USER MOD reduce.3.24.130724 H: found=0, std=0, add=855, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 849 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 12 LYS NZ :NH3+ 154:sc= 0 (180deg=0) USER MOD Set 1.2: A 31 ASN : amide:sc= -5.88! C(o=-5.9!,f=-6.3!) USER MOD Single : A 1 GLY N :NH3+ -134:sc= 0.00637 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= -0.0632 USER MOD Single : A 3 SER OG : rot 9:sc= 1.19 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 HIS : no HD1:sc= 0 X(o=0,f=-0.0031) USER MOD Single : A 11 TYR OH : rot 180:sc= -0.0872 USER MOD Single : A 13 GLN : amide:sc= -0.0995 K(o=-0.099,f=-2.2!) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 ASN : amide:sc= 0.327 X(o=0.33,f=0) USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 CYS SG : rot 58:sc= 0.00102 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 38 ASN : amide:sc= -0.805 K(o=-0.81,f=-3.3!) USER MOD Single : A 40 GLN : amide:sc= -0.418 X(o=-0.42,f=-0.7) USER MOD Single : A 43 LYS NZ :NH3+ -157:sc= -0.0229 (180deg=-0.65) USER MOD Single : A 44 HIS : no HD1:sc= -0.216 X(o=-0.22,f=-0.17) USER MOD Single : A 56 SER OG : rot 119:sc= 0.796 USER MOD Single : A 57 HIS : no HD1:sc= -0.687 X(o=-0.69,f=-0.45) USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 TYR OH : rot 180:sc= -0.0247 USER MOD Single : A 63 HIS :FLIP no HD1:sc= -3.04 F(o=-5.8!,f=-3) USER MOD Single : A 64 GLN : amide:sc= -0.278 K(o=-0.28,f=-2.4!) USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 81 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 82 THR OG1 : rot -44:sc= 0.688 USER MOD Single : A 83 SER OG : rot 49:sc= 0.702 USER MOD Single : A 85 ASN : amide:sc=-0.00633 X(o=-0.0063,f=0) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 103 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.0168) USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD Single : A 108 SER OG : rot 51:sc= 0.297 USER MOD Single : A 109 SER OG : rot 27:sc= 0.42 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 11.621 15.973 -25.030 1.00 0.00 N ATOM 2 CA GLY A 1 11.250 14.568 -25.064 1.00 0.00 C ATOM 3 C GLY A 1 10.244 14.240 -23.959 1.00 0.00 C ATOM 4 O GLY A 1 9.324 15.014 -23.702 1.00 0.00 O ATOM 0 H1 GLY A 1 11.591 16.363 -25.994 1.00 0.00 H new ATOM 0 H2 GLY A 1 10.954 16.494 -24.425 1.00 0.00 H new ATOM 0 H3 GLY A 1 12.583 16.069 -24.647 1.00 0.00 H new ATOM 0 HA2 GLY A 1 10.820 14.325 -26.036 1.00 0.00 H new ATOM 0 HA3 GLY A 1 12.140 13.950 -24.946 1.00 0.00 H new ATOM 8 N SER A 2 10.453 13.089 -23.336 1.00 0.00 N ATOM 9 CA SER A 2 9.576 12.648 -22.265 1.00 0.00 C ATOM 10 C SER A 2 8.154 12.462 -22.796 1.00 0.00 C ATOM 11 O SER A 2 7.775 13.074 -23.794 1.00 0.00 O ATOM 12 CB SER A 2 9.583 13.644 -21.103 1.00 0.00 C ATOM 13 OG SER A 2 8.421 13.520 -20.287 1.00 0.00 O ATOM 0 H SER A 2 11.217 12.449 -23.553 1.00 0.00 H new ATOM 0 HA SER A 2 9.945 11.693 -21.892 1.00 0.00 H new ATOM 0 HB2 SER A 2 10.473 13.484 -20.494 1.00 0.00 H new ATOM 0 HB3 SER A 2 9.644 14.659 -21.496 1.00 0.00 H new ATOM 0 HG SER A 2 8.464 14.171 -19.556 1.00 0.00 H new ATOM 19 N SER A 3 7.404 11.615 -22.106 1.00 0.00 N ATOM 20 CA SER A 3 6.032 11.341 -22.496 1.00 0.00 C ATOM 21 C SER A 3 5.319 10.563 -21.389 1.00 0.00 C ATOM 22 O SER A 3 4.298 11.011 -20.868 1.00 0.00 O ATOM 23 CB SER A 3 5.978 10.562 -23.812 1.00 0.00 C ATOM 24 OG SER A 3 6.221 11.400 -24.938 1.00 0.00 O ATOM 0 H SER A 3 7.721 11.109 -21.279 1.00 0.00 H new ATOM 0 HA SER A 3 5.523 12.293 -22.648 1.00 0.00 H new ATOM 0 HB2 SER A 3 6.717 9.761 -23.790 1.00 0.00 H new ATOM 0 HB3 SER A 3 5.000 10.091 -23.915 1.00 0.00 H new ATOM 0 HG SER A 3 6.508 12.285 -24.631 1.00 0.00 H new ATOM 30 N GLY A 4 5.884 9.410 -21.061 1.00 0.00 N ATOM 31 CA GLY A 4 5.315 8.565 -20.025 1.00 0.00 C ATOM 32 C GLY A 4 6.205 8.549 -18.780 1.00 0.00 C ATOM 33 O GLY A 4 6.705 9.590 -18.357 1.00 0.00 O ATOM 0 H GLY A 4 6.730 9.041 -21.495 1.00 0.00 H new ATOM 0 HA2 GLY A 4 4.321 8.926 -19.761 1.00 0.00 H new ATOM 0 HA3 GLY A 4 5.195 7.550 -20.404 1.00 0.00 H new ATOM 37 N SER A 5 6.374 7.357 -18.229 1.00 0.00 N ATOM 38 CA SER A 5 7.195 7.192 -17.041 1.00 0.00 C ATOM 39 C SER A 5 7.571 5.719 -16.866 1.00 0.00 C ATOM 40 O SER A 5 6.733 4.900 -16.492 1.00 0.00 O ATOM 41 CB SER A 5 6.470 7.706 -15.795 1.00 0.00 C ATOM 42 OG SER A 5 7.289 8.582 -15.025 1.00 0.00 O ATOM 0 H SER A 5 5.957 6.496 -18.583 1.00 0.00 H new ATOM 0 HA SER A 5 8.104 7.780 -17.168 1.00 0.00 H new ATOM 0 HB2 SER A 5 5.561 8.228 -16.094 1.00 0.00 H new ATOM 0 HB3 SER A 5 6.164 6.861 -15.179 1.00 0.00 H new ATOM 0 HG SER A 5 6.790 8.890 -14.240 1.00 0.00 H new ATOM 48 N SER A 6 8.833 5.427 -17.144 1.00 0.00 N ATOM 49 CA SER A 6 9.331 4.067 -17.022 1.00 0.00 C ATOM 50 C SER A 6 10.592 4.048 -16.154 1.00 0.00 C ATOM 51 O SER A 6 11.233 5.079 -15.961 1.00 0.00 O ATOM 52 CB SER A 6 9.624 3.462 -18.396 1.00 0.00 C ATOM 53 OG SER A 6 8.439 3.303 -19.172 1.00 0.00 O ATOM 0 H SER A 6 9.526 6.109 -17.453 1.00 0.00 H new ATOM 0 HA SER A 6 8.560 3.462 -16.546 1.00 0.00 H new ATOM 0 HB2 SER A 6 10.325 4.102 -18.932 1.00 0.00 H new ATOM 0 HB3 SER A 6 10.108 2.493 -18.270 1.00 0.00 H new ATOM 0 HG SER A 6 8.668 2.916 -20.043 1.00 0.00 H new ATOM 59 N GLY A 7 10.909 2.862 -15.655 1.00 0.00 N ATOM 60 CA GLY A 7 12.081 2.695 -14.812 1.00 0.00 C ATOM 61 C GLY A 7 11.694 2.148 -13.437 1.00 0.00 C ATOM 62 O GLY A 7 10.604 2.426 -12.938 1.00 0.00 O ATOM 0 H GLY A 7 10.375 2.008 -15.818 1.00 0.00 H new ATOM 0 HA2 GLY A 7 12.785 2.016 -15.292 1.00 0.00 H new ATOM 0 HA3 GLY A 7 12.590 3.652 -14.697 1.00 0.00 H new ATOM 66 N LYS A 8 12.608 1.379 -12.862 1.00 0.00 N ATOM 67 CA LYS A 8 12.376 0.791 -11.554 1.00 0.00 C ATOM 68 C LYS A 8 11.809 1.857 -10.614 1.00 0.00 C ATOM 69 O LYS A 8 12.444 2.884 -10.379 1.00 0.00 O ATOM 70 CB LYS A 8 13.650 0.126 -11.032 1.00 0.00 C ATOM 71 CG LYS A 8 13.318 -1.039 -10.097 1.00 0.00 C ATOM 72 CD LYS A 8 14.542 -1.928 -9.872 1.00 0.00 C ATOM 73 CE LYS A 8 14.707 -2.933 -11.014 1.00 0.00 C ATOM 74 NZ LYS A 8 16.087 -3.468 -11.038 1.00 0.00 N ATOM 0 H LYS A 8 13.510 1.150 -13.279 1.00 0.00 H new ATOM 0 HA LYS A 8 11.633 -0.004 -11.620 1.00 0.00 H new ATOM 0 HB2 LYS A 8 14.246 -0.235 -11.870 1.00 0.00 H new ATOM 0 HB3 LYS A 8 14.257 0.860 -10.502 1.00 0.00 H new ATOM 0 HG2 LYS A 8 12.964 -0.653 -9.141 1.00 0.00 H new ATOM 0 HG3 LYS A 8 12.507 -1.631 -10.522 1.00 0.00 H new ATOM 0 HD2 LYS A 8 15.436 -1.309 -9.795 1.00 0.00 H new ATOM 0 HD3 LYS A 8 14.440 -2.460 -8.926 1.00 0.00 H new ATOM 0 HE2 LYS A 8 13.996 -3.750 -10.893 1.00 0.00 H new ATOM 0 HE3 LYS A 8 14.481 -2.452 -11.965 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 16.182 -4.148 -11.819 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 16.760 -2.687 -11.176 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 16.290 -3.945 -10.136 1.00 0.00 H new ATOM 88 N LEU A 9 10.620 1.576 -10.101 1.00 0.00 N ATOM 89 CA LEU A 9 9.960 2.497 -9.192 1.00 0.00 C ATOM 90 C LEU A 9 10.972 3.001 -8.160 1.00 0.00 C ATOM 91 O LEU A 9 11.899 2.281 -7.792 1.00 0.00 O ATOM 92 CB LEU A 9 8.723 1.845 -8.572 1.00 0.00 C ATOM 93 CG LEU A 9 7.585 1.512 -9.539 1.00 0.00 C ATOM 94 CD1 LEU A 9 7.351 0.002 -9.610 1.00 0.00 C ATOM 95 CD2 LEU A 9 6.310 2.273 -9.168 1.00 0.00 C ATOM 0 H LEU A 9 10.097 0.723 -10.298 1.00 0.00 H new ATOM 0 HA LEU A 9 9.594 3.369 -9.733 1.00 0.00 H new ATOM 0 HB2 LEU A 9 9.032 0.925 -8.075 1.00 0.00 H new ATOM 0 HB3 LEU A 9 8.335 2.509 -7.800 1.00 0.00 H new ATOM 0 HG LEU A 9 7.877 1.840 -10.537 1.00 0.00 H new ATOM 0 HD11 LEU A 9 6.537 -0.208 -10.304 1.00 0.00 H new ATOM 0 HD12 LEU A 9 8.259 -0.491 -9.956 1.00 0.00 H new ATOM 0 HD13 LEU A 9 7.090 -0.373 -8.620 1.00 0.00 H new ATOM 0 HD21 LEU A 9 5.517 2.018 -9.871 1.00 0.00 H new ATOM 0 HD22 LEU A 9 6.003 1.998 -8.159 1.00 0.00 H new ATOM 0 HD23 LEU A 9 6.501 3.345 -9.210 1.00 0.00 H new ATOM 107 N HIS A 10 10.759 4.233 -7.722 1.00 0.00 N ATOM 108 CA HIS A 10 11.641 4.841 -6.740 1.00 0.00 C ATOM 109 C HIS A 10 10.979 4.801 -5.362 1.00 0.00 C ATOM 110 O HIS A 10 9.754 4.817 -5.257 1.00 0.00 O ATOM 111 CB HIS A 10 12.037 6.256 -7.168 1.00 0.00 C ATOM 112 CG HIS A 10 12.829 6.311 -8.452 1.00 0.00 C ATOM 113 ND1 HIS A 10 12.572 7.232 -9.452 1.00 0.00 N ATOM 114 CD2 HIS A 10 13.874 5.550 -8.888 1.00 0.00 C ATOM 115 CE1 HIS A 10 13.429 7.026 -10.441 1.00 0.00 C ATOM 116 NE2 HIS A 10 14.235 5.983 -10.090 1.00 0.00 N ATOM 0 H HIS A 10 9.989 4.827 -8.029 1.00 0.00 H new ATOM 0 HA HIS A 10 12.568 4.271 -6.676 1.00 0.00 H new ATOM 0 HB2 HIS A 10 11.134 6.855 -7.284 1.00 0.00 H new ATOM 0 HB3 HIS A 10 12.623 6.714 -6.372 1.00 0.00 H new ATOM 0 HD2 HIS A 10 14.330 4.734 -8.347 1.00 0.00 H new ATOM 0 HE1 HIS A 10 13.480 7.586 -11.363 1.00 0.00 H new ATOM 0 HE2 HIS A 10 14.991 5.599 -10.658 1.00 0.00 H new ATOM 124 N TYR A 11 11.819 4.750 -4.339 1.00 0.00 N ATOM 125 CA TYR A 11 11.331 4.708 -2.971 1.00 0.00 C ATOM 126 C TYR A 11 10.417 5.899 -2.678 1.00 0.00 C ATOM 127 O TYR A 11 10.271 6.794 -3.509 1.00 0.00 O ATOM 128 CB TYR A 11 12.570 4.800 -2.078 1.00 0.00 C ATOM 129 CG TYR A 11 13.444 3.544 -2.096 1.00 0.00 C ATOM 130 CD1 TYR A 11 12.862 2.296 -2.004 1.00 0.00 C ATOM 131 CD2 TYR A 11 14.815 3.660 -2.203 1.00 0.00 C ATOM 132 CE1 TYR A 11 13.685 1.115 -2.021 1.00 0.00 C ATOM 133 CE2 TYR A 11 15.638 2.478 -2.220 1.00 0.00 C ATOM 134 CZ TYR A 11 15.033 1.264 -2.128 1.00 0.00 C ATOM 135 OH TYR A 11 15.810 0.148 -2.144 1.00 0.00 O ATOM 0 H TYR A 11 12.835 4.737 -4.430 1.00 0.00 H new ATOM 0 HA TYR A 11 10.756 3.798 -2.797 1.00 0.00 H new ATOM 0 HB2 TYR A 11 13.171 5.653 -2.394 1.00 0.00 H new ATOM 0 HB3 TYR A 11 12.253 4.995 -1.053 1.00 0.00 H new ATOM 0 HD1 TYR A 11 11.789 2.205 -1.919 1.00 0.00 H new ATOM 0 HD2 TYR A 11 15.271 4.637 -2.274 1.00 0.00 H new ATOM 0 HE1 TYR A 11 13.242 0.133 -1.950 1.00 0.00 H new ATOM 0 HE2 TYR A 11 16.712 2.554 -2.304 1.00 0.00 H new ATOM 0 HH TYR A 11 16.752 0.406 -2.226 1.00 0.00 H new ATOM 145 N LYS A 12 9.824 5.872 -1.493 1.00 0.00 N ATOM 146 CA LYS A 12 8.927 6.938 -1.080 1.00 0.00 C ATOM 147 C LYS A 12 8.067 7.365 -2.271 1.00 0.00 C ATOM 148 O LYS A 12 8.087 8.528 -2.671 1.00 0.00 O ATOM 149 CB LYS A 12 9.716 8.087 -0.449 1.00 0.00 C ATOM 150 CG LYS A 12 9.238 8.361 0.978 1.00 0.00 C ATOM 151 CD LYS A 12 9.800 7.324 1.953 1.00 0.00 C ATOM 152 CE LYS A 12 10.985 7.894 2.736 1.00 0.00 C ATOM 153 NZ LYS A 12 11.487 6.900 3.711 1.00 0.00 N ATOM 0 H LYS A 12 9.947 5.128 -0.806 1.00 0.00 H new ATOM 0 HA LYS A 12 8.247 6.585 -0.305 1.00 0.00 H new ATOM 0 HB2 LYS A 12 10.778 7.842 -0.440 1.00 0.00 H new ATOM 0 HB3 LYS A 12 9.602 8.987 -1.054 1.00 0.00 H new ATOM 0 HG2 LYS A 12 9.549 9.360 1.284 1.00 0.00 H new ATOM 0 HG3 LYS A 12 8.149 8.343 1.010 1.00 0.00 H new ATOM 0 HD2 LYS A 12 9.019 7.010 2.646 1.00 0.00 H new ATOM 0 HD3 LYS A 12 10.115 6.437 1.404 1.00 0.00 H new ATOM 0 HE2 LYS A 12 11.783 8.173 2.048 1.00 0.00 H new ATOM 0 HE3 LYS A 12 10.682 8.802 3.257 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 12.492 7.084 3.908 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 10.942 6.974 4.594 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 11.381 5.943 3.317 1.00 0.00 H new ATOM 167 N GLN A 13 7.331 6.401 -2.805 1.00 0.00 N ATOM 168 CA GLN A 13 6.465 6.662 -3.942 1.00 0.00 C ATOM 169 C GLN A 13 5.109 5.980 -3.744 1.00 0.00 C ATOM 170 O GLN A 13 5.033 4.756 -3.656 1.00 0.00 O ATOM 171 CB GLN A 13 7.122 6.208 -5.247 1.00 0.00 C ATOM 172 CG GLN A 13 6.201 6.464 -6.442 1.00 0.00 C ATOM 173 CD GLN A 13 7.011 6.660 -7.725 1.00 0.00 C ATOM 174 OE1 GLN A 13 8.197 6.946 -7.704 1.00 0.00 O ATOM 175 NE2 GLN A 13 6.306 6.492 -8.840 1.00 0.00 N ATOM 0 H GLN A 13 7.317 5.437 -2.471 1.00 0.00 H new ATOM 0 HA GLN A 13 6.302 7.738 -4.011 1.00 0.00 H new ATOM 0 HB2 GLN A 13 8.063 6.739 -5.388 1.00 0.00 H new ATOM 0 HB3 GLN A 13 7.361 5.146 -5.188 1.00 0.00 H new ATOM 0 HG2 GLN A 13 5.516 5.625 -6.564 1.00 0.00 H new ATOM 0 HG3 GLN A 13 5.592 7.348 -6.254 1.00 0.00 H new ATOM 0 HE21 GLN A 13 5.316 6.253 -8.786 1.00 0.00 H new ATOM 0 HE22 GLN A 13 6.755 6.602 -9.749 1.00 0.00 H new ATOM 184 N ILE A 14 4.073 6.803 -3.680 1.00 0.00 N ATOM 185 CA ILE A 14 2.724 6.295 -3.495 1.00 0.00 C ATOM 186 C ILE A 14 2.290 5.541 -4.754 1.00 0.00 C ATOM 187 O ILE A 14 2.434 6.048 -5.865 1.00 0.00 O ATOM 188 CB ILE A 14 1.775 7.427 -3.098 1.00 0.00 C ATOM 189 CG1 ILE A 14 2.359 8.255 -1.951 1.00 0.00 C ATOM 190 CG2 ILE A 14 0.384 6.884 -2.763 1.00 0.00 C ATOM 191 CD1 ILE A 14 1.881 7.729 -0.596 1.00 0.00 C ATOM 0 H ILE A 14 4.140 7.818 -3.753 1.00 0.00 H new ATOM 0 HA ILE A 14 2.695 5.582 -2.671 1.00 0.00 H new ATOM 0 HB ILE A 14 1.663 8.095 -3.952 1.00 0.00 H new ATOM 0 HG12 ILE A 14 3.448 8.224 -1.993 1.00 0.00 H new ATOM 0 HG13 ILE A 14 2.065 9.298 -2.064 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -0.271 7.709 -2.484 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -0.027 6.373 -3.634 1.00 0.00 H new ATOM 0 HG23 ILE A 14 0.458 6.182 -1.932 1.00 0.00 H new ATOM 0 HD11 ILE A 14 2.311 8.335 0.202 1.00 0.00 H new ATOM 0 HD12 ILE A 14 0.793 7.784 -0.548 1.00 0.00 H new ATOM 0 HD13 ILE A 14 2.198 6.693 -0.475 1.00 0.00 H new ATOM 203 N VAL A 15 1.768 4.343 -4.537 1.00 0.00 N ATOM 204 CA VAL A 15 1.312 3.515 -5.640 1.00 0.00 C ATOM 205 C VAL A 15 0.113 2.682 -5.185 1.00 0.00 C ATOM 206 O VAL A 15 -0.133 2.544 -3.988 1.00 0.00 O ATOM 207 CB VAL A 15 2.468 2.661 -6.166 1.00 0.00 C ATOM 208 CG1 VAL A 15 3.388 3.482 -7.072 1.00 0.00 C ATOM 209 CG2 VAL A 15 3.253 2.031 -5.014 1.00 0.00 C ATOM 0 H VAL A 15 1.651 3.926 -3.614 1.00 0.00 H new ATOM 0 HA VAL A 15 0.979 4.136 -6.472 1.00 0.00 H new ATOM 0 HB VAL A 15 2.043 1.854 -6.763 1.00 0.00 H new ATOM 0 HG11 VAL A 15 4.201 2.852 -7.432 1.00 0.00 H new ATOM 0 HG12 VAL A 15 2.819 3.861 -7.921 1.00 0.00 H new ATOM 0 HG13 VAL A 15 3.800 4.319 -6.509 1.00 0.00 H new ATOM 0 HG21 VAL A 15 4.069 1.429 -5.416 1.00 0.00 H new ATOM 0 HG22 VAL A 15 3.661 2.817 -4.379 1.00 0.00 H new ATOM 0 HG23 VAL A 15 2.590 1.397 -4.426 1.00 0.00 H new ATOM 219 N TRP A 16 -0.602 2.147 -6.164 1.00 0.00 N ATOM 220 CA TRP A 16 -1.770 1.332 -5.879 1.00 0.00 C ATOM 221 C TRP A 16 -1.334 -0.135 -5.878 1.00 0.00 C ATOM 222 O TRP A 16 -1.000 -0.687 -6.925 1.00 0.00 O ATOM 223 CB TRP A 16 -2.896 1.619 -6.874 1.00 0.00 C ATOM 224 CG TRP A 16 -3.615 2.948 -6.633 1.00 0.00 C ATOM 225 CD1 TRP A 16 -3.375 4.133 -7.211 1.00 0.00 C ATOM 226 CD2 TRP A 16 -4.709 3.180 -5.720 1.00 0.00 C ATOM 227 NE1 TRP A 16 -4.230 5.108 -6.739 1.00 0.00 N ATOM 228 CE2 TRP A 16 -5.067 4.510 -5.804 1.00 0.00 C ATOM 229 CE3 TRP A 16 -5.374 2.296 -4.853 1.00 0.00 C ATOM 230 CZ2 TRP A 16 -6.101 5.075 -5.047 1.00 0.00 C ATOM 231 CZ3 TRP A 16 -6.404 2.876 -4.103 1.00 0.00 C ATOM 232 CH2 TRP A 16 -6.777 4.213 -4.176 1.00 0.00 C ATOM 0 H TRP A 16 -0.394 2.262 -7.156 1.00 0.00 H new ATOM 0 HA TRP A 16 -2.179 1.575 -4.898 1.00 0.00 H new ATOM 0 HB2 TRP A 16 -2.484 1.618 -7.883 1.00 0.00 H new ATOM 0 HB3 TRP A 16 -3.624 0.810 -6.826 1.00 0.00 H new ATOM 0 HD1 TRP A 16 -2.609 4.304 -7.953 1.00 0.00 H new ATOM 0 HE1 TRP A 16 -4.245 6.087 -7.024 1.00 0.00 H new ATOM 0 HE3 TRP A 16 -5.111 1.252 -4.772 1.00 0.00 H new ATOM 0 HZ2 TRP A 16 -6.363 6.119 -5.131 1.00 0.00 H new ATOM 0 HZ3 TRP A 16 -6.947 2.240 -3.420 1.00 0.00 H new ATOM 0 HH2 TRP A 16 -7.585 4.585 -3.563 1.00 0.00 H new ATOM 243 N VAL A 17 -1.351 -0.723 -4.691 1.00 0.00 N ATOM 244 CA VAL A 17 -0.961 -2.115 -4.540 1.00 0.00 C ATOM 245 C VAL A 17 -2.091 -3.014 -5.046 1.00 0.00 C ATOM 246 O VAL A 17 -3.257 -2.790 -4.727 1.00 0.00 O ATOM 247 CB VAL A 17 -0.578 -2.396 -3.086 1.00 0.00 C ATOM 248 CG1 VAL A 17 -1.611 -3.302 -2.412 1.00 0.00 C ATOM 249 CG2 VAL A 17 0.824 -3.001 -2.995 1.00 0.00 C ATOM 0 H VAL A 17 -1.629 -0.261 -3.825 1.00 0.00 H new ATOM 0 HA VAL A 17 -0.079 -2.332 -5.142 1.00 0.00 H new ATOM 0 HB VAL A 17 -0.568 -1.445 -2.553 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -1.315 -3.486 -1.379 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -2.587 -2.816 -2.429 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -1.668 -4.250 -2.947 1.00 0.00 H new ATOM 0 HG21 VAL A 17 1.071 -3.191 -1.951 1.00 0.00 H new ATOM 0 HG22 VAL A 17 0.853 -3.938 -3.551 1.00 0.00 H new ATOM 0 HG23 VAL A 17 1.549 -2.306 -3.419 1.00 0.00 H new ATOM 259 N LYS A 18 -1.704 -4.013 -5.826 1.00 0.00 N ATOM 260 CA LYS A 18 -2.670 -4.947 -6.379 1.00 0.00 C ATOM 261 C LYS A 18 -2.913 -6.076 -5.376 1.00 0.00 C ATOM 262 O LYS A 18 -1.972 -6.742 -4.945 1.00 0.00 O ATOM 263 CB LYS A 18 -2.216 -5.435 -7.756 1.00 0.00 C ATOM 264 CG LYS A 18 -3.309 -6.265 -8.432 1.00 0.00 C ATOM 265 CD LYS A 18 -2.921 -6.617 -9.870 1.00 0.00 C ATOM 266 CE LYS A 18 -4.163 -6.843 -10.733 1.00 0.00 C ATOM 267 NZ LYS A 18 -4.106 -8.171 -11.386 1.00 0.00 N ATOM 0 H LYS A 18 -0.735 -4.196 -6.088 1.00 0.00 H new ATOM 0 HA LYS A 18 -3.628 -4.453 -6.542 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -1.963 -4.580 -8.383 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -1.311 -6.034 -7.653 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -3.480 -7.179 -7.864 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -4.246 -5.709 -8.430 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -2.320 -5.814 -10.295 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -2.303 -7.515 -9.874 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -5.059 -6.772 -10.117 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -4.234 -6.062 -11.490 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -4.957 -8.308 -11.968 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -3.261 -8.225 -11.990 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -4.060 -8.914 -10.659 1.00 0.00 H new ATOM 281 N LEU A 19 -4.180 -6.258 -5.033 1.00 0.00 N ATOM 282 CA LEU A 19 -4.558 -7.296 -4.089 1.00 0.00 C ATOM 283 C LEU A 19 -5.236 -8.442 -4.842 1.00 0.00 C ATOM 284 O LEU A 19 -4.627 -9.486 -5.070 1.00 0.00 O ATOM 285 CB LEU A 19 -5.412 -6.709 -2.963 1.00 0.00 C ATOM 286 CG LEU A 19 -4.742 -5.635 -2.103 1.00 0.00 C ATOM 287 CD1 LEU A 19 -5.405 -5.542 -0.727 1.00 0.00 C ATOM 288 CD2 LEU A 19 -3.235 -5.878 -1.997 1.00 0.00 C ATOM 0 H LEU A 19 -4.958 -5.704 -5.392 1.00 0.00 H new ATOM 0 HA LEU A 19 -3.674 -7.712 -3.605 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -6.314 -6.284 -3.402 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -5.728 -7.523 -2.311 1.00 0.00 H new ATOM 0 HG LEU A 19 -4.879 -4.671 -2.593 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -4.910 -4.772 -0.136 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -6.458 -5.287 -0.847 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -5.320 -6.501 -0.217 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -2.784 -5.101 -1.381 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -3.055 -6.852 -1.542 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -2.792 -5.855 -2.993 1.00 0.00 H new ATOM 300 N GLY A 20 -6.488 -8.208 -5.207 1.00 0.00 N ATOM 301 CA GLY A 20 -7.256 -9.209 -5.929 1.00 0.00 C ATOM 302 C GLY A 20 -7.863 -8.619 -7.204 1.00 0.00 C ATOM 303 O GLY A 20 -7.386 -8.889 -8.305 1.00 0.00 O ATOM 0 H GLY A 20 -6.990 -7.341 -5.017 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -6.613 -10.052 -6.184 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -8.049 -9.595 -5.289 1.00 0.00 H new ATOM 307 N ASN A 21 -8.905 -7.824 -7.012 1.00 0.00 N ATOM 308 CA ASN A 21 -9.582 -7.194 -8.133 1.00 0.00 C ATOM 309 C ASN A 21 -10.834 -6.474 -7.628 1.00 0.00 C ATOM 310 O ASN A 21 -11.462 -6.914 -6.666 1.00 0.00 O ATOM 311 CB ASN A 21 -10.020 -8.233 -9.167 1.00 0.00 C ATOM 312 CG ASN A 21 -9.709 -7.757 -10.588 1.00 0.00 C ATOM 313 OD1 ASN A 21 -10.580 -7.348 -11.338 1.00 0.00 O ATOM 314 ND2 ASN A 21 -8.422 -7.833 -10.914 1.00 0.00 N ATOM 0 H ASN A 21 -9.297 -7.602 -6.097 1.00 0.00 H new ATOM 0 HA ASN A 21 -8.886 -6.495 -8.597 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -9.511 -9.178 -8.977 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -11.089 -8.421 -9.068 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -8.112 -7.539 -11.840 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -7.745 -8.185 -10.238 1.00 0.00 H new ATOM 321 N TYR A 22 -11.159 -5.378 -8.299 1.00 0.00 N ATOM 322 CA TYR A 22 -12.324 -4.593 -7.930 1.00 0.00 C ATOM 323 C TYR A 22 -12.209 -4.083 -6.492 1.00 0.00 C ATOM 324 O TYR A 22 -13.205 -4.010 -5.774 1.00 0.00 O ATOM 325 CB TYR A 22 -13.521 -5.542 -8.028 1.00 0.00 C ATOM 326 CG TYR A 22 -14.630 -5.050 -8.959 1.00 0.00 C ATOM 327 CD1 TYR A 22 -15.629 -4.232 -8.471 1.00 0.00 C ATOM 328 CD2 TYR A 22 -14.633 -5.424 -10.287 1.00 0.00 C ATOM 329 CE1 TYR A 22 -16.674 -3.769 -9.347 1.00 0.00 C ATOM 330 CE2 TYR A 22 -15.677 -4.962 -11.164 1.00 0.00 C ATOM 331 CZ TYR A 22 -16.646 -4.157 -10.651 1.00 0.00 C ATOM 332 OH TYR A 22 -17.632 -3.720 -11.479 1.00 0.00 O ATOM 0 H TYR A 22 -10.635 -5.016 -9.096 1.00 0.00 H new ATOM 0 HA TYR A 22 -12.424 -3.725 -8.582 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -13.173 -6.514 -8.376 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -13.937 -5.690 -7.031 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -15.627 -3.939 -7.432 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -13.851 -6.064 -10.669 1.00 0.00 H new ATOM 0 HE1 TYR A 22 -17.462 -3.129 -8.978 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -15.691 -5.248 -12.205 1.00 0.00 H new ATOM 0 HH TYR A 22 -17.483 -4.075 -12.380 1.00 0.00 H new ATOM 342 N ARG A 23 -10.986 -3.744 -6.114 1.00 0.00 N ATOM 343 CA ARG A 23 -10.727 -3.243 -4.775 1.00 0.00 C ATOM 344 C ARG A 23 -9.393 -2.496 -4.736 1.00 0.00 C ATOM 345 O ARG A 23 -9.366 -1.272 -4.613 1.00 0.00 O ATOM 346 CB ARG A 23 -10.694 -4.385 -3.757 1.00 0.00 C ATOM 347 CG ARG A 23 -11.849 -4.265 -2.761 1.00 0.00 C ATOM 348 CD ARG A 23 -12.190 -5.626 -2.150 1.00 0.00 C ATOM 349 NE ARG A 23 -12.724 -6.530 -3.193 1.00 0.00 N ATOM 350 CZ ARG A 23 -14.005 -6.550 -3.585 1.00 0.00 C ATOM 351 NH1 ARG A 23 -14.891 -5.717 -3.023 1.00 0.00 N ATOM 352 NH2 ARG A 23 -14.400 -7.404 -4.539 1.00 0.00 N ATOM 0 H ARG A 23 -10.162 -3.806 -6.712 1.00 0.00 H new ATOM 0 HA ARG A 23 -11.536 -2.561 -4.514 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -10.755 -5.342 -4.276 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -9.745 -4.372 -3.222 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -11.581 -3.564 -1.970 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -12.726 -3.858 -3.263 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -11.300 -6.064 -1.698 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -12.924 -5.503 -1.354 1.00 0.00 H new ATOM 0 HE ARG A 23 -12.076 -7.178 -3.641 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -14.590 -5.067 -2.296 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -15.866 -5.732 -3.322 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -13.726 -8.039 -4.967 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -15.375 -7.420 -4.838 1.00 0.00 H new ATOM 366 N TRP A 24 -8.318 -3.263 -4.842 1.00 0.00 N ATOM 367 CA TRP A 24 -6.983 -2.689 -4.821 1.00 0.00 C ATOM 368 C TRP A 24 -6.753 -2.079 -3.436 1.00 0.00 C ATOM 369 O TRP A 24 -7.681 -1.985 -2.634 1.00 0.00 O ATOM 370 CB TRP A 24 -6.803 -1.679 -5.956 1.00 0.00 C ATOM 371 CG TRP A 24 -6.673 -2.316 -7.341 1.00 0.00 C ATOM 372 CD1 TRP A 24 -7.647 -2.817 -8.113 1.00 0.00 C ATOM 373 CD2 TRP A 24 -5.455 -2.500 -8.092 1.00 0.00 C ATOM 374 NE1 TRP A 24 -7.148 -3.309 -9.301 1.00 0.00 N ATOM 375 CE2 TRP A 24 -5.772 -3.111 -9.288 1.00 0.00 C ATOM 376 CE3 TRP A 24 -4.128 -2.163 -7.771 1.00 0.00 C ATOM 377 CZ2 TRP A 24 -4.818 -3.436 -10.259 1.00 0.00 C ATOM 378 CZ3 TRP A 24 -3.186 -2.495 -8.752 1.00 0.00 C ATOM 379 CH2 TRP A 24 -3.490 -3.110 -9.961 1.00 0.00 C ATOM 0 H TRP A 24 -8.344 -4.278 -4.943 1.00 0.00 H new ATOM 0 HA TRP A 24 -6.229 -3.458 -4.993 1.00 0.00 H new ATOM 0 HB2 TRP A 24 -7.653 -0.997 -5.960 1.00 0.00 H new ATOM 0 HB3 TRP A 24 -5.914 -1.080 -5.758 1.00 0.00 H new ATOM 0 HD1 TRP A 24 -8.692 -2.833 -7.839 1.00 0.00 H new ATOM 0 HE1 TRP A 24 -7.689 -3.739 -10.051 1.00 0.00 H new ATOM 0 HE3 TRP A 24 -3.857 -1.686 -6.841 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 -5.092 -3.913 -11.189 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 -2.151 -2.257 -8.556 1.00 0.00 H new ATOM 0 HH2 TRP A 24 -2.705 -3.335 -10.667 1.00 0.00 H new ATOM 390 N TRP A 25 -5.512 -1.682 -3.199 1.00 0.00 N ATOM 391 CA TRP A 25 -5.148 -1.084 -1.925 1.00 0.00 C ATOM 392 C TRP A 25 -3.968 -0.141 -2.165 1.00 0.00 C ATOM 393 O TRP A 25 -3.002 -0.508 -2.833 1.00 0.00 O ATOM 394 CB TRP A 25 -4.851 -2.161 -0.879 1.00 0.00 C ATOM 395 CG TRP A 25 -4.955 -1.670 0.566 1.00 0.00 C ATOM 396 CD1 TRP A 25 -4.012 -1.068 1.303 1.00 0.00 C ATOM 397 CD2 TRP A 25 -6.111 -1.765 1.425 1.00 0.00 C ATOM 398 NE1 TRP A 25 -4.474 -0.769 2.569 1.00 0.00 N ATOM 399 CE2 TRP A 25 -5.791 -1.207 2.645 1.00 0.00 C ATOM 400 CE3 TRP A 25 -7.386 -2.305 1.178 1.00 0.00 C ATOM 401 CZ2 TRP A 25 -6.691 -1.134 3.715 1.00 0.00 C ATOM 402 CZ3 TRP A 25 -8.274 -2.225 2.258 1.00 0.00 C ATOM 403 CH2 TRP A 25 -7.966 -1.666 3.493 1.00 0.00 C ATOM 0 H TRP A 25 -4.745 -1.762 -3.867 1.00 0.00 H new ATOM 0 HA TRP A 25 -5.978 -0.506 -1.519 1.00 0.00 H new ATOM 0 HB2 TRP A 25 -5.543 -2.991 -1.021 1.00 0.00 H new ATOM 0 HB3 TRP A 25 -3.847 -2.550 -1.048 1.00 0.00 H new ATOM 0 HD1 TRP A 25 -3.016 -0.845 0.951 1.00 0.00 H new ATOM 0 HE1 TRP A 25 -3.946 -0.311 3.312 1.00 0.00 H new ATOM 0 HE3 TRP A 25 -7.659 -2.746 0.231 1.00 0.00 H new ATOM 0 HZ2 TRP A 25 -6.416 -0.691 4.661 1.00 0.00 H new ATOM 0 HZ3 TRP A 25 -9.268 -2.626 2.122 1.00 0.00 H new ATOM 0 HH2 TRP A 25 -8.708 -1.642 4.278 1.00 0.00 H new ATOM 414 N PRO A 26 -4.087 1.086 -1.593 1.00 0.00 N ATOM 415 CA PRO A 26 -3.041 2.085 -1.738 1.00 0.00 C ATOM 416 C PRO A 26 -1.838 1.751 -0.853 1.00 0.00 C ATOM 417 O PRO A 26 -1.996 1.187 0.229 1.00 0.00 O ATOM 418 CB PRO A 26 -3.702 3.403 -1.369 1.00 0.00 C ATOM 419 CG PRO A 26 -4.953 3.038 -0.588 1.00 0.00 C ATOM 420 CD PRO A 26 -5.216 1.555 -0.795 1.00 0.00 C ATOM 0 HA PRO A 26 -2.636 2.127 -2.749 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -3.034 4.021 -0.769 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -3.952 3.978 -2.261 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -4.819 3.258 0.471 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -5.803 3.628 -0.931 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -5.275 1.027 0.157 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -6.162 1.389 -1.311 1.00 0.00 H new ATOM 428 N ALA A 27 -0.663 2.113 -1.346 1.00 0.00 N ATOM 429 CA ALA A 27 0.566 1.860 -0.614 1.00 0.00 C ATOM 430 C ALA A 27 1.689 2.720 -1.197 1.00 0.00 C ATOM 431 O ALA A 27 1.568 3.236 -2.307 1.00 0.00 O ATOM 432 CB ALA A 27 0.891 0.365 -0.664 1.00 0.00 C ATOM 0 H ALA A 27 -0.536 2.580 -2.244 1.00 0.00 H new ATOM 0 HA ALA A 27 0.451 2.135 0.435 1.00 0.00 H new ATOM 0 HB1 ALA A 27 1.813 0.175 -0.115 1.00 0.00 H new ATOM 0 HB2 ALA A 27 0.076 -0.200 -0.212 1.00 0.00 H new ATOM 0 HB3 ALA A 27 1.016 0.054 -1.701 1.00 0.00 H new ATOM 438 N GLU A 28 2.756 2.848 -0.422 1.00 0.00 N ATOM 439 CA GLU A 28 3.900 3.637 -0.848 1.00 0.00 C ATOM 440 C GLU A 28 5.185 2.816 -0.729 1.00 0.00 C ATOM 441 O GLU A 28 5.392 2.121 0.265 1.00 0.00 O ATOM 442 CB GLU A 28 4.001 4.934 -0.043 1.00 0.00 C ATOM 443 CG GLU A 28 5.321 5.653 -0.325 1.00 0.00 C ATOM 444 CD GLU A 28 5.560 6.778 0.684 1.00 0.00 C ATOM 445 OE1 GLU A 28 4.863 7.809 0.561 1.00 0.00 O ATOM 446 OE2 GLU A 28 6.434 6.582 1.556 1.00 0.00 O ATOM 0 H GLU A 28 2.853 2.419 0.498 1.00 0.00 H new ATOM 0 HA GLU A 28 3.761 3.907 -1.895 1.00 0.00 H new ATOM 0 HB2 GLU A 28 3.166 5.588 -0.294 1.00 0.00 H new ATOM 0 HB3 GLU A 28 3.924 4.712 1.021 1.00 0.00 H new ATOM 0 HG2 GLU A 28 6.144 4.940 -0.281 1.00 0.00 H new ATOM 0 HG3 GLU A 28 5.307 6.063 -1.335 1.00 0.00 H new ATOM 453 N ILE A 29 6.016 2.924 -1.755 1.00 0.00 N ATOM 454 CA ILE A 29 7.275 2.200 -1.778 1.00 0.00 C ATOM 455 C ILE A 29 8.211 2.780 -0.715 1.00 0.00 C ATOM 456 O ILE A 29 8.413 3.992 -0.655 1.00 0.00 O ATOM 457 CB ILE A 29 7.870 2.203 -3.188 1.00 0.00 C ATOM 458 CG1 ILE A 29 6.935 1.507 -4.179 1.00 0.00 C ATOM 459 CG2 ILE A 29 9.271 1.589 -3.194 1.00 0.00 C ATOM 460 CD1 ILE A 29 7.435 1.673 -5.615 1.00 0.00 C ATOM 0 H ILE A 29 5.842 3.502 -2.577 1.00 0.00 H new ATOM 0 HA ILE A 29 7.116 1.151 -1.526 1.00 0.00 H new ATOM 0 HB ILE A 29 7.971 3.238 -3.513 1.00 0.00 H new ATOM 0 HG12 ILE A 29 6.865 0.447 -3.935 1.00 0.00 H new ATOM 0 HG13 ILE A 29 5.931 1.922 -4.090 1.00 0.00 H new ATOM 0 HG21 ILE A 29 9.670 1.604 -4.208 1.00 0.00 H new ATOM 0 HG22 ILE A 29 9.924 2.166 -2.539 1.00 0.00 H new ATOM 0 HG23 ILE A 29 9.219 0.560 -2.840 1.00 0.00 H new ATOM 0 HD11 ILE A 29 6.752 1.169 -6.299 1.00 0.00 H new ATOM 0 HD12 ILE A 29 7.481 2.733 -5.864 1.00 0.00 H new ATOM 0 HD13 ILE A 29 8.429 1.235 -5.707 1.00 0.00 H new ATOM 472 N CYS A 30 8.757 1.887 0.097 1.00 0.00 N ATOM 473 CA CYS A 30 9.666 2.294 1.155 1.00 0.00 C ATOM 474 C CYS A 30 11.043 1.696 0.861 1.00 0.00 C ATOM 475 O CYS A 30 11.212 0.967 -0.115 1.00 0.00 O ATOM 476 CB CYS A 30 9.148 1.885 2.535 1.00 0.00 C ATOM 477 SG CYS A 30 7.706 2.914 2.992 1.00 0.00 S ATOM 0 H CYS A 30 8.587 0.883 0.044 1.00 0.00 H new ATOM 0 HA CYS A 30 9.740 3.381 1.176 1.00 0.00 H new ATOM 0 HB2 CYS A 30 8.867 0.832 2.530 1.00 0.00 H new ATOM 0 HB3 CYS A 30 9.937 2.000 3.278 1.00 0.00 H new ATOM 0 HG CYS A 30 6.780 2.789 2.088 1.00 0.00 H new ATOM 483 N ASN A 31 11.993 2.026 1.724 1.00 0.00 N ATOM 484 CA ASN A 31 13.350 1.530 1.570 1.00 0.00 C ATOM 485 C ASN A 31 13.566 0.346 2.514 1.00 0.00 C ATOM 486 O ASN A 31 12.883 0.225 3.530 1.00 0.00 O ATOM 487 CB ASN A 31 14.375 2.610 1.923 1.00 0.00 C ATOM 488 CG ASN A 31 14.005 3.948 1.279 1.00 0.00 C ATOM 489 OD1 ASN A 31 14.511 4.324 0.234 1.00 0.00 O ATOM 490 ND2 ASN A 31 13.098 4.643 1.958 1.00 0.00 N ATOM 0 H ASN A 31 11.849 2.631 2.532 1.00 0.00 H new ATOM 0 HA ASN A 31 13.484 1.232 0.530 1.00 0.00 H new ATOM 0 HB2 ASN A 31 14.429 2.726 3.006 1.00 0.00 H new ATOM 0 HB3 ASN A 31 15.365 2.301 1.586 1.00 0.00 H new ATOM 0 HD21 ASN A 31 12.785 5.550 1.611 1.00 0.00 H new ATOM 0 HD22 ASN A 31 12.715 4.270 2.826 1.00 0.00 H new ATOM 497 N PRO A 32 14.544 -0.520 2.136 1.00 0.00 N ATOM 498 CA PRO A 32 14.859 -1.690 2.938 1.00 0.00 C ATOM 499 C PRO A 32 15.642 -1.300 4.193 1.00 0.00 C ATOM 500 O PRO A 32 15.664 -2.046 5.171 1.00 0.00 O ATOM 501 CB PRO A 32 15.642 -2.604 2.009 1.00 0.00 C ATOM 502 CG PRO A 32 16.136 -1.721 0.875 1.00 0.00 C ATOM 503 CD PRO A 32 15.373 -0.408 0.939 1.00 0.00 C ATOM 0 HA PRO A 32 13.969 -2.194 3.314 1.00 0.00 H new ATOM 0 HB2 PRO A 32 16.476 -3.071 2.532 1.00 0.00 H new ATOM 0 HB3 PRO A 32 15.012 -3.409 1.631 1.00 0.00 H new ATOM 0 HG2 PRO A 32 17.208 -1.544 0.968 1.00 0.00 H new ATOM 0 HG3 PRO A 32 15.976 -2.209 -0.086 1.00 0.00 H new ATOM 0 HD2 PRO A 32 16.052 0.442 1.006 1.00 0.00 H new ATOM 0 HD3 PRO A 32 14.764 -0.260 0.047 1.00 0.00 H new ATOM 511 N ARG A 33 16.265 -0.133 4.124 1.00 0.00 N ATOM 512 CA ARG A 33 17.047 0.365 5.243 1.00 0.00 C ATOM 513 C ARG A 33 16.133 1.020 6.280 1.00 0.00 C ATOM 514 O ARG A 33 16.569 1.337 7.386 1.00 0.00 O ATOM 515 CB ARG A 33 18.090 1.383 4.777 1.00 0.00 C ATOM 516 CG ARG A 33 19.157 0.715 3.907 1.00 0.00 C ATOM 517 CD ARG A 33 20.110 -0.127 4.759 1.00 0.00 C ATOM 518 NE ARG A 33 21.170 0.732 5.331 1.00 0.00 N ATOM 519 CZ ARG A 33 21.089 1.330 6.528 1.00 0.00 C ATOM 520 NH1 ARG A 33 19.996 1.165 7.286 1.00 0.00 N ATOM 521 NH2 ARG A 33 22.100 2.092 6.966 1.00 0.00 N ATOM 0 H ARG A 33 16.244 0.482 3.311 1.00 0.00 H new ATOM 0 HA ARG A 33 17.561 -0.485 5.692 1.00 0.00 H new ATOM 0 HB2 ARG A 33 17.601 2.178 4.213 1.00 0.00 H new ATOM 0 HB3 ARG A 33 18.561 1.849 5.643 1.00 0.00 H new ATOM 0 HG2 ARG A 33 18.678 0.084 3.158 1.00 0.00 H new ATOM 0 HG3 ARG A 33 19.721 1.476 3.368 1.00 0.00 H new ATOM 0 HD2 ARG A 33 19.557 -0.619 5.560 1.00 0.00 H new ATOM 0 HD3 ARG A 33 20.557 -0.913 4.151 1.00 0.00 H new ATOM 0 HE ARG A 33 22.016 0.878 4.780 1.00 0.00 H new ATOM 0 HH11 ARG A 33 19.227 0.585 6.952 1.00 0.00 H new ATOM 0 HH12 ARG A 33 19.934 1.620 8.197 1.00 0.00 H new ATOM 0 HH21 ARG A 33 22.932 2.217 6.389 1.00 0.00 H new ATOM 0 HH22 ARG A 33 22.038 2.547 7.877 1.00 0.00 H new ATOM 535 N SER A 34 14.881 1.205 5.886 1.00 0.00 N ATOM 536 CA SER A 34 13.901 1.817 6.767 1.00 0.00 C ATOM 537 C SER A 34 13.129 0.734 7.524 1.00 0.00 C ATOM 538 O SER A 34 13.149 0.697 8.753 1.00 0.00 O ATOM 539 CB SER A 34 12.936 2.708 5.983 1.00 0.00 C ATOM 540 OG SER A 34 12.864 4.024 6.525 1.00 0.00 O ATOM 0 H SER A 34 14.523 0.942 4.968 1.00 0.00 H new ATOM 0 HA SER A 34 14.430 2.445 7.484 1.00 0.00 H new ATOM 0 HB2 SER A 34 13.256 2.762 4.942 1.00 0.00 H new ATOM 0 HB3 SER A 34 11.943 2.259 5.988 1.00 0.00 H new ATOM 0 HG SER A 34 12.239 4.562 5.996 1.00 0.00 H new ATOM 546 N VAL A 35 12.467 -0.120 6.757 1.00 0.00 N ATOM 547 CA VAL A 35 11.690 -1.200 7.340 1.00 0.00 C ATOM 548 C VAL A 35 12.554 -1.959 8.348 1.00 0.00 C ATOM 549 O VAL A 35 13.782 -1.919 8.273 1.00 0.00 O ATOM 550 CB VAL A 35 11.132 -2.099 6.234 1.00 0.00 C ATOM 551 CG1 VAL A 35 10.331 -1.285 5.217 1.00 0.00 C ATOM 552 CG2 VAL A 35 12.253 -2.883 5.548 1.00 0.00 C ATOM 0 H VAL A 35 12.453 -0.086 5.738 1.00 0.00 H new ATOM 0 HA VAL A 35 10.832 -0.803 7.882 1.00 0.00 H new ATOM 0 HB VAL A 35 10.454 -2.817 6.696 1.00 0.00 H new ATOM 0 HG11 VAL A 35 9.946 -1.948 4.442 1.00 0.00 H new ATOM 0 HG12 VAL A 35 9.499 -0.793 5.720 1.00 0.00 H new ATOM 0 HG13 VAL A 35 10.977 -0.533 4.763 1.00 0.00 H new ATOM 0 HG21 VAL A 35 11.830 -3.514 4.766 1.00 0.00 H new ATOM 0 HG22 VAL A 35 12.966 -2.187 5.106 1.00 0.00 H new ATOM 0 HG23 VAL A 35 12.762 -3.507 6.282 1.00 0.00 H new ATOM 562 N PRO A 36 11.863 -2.651 9.293 1.00 0.00 N ATOM 563 CA PRO A 36 12.555 -3.418 10.315 1.00 0.00 C ATOM 564 C PRO A 36 13.127 -4.714 9.735 1.00 0.00 C ATOM 565 O PRO A 36 12.697 -5.166 8.675 1.00 0.00 O ATOM 566 CB PRO A 36 11.514 -3.660 11.396 1.00 0.00 C ATOM 567 CG PRO A 36 10.165 -3.426 10.737 1.00 0.00 C ATOM 568 CD PRO A 36 10.409 -2.722 9.412 1.00 0.00 C ATOM 0 HA PRO A 36 13.419 -2.893 10.722 1.00 0.00 H new ATOM 0 HB2 PRO A 36 11.586 -4.675 11.787 1.00 0.00 H new ATOM 0 HB3 PRO A 36 11.660 -2.983 12.237 1.00 0.00 H new ATOM 0 HG2 PRO A 36 9.649 -4.373 10.577 1.00 0.00 H new ATOM 0 HG3 PRO A 36 9.526 -2.820 11.379 1.00 0.00 H new ATOM 0 HD2 PRO A 36 9.970 -3.276 8.582 1.00 0.00 H new ATOM 0 HD3 PRO A 36 9.962 -1.728 9.403 1.00 0.00 H new ATOM 576 N LEU A 37 14.087 -5.273 10.456 1.00 0.00 N ATOM 577 CA LEU A 37 14.723 -6.507 10.027 1.00 0.00 C ATOM 578 C LEU A 37 13.646 -7.553 9.728 1.00 0.00 C ATOM 579 O LEU A 37 13.760 -8.308 8.763 1.00 0.00 O ATOM 580 CB LEU A 37 15.755 -6.966 11.059 1.00 0.00 C ATOM 581 CG LEU A 37 17.222 -6.828 10.646 1.00 0.00 C ATOM 582 CD1 LEU A 37 17.532 -7.693 9.424 1.00 0.00 C ATOM 583 CD2 LEU A 37 17.592 -5.361 10.419 1.00 0.00 C ATOM 0 H LEU A 37 14.440 -4.894 11.335 1.00 0.00 H new ATOM 0 HA LEU A 37 15.280 -6.347 9.104 1.00 0.00 H new ATOM 0 HB2 LEU A 37 15.601 -6.397 11.976 1.00 0.00 H new ATOM 0 HB3 LEU A 37 15.562 -8.012 11.297 1.00 0.00 H new ATOM 0 HG LEU A 37 17.843 -7.194 11.464 1.00 0.00 H new ATOM 0 HD11 LEU A 37 18.581 -7.576 9.152 1.00 0.00 H new ATOM 0 HD12 LEU A 37 17.332 -8.739 9.658 1.00 0.00 H new ATOM 0 HD13 LEU A 37 16.904 -7.382 8.589 1.00 0.00 H new ATOM 0 HD21 LEU A 37 18.640 -5.291 10.127 1.00 0.00 H new ATOM 0 HD22 LEU A 37 16.966 -4.946 9.629 1.00 0.00 H new ATOM 0 HD23 LEU A 37 17.434 -4.799 11.340 1.00 0.00 H new ATOM 595 N ASN A 38 12.626 -7.563 10.572 1.00 0.00 N ATOM 596 CA ASN A 38 11.530 -8.504 10.410 1.00 0.00 C ATOM 597 C ASN A 38 11.173 -8.614 8.927 1.00 0.00 C ATOM 598 O ASN A 38 10.925 -9.709 8.424 1.00 0.00 O ATOM 599 CB ASN A 38 10.284 -8.032 11.162 1.00 0.00 C ATOM 600 CG ASN A 38 9.066 -8.880 10.792 1.00 0.00 C ATOM 601 OD1 ASN A 38 8.097 -8.406 10.221 1.00 0.00 O ATOM 602 ND2 ASN A 38 9.168 -10.158 11.147 1.00 0.00 N ATOM 0 H ASN A 38 12.535 -6.935 11.370 1.00 0.00 H new ATOM 0 HA ASN A 38 11.850 -9.466 10.809 1.00 0.00 H new ATOM 0 HB2 ASN A 38 10.459 -8.090 12.236 1.00 0.00 H new ATOM 0 HB3 ASN A 38 10.088 -6.986 10.927 1.00 0.00 H new ATOM 0 HD21 ASN A 38 8.407 -10.806 10.944 1.00 0.00 H new ATOM 0 HD22 ASN A 38 10.007 -10.490 11.623 1.00 0.00 H new ATOM 609 N ILE A 39 11.159 -7.465 8.267 1.00 0.00 N ATOM 610 CA ILE A 39 10.837 -7.419 6.851 1.00 0.00 C ATOM 611 C ILE A 39 12.067 -7.830 6.039 1.00 0.00 C ATOM 612 O ILE A 39 11.983 -8.704 5.178 1.00 0.00 O ATOM 613 CB ILE A 39 10.282 -6.045 6.472 1.00 0.00 C ATOM 614 CG1 ILE A 39 9.258 -5.564 7.503 1.00 0.00 C ATOM 615 CG2 ILE A 39 9.705 -6.058 5.055 1.00 0.00 C ATOM 616 CD1 ILE A 39 8.242 -6.663 7.820 1.00 0.00 C ATOM 0 H ILE A 39 11.366 -6.559 8.687 1.00 0.00 H new ATOM 0 HA ILE A 39 10.047 -8.132 6.617 1.00 0.00 H new ATOM 0 HB ILE A 39 11.105 -5.331 6.478 1.00 0.00 H new ATOM 0 HG12 ILE A 39 9.770 -5.263 8.417 1.00 0.00 H new ATOM 0 HG13 ILE A 39 8.740 -4.683 7.123 1.00 0.00 H new ATOM 0 HG21 ILE A 39 9.317 -5.069 4.811 1.00 0.00 H new ATOM 0 HG22 ILE A 39 10.488 -6.326 4.346 1.00 0.00 H new ATOM 0 HG23 ILE A 39 8.898 -6.788 4.997 1.00 0.00 H new ATOM 0 HD11 ILE A 39 7.526 -6.295 8.555 1.00 0.00 H new ATOM 0 HD12 ILE A 39 7.714 -6.945 6.909 1.00 0.00 H new ATOM 0 HD13 ILE A 39 8.761 -7.533 8.223 1.00 0.00 H new ATOM 628 N GLN A 40 13.181 -7.180 6.342 1.00 0.00 N ATOM 629 CA GLN A 40 14.427 -7.467 5.651 1.00 0.00 C ATOM 630 C GLN A 40 14.670 -8.977 5.602 1.00 0.00 C ATOM 631 O GLN A 40 15.316 -9.475 4.681 1.00 0.00 O ATOM 632 CB GLN A 40 15.601 -6.744 6.314 1.00 0.00 C ATOM 633 CG GLN A 40 15.367 -5.232 6.343 1.00 0.00 C ATOM 634 CD GLN A 40 16.688 -4.477 6.503 1.00 0.00 C ATOM 635 OE1 GLN A 40 17.682 -4.769 5.859 1.00 0.00 O ATOM 636 NE2 GLN A 40 16.643 -3.492 7.396 1.00 0.00 N ATOM 0 H GLN A 40 13.247 -6.455 7.057 1.00 0.00 H new ATOM 0 HA GLN A 40 14.347 -7.098 4.629 1.00 0.00 H new ATOM 0 HB2 GLN A 40 15.734 -7.115 7.330 1.00 0.00 H new ATOM 0 HB3 GLN A 40 16.521 -6.963 5.772 1.00 0.00 H new ATOM 0 HG2 GLN A 40 14.874 -4.919 5.423 1.00 0.00 H new ATOM 0 HG3 GLN A 40 14.698 -4.979 7.165 1.00 0.00 H new ATOM 0 HE21 GLN A 40 15.778 -3.300 7.901 1.00 0.00 H new ATOM 0 HE22 GLN A 40 17.474 -2.928 7.576 1.00 0.00 H new ATOM 645 N GLY A 41 14.141 -9.663 6.604 1.00 0.00 N ATOM 646 CA GLY A 41 14.293 -11.106 6.686 1.00 0.00 C ATOM 647 C GLY A 41 13.576 -11.799 5.526 1.00 0.00 C ATOM 648 O GLY A 41 14.012 -12.853 5.063 1.00 0.00 O ATOM 0 H GLY A 41 13.606 -9.246 7.366 1.00 0.00 H new ATOM 0 HA2 GLY A 41 15.352 -11.365 6.671 1.00 0.00 H new ATOM 0 HA3 GLY A 41 13.890 -11.465 7.633 1.00 0.00 H new ATOM 652 N LEU A 42 12.490 -11.180 5.088 1.00 0.00 N ATOM 653 CA LEU A 42 11.709 -11.725 3.990 1.00 0.00 C ATOM 654 C LEU A 42 12.638 -12.035 2.814 1.00 0.00 C ATOM 655 O LEU A 42 13.008 -13.188 2.598 1.00 0.00 O ATOM 656 CB LEU A 42 10.557 -10.783 3.633 1.00 0.00 C ATOM 657 CG LEU A 42 9.617 -10.409 4.780 1.00 0.00 C ATOM 658 CD1 LEU A 42 8.664 -9.287 4.364 1.00 0.00 C ATOM 659 CD2 LEU A 42 8.864 -11.638 5.295 1.00 0.00 C ATOM 0 H LEU A 42 12.132 -10.306 5.473 1.00 0.00 H new ATOM 0 HA LEU A 42 11.242 -12.665 4.284 1.00 0.00 H new ATOM 0 HB2 LEU A 42 10.978 -9.866 3.221 1.00 0.00 H new ATOM 0 HB3 LEU A 42 9.967 -11.246 2.842 1.00 0.00 H new ATOM 0 HG LEU A 42 10.220 -10.031 5.606 1.00 0.00 H new ATOM 0 HD11 LEU A 42 8.007 -9.040 5.198 1.00 0.00 H new ATOM 0 HD12 LEU A 42 9.240 -8.406 4.083 1.00 0.00 H new ATOM 0 HD13 LEU A 42 8.065 -9.615 3.514 1.00 0.00 H new ATOM 0 HD21 LEU A 42 8.203 -11.344 6.110 1.00 0.00 H new ATOM 0 HD22 LEU A 42 8.274 -12.069 4.486 1.00 0.00 H new ATOM 0 HD23 LEU A 42 9.579 -12.378 5.656 1.00 0.00 H new ATOM 671 N LYS A 43 12.987 -10.985 2.085 1.00 0.00 N ATOM 672 CA LYS A 43 13.865 -11.131 0.937 1.00 0.00 C ATOM 673 C LYS A 43 13.114 -11.849 -0.186 1.00 0.00 C ATOM 674 O LYS A 43 12.638 -12.968 -0.002 1.00 0.00 O ATOM 675 CB LYS A 43 15.169 -11.819 1.343 1.00 0.00 C ATOM 676 CG LYS A 43 16.300 -10.801 1.503 1.00 0.00 C ATOM 677 CD LYS A 43 17.666 -11.466 1.319 1.00 0.00 C ATOM 678 CE LYS A 43 18.112 -11.408 -0.143 1.00 0.00 C ATOM 679 NZ LYS A 43 17.696 -12.634 -0.860 1.00 0.00 N ATOM 0 H LYS A 43 12.678 -10.030 2.267 1.00 0.00 H new ATOM 0 HA LYS A 43 14.155 -10.153 0.553 1.00 0.00 H new ATOM 0 HB2 LYS A 43 15.024 -12.357 2.280 1.00 0.00 H new ATOM 0 HB3 LYS A 43 15.444 -12.558 0.590 1.00 0.00 H new ATOM 0 HG2 LYS A 43 16.180 -10.001 0.773 1.00 0.00 H new ATOM 0 HG3 LYS A 43 16.245 -10.343 2.490 1.00 0.00 H new ATOM 0 HD2 LYS A 43 18.404 -10.969 1.948 1.00 0.00 H new ATOM 0 HD3 LYS A 43 17.616 -12.504 1.647 1.00 0.00 H new ATOM 0 HE2 LYS A 43 17.680 -10.532 -0.627 1.00 0.00 H new ATOM 0 HE3 LYS A 43 19.195 -11.299 -0.195 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 18.305 -12.774 -1.691 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 17.783 -13.453 -0.226 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 16.707 -12.538 -1.168 1.00 0.00 H new ATOM 693 N HIS A 44 13.032 -11.177 -1.325 1.00 0.00 N ATOM 694 CA HIS A 44 12.347 -11.737 -2.477 1.00 0.00 C ATOM 695 C HIS A 44 13.288 -11.735 -3.684 1.00 0.00 C ATOM 696 O HIS A 44 13.833 -12.775 -4.052 1.00 0.00 O ATOM 697 CB HIS A 44 11.037 -10.993 -2.745 1.00 0.00 C ATOM 698 CG HIS A 44 9.860 -11.900 -3.014 1.00 0.00 C ATOM 699 ND1 HIS A 44 9.447 -12.876 -2.123 1.00 0.00 N ATOM 700 CD2 HIS A 44 9.012 -11.969 -4.080 1.00 0.00 C ATOM 701 CE1 HIS A 44 8.398 -13.498 -2.641 1.00 0.00 C ATOM 702 NE2 HIS A 44 8.130 -12.935 -3.854 1.00 0.00 N ATOM 0 H HIS A 44 13.429 -10.249 -1.474 1.00 0.00 H new ATOM 0 HA HIS A 44 12.074 -12.773 -2.275 1.00 0.00 H new ATOM 0 HB2 HIS A 44 10.807 -10.362 -1.887 1.00 0.00 H new ATOM 0 HB3 HIS A 44 11.175 -10.331 -3.600 1.00 0.00 H new ATOM 0 HD2 HIS A 44 9.051 -11.343 -4.959 1.00 0.00 H new ATOM 0 HE1 HIS A 44 7.851 -14.309 -2.183 1.00 0.00 H new ATOM 0 HE2 HIS A 44 7.376 -13.211 -4.484 1.00 0.00 H new ATOM 710 N ASP A 45 13.449 -10.556 -4.266 1.00 0.00 N ATOM 711 CA ASP A 45 14.314 -10.405 -5.424 1.00 0.00 C ATOM 712 C ASP A 45 14.737 -8.940 -5.552 1.00 0.00 C ATOM 713 O ASP A 45 14.184 -8.070 -4.881 1.00 0.00 O ATOM 714 CB ASP A 45 13.587 -10.801 -6.710 1.00 0.00 C ATOM 715 CG ASP A 45 14.318 -11.829 -7.576 1.00 0.00 C ATOM 716 OD1 ASP A 45 14.610 -12.919 -7.039 1.00 0.00 O ATOM 717 OD2 ASP A 45 14.569 -11.502 -8.756 1.00 0.00 O ATOM 0 H ASP A 45 12.995 -9.696 -3.958 1.00 0.00 H new ATOM 0 HA ASP A 45 15.179 -11.053 -5.285 1.00 0.00 H new ATOM 0 HB2 ASP A 45 12.607 -11.200 -6.447 1.00 0.00 H new ATOM 0 HB3 ASP A 45 13.416 -9.903 -7.304 1.00 0.00 H new ATOM 722 N LEU A 46 15.713 -8.713 -6.418 1.00 0.00 N ATOM 723 CA LEU A 46 16.216 -7.369 -6.643 1.00 0.00 C ATOM 724 C LEU A 46 15.049 -6.443 -6.989 1.00 0.00 C ATOM 725 O LEU A 46 14.728 -5.531 -6.228 1.00 0.00 O ATOM 726 CB LEU A 46 17.325 -7.380 -7.697 1.00 0.00 C ATOM 727 CG LEU A 46 18.517 -6.460 -7.427 1.00 0.00 C ATOM 728 CD1 LEU A 46 19.653 -7.222 -6.740 1.00 0.00 C ATOM 729 CD2 LEU A 46 18.983 -5.774 -8.712 1.00 0.00 C ATOM 0 H LEU A 46 16.169 -9.437 -6.973 1.00 0.00 H new ATOM 0 HA LEU A 46 16.675 -6.978 -5.735 1.00 0.00 H new ATOM 0 HB2 LEU A 46 17.695 -8.401 -7.796 1.00 0.00 H new ATOM 0 HB3 LEU A 46 16.889 -7.104 -8.657 1.00 0.00 H new ATOM 0 HG LEU A 46 18.194 -5.676 -6.742 1.00 0.00 H new ATOM 0 HD11 LEU A 46 20.488 -6.545 -6.559 1.00 0.00 H new ATOM 0 HD12 LEU A 46 19.300 -7.624 -5.790 1.00 0.00 H new ATOM 0 HD13 LEU A 46 19.981 -8.041 -7.380 1.00 0.00 H new ATOM 0 HD21 LEU A 46 19.831 -5.126 -8.491 1.00 0.00 H new ATOM 0 HD22 LEU A 46 19.282 -6.529 -9.439 1.00 0.00 H new ATOM 0 HD23 LEU A 46 18.168 -5.178 -9.122 1.00 0.00 H new ATOM 741 N GLY A 47 14.445 -6.709 -8.138 1.00 0.00 N ATOM 742 CA GLY A 47 13.319 -5.911 -8.594 1.00 0.00 C ATOM 743 C GLY A 47 12.398 -5.545 -7.429 1.00 0.00 C ATOM 744 O GLY A 47 12.482 -4.442 -6.889 1.00 0.00 O ATOM 0 H GLY A 47 14.714 -7.466 -8.767 1.00 0.00 H new ATOM 0 HA2 GLY A 47 13.683 -5.002 -9.073 1.00 0.00 H new ATOM 0 HA3 GLY A 47 12.757 -6.465 -9.346 1.00 0.00 H new ATOM 748 N ASP A 48 11.541 -6.490 -7.074 1.00 0.00 N ATOM 749 CA ASP A 48 10.605 -6.281 -5.983 1.00 0.00 C ATOM 750 C ASP A 48 11.281 -5.450 -4.890 1.00 0.00 C ATOM 751 O ASP A 48 12.470 -5.617 -4.625 1.00 0.00 O ATOM 752 CB ASP A 48 10.172 -7.612 -5.365 1.00 0.00 C ATOM 753 CG ASP A 48 9.927 -8.741 -6.368 1.00 0.00 C ATOM 754 OD1 ASP A 48 10.746 -8.855 -7.305 1.00 0.00 O ATOM 755 OD2 ASP A 48 8.925 -9.463 -6.175 1.00 0.00 O ATOM 0 H ASP A 48 11.475 -7.403 -7.523 1.00 0.00 H new ATOM 0 HA ASP A 48 9.730 -5.768 -6.383 1.00 0.00 H new ATOM 0 HB2 ASP A 48 10.937 -7.934 -4.659 1.00 0.00 H new ATOM 0 HB3 ASP A 48 9.258 -7.450 -4.793 1.00 0.00 H new ATOM 760 N PHE A 49 10.493 -4.573 -4.285 1.00 0.00 N ATOM 761 CA PHE A 49 11.000 -3.716 -3.227 1.00 0.00 C ATOM 762 C PHE A 49 10.043 -3.694 -2.033 1.00 0.00 C ATOM 763 O PHE A 49 8.887 -4.098 -2.151 1.00 0.00 O ATOM 764 CB PHE A 49 11.105 -2.304 -3.807 1.00 0.00 C ATOM 765 CG PHE A 49 10.038 -1.981 -4.854 1.00 0.00 C ATOM 766 CD1 PHE A 49 8.769 -1.686 -4.463 1.00 0.00 C ATOM 767 CD2 PHE A 49 10.358 -1.987 -6.176 1.00 0.00 C ATOM 768 CE1 PHE A 49 7.778 -1.385 -5.435 1.00 0.00 C ATOM 769 CE2 PHE A 49 9.367 -1.687 -7.148 1.00 0.00 C ATOM 770 CZ PHE A 49 8.098 -1.392 -6.757 1.00 0.00 C ATOM 0 H PHE A 49 9.507 -4.438 -4.508 1.00 0.00 H new ATOM 0 HA PHE A 49 11.964 -4.086 -2.879 1.00 0.00 H new ATOM 0 HB2 PHE A 49 11.032 -1.582 -2.994 1.00 0.00 H new ATOM 0 HB3 PHE A 49 12.090 -2.179 -4.257 1.00 0.00 H new ATOM 0 HD1 PHE A 49 8.515 -1.681 -3.413 1.00 0.00 H new ATOM 0 HD2 PHE A 49 11.366 -2.220 -6.487 1.00 0.00 H new ATOM 0 HE1 PHE A 49 6.771 -1.151 -5.124 1.00 0.00 H new ATOM 0 HE2 PHE A 49 9.621 -1.693 -8.198 1.00 0.00 H new ATOM 0 HZ PHE A 49 7.345 -1.163 -7.496 1.00 0.00 H new ATOM 780 N PRO A 50 10.574 -3.207 -0.880 1.00 0.00 N ATOM 781 CA PRO A 50 9.781 -3.127 0.335 1.00 0.00 C ATOM 782 C PRO A 50 8.784 -1.968 0.263 1.00 0.00 C ATOM 783 O PRO A 50 9.176 -0.819 0.067 1.00 0.00 O ATOM 784 CB PRO A 50 10.794 -2.970 1.457 1.00 0.00 C ATOM 785 CG PRO A 50 12.080 -2.503 0.795 1.00 0.00 C ATOM 786 CD PRO A 50 11.939 -2.720 -0.702 1.00 0.00 C ATOM 0 HA PRO A 50 9.165 -4.012 0.494 1.00 0.00 H new ATOM 0 HB2 PRO A 50 10.450 -2.246 2.196 1.00 0.00 H new ATOM 0 HB3 PRO A 50 10.945 -3.913 1.982 1.00 0.00 H new ATOM 0 HG2 PRO A 50 12.261 -1.450 1.013 1.00 0.00 H new ATOM 0 HG3 PRO A 50 12.933 -3.060 1.183 1.00 0.00 H new ATOM 0 HD2 PRO A 50 12.104 -1.794 -1.253 1.00 0.00 H new ATOM 0 HD3 PRO A 50 12.668 -3.443 -1.068 1.00 0.00 H new ATOM 794 N VAL A 51 7.515 -2.311 0.426 1.00 0.00 N ATOM 795 CA VAL A 51 6.459 -1.314 0.382 1.00 0.00 C ATOM 796 C VAL A 51 5.621 -1.408 1.660 1.00 0.00 C ATOM 797 O VAL A 51 5.510 -2.478 2.256 1.00 0.00 O ATOM 798 CB VAL A 51 5.628 -1.487 -0.891 1.00 0.00 C ATOM 799 CG1 VAL A 51 6.516 -1.438 -2.136 1.00 0.00 C ATOM 800 CG2 VAL A 51 4.819 -2.785 -0.846 1.00 0.00 C ATOM 0 H VAL A 51 7.194 -3.265 0.589 1.00 0.00 H new ATOM 0 HA VAL A 51 6.883 -0.311 0.344 1.00 0.00 H new ATOM 0 HB VAL A 51 4.925 -0.656 -0.947 1.00 0.00 H new ATOM 0 HG11 VAL A 51 5.901 -1.563 -3.027 1.00 0.00 H new ATOM 0 HG12 VAL A 51 7.027 -0.476 -2.181 1.00 0.00 H new ATOM 0 HG13 VAL A 51 7.253 -2.239 -2.089 1.00 0.00 H new ATOM 0 HG21 VAL A 51 4.237 -2.883 -1.763 1.00 0.00 H new ATOM 0 HG22 VAL A 51 5.497 -3.633 -0.754 1.00 0.00 H new ATOM 0 HG23 VAL A 51 4.145 -2.764 0.011 1.00 0.00 H new ATOM 810 N PHE A 52 5.055 -0.273 2.042 1.00 0.00 N ATOM 811 CA PHE A 52 4.231 -0.214 3.238 1.00 0.00 C ATOM 812 C PHE A 52 2.750 -0.080 2.877 1.00 0.00 C ATOM 813 O PHE A 52 2.362 0.847 2.168 1.00 0.00 O ATOM 814 CB PHE A 52 4.667 1.026 4.021 1.00 0.00 C ATOM 815 CG PHE A 52 3.817 1.311 5.260 1.00 0.00 C ATOM 816 CD1 PHE A 52 3.737 0.389 6.257 1.00 0.00 C ATOM 817 CD2 PHE A 52 3.139 2.486 5.364 1.00 0.00 C ATOM 818 CE1 PHE A 52 2.948 0.654 7.407 1.00 0.00 C ATOM 819 CE2 PHE A 52 2.350 2.750 6.515 1.00 0.00 C ATOM 820 CZ PHE A 52 2.271 1.829 7.512 1.00 0.00 C ATOM 0 H PHE A 52 5.150 0.613 1.545 1.00 0.00 H new ATOM 0 HA PHE A 52 4.354 -1.127 3.820 1.00 0.00 H new ATOM 0 HB2 PHE A 52 5.706 0.903 4.326 1.00 0.00 H new ATOM 0 HB3 PHE A 52 4.629 1.892 3.360 1.00 0.00 H new ATOM 0 HD1 PHE A 52 4.274 -0.545 6.174 1.00 0.00 H new ATOM 0 HD2 PHE A 52 3.201 3.217 4.572 1.00 0.00 H new ATOM 0 HE1 PHE A 52 2.885 -0.078 8.199 1.00 0.00 H new ATOM 0 HE2 PHE A 52 1.812 3.683 6.598 1.00 0.00 H new ATOM 0 HZ PHE A 52 1.671 2.030 8.387 1.00 0.00 H new ATOM 830 N PHE A 53 1.964 -1.019 3.382 1.00 0.00 N ATOM 831 CA PHE A 53 0.534 -1.017 3.122 1.00 0.00 C ATOM 832 C PHE A 53 -0.213 -0.188 4.169 1.00 0.00 C ATOM 833 O PHE A 53 -0.122 -0.463 5.364 1.00 0.00 O ATOM 834 CB PHE A 53 0.062 -2.470 3.208 1.00 0.00 C ATOM 835 CG PHE A 53 0.341 -3.291 1.947 1.00 0.00 C ATOM 836 CD1 PHE A 53 1.575 -3.264 1.378 1.00 0.00 C ATOM 837 CD2 PHE A 53 -0.647 -4.047 1.396 1.00 0.00 C ATOM 838 CE1 PHE A 53 1.834 -4.026 0.207 1.00 0.00 C ATOM 839 CE2 PHE A 53 -0.388 -4.808 0.226 1.00 0.00 C ATOM 840 CZ PHE A 53 0.847 -4.782 -0.344 1.00 0.00 C ATOM 0 H PHE A 53 2.290 -1.786 3.970 1.00 0.00 H new ATOM 0 HA PHE A 53 0.335 -0.581 2.143 1.00 0.00 H new ATOM 0 HB2 PHE A 53 0.549 -2.950 4.057 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -1.010 -2.482 3.407 1.00 0.00 H new ATOM 0 HD1 PHE A 53 2.359 -2.663 1.816 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -1.627 -4.068 1.848 1.00 0.00 H new ATOM 0 HE1 PHE A 53 2.814 -4.005 -0.245 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -1.172 -5.408 -0.212 1.00 0.00 H new ATOM 0 HZ PHE A 53 1.044 -5.362 -1.234 1.00 0.00 H new ATOM 850 N PHE A 54 -0.934 0.810 3.682 1.00 0.00 N ATOM 851 CA PHE A 54 -1.696 1.681 4.560 1.00 0.00 C ATOM 852 C PHE A 54 -2.894 0.943 5.161 1.00 0.00 C ATOM 853 O PHE A 54 -3.241 -0.150 4.715 1.00 0.00 O ATOM 854 CB PHE A 54 -2.206 2.844 3.706 1.00 0.00 C ATOM 855 CG PHE A 54 -1.105 3.587 2.946 1.00 0.00 C ATOM 856 CD1 PHE A 54 0.024 3.979 3.596 1.00 0.00 C ATOM 857 CD2 PHE A 54 -1.255 3.855 1.622 1.00 0.00 C ATOM 858 CE1 PHE A 54 1.046 4.669 2.891 1.00 0.00 C ATOM 859 CE2 PHE A 54 -0.233 4.545 0.917 1.00 0.00 C ATOM 860 CZ PHE A 54 0.896 4.937 1.567 1.00 0.00 C ATOM 0 H PHE A 54 -1.007 1.035 2.690 1.00 0.00 H new ATOM 0 HA PHE A 54 -1.065 2.024 5.380 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -2.934 2.464 2.990 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -2.730 3.551 4.349 1.00 0.00 H new ATOM 0 HD1 PHE A 54 0.143 3.766 4.648 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -2.151 3.543 1.106 1.00 0.00 H new ATOM 0 HE1 PHE A 54 1.942 4.981 3.407 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -0.352 4.758 -0.135 1.00 0.00 H new ATOM 0 HZ PHE A 54 1.673 5.461 1.031 1.00 0.00 H new ATOM 870 N GLY A 55 -3.492 1.569 6.163 1.00 0.00 N ATOM 871 CA GLY A 55 -4.644 0.984 6.830 1.00 0.00 C ATOM 872 C GLY A 55 -4.230 -0.207 7.696 1.00 0.00 C ATOM 873 O GLY A 55 -4.461 -0.211 8.904 1.00 0.00 O ATOM 0 H GLY A 55 -3.201 2.475 6.530 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -5.131 1.737 7.450 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -5.374 0.662 6.087 1.00 0.00 H new ATOM 877 N SER A 56 -3.625 -1.190 7.044 1.00 0.00 N ATOM 878 CA SER A 56 -3.177 -2.384 7.740 1.00 0.00 C ATOM 879 C SER A 56 -1.824 -2.125 8.407 1.00 0.00 C ATOM 880 O SER A 56 -1.638 -2.436 9.582 1.00 0.00 O ATOM 881 CB SER A 56 -3.077 -3.574 6.783 1.00 0.00 C ATOM 882 OG SER A 56 -2.054 -3.391 5.808 1.00 0.00 O ATOM 0 H SER A 56 -3.435 -1.184 6.042 1.00 0.00 H new ATOM 0 HA SER A 56 -3.912 -2.629 8.507 1.00 0.00 H new ATOM 0 HB2 SER A 56 -2.877 -4.481 7.353 1.00 0.00 H new ATOM 0 HB3 SER A 56 -4.034 -3.717 6.282 1.00 0.00 H new ATOM 0 HG SER A 56 -1.379 -4.095 5.906 1.00 0.00 H new ATOM 888 N HIS A 57 -0.915 -1.558 7.627 1.00 0.00 N ATOM 889 CA HIS A 57 0.414 -1.253 8.128 1.00 0.00 C ATOM 890 C HIS A 57 1.260 -2.528 8.147 1.00 0.00 C ATOM 891 O HIS A 57 1.619 -3.023 9.214 1.00 0.00 O ATOM 892 CB HIS A 57 0.337 -0.572 9.496 1.00 0.00 C ATOM 893 CG HIS A 57 -0.718 0.504 9.587 1.00 0.00 C ATOM 894 ND1 HIS A 57 -1.333 0.852 10.777 1.00 0.00 N ATOM 895 CD2 HIS A 57 -1.259 1.306 8.625 1.00 0.00 C ATOM 896 CE1 HIS A 57 -2.203 1.820 10.531 1.00 0.00 C ATOM 897 NE2 HIS A 57 -2.156 2.100 9.197 1.00 0.00 N ATOM 0 H HIS A 57 -1.073 -1.302 6.652 1.00 0.00 H new ATOM 0 HA HIS A 57 0.903 -0.543 7.461 1.00 0.00 H new ATOM 0 HB2 HIS A 57 0.137 -1.328 10.256 1.00 0.00 H new ATOM 0 HB3 HIS A 57 1.308 -0.135 9.728 1.00 0.00 H new ATOM 0 HD2 HIS A 57 -1.001 1.297 7.576 1.00 0.00 H new ATOM 0 HE1 HIS A 57 -2.838 2.303 11.259 1.00 0.00 H new ATOM 0 HE2 HIS A 57 -2.718 2.804 8.718 1.00 0.00 H new ATOM 905 N ASP A 58 1.553 -3.023 6.954 1.00 0.00 N ATOM 906 CA ASP A 58 2.350 -4.231 6.820 1.00 0.00 C ATOM 907 C ASP A 58 3.264 -4.101 5.600 1.00 0.00 C ATOM 908 O ASP A 58 2.856 -3.572 4.567 1.00 0.00 O ATOM 909 CB ASP A 58 1.460 -5.458 6.615 1.00 0.00 C ATOM 910 CG ASP A 58 0.190 -5.485 7.468 1.00 0.00 C ATOM 911 OD1 ASP A 58 -0.590 -4.515 7.356 1.00 0.00 O ATOM 912 OD2 ASP A 58 0.027 -6.476 8.213 1.00 0.00 O ATOM 0 H ASP A 58 1.253 -2.610 6.071 1.00 0.00 H new ATOM 0 HA ASP A 58 2.930 -4.355 7.734 1.00 0.00 H new ATOM 0 HB2 ASP A 58 1.175 -5.510 5.564 1.00 0.00 H new ATOM 0 HB3 ASP A 58 2.044 -6.352 6.832 1.00 0.00 H new ATOM 917 N TYR A 59 4.484 -4.593 5.759 1.00 0.00 N ATOM 918 CA TYR A 59 5.459 -4.539 4.683 1.00 0.00 C ATOM 919 C TYR A 59 5.484 -5.853 3.899 1.00 0.00 C ATOM 920 O TYR A 59 5.256 -6.921 4.464 1.00 0.00 O ATOM 921 CB TYR A 59 6.818 -4.334 5.356 1.00 0.00 C ATOM 922 CG TYR A 59 6.869 -3.132 6.301 1.00 0.00 C ATOM 923 CD1 TYR A 59 6.883 -1.851 5.788 1.00 0.00 C ATOM 924 CD2 TYR A 59 6.902 -3.329 7.666 1.00 0.00 C ATOM 925 CE1 TYR A 59 6.932 -0.720 6.677 1.00 0.00 C ATOM 926 CE2 TYR A 59 6.950 -2.198 8.556 1.00 0.00 C ATOM 927 CZ TYR A 59 6.963 -0.949 8.018 1.00 0.00 C ATOM 928 OH TYR A 59 7.009 0.120 8.858 1.00 0.00 O ATOM 0 H TYR A 59 4.820 -5.031 6.617 1.00 0.00 H new ATOM 0 HA TYR A 59 5.214 -3.740 3.983 1.00 0.00 H new ATOM 0 HB2 TYR A 59 7.075 -5.234 5.915 1.00 0.00 H new ATOM 0 HB3 TYR A 59 7.579 -4.210 4.585 1.00 0.00 H new ATOM 0 HD1 TYR A 59 6.857 -1.697 4.719 1.00 0.00 H new ATOM 0 HD2 TYR A 59 6.892 -4.332 8.067 1.00 0.00 H new ATOM 0 HE1 TYR A 59 6.944 0.288 6.288 1.00 0.00 H new ATOM 0 HE2 TYR A 59 6.975 -2.338 9.627 1.00 0.00 H new ATOM 0 HH TYR A 59 7.026 -0.194 9.786 1.00 0.00 H new ATOM 938 N TYR A 60 5.764 -5.730 2.610 1.00 0.00 N ATOM 939 CA TYR A 60 5.822 -6.895 1.743 1.00 0.00 C ATOM 940 C TYR A 60 6.749 -6.645 0.551 1.00 0.00 C ATOM 941 O TYR A 60 7.110 -5.504 0.269 1.00 0.00 O ATOM 942 CB TYR A 60 4.397 -7.110 1.229 1.00 0.00 C ATOM 943 CG TYR A 60 3.371 -7.373 2.333 1.00 0.00 C ATOM 944 CD1 TYR A 60 3.519 -8.464 3.166 1.00 0.00 C ATOM 945 CD2 TYR A 60 2.298 -6.521 2.496 1.00 0.00 C ATOM 946 CE1 TYR A 60 2.553 -8.712 4.206 1.00 0.00 C ATOM 947 CE2 TYR A 60 1.333 -6.769 3.535 1.00 0.00 C ATOM 948 CZ TYR A 60 1.508 -7.852 4.338 1.00 0.00 C ATOM 949 OH TYR A 60 0.596 -8.087 5.320 1.00 0.00 O ATOM 0 H TYR A 60 5.953 -4.842 2.145 1.00 0.00 H new ATOM 0 HA TYR A 60 6.205 -7.759 2.286 1.00 0.00 H new ATOM 0 HB2 TYR A 60 4.089 -6.231 0.663 1.00 0.00 H new ATOM 0 HB3 TYR A 60 4.394 -7.952 0.537 1.00 0.00 H new ATOM 0 HD1 TYR A 60 4.358 -9.131 3.038 1.00 0.00 H new ATOM 0 HD2 TYR A 60 2.182 -5.668 1.844 1.00 0.00 H new ATOM 0 HE1 TYR A 60 2.657 -9.561 4.865 1.00 0.00 H new ATOM 0 HE2 TYR A 60 0.489 -6.110 3.673 1.00 0.00 H new ATOM 0 HH TYR A 60 -0.095 -7.392 5.298 1.00 0.00 H new ATOM 959 N TRP A 61 7.107 -7.732 -0.117 1.00 0.00 N ATOM 960 CA TRP A 61 7.985 -7.645 -1.271 1.00 0.00 C ATOM 961 C TRP A 61 7.179 -8.047 -2.509 1.00 0.00 C ATOM 962 O TRP A 61 6.572 -9.117 -2.538 1.00 0.00 O ATOM 963 CB TRP A 61 9.239 -8.498 -1.072 1.00 0.00 C ATOM 964 CG TRP A 61 10.097 -8.074 0.122 1.00 0.00 C ATOM 965 CD1 TRP A 61 9.924 -8.385 1.414 1.00 0.00 C ATOM 966 CD2 TRP A 61 11.276 -7.243 0.081 1.00 0.00 C ATOM 967 NE1 TRP A 61 10.902 -7.818 2.206 1.00 0.00 N ATOM 968 CE2 TRP A 61 11.750 -7.101 1.370 1.00 0.00 C ATOM 969 CE3 TRP A 61 11.921 -6.631 -1.008 1.00 0.00 C ATOM 970 CZ2 TRP A 61 12.888 -6.352 1.690 1.00 0.00 C ATOM 971 CZ3 TRP A 61 13.057 -5.885 -0.671 1.00 0.00 C ATOM 972 CH2 TRP A 61 13.547 -5.733 0.620 1.00 0.00 C ATOM 0 H TRP A 61 6.805 -8.677 0.119 1.00 0.00 H new ATOM 0 HA TRP A 61 8.345 -6.625 -1.405 1.00 0.00 H new ATOM 0 HB2 TRP A 61 8.941 -9.538 -0.941 1.00 0.00 H new ATOM 0 HB3 TRP A 61 9.845 -8.451 -1.977 1.00 0.00 H new ATOM 0 HD1 TRP A 61 9.120 -9.002 1.788 1.00 0.00 H new ATOM 0 HE1 TRP A 61 10.987 -7.908 3.218 1.00 0.00 H new ATOM 0 HE3 TRP A 61 11.568 -6.729 -2.024 1.00 0.00 H new ATOM 0 HZ2 TRP A 61 13.239 -6.256 2.707 1.00 0.00 H new ATOM 0 HZ3 TRP A 61 13.590 -5.393 -1.471 1.00 0.00 H new ATOM 0 HH2 TRP A 61 14.432 -5.140 0.798 1.00 0.00 H new ATOM 983 N VAL A 62 7.199 -7.168 -3.500 1.00 0.00 N ATOM 984 CA VAL A 62 6.478 -7.418 -4.736 1.00 0.00 C ATOM 985 C VAL A 62 7.249 -6.800 -5.905 1.00 0.00 C ATOM 986 O VAL A 62 7.656 -5.641 -5.841 1.00 0.00 O ATOM 987 CB VAL A 62 5.045 -6.895 -4.622 1.00 0.00 C ATOM 988 CG1 VAL A 62 4.268 -7.655 -3.545 1.00 0.00 C ATOM 989 CG2 VAL A 62 5.032 -5.389 -4.347 1.00 0.00 C ATOM 0 H VAL A 62 7.703 -6.282 -3.472 1.00 0.00 H new ATOM 0 HA VAL A 62 6.404 -8.489 -4.925 1.00 0.00 H new ATOM 0 HB VAL A 62 4.549 -7.066 -5.577 1.00 0.00 H new ATOM 0 HG11 VAL A 62 3.253 -7.264 -3.484 1.00 0.00 H new ATOM 0 HG12 VAL A 62 4.234 -8.714 -3.800 1.00 0.00 H new ATOM 0 HG13 VAL A 62 4.763 -7.529 -2.582 1.00 0.00 H new ATOM 0 HG21 VAL A 62 4.002 -5.042 -4.270 1.00 0.00 H new ATOM 0 HG22 VAL A 62 5.554 -5.185 -3.412 1.00 0.00 H new ATOM 0 HG23 VAL A 62 5.531 -4.866 -5.163 1.00 0.00 H new ATOM 999 N HIS A 63 7.426 -7.601 -6.945 1.00 0.00 N ATOM 1000 CA HIS A 63 8.140 -7.147 -8.126 1.00 0.00 C ATOM 1001 C HIS A 63 7.550 -5.818 -8.604 1.00 0.00 C ATOM 1002 O HIS A 63 6.649 -5.272 -7.970 1.00 0.00 O ATOM 1003 CB HIS A 63 8.132 -8.223 -9.214 1.00 0.00 C ATOM 1004 CG HIS A 63 9.503 -8.579 -9.736 1.00 0.00 C ATOM 1005 ND1 HIS A 63 10.674 -7.879 -9.715 1.00 0.00 N flip ATOM 1006 CD2 HIS A 63 9.777 -9.779 -10.368 1.00 0.00 C flip ATOM 1007 CE1 HIS A 63 11.612 -8.613 -10.300 1.00 0.00 C flip ATOM 1008 NE2 HIS A 63 11.058 -9.791 -10.706 1.00 0.00 N flip ATOM 0 H HIS A 63 7.087 -8.562 -6.994 1.00 0.00 H new ATOM 0 HA HIS A 63 9.187 -6.972 -7.876 1.00 0.00 H new ATOM 0 HB2 HIS A 63 7.661 -9.122 -8.818 1.00 0.00 H new ATOM 0 HB3 HIS A 63 7.516 -7.880 -10.045 1.00 0.00 H new ATOM 0 HD2 HIS A 63 9.067 -10.571 -10.554 1.00 0.00 H new ATOM 0 HE1 HIS A 63 12.644 -8.325 -10.433 1.00 0.00 H new ATOM 0 HE2 HIS A 63 11.544 -10.548 -11.186 1.00 0.00 H new ATOM 1016 N GLN A 64 8.084 -5.337 -9.717 1.00 0.00 N ATOM 1017 CA GLN A 64 7.622 -4.082 -10.286 1.00 0.00 C ATOM 1018 C GLN A 64 6.794 -4.344 -11.546 1.00 0.00 C ATOM 1019 O GLN A 64 6.991 -5.351 -12.224 1.00 0.00 O ATOM 1020 CB GLN A 64 8.798 -3.150 -10.587 1.00 0.00 C ATOM 1021 CG GLN A 64 9.672 -3.715 -11.708 1.00 0.00 C ATOM 1022 CD GLN A 64 10.359 -2.591 -12.487 1.00 0.00 C ATOM 1023 OE1 GLN A 64 9.880 -1.472 -12.564 1.00 0.00 O ATOM 1024 NE2 GLN A 64 11.505 -2.951 -13.058 1.00 0.00 N ATOM 0 H GLN A 64 8.832 -5.793 -10.240 1.00 0.00 H new ATOM 0 HA GLN A 64 6.986 -3.585 -9.553 1.00 0.00 H new ATOM 0 HB2 GLN A 64 8.424 -2.167 -10.873 1.00 0.00 H new ATOM 0 HB3 GLN A 64 9.398 -3.013 -9.687 1.00 0.00 H new ATOM 0 HG2 GLN A 64 10.424 -4.382 -11.287 1.00 0.00 H new ATOM 0 HG3 GLN A 64 9.061 -4.311 -12.386 1.00 0.00 H new ATOM 0 HE21 GLN A 64 11.849 -3.906 -12.954 1.00 0.00 H new ATOM 0 HE22 GLN A 64 12.040 -2.273 -13.600 1.00 0.00 H new ATOM 1033 N GLY A 65 5.885 -3.420 -11.821 1.00 0.00 N ATOM 1034 CA GLY A 65 5.026 -3.539 -12.987 1.00 0.00 C ATOM 1035 C GLY A 65 3.605 -3.936 -12.584 1.00 0.00 C ATOM 1036 O GLY A 65 2.724 -4.053 -13.434 1.00 0.00 O ATOM 0 H GLY A 65 5.725 -2.586 -11.256 1.00 0.00 H new ATOM 0 HA2 GLY A 65 5.004 -2.591 -13.525 1.00 0.00 H new ATOM 0 HA3 GLY A 65 5.435 -4.283 -13.670 1.00 0.00 H new ATOM 1040 N ARG A 66 3.426 -4.133 -11.286 1.00 0.00 N ATOM 1041 CA ARG A 66 2.127 -4.515 -10.759 1.00 0.00 C ATOM 1042 C ARG A 66 1.502 -3.349 -9.990 1.00 0.00 C ATOM 1043 O ARG A 66 0.305 -3.357 -9.707 1.00 0.00 O ATOM 1044 CB ARG A 66 2.243 -5.725 -9.831 1.00 0.00 C ATOM 1045 CG ARG A 66 2.328 -7.025 -10.634 1.00 0.00 C ATOM 1046 CD ARG A 66 1.666 -8.180 -9.880 1.00 0.00 C ATOM 1047 NE ARG A 66 0.608 -8.790 -10.715 1.00 0.00 N ATOM 1048 CZ ARG A 66 -0.188 -9.789 -10.309 1.00 0.00 C ATOM 1049 NH1 ARG A 66 -0.050 -10.297 -9.077 1.00 0.00 N ATOM 1050 NH2 ARG A 66 -1.121 -10.281 -11.136 1.00 0.00 N ATOM 0 H ARG A 66 4.159 -4.035 -10.584 1.00 0.00 H new ATOM 0 HA ARG A 66 1.491 -4.780 -11.604 1.00 0.00 H new ATOM 0 HB2 ARG A 66 3.128 -5.623 -9.203 1.00 0.00 H new ATOM 0 HB3 ARG A 66 1.381 -5.761 -9.164 1.00 0.00 H new ATOM 0 HG2 ARG A 66 1.843 -6.892 -11.601 1.00 0.00 H new ATOM 0 HG3 ARG A 66 3.372 -7.267 -10.832 1.00 0.00 H new ATOM 0 HD2 ARG A 66 2.413 -8.930 -9.619 1.00 0.00 H new ATOM 0 HD3 ARG A 66 1.239 -7.817 -8.945 1.00 0.00 H new ATOM 0 HE ARG A 66 0.476 -8.427 -11.659 1.00 0.00 H new ATOM 0 HH11 ARG A 66 0.661 -9.923 -8.448 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -0.656 -11.057 -8.768 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -1.225 -9.895 -12.074 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -1.727 -11.041 -10.827 1.00 0.00 H new ATOM 1064 N VAL A 67 2.342 -2.374 -9.672 1.00 0.00 N ATOM 1065 CA VAL A 67 1.887 -1.204 -8.940 1.00 0.00 C ATOM 1066 C VAL A 67 1.683 -0.045 -9.917 1.00 0.00 C ATOM 1067 O VAL A 67 2.405 0.073 -10.906 1.00 0.00 O ATOM 1068 CB VAL A 67 2.873 -0.873 -7.818 1.00 0.00 C ATOM 1069 CG1 VAL A 67 3.518 -2.145 -7.262 1.00 0.00 C ATOM 1070 CG2 VAL A 67 3.936 0.118 -8.296 1.00 0.00 C ATOM 0 H VAL A 67 3.334 -2.371 -9.908 1.00 0.00 H new ATOM 0 HA VAL A 67 0.927 -1.401 -8.463 1.00 0.00 H new ATOM 0 HB VAL A 67 2.315 -0.400 -7.010 1.00 0.00 H new ATOM 0 HG11 VAL A 67 4.214 -1.882 -6.466 1.00 0.00 H new ATOM 0 HG12 VAL A 67 2.744 -2.802 -6.865 1.00 0.00 H new ATOM 0 HG13 VAL A 67 4.055 -2.659 -8.059 1.00 0.00 H new ATOM 0 HG21 VAL A 67 4.624 0.336 -7.479 1.00 0.00 H new ATOM 0 HG22 VAL A 67 4.489 -0.315 -9.130 1.00 0.00 H new ATOM 0 HG23 VAL A 67 3.454 1.040 -8.620 1.00 0.00 H new ATOM 1080 N PHE A 68 0.696 0.783 -9.606 1.00 0.00 N ATOM 1081 CA PHE A 68 0.388 1.929 -10.445 1.00 0.00 C ATOM 1082 C PHE A 68 0.703 3.239 -9.720 1.00 0.00 C ATOM 1083 O PHE A 68 0.648 3.302 -8.493 1.00 0.00 O ATOM 1084 CB PHE A 68 -1.111 1.873 -10.745 1.00 0.00 C ATOM 1085 CG PHE A 68 -1.560 0.585 -11.438 1.00 0.00 C ATOM 1086 CD1 PHE A 68 -0.721 -0.051 -12.299 1.00 0.00 C ATOM 1087 CD2 PHE A 68 -2.797 0.076 -11.193 1.00 0.00 C ATOM 1088 CE1 PHE A 68 -1.138 -1.247 -12.942 1.00 0.00 C ATOM 1089 CE2 PHE A 68 -3.214 -1.119 -11.836 1.00 0.00 C ATOM 1090 CZ PHE A 68 -2.375 -1.756 -12.697 1.00 0.00 C ATOM 0 H PHE A 68 0.099 0.683 -8.785 1.00 0.00 H new ATOM 0 HA PHE A 68 0.986 1.896 -11.355 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -1.662 1.982 -9.811 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -1.377 2.723 -11.373 1.00 0.00 H new ATOM 0 HD1 PHE A 68 0.262 0.353 -12.494 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -3.463 0.581 -10.509 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -0.472 -1.752 -13.626 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -4.197 -1.522 -11.642 1.00 0.00 H new ATOM 0 HZ PHE A 68 -2.691 -2.666 -13.186 1.00 0.00 H new ATOM 1100 N PRO A 69 1.034 4.279 -10.531 1.00 0.00 N ATOM 1101 CA PRO A 69 1.357 5.584 -9.980 1.00 0.00 C ATOM 1102 C PRO A 69 0.095 6.309 -9.508 1.00 0.00 C ATOM 1103 O PRO A 69 -0.854 6.472 -10.274 1.00 0.00 O ATOM 1104 CB PRO A 69 2.079 6.316 -11.099 1.00 0.00 C ATOM 1105 CG PRO A 69 1.725 5.575 -12.378 1.00 0.00 C ATOM 1106 CD PRO A 69 1.109 4.241 -11.988 1.00 0.00 C ATOM 0 HA PRO A 69 1.986 5.521 -9.092 1.00 0.00 H new ATOM 0 HB2 PRO A 69 1.764 7.358 -11.151 1.00 0.00 H new ATOM 0 HB3 PRO A 69 3.156 6.317 -10.934 1.00 0.00 H new ATOM 0 HG2 PRO A 69 1.025 6.158 -12.976 1.00 0.00 H new ATOM 0 HG3 PRO A 69 2.615 5.421 -12.989 1.00 0.00 H new ATOM 0 HD2 PRO A 69 0.121 4.116 -12.432 1.00 0.00 H new ATOM 0 HD3 PRO A 69 1.721 3.407 -12.331 1.00 0.00 H new ATOM 1114 N TYR A 70 0.124 6.723 -8.250 1.00 0.00 N ATOM 1115 CA TYR A 70 -1.006 7.426 -7.667 1.00 0.00 C ATOM 1116 C TYR A 70 -1.032 8.889 -8.115 1.00 0.00 C ATOM 1117 O TYR A 70 -0.118 9.653 -7.806 1.00 0.00 O ATOM 1118 CB TYR A 70 -0.800 7.373 -6.152 1.00 0.00 C ATOM 1119 CG TYR A 70 -1.899 8.073 -5.350 1.00 0.00 C ATOM 1120 CD1 TYR A 70 -1.916 9.450 -5.259 1.00 0.00 C ATOM 1121 CD2 TYR A 70 -2.872 7.327 -4.717 1.00 0.00 C ATOM 1122 CE1 TYR A 70 -2.950 10.109 -4.504 1.00 0.00 C ATOM 1123 CE2 TYR A 70 -3.907 7.986 -3.962 1.00 0.00 C ATOM 1124 CZ TYR A 70 -3.894 9.344 -3.893 1.00 0.00 C ATOM 1125 OH TYR A 70 -4.871 9.967 -3.179 1.00 0.00 O ATOM 0 H TYR A 70 0.913 6.585 -7.618 1.00 0.00 H new ATOM 0 HA TYR A 70 -1.945 6.967 -7.978 1.00 0.00 H new ATOM 0 HB2 TYR A 70 -0.744 6.330 -5.839 1.00 0.00 H new ATOM 0 HB3 TYR A 70 0.159 7.830 -5.910 1.00 0.00 H new ATOM 0 HD1 TYR A 70 -1.154 10.033 -5.754 1.00 0.00 H new ATOM 0 HD2 TYR A 70 -2.858 6.249 -4.788 1.00 0.00 H new ATOM 0 HE1 TYR A 70 -2.975 11.186 -4.425 1.00 0.00 H new ATOM 0 HE2 TYR A 70 -4.675 7.415 -3.462 1.00 0.00 H new ATOM 0 HH TYR A 70 -5.476 9.297 -2.799 1.00 0.00 H new ATOM 1135 N VAL A 71 -2.088 9.236 -8.836 1.00 0.00 N ATOM 1136 CA VAL A 71 -2.245 10.593 -9.329 1.00 0.00 C ATOM 1137 C VAL A 71 -3.001 11.425 -8.290 1.00 0.00 C ATOM 1138 O VAL A 71 -3.766 10.883 -7.494 1.00 0.00 O ATOM 1139 CB VAL A 71 -2.931 10.577 -10.696 1.00 0.00 C ATOM 1140 CG1 VAL A 71 -3.140 11.999 -11.222 1.00 0.00 C ATOM 1141 CG2 VAL A 71 -2.139 9.734 -11.697 1.00 0.00 C ATOM 0 H VAL A 71 -2.844 8.600 -9.091 1.00 0.00 H new ATOM 0 HA VAL A 71 -1.272 11.061 -9.474 1.00 0.00 H new ATOM 0 HB VAL A 71 -3.912 10.118 -10.573 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -3.629 11.959 -12.195 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -3.765 12.557 -10.524 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -2.175 12.496 -11.322 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -2.648 9.739 -12.661 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -1.139 10.151 -11.813 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -2.065 8.710 -11.332 1.00 0.00 H new ATOM 1151 N GLU A 72 -2.759 12.727 -8.332 1.00 0.00 N ATOM 1152 CA GLU A 72 -3.408 13.638 -7.404 1.00 0.00 C ATOM 1153 C GLU A 72 -4.358 14.573 -8.156 1.00 0.00 C ATOM 1154 O GLU A 72 -4.345 15.783 -7.937 1.00 0.00 O ATOM 1155 CB GLU A 72 -2.374 14.434 -6.605 1.00 0.00 C ATOM 1156 CG GLU A 72 -2.879 14.723 -5.190 1.00 0.00 C ATOM 1157 CD GLU A 72 -2.878 16.226 -4.904 1.00 0.00 C ATOM 1158 OE1 GLU A 72 -1.991 16.909 -5.461 1.00 0.00 O ATOM 1159 OE2 GLU A 72 -3.763 16.658 -4.134 1.00 0.00 O ATOM 0 H GLU A 72 -2.123 13.173 -8.993 1.00 0.00 H new ATOM 0 HA GLU A 72 -3.992 13.050 -6.696 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -1.439 13.875 -6.554 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -2.157 15.372 -7.116 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -3.888 14.327 -5.072 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -2.249 14.210 -4.463 1.00 0.00 H new ATOM 1166 N GLY A 73 -5.160 13.975 -9.025 1.00 0.00 N ATOM 1167 CA GLY A 73 -6.115 14.739 -9.810 1.00 0.00 C ATOM 1168 C GLY A 73 -7.373 13.917 -10.095 1.00 0.00 C ATOM 1169 O GLY A 73 -8.469 14.285 -9.674 1.00 0.00 O ATOM 0 H GLY A 73 -5.168 12.971 -9.203 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -6.385 15.650 -9.275 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -5.656 15.046 -10.750 1.00 0.00 H new ATOM 1173 N ASP A 74 -7.173 12.817 -10.807 1.00 0.00 N ATOM 1174 CA ASP A 74 -8.278 11.939 -11.154 1.00 0.00 C ATOM 1175 C ASP A 74 -9.222 11.817 -9.956 1.00 0.00 C ATOM 1176 O ASP A 74 -8.962 11.047 -9.033 1.00 0.00 O ATOM 1177 CB ASP A 74 -7.778 10.537 -11.506 1.00 0.00 C ATOM 1178 CG ASP A 74 -8.831 9.607 -12.111 1.00 0.00 C ATOM 1179 OD1 ASP A 74 -9.897 9.467 -11.473 1.00 0.00 O ATOM 1180 OD2 ASP A 74 -8.548 9.058 -13.197 1.00 0.00 O ATOM 0 H ASP A 74 -6.263 12.514 -11.153 1.00 0.00 H new ATOM 0 HA ASP A 74 -8.790 12.366 -12.016 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -6.950 10.629 -12.209 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -7.380 10.072 -10.604 1.00 0.00 H new ATOM 1185 N LYS A 75 -10.298 12.589 -10.009 1.00 0.00 N ATOM 1186 CA LYS A 75 -11.281 12.577 -8.940 1.00 0.00 C ATOM 1187 C LYS A 75 -12.410 11.610 -9.302 1.00 0.00 C ATOM 1188 O LYS A 75 -12.375 10.976 -10.356 1.00 0.00 O ATOM 1189 CB LYS A 75 -11.762 13.998 -8.638 1.00 0.00 C ATOM 1190 CG LYS A 75 -11.166 14.511 -7.326 1.00 0.00 C ATOM 1191 CD LYS A 75 -12.146 15.439 -6.604 1.00 0.00 C ATOM 1192 CE LYS A 75 -11.440 16.701 -6.105 1.00 0.00 C ATOM 1193 NZ LYS A 75 -11.633 16.860 -4.646 1.00 0.00 N ATOM 0 H LYS A 75 -10.510 13.227 -10.776 1.00 0.00 H new ATOM 0 HA LYS A 75 -10.833 12.213 -8.015 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -11.479 14.663 -9.454 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -12.850 14.012 -8.577 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -10.916 13.668 -6.682 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -10.237 15.044 -7.528 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -12.956 15.714 -7.279 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -12.597 14.913 -5.762 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -10.376 16.644 -6.333 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -11.831 17.574 -6.627 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -11.148 17.721 -4.323 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -12.649 16.936 -4.436 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -11.238 16.034 -4.152 1.00 0.00 H new ATOM 1207 N SER A 76 -13.384 11.526 -8.408 1.00 0.00 N ATOM 1208 CA SER A 76 -14.521 10.647 -8.621 1.00 0.00 C ATOM 1209 C SER A 76 -14.070 9.186 -8.567 1.00 0.00 C ATOM 1210 O SER A 76 -13.991 8.519 -9.597 1.00 0.00 O ATOM 1211 CB SER A 76 -15.205 10.943 -9.957 1.00 0.00 C ATOM 1212 OG SER A 76 -16.509 10.374 -10.028 1.00 0.00 O ATOM 0 H SER A 76 -13.409 12.052 -7.535 1.00 0.00 H new ATOM 0 HA SER A 76 -15.245 10.827 -7.826 1.00 0.00 H new ATOM 0 HB2 SER A 76 -15.272 12.022 -10.098 1.00 0.00 H new ATOM 0 HB3 SER A 76 -14.594 10.552 -10.771 1.00 0.00 H new ATOM 0 HG SER A 76 -16.912 10.587 -10.896 1.00 0.00 H new ATOM 1218 N PHE A 77 -13.787 8.732 -7.355 1.00 0.00 N ATOM 1219 CA PHE A 77 -13.346 7.362 -7.153 1.00 0.00 C ATOM 1220 C PHE A 77 -14.053 6.730 -5.953 1.00 0.00 C ATOM 1221 O PHE A 77 -14.549 5.607 -6.041 1.00 0.00 O ATOM 1222 CB PHE A 77 -11.842 7.413 -6.876 1.00 0.00 C ATOM 1223 CG PHE A 77 -11.459 8.282 -5.676 1.00 0.00 C ATOM 1224 CD1 PHE A 77 -11.428 9.636 -5.800 1.00 0.00 C ATOM 1225 CD2 PHE A 77 -11.150 7.701 -4.486 1.00 0.00 C ATOM 1226 CE1 PHE A 77 -11.073 10.443 -4.687 1.00 0.00 C ATOM 1227 CE2 PHE A 77 -10.795 8.508 -3.373 1.00 0.00 C ATOM 1228 CZ PHE A 77 -10.764 9.862 -3.497 1.00 0.00 C ATOM 0 H PHE A 77 -13.854 9.288 -6.503 1.00 0.00 H new ATOM 0 HA PHE A 77 -13.577 6.763 -8.033 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -11.479 6.399 -6.708 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -11.332 7.791 -7.762 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -11.673 10.097 -6.745 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -11.175 6.626 -4.387 1.00 0.00 H new ATOM 0 HE1 PHE A 77 -11.048 11.518 -4.786 1.00 0.00 H new ATOM 0 HE2 PHE A 77 -10.550 8.047 -2.428 1.00 0.00 H new ATOM 0 HZ PHE A 77 -10.494 10.476 -2.650 1.00 0.00 H new ATOM 1238 N ALA A 78 -14.076 7.477 -4.859 1.00 0.00 N ATOM 1239 CA ALA A 78 -14.714 7.003 -3.643 1.00 0.00 C ATOM 1240 C ALA A 78 -15.236 8.200 -2.846 1.00 0.00 C ATOM 1241 O ALA A 78 -16.442 8.341 -2.649 1.00 0.00 O ATOM 1242 CB ALA A 78 -13.722 6.158 -2.841 1.00 0.00 C ATOM 0 H ALA A 78 -13.663 8.407 -4.789 1.00 0.00 H new ATOM 0 HA ALA A 78 -15.567 6.367 -3.881 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -14.201 5.803 -1.929 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -13.404 5.305 -3.440 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -12.854 6.764 -2.582 1.00 0.00 H new ATOM 1248 N GLU A 79 -14.303 9.033 -2.411 1.00 0.00 N ATOM 1249 CA GLU A 79 -14.654 10.214 -1.640 1.00 0.00 C ATOM 1250 C GLU A 79 -15.779 9.890 -0.655 1.00 0.00 C ATOM 1251 O GLU A 79 -16.786 10.595 -0.603 1.00 0.00 O ATOM 1252 CB GLU A 79 -15.047 11.372 -2.560 1.00 0.00 C ATOM 1253 CG GLU A 79 -13.899 11.737 -3.503 1.00 0.00 C ATOM 1254 CD GLU A 79 -14.427 12.390 -4.782 1.00 0.00 C ATOM 1255 OE1 GLU A 79 -14.746 13.597 -4.713 1.00 0.00 O ATOM 1256 OE2 GLU A 79 -14.499 11.668 -5.800 1.00 0.00 O ATOM 0 H GLU A 79 -13.304 8.914 -2.578 1.00 0.00 H new ATOM 0 HA GLU A 79 -13.778 10.526 -1.071 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -15.927 11.097 -3.142 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -15.320 12.241 -1.961 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -13.212 12.418 -3.000 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -13.332 10.841 -3.755 1.00 0.00 H new ATOM 1263 N GLY A 80 -15.571 8.823 0.102 1.00 0.00 N ATOM 1264 CA GLY A 80 -16.555 8.397 1.082 1.00 0.00 C ATOM 1265 C GLY A 80 -17.973 8.510 0.520 1.00 0.00 C ATOM 1266 O GLY A 80 -18.159 8.595 -0.693 1.00 0.00 O ATOM 0 H GLY A 80 -14.735 8.241 0.056 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -16.358 7.366 1.376 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -16.466 9.008 1.981 1.00 0.00 H new ATOM 1270 N GLN A 81 -18.938 8.506 1.428 1.00 0.00 N ATOM 1271 CA GLN A 81 -20.334 8.607 1.038 1.00 0.00 C ATOM 1272 C GLN A 81 -21.232 8.606 2.277 1.00 0.00 C ATOM 1273 O GLN A 81 -22.252 7.920 2.307 1.00 0.00 O ATOM 1274 CB GLN A 81 -20.718 7.478 0.081 1.00 0.00 C ATOM 1275 CG GLN A 81 -21.386 8.031 -1.180 1.00 0.00 C ATOM 1276 CD GLN A 81 -21.484 6.957 -2.265 1.00 0.00 C ATOM 1277 OE1 GLN A 81 -20.499 6.534 -2.847 1.00 0.00 O ATOM 1278 NE2 GLN A 81 -22.725 6.542 -2.504 1.00 0.00 N ATOM 0 H GLN A 81 -18.780 8.434 2.433 1.00 0.00 H new ATOM 0 HA GLN A 81 -20.477 9.550 0.511 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -19.829 6.911 -0.193 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -21.395 6.786 0.582 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -22.383 8.399 -0.936 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -20.816 8.881 -1.555 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -23.505 6.938 -1.980 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -22.896 5.827 -3.211 1.00 0.00 H new ATOM 1287 N THR A 82 -20.820 9.383 3.268 1.00 0.00 N ATOM 1288 CA THR A 82 -21.575 9.480 4.506 1.00 0.00 C ATOM 1289 C THR A 82 -22.040 8.094 4.957 1.00 0.00 C ATOM 1290 O THR A 82 -23.053 7.968 5.644 1.00 0.00 O ATOM 1291 CB THR A 82 -22.726 10.463 4.282 1.00 0.00 C ATOM 1292 OG1 THR A 82 -23.260 10.676 5.585 1.00 0.00 O ATOM 1293 CG2 THR A 82 -23.885 9.840 3.501 1.00 0.00 C ATOM 0 H THR A 82 -19.973 9.951 3.239 1.00 0.00 H new ATOM 0 HA THR A 82 -20.956 9.861 5.318 1.00 0.00 H new ATOM 0 HB THR A 82 -22.357 11.338 3.747 1.00 0.00 H new ATOM 0 HG1 THR A 82 -23.338 9.817 6.051 1.00 0.00 H new ATOM 0 HG21 THR A 82 -24.675 10.580 3.370 1.00 0.00 H new ATOM 0 HG22 THR A 82 -23.530 9.511 2.524 1.00 0.00 H new ATOM 0 HG23 THR A 82 -24.277 8.985 4.052 1.00 0.00 H new ATOM 1301 N SER A 83 -21.277 7.089 4.554 1.00 0.00 N ATOM 1302 CA SER A 83 -21.597 5.717 4.909 1.00 0.00 C ATOM 1303 C SER A 83 -20.452 4.789 4.497 1.00 0.00 C ATOM 1304 O SER A 83 -20.656 3.848 3.732 1.00 0.00 O ATOM 1305 CB SER A 83 -22.905 5.270 4.253 1.00 0.00 C ATOM 1306 OG SER A 83 -24.015 5.391 5.138 1.00 0.00 O ATOM 0 H SER A 83 -20.438 7.197 3.985 1.00 0.00 H new ATOM 0 HA SER A 83 -21.727 5.664 5.990 1.00 0.00 H new ATOM 0 HB2 SER A 83 -23.086 5.869 3.361 1.00 0.00 H new ATOM 0 HB3 SER A 83 -22.812 4.234 3.928 1.00 0.00 H new ATOM 0 HG SER A 83 -24.006 6.278 5.555 1.00 0.00 H new ATOM 1312 N ILE A 84 -19.274 5.087 5.023 1.00 0.00 N ATOM 1313 CA ILE A 84 -18.096 4.291 4.720 1.00 0.00 C ATOM 1314 C ILE A 84 -17.105 4.391 5.882 1.00 0.00 C ATOM 1315 O ILE A 84 -16.389 5.383 6.008 1.00 0.00 O ATOM 1316 CB ILE A 84 -17.505 4.702 3.370 1.00 0.00 C ATOM 1317 CG1 ILE A 84 -18.546 4.582 2.256 1.00 0.00 C ATOM 1318 CG2 ILE A 84 -16.239 3.901 3.060 1.00 0.00 C ATOM 1319 CD1 ILE A 84 -17.912 4.822 0.884 1.00 0.00 C ATOM 0 H ILE A 84 -19.109 5.869 5.657 1.00 0.00 H new ATOM 0 HA ILE A 84 -18.363 3.239 4.618 1.00 0.00 H new ATOM 0 HB ILE A 84 -17.216 5.751 3.429 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -19.000 3.591 2.283 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -19.346 5.303 2.422 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -15.839 4.212 2.095 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -15.495 4.081 3.836 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -16.480 2.838 3.027 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -18.674 4.731 0.110 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -17.481 5.823 0.852 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -17.129 4.084 0.711 1.00 0.00 H new ATOM 1331 N ASN A 85 -17.096 3.350 6.701 1.00 0.00 N ATOM 1332 CA ASN A 85 -16.205 3.308 7.848 1.00 0.00 C ATOM 1333 C ASN A 85 -15.559 1.924 7.936 1.00 0.00 C ATOM 1334 O ASN A 85 -16.152 0.991 8.474 1.00 0.00 O ATOM 1335 CB ASN A 85 -16.970 3.556 9.149 1.00 0.00 C ATOM 1336 CG ASN A 85 -16.281 4.629 9.994 1.00 0.00 C ATOM 1337 OD1 ASN A 85 -15.203 4.436 10.531 1.00 0.00 O ATOM 1338 ND2 ASN A 85 -16.962 5.768 10.082 1.00 0.00 N ATOM 0 H ASN A 85 -17.692 2.529 6.593 1.00 0.00 H new ATOM 0 HA ASN A 85 -15.452 4.085 7.719 1.00 0.00 H new ATOM 0 HB2 ASN A 85 -17.990 3.866 8.922 1.00 0.00 H new ATOM 0 HB3 ASN A 85 -17.038 2.628 9.717 1.00 0.00 H new ATOM 0 HD21 ASN A 85 -16.586 6.546 10.624 1.00 0.00 H new ATOM 0 HD22 ASN A 85 -17.860 5.863 9.607 1.00 0.00 H new ATOM 1345 N LYS A 86 -14.350 1.835 7.399 1.00 0.00 N ATOM 1346 CA LYS A 86 -13.617 0.581 7.411 1.00 0.00 C ATOM 1347 C LYS A 86 -12.116 0.872 7.361 1.00 0.00 C ATOM 1348 O LYS A 86 -11.700 2.026 7.455 1.00 0.00 O ATOM 1349 CB LYS A 86 -14.104 -0.334 6.285 1.00 0.00 C ATOM 1350 CG LYS A 86 -15.191 -1.288 6.785 1.00 0.00 C ATOM 1351 CD LYS A 86 -16.551 -0.936 6.178 1.00 0.00 C ATOM 1352 CE LYS A 86 -17.656 -1.820 6.758 1.00 0.00 C ATOM 1353 NZ LYS A 86 -18.850 -1.010 7.085 1.00 0.00 N ATOM 0 H LYS A 86 -13.861 2.611 6.953 1.00 0.00 H new ATOM 0 HA LYS A 86 -13.806 0.038 8.337 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -14.493 0.269 5.465 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -13.266 -0.907 5.889 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -14.927 -2.313 6.526 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -15.250 -1.239 7.872 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -16.779 0.112 6.372 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -16.513 -1.059 5.096 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -17.922 -2.597 6.041 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -17.294 -2.323 7.655 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -19.590 -1.626 7.478 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -18.596 -0.284 7.785 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -19.204 -0.550 6.222 1.00 0.00 H new ATOM 1367 N THR A 87 -11.343 -0.194 7.212 1.00 0.00 N ATOM 1368 CA THR A 87 -9.897 -0.067 7.149 1.00 0.00 C ATOM 1369 C THR A 87 -9.481 0.652 5.864 1.00 0.00 C ATOM 1370 O THR A 87 -8.562 1.469 5.875 1.00 0.00 O ATOM 1371 CB THR A 87 -9.293 -1.466 7.285 1.00 0.00 C ATOM 1372 OG1 THR A 87 -9.358 -1.737 8.683 1.00 0.00 O ATOM 1373 CG2 THR A 87 -7.796 -1.491 6.970 1.00 0.00 C ATOM 0 H THR A 87 -11.691 -1.150 7.133 1.00 0.00 H new ATOM 0 HA THR A 87 -9.518 0.547 7.966 1.00 0.00 H new ATOM 0 HB THR A 87 -9.815 -2.153 6.619 1.00 0.00 H new ATOM 0 HG1 THR A 87 -8.988 -2.627 8.861 1.00 0.00 H new ATOM 0 HG21 THR A 87 -7.418 -2.507 7.082 1.00 0.00 H new ATOM 0 HG22 THR A 87 -7.634 -1.154 5.946 1.00 0.00 H new ATOM 0 HG23 THR A 87 -7.268 -0.830 7.657 1.00 0.00 H new ATOM 1381 N PHE A 88 -10.178 0.321 4.787 1.00 0.00 N ATOM 1382 CA PHE A 88 -9.892 0.925 3.496 1.00 0.00 C ATOM 1383 C PHE A 88 -9.640 2.427 3.637 1.00 0.00 C ATOM 1384 O PHE A 88 -8.574 2.919 3.269 1.00 0.00 O ATOM 1385 CB PHE A 88 -11.126 0.708 2.618 1.00 0.00 C ATOM 1386 CG PHE A 88 -10.959 1.199 1.178 1.00 0.00 C ATOM 1387 CD1 PHE A 88 -9.935 0.732 0.415 1.00 0.00 C ATOM 1388 CD2 PHE A 88 -11.836 2.102 0.662 1.00 0.00 C ATOM 1389 CE1 PHE A 88 -9.781 1.187 -0.921 1.00 0.00 C ATOM 1390 CE2 PHE A 88 -11.681 2.557 -0.674 1.00 0.00 C ATOM 1391 CZ PHE A 88 -10.657 2.090 -1.437 1.00 0.00 C ATOM 0 H PHE A 88 -10.940 -0.357 4.781 1.00 0.00 H new ATOM 0 HA PHE A 88 -8.999 0.473 3.063 1.00 0.00 H new ATOM 0 HB2 PHE A 88 -11.366 -0.355 2.603 1.00 0.00 H new ATOM 0 HB3 PHE A 88 -11.975 1.220 3.070 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -9.239 0.015 0.825 1.00 0.00 H new ATOM 0 HD2 PHE A 88 -12.649 2.472 1.268 1.00 0.00 H new ATOM 0 HE1 PHE A 88 -8.968 0.816 -1.527 1.00 0.00 H new ATOM 0 HE2 PHE A 88 -12.377 3.274 -1.084 1.00 0.00 H new ATOM 0 HZ PHE A 88 -10.539 2.436 -2.453 1.00 0.00 H new ATOM 1401 N LYS A 89 -10.638 3.115 4.172 1.00 0.00 N ATOM 1402 CA LYS A 89 -10.537 4.551 4.367 1.00 0.00 C ATOM 1403 C LYS A 89 -9.213 4.876 5.061 1.00 0.00 C ATOM 1404 O LYS A 89 -8.420 5.667 4.553 1.00 0.00 O ATOM 1405 CB LYS A 89 -11.767 5.079 5.110 1.00 0.00 C ATOM 1406 CG LYS A 89 -12.498 6.135 4.279 1.00 0.00 C ATOM 1407 CD LYS A 89 -11.831 7.504 4.422 1.00 0.00 C ATOM 1408 CE LYS A 89 -12.870 8.627 4.394 1.00 0.00 C ATOM 1409 NZ LYS A 89 -12.410 9.738 3.531 1.00 0.00 N ATOM 0 H LYS A 89 -11.521 2.704 4.476 1.00 0.00 H new ATOM 0 HA LYS A 89 -10.528 5.066 3.406 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -12.444 4.254 5.333 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -11.463 5.509 6.065 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -12.504 5.837 3.230 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -13.538 6.198 4.599 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -11.272 7.544 5.357 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -11.113 7.648 3.615 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -13.821 8.242 4.025 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -13.046 8.993 5.406 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -13.127 10.491 3.523 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -11.514 10.116 3.900 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -12.265 9.388 2.562 1.00 0.00 H new ATOM 1423 N LYS A 90 -9.016 4.249 6.212 1.00 0.00 N ATOM 1424 CA LYS A 90 -7.801 4.462 6.981 1.00 0.00 C ATOM 1425 C LYS A 90 -6.603 4.509 6.031 1.00 0.00 C ATOM 1426 O LYS A 90 -5.627 5.210 6.292 1.00 0.00 O ATOM 1427 CB LYS A 90 -7.673 3.406 8.081 1.00 0.00 C ATOM 1428 CG LYS A 90 -7.732 4.050 9.468 1.00 0.00 C ATOM 1429 CD LYS A 90 -8.581 3.211 10.425 1.00 0.00 C ATOM 1430 CE LYS A 90 -8.168 3.452 11.879 1.00 0.00 C ATOM 1431 NZ LYS A 90 -9.092 4.409 12.528 1.00 0.00 N ATOM 0 H LYS A 90 -9.677 3.594 6.630 1.00 0.00 H new ATOM 0 HA LYS A 90 -7.838 5.423 7.495 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -8.474 2.673 7.982 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -6.732 2.868 7.966 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -6.723 4.155 9.868 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -8.150 5.054 9.390 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -9.634 3.460 10.296 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -8.472 2.154 10.182 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -8.170 2.509 12.425 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -7.150 3.839 11.915 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -8.798 4.561 13.514 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -9.070 5.314 12.016 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -10.058 4.025 12.511 1.00 0.00 H new ATOM 1445 N ALA A 91 -6.717 3.754 4.948 1.00 0.00 N ATOM 1446 CA ALA A 91 -5.655 3.702 3.958 1.00 0.00 C ATOM 1447 C ALA A 91 -5.765 4.915 3.032 1.00 0.00 C ATOM 1448 O ALA A 91 -4.818 5.690 2.903 1.00 0.00 O ATOM 1449 CB ALA A 91 -5.733 2.378 3.195 1.00 0.00 C ATOM 0 H ALA A 91 -7.528 3.174 4.735 1.00 0.00 H new ATOM 0 HA ALA A 91 -4.679 3.744 4.441 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -4.936 2.339 2.452 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -5.620 1.549 3.893 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -6.699 2.302 2.696 1.00 0.00 H new ATOM 1455 N LEU A 92 -6.929 5.043 2.413 1.00 0.00 N ATOM 1456 CA LEU A 92 -7.176 6.149 1.503 1.00 0.00 C ATOM 1457 C LEU A 92 -6.610 7.436 2.107 1.00 0.00 C ATOM 1458 O LEU A 92 -5.891 8.176 1.437 1.00 0.00 O ATOM 1459 CB LEU A 92 -8.663 6.235 1.155 1.00 0.00 C ATOM 1460 CG LEU A 92 -9.246 5.038 0.402 1.00 0.00 C ATOM 1461 CD1 LEU A 92 -10.776 5.061 0.436 1.00 0.00 C ATOM 1462 CD2 LEU A 92 -8.706 4.973 -1.027 1.00 0.00 C ATOM 0 H LEU A 92 -7.712 4.399 2.524 1.00 0.00 H new ATOM 0 HA LEU A 92 -6.660 5.986 0.557 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -9.225 6.366 2.080 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -8.824 7.130 0.554 1.00 0.00 H new ATOM 0 HG LEU A 92 -8.926 4.127 0.909 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -11.165 4.199 -0.106 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -11.118 5.023 1.470 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -11.137 5.977 -0.032 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -9.136 4.113 -1.540 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -8.975 5.885 -1.560 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -7.621 4.875 -1.002 1.00 0.00 H new ATOM 1474 N GLU A 93 -6.955 7.663 3.366 1.00 0.00 N ATOM 1475 CA GLU A 93 -6.490 8.847 4.067 1.00 0.00 C ATOM 1476 C GLU A 93 -4.967 8.817 4.209 1.00 0.00 C ATOM 1477 O GLU A 93 -4.272 9.668 3.656 1.00 0.00 O ATOM 1478 CB GLU A 93 -7.166 8.976 5.434 1.00 0.00 C ATOM 1479 CG GLU A 93 -8.663 9.251 5.282 1.00 0.00 C ATOM 1480 CD GLU A 93 -9.154 10.222 6.358 1.00 0.00 C ATOM 1481 OE1 GLU A 93 -8.905 11.435 6.185 1.00 0.00 O ATOM 1482 OE2 GLU A 93 -9.766 9.729 7.330 1.00 0.00 O ATOM 0 H GLU A 93 -7.551 7.047 3.918 1.00 0.00 H new ATOM 0 HA GLU A 93 -6.763 9.723 3.479 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -7.017 8.060 6.005 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -6.700 9.783 5.999 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -8.862 9.667 4.294 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -9.217 8.315 5.351 1.00 0.00 H new ATOM 1489 N GLU A 94 -4.494 7.828 4.952 1.00 0.00 N ATOM 1490 CA GLU A 94 -3.066 7.676 5.174 1.00 0.00 C ATOM 1491 C GLU A 94 -2.304 7.845 3.858 1.00 0.00 C ATOM 1492 O GLU A 94 -1.405 8.680 3.760 1.00 0.00 O ATOM 1493 CB GLU A 94 -2.752 6.324 5.819 1.00 0.00 C ATOM 1494 CG GLU A 94 -2.676 6.448 7.342 1.00 0.00 C ATOM 1495 CD GLU A 94 -1.357 5.882 7.873 1.00 0.00 C ATOM 1496 OE1 GLU A 94 -0.329 6.113 7.201 1.00 0.00 O ATOM 1497 OE2 GLU A 94 -1.407 5.230 8.938 1.00 0.00 O ATOM 0 H GLU A 94 -5.074 7.124 5.408 1.00 0.00 H new ATOM 0 HA GLU A 94 -2.740 8.455 5.863 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -3.520 5.600 5.547 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -1.806 5.944 5.434 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -2.769 7.495 7.630 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -3.513 5.917 7.796 1.00 0.00 H new ATOM 1504 N ALA A 95 -2.690 7.041 2.879 1.00 0.00 N ATOM 1505 CA ALA A 95 -2.055 7.091 1.573 1.00 0.00 C ATOM 1506 C ALA A 95 -1.953 8.548 1.117 1.00 0.00 C ATOM 1507 O ALA A 95 -0.905 8.981 0.640 1.00 0.00 O ATOM 1508 CB ALA A 95 -2.842 6.225 0.588 1.00 0.00 C ATOM 0 H ALA A 95 -3.436 6.350 2.964 1.00 0.00 H new ATOM 0 HA ALA A 95 -1.043 6.689 1.622 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -2.365 6.263 -0.391 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -2.860 5.195 0.943 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -3.863 6.599 0.509 1.00 0.00 H new ATOM 1514 N ALA A 96 -3.056 9.264 1.279 1.00 0.00 N ATOM 1515 CA ALA A 96 -3.104 10.663 0.889 1.00 0.00 C ATOM 1516 C ALA A 96 -2.022 11.436 1.646 1.00 0.00 C ATOM 1517 O ALA A 96 -1.135 12.030 1.035 1.00 0.00 O ATOM 1518 CB ALA A 96 -4.506 11.218 1.148 1.00 0.00 C ATOM 0 H ALA A 96 -3.923 8.902 1.675 1.00 0.00 H new ATOM 0 HA ALA A 96 -2.903 10.771 -0.177 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -4.542 12.267 0.855 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -5.234 10.654 0.565 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -4.742 11.129 2.208 1.00 0.00 H new ATOM 1524 N LYS A 97 -2.131 11.404 2.966 1.00 0.00 N ATOM 1525 CA LYS A 97 -1.173 12.094 3.813 1.00 0.00 C ATOM 1526 C LYS A 97 0.231 11.925 3.230 1.00 0.00 C ATOM 1527 O LYS A 97 0.843 12.896 2.786 1.00 0.00 O ATOM 1528 CB LYS A 97 -1.299 11.618 5.262 1.00 0.00 C ATOM 1529 CG LYS A 97 -1.346 12.805 6.227 1.00 0.00 C ATOM 1530 CD LYS A 97 -2.603 12.754 7.097 1.00 0.00 C ATOM 1531 CE LYS A 97 -2.501 13.736 8.266 1.00 0.00 C ATOM 1532 NZ LYS A 97 -3.829 13.946 8.884 1.00 0.00 N ATOM 0 H LYS A 97 -2.868 10.911 3.470 1.00 0.00 H new ATOM 0 HA LYS A 97 -1.383 13.163 3.834 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -2.202 11.018 5.374 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -0.455 10.975 5.512 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -0.460 12.798 6.861 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -1.327 13.738 5.663 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -3.478 12.993 6.492 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -2.745 11.743 7.478 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -1.803 13.353 9.011 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -2.102 14.688 7.915 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -3.742 14.615 9.675 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -4.485 14.332 8.175 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -4.195 13.039 9.236 1.00 0.00 H new ATOM 1546 N ARG A 98 0.701 10.687 3.251 1.00 0.00 N ATOM 1547 CA ARG A 98 2.022 10.379 2.730 1.00 0.00 C ATOM 1548 C ARG A 98 2.303 11.206 1.473 1.00 0.00 C ATOM 1549 O ARG A 98 3.227 12.017 1.454 1.00 0.00 O ATOM 1550 CB ARG A 98 2.148 8.892 2.392 1.00 0.00 C ATOM 1551 CG ARG A 98 2.116 8.037 3.661 1.00 0.00 C ATOM 1552 CD ARG A 98 3.321 8.335 4.554 1.00 0.00 C ATOM 1553 NE ARG A 98 3.458 7.284 5.587 1.00 0.00 N ATOM 1554 CZ ARG A 98 4.486 7.202 6.444 1.00 0.00 C ATOM 1555 NH1 ARG A 98 5.472 8.109 6.396 1.00 0.00 N ATOM 1556 NH2 ARG A 98 4.527 6.214 7.348 1.00 0.00 N ATOM 0 H ARG A 98 0.191 9.885 3.621 1.00 0.00 H new ATOM 0 HA ARG A 98 2.749 10.627 3.503 1.00 0.00 H new ATOM 0 HB2 ARG A 98 1.335 8.596 1.729 1.00 0.00 H new ATOM 0 HB3 ARG A 98 3.079 8.715 1.853 1.00 0.00 H new ATOM 0 HG2 ARG A 98 1.195 8.230 4.211 1.00 0.00 H new ATOM 0 HG3 ARG A 98 2.111 6.981 3.392 1.00 0.00 H new ATOM 0 HD2 ARG A 98 4.228 8.384 3.951 1.00 0.00 H new ATOM 0 HD3 ARG A 98 3.201 9.309 5.028 1.00 0.00 H new ATOM 0 HE ARG A 98 2.725 6.578 5.651 1.00 0.00 H new ATOM 0 HH11 ARG A 98 5.440 8.861 5.708 1.00 0.00 H new ATOM 0 HH12 ARG A 98 6.254 8.047 7.048 1.00 0.00 H new ATOM 0 HH21 ARG A 98 3.776 5.524 7.384 1.00 0.00 H new ATOM 0 HH22 ARG A 98 5.309 6.151 8.000 1.00 0.00 H new ATOM 1570 N PHE A 99 1.489 10.971 0.455 1.00 0.00 N ATOM 1571 CA PHE A 99 1.638 11.683 -0.803 1.00 0.00 C ATOM 1572 C PHE A 99 1.840 13.181 -0.563 1.00 0.00 C ATOM 1573 O PHE A 99 2.619 13.826 -1.263 1.00 0.00 O ATOM 1574 CB PHE A 99 0.344 11.475 -1.591 1.00 0.00 C ATOM 1575 CG PHE A 99 0.419 11.945 -3.046 1.00 0.00 C ATOM 1576 CD1 PHE A 99 0.957 11.134 -3.996 1.00 0.00 C ATOM 1577 CD2 PHE A 99 -0.052 13.174 -3.388 1.00 0.00 C ATOM 1578 CE1 PHE A 99 1.026 11.570 -5.345 1.00 0.00 C ATOM 1579 CE2 PHE A 99 0.018 13.610 -4.737 1.00 0.00 C ATOM 1580 CZ PHE A 99 0.555 12.799 -5.687 1.00 0.00 C ATOM 0 H PHE A 99 0.724 10.297 0.475 1.00 0.00 H new ATOM 0 HA PHE A 99 2.507 11.307 -1.343 1.00 0.00 H new ATOM 0 HB2 PHE A 99 0.087 10.416 -1.575 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -0.464 12.007 -1.089 1.00 0.00 H new ATOM 0 HD1 PHE A 99 1.332 10.158 -3.724 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -0.479 13.818 -2.634 1.00 0.00 H new ATOM 0 HE1 PHE A 99 1.452 10.926 -6.100 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -0.355 14.586 -5.009 1.00 0.00 H new ATOM 0 HZ PHE A 99 0.608 13.131 -6.713 1.00 0.00 H new ATOM 1590 N GLN A 100 1.124 13.691 0.428 1.00 0.00 N ATOM 1591 CA GLN A 100 1.215 15.101 0.769 1.00 0.00 C ATOM 1592 C GLN A 100 2.507 15.378 1.539 1.00 0.00 C ATOM 1593 O GLN A 100 3.077 16.463 1.432 1.00 0.00 O ATOM 1594 CB GLN A 100 -0.008 15.551 1.570 1.00 0.00 C ATOM 1595 CG GLN A 100 -1.299 15.012 0.949 1.00 0.00 C ATOM 1596 CD GLN A 100 -2.190 16.155 0.458 1.00 0.00 C ATOM 1597 OE1 GLN A 100 -2.256 16.462 -0.721 1.00 0.00 O ATOM 1598 NE2 GLN A 100 -2.869 16.766 1.425 1.00 0.00 N ATOM 0 H GLN A 100 0.478 13.153 1.006 1.00 0.00 H new ATOM 0 HA GLN A 100 1.235 15.678 -0.155 1.00 0.00 H new ATOM 0 HB2 GLN A 100 0.078 15.202 2.599 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -0.044 16.640 1.605 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -1.058 14.351 0.117 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -1.839 14.415 1.684 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -2.767 16.458 2.392 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -3.491 17.542 1.199 1.00 0.00 H new ATOM 1607 N GLU A 101 2.932 14.380 2.299 1.00 0.00 N ATOM 1608 CA GLU A 101 4.147 14.503 3.087 1.00 0.00 C ATOM 1609 C GLU A 101 5.376 14.452 2.179 1.00 0.00 C ATOM 1610 O GLU A 101 6.212 15.355 2.208 1.00 0.00 O ATOM 1611 CB GLU A 101 4.214 13.417 4.163 1.00 0.00 C ATOM 1612 CG GLU A 101 2.850 13.214 4.824 1.00 0.00 C ATOM 1613 CD GLU A 101 3.004 12.882 6.310 1.00 0.00 C ATOM 1614 OE1 GLU A 101 3.494 11.768 6.594 1.00 0.00 O ATOM 1615 OE2 GLU A 101 2.628 13.750 7.127 1.00 0.00 O ATOM 0 H GLU A 101 2.457 13.482 2.386 1.00 0.00 H new ATOM 0 HA GLU A 101 4.133 15.469 3.592 1.00 0.00 H new ATOM 0 HB2 GLU A 101 4.549 12.480 3.718 1.00 0.00 H new ATOM 0 HB3 GLU A 101 4.950 13.693 4.918 1.00 0.00 H new ATOM 0 HG2 GLU A 101 2.249 14.116 4.710 1.00 0.00 H new ATOM 0 HG3 GLU A 101 2.315 12.408 4.321 1.00 0.00 H new ATOM 1622 N LEU A 102 5.449 13.388 1.393 1.00 0.00 N ATOM 1623 CA LEU A 102 6.563 13.207 0.478 1.00 0.00 C ATOM 1624 C LEU A 102 6.876 14.540 -0.206 1.00 0.00 C ATOM 1625 O LEU A 102 7.982 15.063 -0.077 1.00 0.00 O ATOM 1626 CB LEU A 102 6.273 12.067 -0.500 1.00 0.00 C ATOM 1627 CG LEU A 102 6.847 10.699 -0.125 1.00 0.00 C ATOM 1628 CD1 LEU A 102 6.693 10.433 1.374 1.00 0.00 C ATOM 1629 CD2 LEU A 102 6.220 9.590 -0.972 1.00 0.00 C ATOM 0 H LEU A 102 4.754 12.642 1.371 1.00 0.00 H new ATOM 0 HA LEU A 102 7.459 12.909 1.022 1.00 0.00 H new ATOM 0 HB2 LEU A 102 5.192 11.970 -0.603 1.00 0.00 H new ATOM 0 HB3 LEU A 102 6.663 12.347 -1.479 1.00 0.00 H new ATOM 0 HG LEU A 102 7.915 10.705 -0.343 1.00 0.00 H new ATOM 0 HD11 LEU A 102 7.109 9.455 1.614 1.00 0.00 H new ATOM 0 HD12 LEU A 102 7.224 11.201 1.936 1.00 0.00 H new ATOM 0 HD13 LEU A 102 5.636 10.454 1.641 1.00 0.00 H new ATOM 0 HD21 LEU A 102 6.646 8.628 -0.685 1.00 0.00 H new ATOM 0 HD22 LEU A 102 5.142 9.573 -0.809 1.00 0.00 H new ATOM 0 HD23 LEU A 102 6.425 9.777 -2.026 1.00 0.00 H new ATOM 1641 N LYS A 103 5.882 15.051 -0.918 1.00 0.00 N ATOM 1642 CA LYS A 103 6.038 16.312 -1.623 1.00 0.00 C ATOM 1643 C LYS A 103 6.321 17.424 -0.611 1.00 0.00 C ATOM 1644 O LYS A 103 7.038 18.377 -0.915 1.00 0.00 O ATOM 1645 CB LYS A 103 4.822 16.583 -2.511 1.00 0.00 C ATOM 1646 CG LYS A 103 3.547 16.703 -1.674 1.00 0.00 C ATOM 1647 CD LYS A 103 2.302 16.488 -2.537 1.00 0.00 C ATOM 1648 CE LYS A 103 1.388 17.714 -2.495 1.00 0.00 C ATOM 1649 NZ LYS A 103 2.029 18.862 -3.173 1.00 0.00 N ATOM 0 H LYS A 103 4.966 14.615 -1.022 1.00 0.00 H new ATOM 0 HA LYS A 103 6.893 16.269 -2.298 1.00 0.00 H new ATOM 0 HB2 LYS A 103 4.978 17.502 -3.076 1.00 0.00 H new ATOM 0 HB3 LYS A 103 4.710 15.777 -3.237 1.00 0.00 H new ATOM 0 HG2 LYS A 103 3.566 15.969 -0.868 1.00 0.00 H new ATOM 0 HG3 LYS A 103 3.505 17.687 -1.208 1.00 0.00 H new ATOM 0 HD2 LYS A 103 2.599 16.286 -3.566 1.00 0.00 H new ATOM 0 HD3 LYS A 103 1.758 15.612 -2.185 1.00 0.00 H new ATOM 0 HE2 LYS A 103 0.438 17.483 -2.977 1.00 0.00 H new ATOM 0 HE3 LYS A 103 1.165 17.973 -1.460 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 1.332 19.623 -3.301 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 2.819 19.210 -2.594 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 2.387 18.561 -4.102 1.00 0.00 H new ATOM 1663 N ALA A 104 5.743 17.267 0.571 1.00 0.00 N ATOM 1664 CA ALA A 104 5.924 18.246 1.629 1.00 0.00 C ATOM 1665 C ALA A 104 7.050 17.786 2.557 1.00 0.00 C ATOM 1666 O ALA A 104 6.791 17.246 3.632 1.00 0.00 O ATOM 1667 CB ALA A 104 4.601 18.447 2.371 1.00 0.00 C ATOM 0 H ALA A 104 5.149 16.476 0.819 1.00 0.00 H new ATOM 0 HA ALA A 104 6.214 19.211 1.213 1.00 0.00 H new ATOM 0 HB1 ALA A 104 4.737 19.182 3.165 1.00 0.00 H new ATOM 0 HB2 ALA A 104 3.843 18.803 1.673 1.00 0.00 H new ATOM 0 HB3 ALA A 104 4.279 17.500 2.804 1.00 0.00 H new ATOM 1673 N SER A 105 8.275 18.015 2.108 1.00 0.00 N ATOM 1674 CA SER A 105 9.441 17.630 2.885 1.00 0.00 C ATOM 1675 C SER A 105 10.687 18.332 2.342 1.00 0.00 C ATOM 1676 O SER A 105 11.319 17.846 1.405 1.00 0.00 O ATOM 1677 CB SER A 105 9.637 16.113 2.869 1.00 0.00 C ATOM 1678 OG SER A 105 9.676 15.566 4.184 1.00 0.00 O ATOM 0 H SER A 105 8.486 18.462 1.216 1.00 0.00 H new ATOM 0 HA SER A 105 9.280 17.937 3.918 1.00 0.00 H new ATOM 0 HB2 SER A 105 8.827 15.649 2.307 1.00 0.00 H new ATOM 0 HB3 SER A 105 10.564 15.873 2.349 1.00 0.00 H new ATOM 0 HG SER A 105 9.801 14.595 4.131 1.00 0.00 H new ATOM 1684 N GLY A 106 11.002 19.465 2.952 1.00 0.00 N ATOM 1685 CA GLY A 106 12.161 20.239 2.541 1.00 0.00 C ATOM 1686 C GLY A 106 11.755 21.380 1.606 1.00 0.00 C ATOM 1687 O GLY A 106 10.705 21.322 0.969 1.00 0.00 O ATOM 0 H GLY A 106 10.475 19.866 3.728 1.00 0.00 H new ATOM 0 HA2 GLY A 106 12.662 20.645 3.420 1.00 0.00 H new ATOM 0 HA3 GLY A 106 12.877 19.589 2.038 1.00 0.00 H new ATOM 1691 N PRO A 107 12.633 22.418 1.551 1.00 0.00 N ATOM 1692 CA PRO A 107 12.376 23.571 0.705 1.00 0.00 C ATOM 1693 C PRO A 107 12.626 23.237 -0.767 1.00 0.00 C ATOM 1694 O PRO A 107 13.717 23.473 -1.284 1.00 0.00 O ATOM 1695 CB PRO A 107 13.297 24.659 1.232 1.00 0.00 C ATOM 1696 CG PRO A 107 14.363 23.944 2.046 1.00 0.00 C ATOM 1697 CD PRO A 107 13.887 22.521 2.291 1.00 0.00 C ATOM 0 HA PRO A 107 11.336 23.896 0.741 1.00 0.00 H new ATOM 0 HB2 PRO A 107 13.744 25.223 0.413 1.00 0.00 H new ATOM 0 HB3 PRO A 107 12.748 25.371 1.848 1.00 0.00 H new ATOM 0 HG2 PRO A 107 15.313 23.942 1.512 1.00 0.00 H new ATOM 0 HG3 PRO A 107 14.530 24.459 2.992 1.00 0.00 H new ATOM 0 HD2 PRO A 107 14.617 21.793 1.937 1.00 0.00 H new ATOM 0 HD3 PRO A 107 13.737 22.331 3.354 1.00 0.00 H new ATOM 1705 N SER A 108 11.598 22.692 -1.400 1.00 0.00 N ATOM 1706 CA SER A 108 11.693 22.323 -2.802 1.00 0.00 C ATOM 1707 C SER A 108 10.314 21.925 -3.333 1.00 0.00 C ATOM 1708 O SER A 108 9.956 20.748 -3.322 1.00 0.00 O ATOM 1709 CB SER A 108 12.689 21.180 -3.005 1.00 0.00 C ATOM 1710 OG SER A 108 13.929 21.640 -3.536 1.00 0.00 O ATOM 0 H SER A 108 10.695 22.497 -0.968 1.00 0.00 H new ATOM 0 HA SER A 108 12.055 23.187 -3.359 1.00 0.00 H new ATOM 0 HB2 SER A 108 12.866 20.680 -2.053 1.00 0.00 H new ATOM 0 HB3 SER A 108 12.258 20.439 -3.679 1.00 0.00 H new ATOM 0 HG SER A 108 14.257 22.390 -2.997 1.00 0.00 H new ATOM 1716 N SER A 109 9.577 22.929 -3.786 1.00 0.00 N ATOM 1717 CA SER A 109 8.246 22.698 -4.320 1.00 0.00 C ATOM 1718 C SER A 109 8.319 21.749 -5.518 1.00 0.00 C ATOM 1719 O SER A 109 9.013 22.029 -6.494 1.00 0.00 O ATOM 1720 CB SER A 109 7.580 24.015 -4.726 1.00 0.00 C ATOM 1721 OG SER A 109 8.260 24.646 -5.807 1.00 0.00 O ATOM 0 H SER A 109 9.877 23.904 -3.794 1.00 0.00 H new ATOM 0 HA SER A 109 7.639 22.240 -3.539 1.00 0.00 H new ATOM 0 HB2 SER A 109 6.545 23.825 -5.010 1.00 0.00 H new ATOM 0 HB3 SER A 109 7.557 24.689 -3.869 1.00 0.00 H new ATOM 0 HG SER A 109 8.724 23.968 -6.342 1.00 0.00 H new ATOM 1727 N GLY A 110 7.595 20.646 -5.403 1.00 0.00 N ATOM 1728 CA GLY A 110 7.569 19.654 -6.465 1.00 0.00 C ATOM 1729 C GLY A 110 7.327 18.253 -5.900 1.00 0.00 C ATOM 1730 O GLY A 110 8.076 17.323 -6.194 1.00 0.00 O ATOM 0 H GLY A 110 7.022 20.417 -4.591 1.00 0.00 H new ATOM 0 HA2 GLY A 110 6.785 19.902 -7.180 1.00 0.00 H new ATOM 0 HA3 GLY A 110 8.514 19.673 -7.008 1.00 0.00 H new TER 1734 GLY A 110