.197 1.00 0.00 C ATOM 951 CE LYS A 62 20.990 -1.667 4.775 1.00 0.00 C ATOM 952 NZ LYS A 62 20.849 -1.451 6.232 1.00 0.00 N ATOM 0 H LYS A 62 15.796 -0.949 1.453 1.00 0.00 H new ATOM 0 HA LYS A 62 15.683 -1.336 4.376 1.00 0.00 H new ATOM 0 HB2 LYS A 62 17.232 -2.786 3.644 1.00 0.00 H new ATOM 0 HB3 LYS A 62 17.600 -1.868 2.197 1.00 0.00 H new ATOM 0 HG2 LYS A 62 19.074 -0.399 3.337 1.00 0.00 H new ATOM 0 HG3 LYS A 62 18.366 -0.740 4.903 1.00 0.00 H new ATOM 0 HD2 LYS A 62 19.317 -3.024 4.883 1.00 0.00 H new ATOM 0 HD3 LYS A 62 19.936 -2.783 3.261 1.00 0.00 H new ATOM 0 HE2 LYS A 62 21.833 -2.329 4.580 1.00 0.00 H new ATOM 0 HE3 LYS A 62 21.207 -0.720 4.280 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 21.727 -1.039 6.608 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 20.057 -0.801 6.412 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 20.664 -2.360 6.701 1.00 0.00 H new ATOM 966 N ASP A 63 17.263 1.186 2.975 1.00 0.00 N ATOM 967 CA ASP A 63 17.660 2.568 3.184 1.00 0.00 C ATOM 968 C ASP A 63 18.716 2.630 4.289 1.00 0.00 C ATOM 969 O ASP A 63 18.827 1.710 5.097 1.00 0.00 O ATOM 970 CB ASP A 63 16.468 3.424 3.620 1.00 0.00 C ATOM 971 CG ASP A 63 16.491 4.868 3.116 1.00 0.00 C ATOM 972 OD1 ASP A 63 17.235 5.669 3.722 1.00 0.00 O ATOM 973 OD2 ASP A 63 15.763 5.139 2.137 1.00 0.00 O ATOM 0 H ASP A 63 17.596 0.774 2.103 1.00 0.00 H new ATOM 0 HA ASP A 63 18.054 2.951 2.243 1.00 0.00 H new ATOM 0 HB2 ASP A 63 15.551 2.948 3.272 1.00 0.00 H new ATOM 0 HB3 ASP A 63 16.427 3.436 4.709 1.00 0.00 H new ATOM 978 N GLU A 64 19.464 3.723 4.288 1.00 0.00 N ATOM 979 CA GLU A 64 20.507 3.917 5.281 1.00 0.00 C ATOM 980 C GLU A 64 19.906 4.436 6.588 1.00 0.00 C ATOM 981 O GLU A 64 20.537 4.356 7.641 1.00 0.00 O ATOM 982 CB GLU A 64 21.590 4.864 4.761 1.00 0.00 C ATOM 983 CG GLU A 64 21.079 6.305 4.710 1.00 0.00 C ATOM 984 CD GLU A 64 21.269 6.906 3.315 1.00 0.00 C ATOM 985 OE1 GLU A 64 22.429 7.246 2.997 1.00 0.00 O ATOM 986 OE2 GLU A 64 20.251 7.010 2.599 1.00 0.00 O ATOM 0 H GLU A 64 19.369 4.484 3.615 1.00 0.00 H new ATOM 0 HA GLU A 64 20.977 2.954 5.478 1.00 0.00 H new ATOM 0 HB2 GLU A 64 22.467 4.808 5.405 1.00 0.00 H new ATOM 0 HB3 GLU A 64 21.905 4.551 3.766 1.00 0.00 H new ATOM 0 HG2 GLU A 64 20.023 6.330 4.980 1.00 0.00 H new ATOM 0 HG3 GLU A 64 21.610 6.909 5.445 1.00 0.00 H new ATOM 993 N ASN A 65 18.693 4.957 6.479 1.00 0.00 N ATOM 994 CA ASN A 65 17.999 5.490 7.639 1.00 0.00 C ATOM 995 C ASN A 65 17.174 4.378 8.289 1.00 0.00 C ATOM 996 O ASN A 65 17.447 3.976 9.419 1.00 0.00 O ATOM 997 CB ASN A 65 17.044 6.617 7.241 1.00 0.00 C ATOM 998 CG ASN A 65 16.768 7.545 8.425 1.00 0.00 C ATOM 999 OD1 ASN A 65 15.907 7.298 9.253 1.00 0.00 O ATOM 1000 ND2 ASN A 65 17.545 8.624 8.459 1.00 0.00 N ATOM 0 H ASN A 65 18.172 5.021 5.604 1.00 0.00 H new ATOM 0 HA ASN A 65 18.747 5.879 8.330 1.00 0.00 H new ATOM 0 HB2 ASN A 65 17.473 7.189 6.418 1.00 0.00 H new ATOM 0 HB3 ASN A 65 16.107 6.194 6.880 1.00 0.00 H new ATOM 0 HD21 ASN A 65 17.439 9.305 9.211 1.00 0.00 H new ATOM 0 HD22 ASN A 65 18.247 8.770 7.734 1.00 0.00 H new ATOM 1007 N SER A 66 16.180 3.911 7.547 1.00 0.00 N ATOM 1008 CA SER A 66 15.313 2.854 8.037 1.00 0.00 C ATOM 1009 C SER A 66 15.892 1.487 7.666 1.00 0.00 C ATOM 1010 O SER A 66 16.998 1.402 7.134 1.00 0.00 O ATOM 1011 CB SER A 66 13.896 2.999 7.477 1.00 0.00 C ATOM 1012 OG SER A 66 12.922 3.111 8.511 1.00 0.00 O ATOM 0 H SER A 66 15.956 4.246 6.610 1.00 0.00 H new ATOM 0 HA SER A 66 15.256 2.935 9.122 1.00 0.00 H new ATOM 0 HB2 SER A 66 13.848 3.880 6.837 1.00 0.00 H new ATOM 0 HB3 SER A 66 13.663 2.137 6.852 1.00 0.00 H new ATOM 0 HG SER A 66 12.031 3.203 8.113 1.00 0.00 H new ATOM 1018 N GLU A 67 15.120 0.452 7.961 1.00 0.00 N ATOM 1019 CA GLU A 67 15.543 -0.906 7.664 1.00 0.00 C ATOM 1020 C GLU A 67 14.377 -1.711 7.086 1.00 0.00 C ATOM 1021 O GLU A 67 14.537 -2.412 6.088 1.00 0.00 O ATOM 1022 CB GLU A 67 16.114 -1.587 8.910 1.00 0.00 C ATOM 1023 CG GLU A 67 17.562 -1.156 9.155 1.00 0.00 C ATOM 1024 CD GLU A 67 18.218 -2.026 10.229 1.00 0.00 C ATOM 1025 OE1 GLU A 67 17.645 -2.086 11.338 1.00 0.00 O ATOM 1026 OE2 GLU A 67 19.278 -2.611 9.916 1.00 0.00 O ATOM 0 H GLU A 67 14.204 0.526 8.403 1.00 0.00 H new ATOM 0 HA GLU A 67 16.336 -0.864 6.917 1.00 0.00 H new ATOM 0 HB2 GLU A 67 15.504 -1.336 9.778 1.00 0.00 H new ATOM 0 HB3 GLU A 67 16.068 -2.669 8.791 1.00 0.00 H new ATOM 0 HG2 GLU A 67 18.129 -1.228 8.227 1.00 0.00 H new ATOM 0 HG3 GLU A 67 17.587 -0.111 9.463 1.00 0.00 H new ATOM 1033 N SER A 68 13.230 -1.583 7.737 1.00 0.00 N ATOM 1034 CA SER A 68 12.038 -2.289 7.300 1.00 0.00 C ATOM 1035 C SER A 68 10.787 -1.552 7.781 1.00 0.00 C ATOM 1036 O SER A 68 9.725 -2.155 7.927 1.00 0.00 O ATOM 1037 CB SER A 68 12.034 -3.731 7.810 1.00 0.00 C ATOM 1038 OG SER A 68 13.302 -4.361 7.642 1.00 0.00 O ATOM 0 H SER A 68 13.101 -1.000 8.564 1.00 0.00 H new ATOM 0 HA SER A 68 12.038 -2.318 6.210 1.00 0.00 H new ATOM 0 HB2 SER A 68 11.761 -3.741 8.865 1.00 0.00 H new ATOM 0 HB3 SER A 68 11.273 -4.301 7.278 1.00 0.00 H new ATOM 0 HG SER A 68 13.258 -5.279 7.981 1.00 0.00 H new ATOM 1044 N LYS A 69 10.954 -0.259 8.015 1.00 0.00 N ATOM 1045 CA LYS A 69 9.851 0.567 8.477 1.00 0.00 C ATOM 1046 C LYS A 69 9.476 1.568 7.382 1.00 0.00 C ATOM 1047 O LYS A 69 8.901 2.618 7.667 1.00 0.00 O ATOM 1048 CB LYS A 69 10.196 1.221 9.816 1.00 0.00 C ATOM 1049 CG LYS A 69 10.595 0.169 10.853 1.00 0.00 C ATOM 1050 CD LYS A 69 11.805 0.633 11.667 1.00 0.00 C ATOM 1051 CE LYS A 69 11.524 0.538 13.168 1.00 0.00 C ATOM 1052 NZ LYS A 69 12.580 -0.249 13.844 1.00 0.00 N ATOM 0 H LYS A 69 11.837 0.237 7.893 1.00 0.00 H new ATOM 0 HA LYS A 69 8.969 -0.045 8.666 1.00 0.00 H new ATOM 0 HB2 LYS A 69 11.013 1.930 9.679 1.00 0.00 H new ATOM 0 HB3 LYS A 69 9.339 1.788 10.179 1.00 0.00 H new ATOM 0 HG2 LYS A 69 9.756 -0.025 11.521 1.00 0.00 H new ATOM 0 HG3 LYS A 69 10.828 -0.771 10.352 1.00 0.00 H new ATOM 0 HD2 LYS A 69 12.672 0.022 11.416 1.00 0.00 H new ATOM 0 HD3 LYS A 69 12.052 1.661 11.404 1.00 0.00 H new ATOM 0 HE2 LYS A 69 11.475 1.538 13.599 1.00 0.00 H new ATOM 0 HE3 LYS A 69 10.553 0.072 13.333 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 12.374 -0.304 14.862 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 12.607 -1.209 13.444 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 13.501 0.212 13.701 1.00 0.00 H new ATOM 1066 N VAL A 70 9.816 1.208 6.153 1.00 0.00 N ATOM 1067 CA VAL A 70 9.522 2.062 5.015 1.00 0.00 C ATOM 1068 C VAL A 70 9.408 1.202 3.754 1.00 0.00 C ATOM 1069 O VAL A 70 9.955 0.102 3.698 1.00 0.00 O ATOM 1070 CB VAL A 70 10.582 3.159 4.897 1.00 0.00 C ATOM 1071 CG1 VAL A 70 11.992 2.567 4.934 1.00 0.00 C ATOM 1072 CG2 VAL A 70 10.370 3.992 3.630 1.00 0.00 C ATOM 0 H VAL A 70 10.292 0.336 5.921 1.00 0.00 H new ATOM 0 HA VAL A 70 8.565 2.566 5.152 1.00 0.00 H new ATOM 0 HB VAL A 70 10.475 3.821 5.756 1.00 0.00 H new ATOM 0 HG11 VAL A 70 12.726 3.369 4.848 1.00 0.00 H new ATOM 0 HG12 VAL A 70 12.140 2.039 5.876 1.00 0.00 H new ATOM 0 HG13 VAL A 70 12.116 1.871 4.104 1.00 0.00 H new ATOM 0 HG21 VAL A 70 11.137 4.765 3.570 1.00 0.00 H new ATOM 0 HG22 VAL A 70 10.437 3.346 2.755 1.00 0.00 H new ATOM 0 HG23 VAL A 70 9.386 4.459 3.662 1.00 0.00 H new ATOM 1082 N PHE A 71 8.695 1.738 2.774 1.00 0.00 N ATOM 1083 CA PHE A 71 8.503 1.033 1.518 1.00 0.00 C ATOM 1084 C PHE A 71 8.373 2.016 0.353 1.00 0.00 C ATOM 1085 O PHE A 71 8.350 3.229 0.558 1.00 0.00 O ATOM 1086 CB PHE A 71 7.202 0.238 1.646 1.00 0.00 C ATOM 1087 CG PHE A 71 6.048 1.028 2.266 1.00 0.00 C ATOM 1088 CD1 PHE A 71 6.107 1.408 3.570 1.00 0.00 C ATOM 1089 CD2 PHE A 71 4.962 1.351 1.512 1.00 0.00 C ATOM 1090 CE1 PHE A 71 5.036 2.142 4.146 1.00 0.00 C ATOM 1091 CE2 PHE A 71 3.891 2.084 2.087 1.00 0.00 C ATOM 1092 CZ PHE A 71 3.950 2.464 3.392 1.00 0.00 C ATOM 0 H PHE A 71 8.244 2.651 2.824 1.00 0.00 H new ATOM 0 HA PHE A 71 9.357 0.386 1.320 1.00 0.00 H new ATOM 0 HB2 PHE A 71 6.901 -0.109 0.657 1.00 0.00 H new ATOM 0 HB3 PHE A 71 7.388 -0.649 2.252 1.00 0.00 H new ATOM 0 HD1 PHE A 71 6.969 1.152 4.168 1.00 0.00 H new ATOM 0 HD2 PHE A 71 4.915 1.050 0.476 1.00 0.00 H new ATOM 0 HE1 PHE A 71 5.084 2.444 5.182 1.00 0.00 H new ATOM 0 HE2 PHE A 71 3.029 2.340 1.488 1.00 0.00 H new ATOM 0 HZ PHE A 71 3.135 3.021 3.830 1.00 0.00 H new ATOM 1102 N GLN A 72 8.292 1.456 -0.845 1.00 0.00 N ATOM 1103 CA GLN A 72 8.166 2.268 -2.044 1.00 0.00 C ATOM 1104 C GLN A 72 7.009 1.763 -2.908 1.00 0.00 C ATOM 1105 O GLN A 72 6.725 0.566 -2.933 1.00 0.00 O ATOM 1106 CB GLN A 72 9.475 2.285 -2.835 1.00 0.00 C ATOM 1107 CG GLN A 72 10.522 3.161 -2.145 1.00 0.00 C ATOM 1108 CD GLN A 72 11.829 3.182 -2.940 1.00 0.00 C ATOM 1109 OE1 GLN A 72 12.334 4.224 -3.326 1.00 0.00 O ATOM 1110 NE2 GLN A 72 12.347 1.977 -3.162 1.00 0.00 N ATOM 0 H GLN A 72 8.311 0.450 -1.011 1.00 0.00 H new ATOM 0 HA GLN A 72 7.949 3.293 -1.744 1.00 0.00 H new ATOM 0 HB2 GLN A 72 9.856 1.269 -2.936 1.00 0.00 H new ATOM 0 HB3 GLN A 72 9.290 2.658 -3.842 1.00 0.00 H new ATOM 0 HG2 GLN A 72 10.140 4.176 -2.040 1.00 0.00 H new ATOM 0 HG3 GLN A 72 10.710 2.785 -1.139 1.00 0.00 H new ATOM 0 HE21 GLN A 72 11.873 1.145 -2.811 1.00 0.00 H new ATOM 0 HE22 GLN A 72 13.219 1.885 -3.684 1.00 0.00 H new ATOM 1119 N LEU A 73 6.371 2.700 -3.594 1.00 0.00 N ATOM 1120 CA LEU A 73 5.252 2.365 -4.457 1.00 0.00 C ATOM 1121 C LEU A 73 5.744 2.245 -5.901 1.00 0.00 C ATOM 1122 O LEU A 73 5.926 3.252 -6.583 1.00 0.00 O ATOM 1123 CB LEU A 73 4.115 3.373 -4.276 1.00 0.00 C ATOM 1124 CG LEU A 73 2.778 2.999 -4.920 1.00 0.00 C ATOM 1125 CD1 LEU A 73 2.107 1.851 -4.163 1.00 0.00 C ATOM 1126 CD2 LEU A 73 1.864 4.221 -5.035 1.00 0.00 C ATOM 0 H LEU A 73 6.608 3.692 -3.569 1.00 0.00 H new ATOM 0 HA LEU A 73 4.835 1.396 -4.181 1.00 0.00 H new ATOM 0 HB2 LEU A 73 3.953 3.520 -3.208 1.00 0.00 H new ATOM 0 HB3 LEU A 73 4.437 4.331 -4.684 1.00 0.00 H new ATOM 0 HG LEU A 73 2.973 2.646 -5.933 1.00 0.00 H new ATOM 0 HD11 LEU A 73 1.159 1.605 -4.641 1.00 0.00 H new ATOM 0 HD12 LEU A 73 2.758 0.977 -4.176 1.00 0.00 H new ATOM 0 HD13 LEU A 73 1.926 2.152 -3.131 1.00 0.00 H new ATOM 0 HD21 LEU A 73 0.921 3.928 -5.496 1.00 0.00 H new ATOM 0 HD22 LEU A 73 1.672 4.626 -4.042 1.00 0.00 H new ATOM 0 HD23 LEU A 73 2.347 4.980 -5.650 1.00 0.00 H new ATOM 1138 N LEU A 74 5.944 1.006 -6.323 1.00 0.00 N ATOM 1139 CA LEU A 74 6.412 0.742 -7.674 1.00 0.00 C ATOM 1140 C LEU A 74 5.218 0.745 -8.632 1.00 0.00 C ATOM 1141 O LEU A 74 4.100 0.417 -8.237 1.00 0.00 O ATOM 1142 CB LEU A 74 7.229 -0.551 -7.715 1.00 0.00 C ATOM 1143 CG LEU A 74 8.628 -0.479 -7.099 1.00 0.00 C ATOM 1144 CD1 LEU A 74 8.770 -1.470 -5.943 1.00 0.00 C ATOM 1145 CD2 LEU A 74 9.707 -0.684 -8.165 1.00 0.00 C ATOM 0 H LEU A 74 5.791 0.173 -5.754 1.00 0.00 H new ATOM 0 HA LEU A 74 7.089 1.530 -8.004 1.00 0.00 H new ATOM 0 HB2 LEU A 74 6.666 -1.330 -7.200 1.00 0.00 H new ATOM 0 HB3 LEU A 74 7.327 -0.863 -8.755 1.00 0.00 H new ATOM 0 HG LEU A 74 8.768 0.520 -6.686 1.00 0.00 H new ATOM 0 HD11 LEU A 74 9.773 -1.398 -5.523 1.00 0.00 H new ATOM 0 HD12 LEU A 74 8.036 -1.236 -5.171 1.00 0.00 H new ATOM 0 HD13 LEU A 74 8.602 -2.483 -6.309 1.00 0.00 H new ATOM 0 HD21 LEU A 74 10.692 -0.628 -7.701 1.00 0.00 H new ATOM 0 HD22 LEU A 74 9.579 -1.662 -8.629 1.00 0.00 H new ATOM 0 HD23 LEU A 74 9.619 0.092 -8.925 1.00 0.00 H new ATOM 1157 N HIS A 75 5.497 1.119 -9.872 1.00 0.00 N ATOM 1158 CA HIS A 75 4.461 1.170 -10.889 1.00 0.00 C ATOM 1159 C HIS A 75 4.996 0.584 -12.197 1.00 0.00 C ATOM 1160 O HIS A 75 5.629 1.288 -12.983 1.00 0.00 O ATOM 1161 CB HIS A 75 3.928 2.595 -11.051 1.00 0.00 C ATOM 1162 CG HIS A 75 3.217 2.839 -12.361 1.00 0.00 C ATOM 1163 ND1 HIS A 75 3.852 3.367 -13.472 1.00 0.00 N ATOM 1164 CD2 HIS A 75 1.921 2.622 -12.726 1.00 0.00 C ATOM 1165 CE1 HIS A 75 2.969 3.459 -14.455 1.00 0.00 C ATOM 1166 NE2 HIS A 75 1.772 2.998 -13.990 1.00 0.00 N ATOM 0 H HIS A 75 6.426 1.390 -10.195 1.00 0.00 H new ATOM 0 HA HIS A 75 3.612 0.560 -10.579 1.00 0.00 H new ATOM 0 HB2 HIS A 75 3.243 2.811 -10.231 1.00 0.00 H new ATOM 0 HB3 HIS A 75 4.759 3.295 -10.964 1.00 0.00 H new ATOM 0 HD2 HIS A 75 1.147 2.213 -12.093 1.00 0.00 H new ATOM 0 HE1 HIS A 75 3.162 3.833 -15.450 1.00 0.00 H new ATOM 0 HE2 HIS A 75 0.905 2.950 -14.526 1.00 0.00 H new ATOM 1174 N LYS A 76 4.724 -0.698 -12.390 1.00 0.00 N ATOM 1175 CA LYS A 76 5.170 -1.386 -13.589 1.00 0.00 C ATOM 1176 C LYS A 76 6.615 -1.850 -13.397 1.00 0.00 C ATOM 1177 O LYS A 76 7.186 -2.495 -14.275 1.00 0.00 O ATOM 1178 CB LYS A 76 4.967 -0.502 -14.821 1.00 0.00 C ATOM 1179 CG LYS A 76 3.630 0.240 -14.749 1.00 0.00 C ATOM 1180 CD LYS A 76 2.963 0.301 -16.124 1.00 0.00 C ATOM 1181 CE LYS A 76 3.586 1.398 -16.988 1.00 0.00 C ATOM 1182 NZ LYS A 76 4.044 0.843 -18.281 1.00 0.00 N ATOM 0 H LYS A 76 4.200 -1.279 -11.735 1.00 0.00 H new ATOM 0 HA LYS A 76 4.568 -2.278 -13.763 1.00 0.00 H new ATOM 0 HB2 LYS A 76 5.783 0.217 -14.895 1.00 0.00 H new ATOM 0 HB3 LYS A 76 4.999 -1.115 -15.722 1.00 0.00 H new ATOM 0 HG2 LYS A 76 2.969 -0.262 -14.042 1.00 0.00 H new ATOM 0 HG3 LYS A 76 3.790 1.251 -14.373 1.00 0.00 H new ATOM 0 HD2 LYS A 76 3.064 -0.662 -16.624 1.00 0.00 H new ATOM 0 HD3 LYS A 76 1.896 0.488 -16.006 1.00 0.00 H new ATOM 0 HE2 LYS A 76 2.857 2.189 -17.163 1.00 0.00 H new ATOM 0 HE3 LYS A 76 4.427 1.850 -16.462 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 4.464 1.602 -18.855 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 4.755 0.104 -18.109 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 3.235 0.433 -18.789 1.00 0.00 H new ATOM 1196 N GLY A 77 7.166 -1.504 -12.242 1.00 0.00 N ATOM 1197 CA GLY A 77 8.534 -1.878 -11.924 1.00 0.00 C ATOM 1198 C GLY A 77 9.333 -0.667 -11.437 1.00 0.00 C ATOM 1199 O GLY A 77 10.300 -0.817 -10.691 1.00 0.00 O ATOM 0 H GLY A 77 6.690 -0.969 -11.516 1.00 0.00 H new ATOM 0 HA2 GLY A 77 8.534 -2.652 -11.156 1.00 0.00 H new ATOM 0 HA3 GLY A 77 9.013 -2.304 -12.806 1.00 0.00 H new ATOM 1203 N MET A 78 8.900 0.504 -11.879 1.00 0.00 N ATOM 1204 CA MET A 78 9.563 1.739 -11.498 1.00 0.00 C ATOM 1205 C MET A 78 8.946 2.323 -10.225 1.00 0.00 C ATOM 1206 O MET A 78 7.750 2.166 -9.983 1.00 0.00 O ATOM 1207 CB MET A 78 9.444 2.755 -12.636 1.00 0.00 C ATOM 1208 CG MET A 78 10.362 2.383 -13.802 1.00 0.00 C ATOM 1209 SD MET A 78 10.694 3.823 -14.802 1.00 0.00 S ATOM 1210 CE MET A 78 9.819 3.375 -16.292 1.00 0.00 C ATOM 0 H MET A 78 8.098 0.624 -12.498 1.00 0.00 H new ATOM 0 HA MET A 78 10.613 1.520 -11.303 1.00 0.00 H new ATOM 0 HB2 MET A 78 8.411 2.800 -12.982 1.00 0.00 H new ATOM 0 HB3 MET A 78 9.701 3.749 -12.269 1.00 0.00 H new ATOM 0 HG2 MET A 78 11.297 1.971 -13.422 1.00 0.00 H new ATOM 0 HG3 MET A 78 9.895 1.608 -14.410 1.00 0.00 H new ATOM 0 HE1 MET A 78 9.924 4.171 -17.029 1.00 0.00 H new ATOM 0 HE2 MET A 78 10.235 2.451 -16.694 1.00 0.00 H new ATOM 0 HE3 MET A 78 8.763 3.228 -16.064 1.00 0.00 H new ATOM 1220 N VAL A 79 9.789 2.984 -9.446 1.00 0.00 N ATOM 1221 CA VAL A 79 9.342 3.592 -8.205 1.00 0.00 C ATOM 1222 C VAL A 79 8.543 4.858 -8.521 1.00 0.00 C ATOM 1223 O VAL A 79 9.008 5.719 -9.267 1.00 0.00 O ATOM 1224 CB VAL A 79 10.539 3.853 -7.288 1.00 0.00 C ATOM 1225 CG1 VAL A 79 10.146 4.754 -6.116 1.00 0.00 C ATOM 1226 CG2 VAL A 79 11.145 2.540 -6.791 1.00 0.00 C ATOM 0 H VAL A 79 10.780 3.112 -9.651 1.00 0.00 H new ATOM 0 HA VAL A 79 8.679 2.915 -7.666 1.00 0.00 H new ATOM 0 HB VAL A 79 11.299 4.374 -7.870 1.00 0.00 H new ATOM 0 HG11 VAL A 79 11.015 4.924 -5.480 1.00 0.00 H new ATOM 0 HG12 VAL A 79 9.783 5.709 -6.497 1.00 0.00 H new ATOM 0 HG13 VAL A 79 9.359 4.273 -5.535 1.00 0.00 H new ATOM 0 HG21 VAL A 79 11.994 2.754 -6.141 1.00 0.00 H new ATOM 0 HG22 VAL A 79 10.394 1.980 -6.234 1.00 0.00 H new ATOM 0 HG23 VAL A 79 11.480 1.948 -7.643 1.00 0.00 H new ATOM 1236 N PHE A 80 7.356 4.932 -7.938 1.00 0.00 N ATOM 1237 CA PHE A 80 6.489 6.079 -8.148 1.00 0.00 C ATOM 1238 C PHE A 80 6.585 7.061 -6.979 1.00 0.00 C ATOM 1239 O PHE A 80 6.575 8.274 -7.180 1.00 0.00 O ATOM 1240 CB PHE A 80 5.057 5.547 -8.235 1.00 0.00 C ATOM 1241 CG PHE A 80 4.000 6.634 -8.440 1.00 0.00 C ATOM 1242 CD1 PHE A 80 4.074 7.460 -9.518 1.00 0.00 C ATOM 1243 CD2 PHE A 80 2.988 6.776 -7.543 1.00 0.00 C ATOM 1244 CE1 PHE A 80 3.094 8.469 -9.708 1.00 0.00 C ATOM 1245 CE2 PHE A 80 2.007 7.785 -7.733 1.00 0.00 C ATOM 1246 CZ PHE A 80 2.081 8.611 -8.811 1.00 0.00 C ATOM 0 H PHE A 80 6.974 4.216 -7.320 1.00 0.00 H new ATOM 0 HA PHE A 80 6.783 6.606 -9.055 1.00 0.00 H new ATOM 0 HB2 PHE A 80 4.995 4.834 -9.057 1.00 0.00 H new ATOM 0 HB3 PHE A 80 4.828 5.000 -7.321 1.00 0.00 H new ATOM 0 HD1 PHE A 80 4.879 7.348 -10.230 1.00 0.00 H new ATOM 0 HD2 PHE A 80 2.930 6.121 -6.686 1.00 0.00 H new ATOM 0 HE1 PHE A 80 3.152 9.124 -10.565 1.00 0.00 H new ATOM 0 HE2 PHE A 80 1.202 7.896 -7.022 1.00 0.00 H new ATOM 0 HZ PHE A 80 1.336 9.379 -8.955 1.00 0.00 H new ATOM 1256 N TYR A 81 6.677 6.499 -5.782 1.00 0.00 N ATOM 1257 CA TYR A 81 6.775 7.310 -4.580 1.00 0.00 C ATOM 1258 C TYR A 81 7.191 6.460 -3.378 1.00 0.00 C ATOM 1259 O TYR A 81 7.006 5.245 -3.379 1.00 0.00 O ATOM 1260 CB TYR A 81 5.372 7.870 -4.334 1.00 0.00 C ATOM 1261 CG TYR A 81 5.082 9.173 -5.082 1.00 0.00 C ATOM 1262 CD1 TYR A 81 5.990 10.211 -5.038 1.00 0.00 C ATOM 1263 CD2 TYR A 81 3.911 9.309 -5.800 1.00 0.00 C ATOM 1264 CE1 TYR A 81 5.717 11.437 -5.742 1.00 0.00 C ATOM 1265 CE2 TYR A 81 3.638 10.535 -6.504 1.00 0.00 C ATOM 1266 CZ TYR A 81 4.554 11.538 -6.441 1.00 0.00 C ATOM 1267 OH TYR A 81 4.296 12.696 -7.106 1.00 0.00 O ATOM 0 H TYR A 81 6.686 5.492 -5.619 1.00 0.00 H new ATOM 0 HA TYR A 81 7.522 8.094 -4.705 1.00 0.00 H new ATOM 0 HB2 TYR A 81 4.636 7.122 -4.630 1.00 0.00 H new ATOM 0 HB3 TYR A 81 5.242 8.040 -3.265 1.00 0.00 H new ATOM 0 HD1 TYR A 81 6.906 10.104 -4.475 1.00 0.00 H new ATOM 0 HD2 TYR A 81 3.200 8.497 -5.834 1.00 0.00 H new ATOM 0 HE1 TYR A 81 6.419 12.257 -5.716 1.00 0.00 H new ATOM 0 HE2 TYR A 81 2.726 10.655 -7.070 1.00 0.00 H new ATOM 0 HH TYR A 81 3.431 12.626 -7.562 1.00 0.00 H new ATOM 1277 N VAL A 82 7.745 7.135 -2.381 1.00 0.00 N ATOM 1278 CA VAL A 82 8.189 6.457 -1.175 1.00 0.00 C ATOM 1279 C VAL A 82 7.118 6.599 -0.092 1.00 0.00 C ATOM 1280 O VAL A 82 6.299 7.516 -0.140 1.00 0.00 O ATOM 1281 CB VAL A 82 9.553 6.998 -0.742 1.00 0.00 C ATOM 1282 CG1 VAL A 82 10.085 6.234 0.472 1.00 0.00 C ATOM 1283 CG2 VAL A 82 10.552 6.954 -1.899 1.00 0.00 C ATOM 0 H VAL A 82 7.896 8.144 -2.384 1.00 0.00 H new ATOM 0 HA VAL A 82 8.322 5.392 -1.363 1.00 0.00 H new ATOM 0 HB VAL A 82 9.424 8.040 -0.451 1.00 0.00 H new ATOM 0 HG11 VAL A 82 11.056 6.638 0.760 1.00 0.00 H new ATOM 0 HG12 VAL A 82 9.387 6.340 1.303 1.00 0.00 H new ATOM 0 HG13 VAL A 82 10.192 5.179 0.220 1.00 0.00 H new ATOM 0 HG21 VAL A 82 11.513 7.344 -1.565 1.00 0.00 H new ATOM 0 HG22 VAL A 82 10.675 5.924 -2.235 1.00 0.00 H new ATOM 0 HG23 VAL A 82 10.181 7.562 -2.724 1.00 0.00 H new ATOM 1293 N PHE A 83 7.158 5.679 0.861 1.00 0.00 N ATOM 1294 CA PHE A 83 6.202 5.691 1.954 1.00 0.00 C ATOM 1295 C PHE A 83 6.794 5.045 3.208 1.00 0.00 C ATOM 1296 O PHE A 83 7.302 3.926 3.154 1.00 0.00 O ATOM 1297 CB PHE A 83 4.991 4.874 1.498 1.00 0.00 C ATOM 1298 CG PHE A 83 4.115 5.584 0.464 1.00 0.00 C ATOM 1299 CD1 PHE A 83 3.402 6.686 0.818 1.00 0.00 C ATOM 1300 CD2 PHE A 83 4.051 5.113 -0.811 1.00 0.00 C ATOM 1301 CE1 PHE A 83 2.589 7.345 -0.142 1.00 0.00 C ATOM 1302 CE2 PHE A 83 3.238 5.771 -1.771 1.00 0.00 C ATOM 1303 CZ PHE A 83 2.524 6.874 -1.416 1.00 0.00 C ATOM 0 H PHE A 83 7.838 4.920 0.898 1.00 0.00 H new ATOM 0 HA PHE A 83 5.932 6.718 2.200 1.00 0.00 H new ATOM 0 HB2 PHE A 83 5.340 3.931 1.077 1.00 0.00 H new ATOM 0 HB3 PHE A 83 4.382 4.629 2.368 1.00 0.00 H new ATOM 0 HD1 PHE A 83 3.454 7.060 1.830 1.00 0.00 H new ATOM 0 HD2 PHE A 83 4.619 4.239 -1.093 1.00 0.00 H new ATOM 0 HE1 PHE A 83 2.022 8.220 0.140 1.00 0.00 H new ATOM 0 HE2 PHE A 83 3.186 5.396 -2.783 1.00 0.00 H new ATOM 0 HZ PHE A 83 1.906 7.375 -2.146 1.00 0.00 H new ATOM 1313 N LYS A 84 6.709 5.778 4.309 1.00 0.00 N ATOM 1314 CA LYS A 84 7.231 5.291 5.575 1.00 0.00 C ATOM 1315 C LYS A 84 6.067 5.007 6.526 1.00 0.00 C ATOM 1316 O LYS A 84 5.043 5.687 6.479 1.00 0.00 O ATOM 1317 CB LYS A 84 8.263 6.268 6.141 1.00 0.00 C ATOM 1318 CG LYS A 84 8.621 5.912 7.585 1.00 0.00 C ATOM 1319 CD LYS A 84 9.535 6.974 8.201 1.00 0.00 C ATOM 1320 CE LYS A 84 9.114 7.293 9.637 1.00 0.00 C ATOM 1321 NZ LYS A 84 10.271 7.183 10.553 1.00 0.00 N ATOM 0 H LYS A 84 6.286 6.705 4.350 1.00 0.00 H new ATOM 0 HA LYS A 84 7.763 4.350 5.431 1.00 0.00 H new ATOM 0 HB2 LYS A 84 9.162 6.250 5.525 1.00 0.00 H new ATOM 0 HB3 LYS A 84 7.868 7.283 6.100 1.00 0.00 H new ATOM 0 HG2 LYS A 84 7.711 5.822 8.178 1.00 0.00 H new ATOM 0 HG3 LYS A 84 9.116 4.941 7.612 1.00 0.00 H new ATOM 0 HD2 LYS A 84 10.566 6.622 8.190 1.00 0.00 H new ATOM 0 HD3 LYS A 84 9.502 7.882 7.598 1.00 0.00 H new ATOM 0 HE2 LYS A 84 8.699 8.300 9.685 1.00 0.00 H new ATOM 0 HE3 LYS A 84 8.327 6.608 9.952 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 9.968 7.403 11.523 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 10.650 6.215 10.519 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 11.010 7.854 10.261 1.00 0.00 H new ATOM 1335 N ALA A 85 6.262 4.002 7.366 1.00 0.00 N ATOM 1336 CA ALA A 85 5.241 3.620 8.327 1.00 0.00 C ATOM 1337 C ALA A 85 5.776 3.832 9.744 1.00 0.00 C ATOM 1338 O ALA A 85 6.986 3.821 9.963 1.00 0.00 O ATOM 1339 CB ALA A 85 4.819 2.171 8.074 1.00 0.00 C ATOM 0 H ALA A 85 7.112 3.440 7.401 1.00 0.00 H new ATOM 0 HA ALA A 85 4.354 4.243 8.213 1.00 0.00 H new ATOM 0 HB1 ALA A 85 4.053 1.884 8.795 1.00 0.00 H new ATOM 0 HB2 ALA A 85 4.419 2.079 7.064 1.00 0.00 H new ATOM 0 HB3 ALA A 85 5.683 1.516 8.183 1.00 0.00 H new ATOM 1345 N ASP A 86 4.848 4.021 10.670 1.00 0.00 N ATOM 1346 CA ASP A 86 5.210 4.236 12.061 1.00 0.00 C ATOM 1347 C ASP A 86 6.268 3.210 12.472 1.00 0.00 C ATOM 1348 O ASP A 86 7.410 3.570 12.755 1.00 0.00 O ATOM 1349 CB ASP A 86 3.999 4.060 12.980 1.00 0.00 C ATOM 1350 CG ASP A 86 2.903 5.114 12.813 1.00 0.00 C ATOM 1351 OD1 ASP A 86 3.135 6.054 12.022 1.00 0.00 O ATOM 1352 OD2 ASP A 86 1.858 4.956 13.480 1.00 0.00 O ATOM 0 H ASP A 86 3.845 4.030 10.484 1.00 0.00 H new ATOM 0 HA ASP A 86 5.590 5.253 12.157 1.00 0.00 H new ATOM 0 HB2 ASP A 86 3.566 3.076 12.801 1.00 0.00 H new ATOM 0 HB3 ASP A 86 4.342 4.074 14.015 1.00 0.00 H new ATOM 1357 N ASP A 87 5.851 1.952 12.491 1.00 0.00 N ATOM 1358 CA ASP A 87 6.749 0.872 12.863 1.00 0.00 C ATOM 1359 C ASP A 87 6.864 -0.113 11.698 1.00 0.00 C ATOM 1360 O ASP A 87 6.169 0.026 10.692 1.00 0.00 O ATOM 1361 CB ASP A 87 6.217 0.107 14.077 1.00 0.00 C ATOM 1362 CG ASP A 87 6.883 0.464 15.408 1.00 0.00 C ATOM 1363 OD1 ASP A 87 6.484 1.500 15.982 1.00 0.00 O ATOM 1364 OD2 ASP A 87 7.774 -0.308 15.821 1.00 0.00 O ATOM 0 H ASP A 87 4.904 1.657 12.255 1.00 0.00 H new ATOM 0 HA ASP A 87 7.718 1.308 13.107 1.00 0.00 H new ATOM 0 HB2 ASP A 87 5.146 0.291 14.163 1.00 0.00 H new ATOM 0 HB3 ASP A 87 6.344 -0.961 13.899 1.00 0.00 H new ATOM 1369 N ALA A 88 7.747 -1.085 11.872 1.00 0.00 N ATOM 1370 CA ALA A 88 7.963 -2.092 10.847 1.00 0.00 C ATOM 1371 C ALA A 88 6.670 -2.883 10.635 1.00 0.00 C ATOM 1372 O ALA A 88 6.258 -3.113 9.499 1.00 0.00 O ATOM 1373 CB ALA A 88 9.135 -2.989 11.251 1.00 0.00 C ATOM 0 H ALA A 88 8.321 -1.197 12.708 1.00 0.00 H new ATOM 0 HA ALA A 88 8.223 -1.624 9.898 1.00 0.00 H new ATOM 0 HB1 ALA A 88 9.297 -3.744 10.482 1.00 0.00 H new ATOM 0 HB2 ALA A 88 10.035 -2.384 11.361 1.00 0.00 H new ATOM 0 HB3 ALA A 88 8.909 -3.478 12.198 1.00 0.00 H new ATOM 1379 N HIS A 89 6.065 -3.276 11.746 1.00 0.00 N ATOM 1380 CA HIS A 89 4.828 -4.036 11.696 1.00 0.00 C ATOM 1381 C HIS A 89 3.830 -3.331 10.775 1.00 0.00 C ATOM 1382 O HIS A 89 3.220 -3.964 9.915 1.00 0.00 O ATOM 1383 CB HIS A 89 4.274 -4.266 13.104 1.00 0.00 C ATOM 1384 CG HIS A 89 4.470 -5.671 13.619 1.00 0.00 C ATOM 1385 ND1 HIS A 89 3.573 -6.694 13.367 1.00 0.00 N ATOM 1386 CD2 HIS A 89 5.470 -6.213 14.373 1.00 0.00 C ATOM 1387 CE1 HIS A 89 4.021 -7.797 13.949 1.00 0.00 C ATOM 1388 NE2 HIS A 89 5.197 -7.497 14.572 1.00 0.00 N ATOM 0 H HIS A 89 6.409 -3.082 12.687 1.00 0.00 H new ATOM 0 HA HIS A 89 5.021 -5.024 11.278 1.00 0.00 H new ATOM 0 HB2 HIS A 89 4.754 -3.568 13.790 1.00 0.00 H new ATOM 0 HB3 HIS A 89 3.209 -4.034 13.107 1.00 0.00 H new ATOM 0 HD2 HIS A 89 6.337 -5.687 14.745 1.00 0.00 H new ATOM 0 HE1 HIS A 89 3.540 -8.764 13.933 1.00 0.00 H new ATOM 0 HE2 HIS A 89 5.772 -8.151 15.103 1.00 0.00 H new ATOM 1396 N SER A 90 3.695 -2.030 10.986 1.00 0.00 N ATOM 1397 CA SER A 90 2.782 -1.233 10.185 1.00 0.00 C ATOM 1398 C SER A 90 3.086 -1.425 8.698 1.00 0.00 C ATOM 1399 O SER A 90 2.183 -1.686 7.905 1.00 0.00 O ATOM 1400 CB SER A 90 2.872 0.248 10.558 1.00 0.00 C ATOM 1401 OG SER A 90 1.783 0.658 11.381 1.00 0.00 O ATOM 0 H SER A 90 4.203 -1.508 11.700 1.00 0.00 H new ATOM 0 HA SER A 90 1.766 -1.570 10.388 1.00 0.00 H new ATOM 0 HB2 SER A 90 3.811 0.434 11.080 1.00 0.00 H new ATOM 0 HB3 SER A 90 2.887 0.850 9.650 1.00 0.00 H new ATOM 0 HG SER A 90 1.877 1.609 11.599 1.00 0.00 H new ATOM 1407 N THR A 91 4.361 -1.288 8.365 1.00 0.00 N ATOM 1408 CA THR A 91 4.795 -1.443 6.987 1.00 0.00 C ATOM 1409 C THR A 91 4.195 -2.712 6.378 1.00 0.00 C ATOM 1410 O THR A 91 3.445 -2.643 5.405 1.00 0.00 O ATOM 1411 CB THR A 91 6.325 -1.426 6.969 1.00 0.00 C ATOM 1412 OG1 THR A 91 6.664 -0.145 7.494 1.00 0.00 O ATOM 1413 CG2 THR A 91 6.894 -1.408 5.548 1.00 0.00 C ATOM 0 H THR A 91 5.107 -1.071 9.026 1.00 0.00 H new ATOM 0 HA THR A 91 4.438 -0.622 6.365 1.00 0.00 H new ATOM 0 HB THR A 91 6.704 -2.299 7.501 1.00 0.00 H new ATOM 0 HG1 THR A 91 7.037 0.413 6.780 1.00 0.00 H new ATOM 0 HG21 THR A 91 7.983 -1.396 5.592 1.00 0.00 H new ATOM 0 HG22 THR A 91 6.562 -2.297 5.012 1.00 0.00 H new ATOM 0 HG23 THR A 91 6.543 -0.518 5.027 1.00 0.00 H new ATOM 1421 N GLN A 92 4.547 -3.841 6.976 1.00 0.00 N ATOM 1422 CA GLN A 92 4.052 -5.123 6.505 1.00 0.00 C ATOM 1423 C GLN A 92 2.585 -5.004 6.086 1.00 0.00 C ATOM 1424 O GLN A 92 2.220 -5.389 4.976 1.00 0.00 O ATOM 1425 CB GLN A 92 4.232 -6.205 7.571 1.00 0.00 C ATOM 1426 CG GLN A 92 5.657 -6.760 7.555 1.00 0.00 C ATOM 1427 CD GLN A 92 5.910 -7.585 6.292 1.00 0.00 C ATOM 1428 OE1 GLN A 92 5.503 -8.729 6.175 1.00 0.00 O ATOM 1429 NE2 GLN A 92 6.604 -6.943 5.356 1.00 0.00 N ATOM 0 H GLN A 92 5.169 -3.894 7.783 1.00 0.00 H new ATOM 0 HA GLN A 92 4.636 -5.418 5.633 1.00 0.00 H new ATOM 0 HB2 GLN A 92 4.010 -5.791 8.555 1.00 0.00 H new ATOM 0 HB3 GLN A 92 3.521 -7.013 7.397 1.00 0.00 H new ATOM 0 HG2 GLN A 92 6.372 -5.939 7.606 1.00 0.00 H new ATOM 0 HG3 GLN A 92 5.820 -7.379 8.437 1.00 0.00 H new ATOM 0 HE21 GLN A 92 6.915 -5.985 5.518 1.00 0.00 H new ATOM 0 HE22 GLN A 92 6.825 -7.409 4.476 1.00 0.00 H new ATOM 1438 N ARG A 93 1.784 -4.471 6.997 1.00 0.00 N ATOM 1439 CA ARG A 93 0.365 -4.297 6.735 1.00 0.00 C ATOM 1440 C ARG A 93 0.157 -3.448 5.480 1.00 0.00 C ATOM 1441 O ARG A 93 -0.522 -3.871 4.545 1.00 0.00 O ATOM 1442 CB ARG A 93 -0.335 -3.625 7.919 1.00 0.00 C ATOM 1443 CG ARG A 93 -0.493 -4.600 9.087 1.00 0.00 C ATOM 1444 CD ARG A 93 0.571 -4.349 10.159 1.00 0.00 C ATOM 1445 NE ARG A 93 -0.062 -4.286 11.495 1.00 0.00 N ATOM 1446 CZ ARG A 93 -0.710 -3.214 11.970 1.00 0.00 C ATOM 1447 NH1 ARG A 93 -0.814 -2.108 11.221 1.00 0.00 N ATOM 1448 NH2 ARG A 93 -1.253 -3.248 13.195 1.00 0.00 N ATOM 0 H ARG A 93 2.090 -4.154 7.917 1.00 0.00 H new ATOM 0 HA ARG A 93 -0.068 -5.286 6.584 1.00 0.00 H new ATOM 0 HB2 ARG A 93 0.240 -2.756 8.241 1.00 0.00 H new ATOM 0 HB3 ARG A 93 -1.315 -3.262 7.609 1.00 0.00 H new ATOM 0 HG2 ARG A 93 -1.486 -4.493 9.523 1.00 0.00 H new ATOM 0 HG3 ARG A 93 -0.414 -5.625 8.723 1.00 0.00 H new ATOM 0 HD2 ARG A 93 1.316 -5.145 10.137 1.00 0.00 H new ATOM 0 HD3 ARG A 93 1.095 -3.416 9.951 1.00 0.00 H new ATOM 0 HE ARG A 93 -0.001 -5.111 12.092 1.00 0.00 H new ATOM 0 HH11 ARG A 93 -0.400 -2.082 10.289 1.00 0.00 H new ATOM 0 HH12 ARG A 93 -1.307 -1.292 11.583 1.00 0.00 H new ATOM 0 HH21 ARG A 93 -1.173 -4.090 13.765 1.00 0.00 H new ATOM 0 HH22 ARG A 93 -1.746 -2.432 13.557 1.00 0.00 H new ATOM 1462 N TRP A 94 0.753 -2.265 5.498 1.00 0.00 N ATOM 1463 CA TRP A 94 0.642 -1.353 4.373 1.00 0.00 C ATOM 1464 C TRP A 94 1.092 -2.097 3.114 1.00 0.00 C ATOM 1465 O TRP A 94 0.396 -2.087 2.100 1.00 0.00 O ATOM 1466 CB TRP A 94 1.437 -0.070 4.625 1.00 0.00 C ATOM 1467 CG TRP A 94 0.716 0.944 5.516 1.00 0.00 C ATOM 1468 CD1 TRP A 94 0.941 1.213 6.809 1.00 0.00 C ATOM 1469 CD2 TRP A 94 -0.363 1.819 5.123 1.00 0.00 C ATOM 1470 NE1 TRP A 94 0.089 2.193 7.277 1.00 0.00 N ATOM 1471 CE2 TRP A 94 -0.728 2.573 6.219 1.00 0.00 C ATOM 1472 CE3 TRP A 94 -1.008 1.968 3.883 1.00 0.00 C ATOM 1473 CZ2 TRP A 94 -1.751 3.529 6.186 1.00 0.00 C ATOM 1474 CZ3 TRP A 94 -2.028 2.927 3.866 1.00 0.00 C ATOM 1475 CH2 TRP A 94 -2.408 3.694 4.961 1.00 0.00 C ATOM 0 H TRP A 94 1.315 -1.917 6.275 1.00 0.00 H new ATOM 0 HA TRP A 94 -0.391 -1.033 4.238 1.00 0.00 H new ATOM 0 HB2 TRP A 94 2.390 -0.330 5.086 1.00 0.00 H new ATOM 0 HB3 TRP A 94 1.663 0.399 3.667 1.00 0.00 H new ATOM 0 HD1 TRP A 94 1.694 0.725 7.410 1.00 0.00 H new ATOM 0 HE1 TRP A 94 0.064 2.569 8.225 1.00 0.00 H new ATOM 0 HE3 TRP A 94 -0.738 1.389 3.012 1.00 0.00 H new ATOM 0 HZ2 TRP A 94 -2.018 4.107 7.058 1.00 0.00 H new ATOM 0 HZ3 TRP A 94 -2.557 3.082 2.937 1.00 0.00 H new ATOM 0 HH2 TRP A 94 -3.207 4.414 4.867 1.00 0.00 H new ATOM 1486 N ILE A 95 2.254 -2.725 3.221 1.00 0.00 N ATOM 1487 CA ILE A 95 2.805 -3.474 2.104 1.00 0.00 C ATOM 1488 C ILE A 95 1.749 -4.446 1.575 1.00 0.00 C ATOM 1489 O ILE A 95 1.229 -4.265 0.475 1.00 0.00 O ATOM 1490 CB ILE A 95 4.117 -4.151 2.508 1.00 0.00 C ATOM 1491 CG1 ILE A 95 5.187 -3.113 2.852 1.00 0.00 C ATOM 1492 CG2 ILE A 95 4.588 -5.123 1.425 1.00 0.00 C ATOM 1493 CD1 ILE A 95 6.418 -3.778 3.469 1.00 0.00 C ATOM 0 H ILE A 95 2.829 -2.731 4.064 1.00 0.00 H new ATOM 0 HA ILE A 95 3.059 -2.802 1.284 1.00 0.00 H new ATOM 0 HB ILE A 95 3.936 -4.736 3.409 1.00 0.00 H new ATOM 0 HG12 ILE A 95 5.475 -2.571 1.952 1.00 0.00 H new ATOM 0 HG13 ILE A 95 4.778 -2.381 3.548 1.00 0.00 H new ATOM 0 HG21 ILE A 95 5.522 -5.590 1.737 1.00 0.00 H new ATOM 0 HG22 ILE A 95 3.831 -5.892 1.272 1.00 0.00 H new ATOM 0 HG23 ILE A 95 4.747 -4.580 0.493 1.00 0.00 H new ATOM 0 HD11 ILE A 95 7.163 -3.018 3.704 1.00 0.00 H new ATOM 0 HD12 ILE A 95 6.131 -4.299 4.382 1.00 0.00 H new ATOM 0 HD13 ILE A 95 6.839 -4.492 2.761 1.00 0.00 H new ATOM 1505 N ASP A 96 1.462 -5.455 2.384 1.00 0.00 N ATOM 1506 CA ASP A 96 0.476 -6.456 2.012 1.00 0.00 C ATOM 1507 C ASP A 96 -0.808 -5.757 1.561 1.00 0.00 C ATOM 1508 O ASP A 96 -1.489 -6.228 0.651 1.00 0.00 O ATOM 1509 CB ASP A 96 0.133 -7.359 3.198 1.00 0.00 C ATOM 1510 CG ASP A 96 -0.283 -8.783 2.827 1.00 0.00 C ATOM 1511 OD1 ASP A 96 -0.430 -9.033 1.612 1.00 0.00 O ATOM 1512 OD2 ASP A 96 -0.444 -9.591 3.768 1.00 0.00 O ATOM 0 H ASP A 96 1.895 -5.601 3.296 1.00 0.00 H new ATOM 0 HA ASP A 96 0.896 -7.061 1.209 1.00 0.00 H new ATOM 0 HB2 ASP A 96 0.998 -7.410 3.859 1.00 0.00 H new ATOM 0 HB3 ASP A 96 -0.675 -6.897 3.766 1.00 0.00 H new ATOM 1517 N ALA A 97 -1.101 -4.645 2.219 1.00 0.00 N ATOM 1518 CA ALA A 97 -2.292 -3.877 1.898 1.00 0.00 C ATOM 1519 C ALA A 97 -2.159 -3.306 0.485 1.00 0.00 C ATOM 1520 O ALA A 97 -3.142 -3.226 -0.251 1.00 0.00 O ATOM 1521 CB ALA A 97 -2.496 -2.786 2.951 1.00 0.00 C ATOM 0 H ALA A 97 -0.534 -4.257 2.973 1.00 0.00 H new ATOM 0 HA ALA A 97 -3.176 -4.515 1.915 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -3.389 -2.210 2.710 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -2.614 -3.245 3.932 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -1.630 -2.124 2.962 1.00 0.00 H new ATOM 1527 N PHE A 98 -0.936 -2.924 0.148 1.00 0.00 N ATOM 1528 CA PHE A 98 -0.663 -2.363 -1.165 1.00 0.00 C ATOM 1529 C PHE A 98 -0.442 -3.469 -2.199 1.00 0.00 C ATOM 1530 O PHE A 98 -0.747 -3.292 -3.377 1.00 0.00 O ATOM 1531 CB PHE A 98 0.618 -1.535 -1.039 1.00 0.00 C ATOM 1532 CG PHE A 98 0.386 -0.097 -0.572 1.00 0.00 C ATOM 1533 CD1 PHE A 98 -0.348 0.756 -1.336 1.00 0.00 C ATOM 1534 CD2 PHE A 98 0.913 0.329 0.607 1.00 0.00 C ATOM 1535 CE1 PHE A 98 -0.563 2.091 -0.903 1.00 0.00 C ATOM 1536 CE2 PHE A 98 0.698 1.664 1.040 1.00 0.00 C ATOM 1537 CZ PHE A 98 -0.036 2.517 0.276 1.00 0.00 C ATOM 0 H PHE A 98 -0.123 -2.992 0.761 1.00 0.00 H new ATOM 0 HA PHE A 98 -1.508 -1.759 -1.495 1.00 0.00 H new ATOM 0 HB2 PHE A 98 1.291 -2.030 -0.338 1.00 0.00 H new ATOM 0 HB3 PHE A 98 1.122 -1.515 -2.005 1.00 0.00 H new ATOM 0 HD1 PHE A 98 -0.767 0.418 -2.272 1.00 0.00 H new ATOM 0 HD2 PHE A 98 1.495 -0.348 1.214 1.00 0.00 H new ATOM 0 HE1 PHE A 98 -1.145 2.768 -1.510 1.00 0.00 H new ATOM 0 HE2 PHE A 98 1.117 2.002 1.976 1.00 0.00 H new ATOM 0 HZ PHE A 98 -0.200 3.532 0.606 1.00 0.00 H new ATOM 1547 N GLN A 99 0.087 -4.585 -1.720 1.00 0.00 N ATOM 1548 CA GLN A 99 0.353 -5.720 -2.588 1.00 0.00 C ATOM 1549 C GLN A 99 -0.961 -6.350 -3.055 1.00 0.00 C ATOM 1550 O GLN A 99 -1.153 -6.583 -4.247 1.00 0.00 O ATOM 1551 CB GLN A 99 1.238 -6.752 -1.886 1.00 0.00 C ATOM 1552 CG GLN A 99 2.712 -6.535 -2.230 1.00 0.00 C ATOM 1553 CD GLN A 99 3.004 -6.941 -3.676 1.00 0.00 C ATOM 1554 OE1 GLN A 99 2.458 -7.897 -4.202 1.00 0.00 O ATOM 1555 NE2 GLN A 99 3.894 -6.164 -4.287 1.00 0.00 N ATOM 0 H GLN A 99 0.339 -4.728 -0.742 1.00 0.00 H new ATOM 0 HA GLN A 99 0.894 -5.364 -3.465 1.00 0.00 H new ATOM 0 HB2 GLN A 99 1.099 -6.682 -0.807 1.00 0.00 H new ATOM 0 HB3 GLN A 99 0.936 -7.757 -2.182 1.00 0.00 H new ATOM 0 HG2 GLN A 99 2.973 -5.487 -2.083 1.00 0.00 H new ATOM 0 HG3 GLN A 99 3.337 -7.117 -1.552 1.00 0.00 H new ATOM 0 HE21 GLN A 99 4.313 -5.379 -3.788 1.00 0.00 H new ATOM 0 HE22 GLN A 99 4.157 -6.353 -5.254 1.00 0.00 H new ATOM 1564 N GLU A 100 -1.832 -6.608 -2.090 1.00 0.00 N ATOM 1565 CA GLU A 100 -3.122 -7.207 -2.387 1.00 0.00 C ATOM 1566 C GLU A 100 -4.001 -6.219 -3.156 1.00 0.00 C ATOM 1567 O GLU A 100 -4.858 -6.625 -3.939 1.00 0.00 O ATOM 1568 CB GLU A 100 -3.815 -7.678 -1.107 1.00 0.00 C ATOM 1569 CG GLU A 100 -3.681 -9.192 -0.935 1.00 0.00 C ATOM 1570 CD GLU A 100 -5.003 -9.899 -1.244 1.00 0.00 C ATOM 1571 OE1 GLU A 100 -5.633 -9.509 -2.251 1.00 0.00 O ATOM 1572 OE2 GLU A 100 -5.353 -10.812 -0.466 1.00 0.00 O ATOM 0 H GLU A 100 -1.669 -6.413 -1.102 1.00 0.00 H new ATOM 0 HA GLU A 100 -2.959 -8.083 -3.015 1.00 0.00 H new ATOM 0 HB2 GLU A 100 -3.380 -7.171 -0.246 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -4.870 -7.404 -1.139 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -2.900 -9.569 -1.596 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -3.373 -9.420 0.085 1.00 0.00 H new ATOM 1579 N GLY A 101 -3.759 -4.941 -2.905 1.00 0.00 N ATOM 1580 CA GLY A 101 -4.518 -3.892 -3.564 1.00 0.00 C ATOM 1581 C GLY A 101 -4.328 -3.948 -5.081 1.00 0.00 C ATOM 1582 O GLY A 101 -5.286 -4.164 -5.822 1.00 0.00 O ATOM 0 H GLY A 101 -3.048 -4.608 -2.254 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -5.576 -3.997 -3.322 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -4.201 -2.919 -3.190 1.00 0.00 H new ATOM 1586 N THR A 102 -3.086 -3.750 -5.498 1.00 0.00 N ATOM 1587 CA THR A 102 -2.759 -3.776 -6.913 1.00 0.00 C ATOM 1588 C THR A 102 -3.261 -5.072 -7.553 1.00 0.00 C ATOM 1589 O THR A 102 -3.855 -5.047 -8.630 1.00 0.00 O ATOM 1590 CB THR A 102 -1.249 -3.574 -7.053 1.00 0.00 C ATOM 1591 OG1 THR A 102 -0.686 -4.743 -6.462 1.00 0.00 O ATOM 1592 CG2 THR A 102 -0.728 -2.429 -6.182 1.00 0.00 C ATOM 0 H THR A 102 -2.294 -3.571 -4.880 1.00 0.00 H new ATOM 0 HA THR A 102 -3.260 -2.970 -7.450 1.00 0.00 H new ATOM 0 HB THR A 102 -1.005 -3.376 -8.097 1.00 0.00 H new ATOM 0 HG1 THR A 102 0.292 -4.696 -6.511 1.00 0.00 H new ATOM 0 HG21 THR A 102 0.349 -2.328 -6.319 1.00 0.00 H new ATOM 0 HG22 THR A 102 -1.219 -1.500 -6.471 1.00 0.00 H new ATOM 0 HG23 THR A 102 -0.942 -2.642 -5.135 1.00 0.00 H new ATOM 1600 N VAL A 103 -3.003 -6.173 -6.864 1.00 0.00 N ATOM 1601 CA VAL A 103 -3.421 -7.476 -7.351 1.00 0.00 C ATOM 1602 C VAL A 103 -4.899 -7.691 -7.019 1.00 0.00 C ATOM 1603 O VAL A 103 -5.622 -6.734 -6.745 1.00 0.00 O ATOM 1604 CB VAL A 103 -2.514 -8.566 -6.775 1.00 0.00 C ATOM 1605 CG1 VAL A 103 -1.039 -8.202 -6.951 1.00 0.00 C ATOM 1606 CG2 VAL A 103 -2.842 -8.831 -5.305 1.00 0.00 C ATOM 0 H VAL A 103 -2.509 -6.190 -5.972 1.00 0.00 H new ATOM 0 HA VAL A 103 -3.321 -7.528 -8.435 1.00 0.00 H new ATOM 0 HB VAL A 103 -2.700 -9.485 -7.331 1.00 0.00 H new ATOM 0 HG11 VAL A 103 -0.417 -8.993 -6.533 1.00 0.00 H new ATOM 0 HG12 VAL A 103 -0.817 -8.087 -8.012 1.00 0.00 H new ATOM 0 HG13 VAL A 103 -0.831 -7.265 -6.434 1.00 0.00 H new ATOM 0 HG21 VAL A 103 -2.183 -9.609 -4.920 1.00 0.00 H new ATOM 0 HG22 VAL A 103 -2.698 -7.917 -4.730 1.00 0.00 H new ATOM 0 HG23 VAL A 103 -3.879 -9.156 -5.216 1.00 0.00 H new ATOM 1616 N SER A 104 -5.304 -8.952 -7.054 1.00 0.00 N ATOM 1617 CA SER A 104 -6.682 -9.304 -6.760 1.00 0.00 C ATOM 1618 C SER A 104 -6.814 -10.820 -6.605 1.00 0.00 C ATOM 1619 O SER A 104 -6.931 -11.541 -7.595 1.00 0.00 O ATOM 1620 CB SER A 104 -7.625 -8.798 -7.853 1.00 0.00 C ATOM 1621 OG SER A 104 -7.803 -7.385 -7.794 1.00 0.00 O ATOM 0 H SER A 104 -4.701 -9.743 -7.282 1.00 0.00 H new ATOM 0 HA SER A 104 -6.965 -8.824 -5.823 1.00 0.00 H new ATOM 0 HB2 SER A 104 -7.228 -9.073 -8.830 1.00 0.00 H new ATOM 0 HB3 SER A 104 -8.593 -9.290 -7.753 1.00 0.00 H new ATOM 0 HG SER A 104 -7.237 -7.013 -7.086 1.00 0.00 H new ATOM 1627 N GLY A 105 -6.790 -11.260 -5.356 1.00 0.00 N ATOM 1628 CA GLY A 105 -6.905 -12.678 -5.059 1.00 0.00 C ATOM 1629 C GLY A 105 -8.288 -13.009 -4.494 1.00 0.00 C ATOM 1630 O GLY A 105 -8.992 -12.125 -4.008 1.00 0.00 O ATOM 0 H GLY A 105 -6.693 -10.659 -4.537 1.00 0.00 H new ATOM 0 HA2 GLY A 105 -6.730 -13.258 -5.965 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -6.137 -12.967 -4.342 1.00 0.00 H new ATOM 1634 N PRO A 106 -8.645 -14.319 -4.579 1.00 0.00 N ATOM 1635 CA PRO A 106 -9.931 -14.778 -4.083 1.00 0.00 C ATOM 1636 C PRO A 106 -9.938 -14.840 -2.554 1.00 0.00 C ATOM 1637 O PRO A 106 -9.672 -15.889 -1.970 1.00 0.00 O ATOM 1638 CB PRO A 106 -10.142 -16.135 -4.733 1.00 0.00 C ATOM 1639 CG PRO A 106 -8.769 -16.592 -5.198 1.00 0.00 C ATOM 1640 CD PRO A 106 -7.837 -15.393 -5.149 1.00 0.00 C ATOM 0 HA PRO A 106 -10.746 -14.099 -4.336 1.00 0.00 H new ATOM 0 HB2 PRO A 106 -10.571 -16.845 -4.025 1.00 0.00 H new ATOM 0 HB3 PRO A 106 -10.834 -16.063 -5.572 1.00 0.00 H new ATOM 0 HG2 PRO A 106 -8.396 -17.392 -4.558 1.00 0.00 H new ATOM 0 HG3 PRO A 106 -8.823 -16.993 -6.210 1.00 0.00 H new ATOM 0 HD2 PRO A 106 -6.960 -15.598 -4.535 1.00 0.00 H new ATOM 0 HD3 PRO A 106 -7.475 -15.132 -6.143 1.00 0.00 H new ATOM 1648 N SER A 107 -10.245 -13.702 -1.949 1.00 0.00 N ATOM 1649 CA SER A 107 -10.290 -13.613 -0.499 1.00 0.00 C ATOM 1650 C SER A 107 -11.014 -14.831 0.077 1.00 0.00 C ATOM 1651 O SER A 107 -12.173 -15.082 -0.251 1.00 0.00 O ATOM 1652 CB SER A 107 -10.978 -12.324 -0.047 1.00 0.00 C ATOM 1653 OG SER A 107 -12.398 -12.427 -0.106 1.00 0.00 O ATOM 0 H SER A 107 -10.465 -12.833 -2.437 1.00 0.00 H new ATOM 0 HA SER A 107 -9.266 -13.596 -0.125 1.00 0.00 H new ATOM 0 HB2 SER A 107 -10.674 -12.089 0.973 1.00 0.00 H new ATOM 0 HB3 SER A 107 -10.648 -11.497 -0.676 1.00 0.00 H new ATOM 0 HG SER A 107 -12.651 -13.354 -0.299 1.00 0.00 H new ATOM 1659 N SER A 108 -10.302 -15.557 0.927 1.00 0.00 N ATOM 1660 CA SER A 108 -10.862 -16.742 1.552 1.00 0.00 C ATOM 1661 C SER A 108 -10.841 -16.591 3.074 1.00 0.00 C ATOM 1662 O SER A 108 -10.082 -15.786 3.611 1.00 0.00 O ATOM 1663 CB SER A 108 -10.098 -18.000 1.133 1.00 0.00 C ATOM 1664 OG SER A 108 -8.740 -17.967 1.563 1.00 0.00 O ATOM 0 H SER A 108 -9.341 -15.346 1.197 1.00 0.00 H new ATOM 0 HA SER A 108 -11.894 -16.849 1.218 1.00 0.00 H new ATOM 0 HB2 SER A 108 -10.589 -18.879 1.551 1.00 0.00 H new ATOM 0 HB3 SER A 108 -10.133 -18.101 0.048 1.00 0.00 H new ATOM 0 HG SER A 108 -8.287 -18.788 1.278 1.00 0.00 H new ATOM 1670 N GLY A 109 -11.684 -17.378 3.727 1.00 0.00 N ATOM 1671 CA GLY A 109 -11.771 -17.342 5.177 1.00 0.00 C ATOM 1672 C GLY A 109 -12.225 -15.965 5.664 1.00 0.00 C ATOM 1673 O GLY A 109 -13.172 -15.858 6.442 1.00 0.00 O ATOM 0 H GLY A 109 -12.313 -18.044 3.278 1.00 0.00 H new ATOM 0 HA2 GLY A 109 -12.471 -18.103 5.522 1.00 0.00 H new ATOM 0 HA3 GLY A 109 -10.800 -17.583 5.609 1.00 0.00 H new TER 1677 GLY A 109