USER MOD reduce.3.24.130724 H: found=0, std=0, add=724, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 722 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 30 HIS : no HD1:sc= -0.0273 X(o=-0.61,f=-0.63) USER MOD Set 1.2: A 41 MET CE :methyl -154:sc= -0.583 (180deg=-3.13!) USER MOD Single : A 1 GLY N :NH3+ -110:sc= 0.0289 (180deg=0) USER MOD Single : A 2 SER OG : rot 23:sc= 0.633 USER MOD Single : A 3 SER OG : rot 180:sc= -0.0303 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 11:sc= 0.822 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 THR OG1 : rot 180:sc= -0.0073 USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 ASN : amide:sc= -0.928 X(o=-0.93,f=-1.4!) USER MOD Single : A 25 GLN : amide:sc= 0 X(o=0,f=-0.087) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot -170:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ -166:sc=-0.00114 (180deg=-0.105) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 GLN : amide:sc= 0 X(o=0,f=-0.15) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 GLN : amide:sc= -0.0146 X(o=-0.015,f=-0.017) USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 67 GLN : amide:sc= -0.259 X(o=-0.26,f=-0.041) USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 GLN : amide:sc= 0.53 K(o=0.53,f=0) USER MOD Single : A 77 GLN : amide:sc= -0.253 X(o=-0.25,f=-0.03) USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 CYS SG : rot 180:sc= 0 USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 SER OG : rot 21:sc= 0.421! USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 12.788 -4.618 0.560 1.00 0.00 N ATOM 2 CA GLY A 1 11.892 -5.236 1.520 1.00 0.00 C ATOM 3 C GLY A 1 11.535 -6.661 1.146 1.00 0.00 C ATOM 4 O GLY A 1 11.486 -7.007 -0.034 1.00 0.00 O ATOM 0 H1 GLY A 1 13.727 -4.495 0.990 1.00 0.00 H new ATOM 0 H2 GLY A 1 12.869 -5.225 -0.280 1.00 0.00 H new ATOM 0 H3 GLY A 1 12.411 -3.690 0.281 1.00 0.00 H new ATOM 0 HA2 GLY A 1 12.359 -5.228 2.505 1.00 0.00 H new ATOM 0 HA3 GLY A 1 10.980 -4.644 1.595 1.00 0.00 H new ATOM 8 N SER A 2 11.284 -7.491 2.155 1.00 0.00 N ATOM 9 CA SER A 2 10.934 -8.887 1.926 1.00 0.00 C ATOM 10 C SER A 2 9.426 -9.049 1.757 1.00 0.00 C ATOM 11 O SER A 2 8.656 -8.787 2.680 1.00 0.00 O ATOM 12 CB SER A 2 11.425 -9.754 3.087 1.00 0.00 C ATOM 13 OG SER A 2 10.729 -9.446 4.283 1.00 0.00 O ATOM 0 H SER A 2 11.317 -7.220 3.138 1.00 0.00 H new ATOM 0 HA SER A 2 11.421 -9.212 1.007 1.00 0.00 H new ATOM 0 HB2 SER A 2 11.286 -10.807 2.843 1.00 0.00 H new ATOM 0 HB3 SER A 2 12.494 -9.599 3.234 1.00 0.00 H new ATOM 0 HG SER A 2 9.870 -9.029 4.063 1.00 0.00 H new ATOM 19 N SER A 3 9.015 -9.483 0.571 1.00 0.00 N ATOM 20 CA SER A 3 7.599 -9.676 0.278 1.00 0.00 C ATOM 21 C SER A 3 7.182 -11.120 0.540 1.00 0.00 C ATOM 22 O SER A 3 6.239 -11.380 1.286 1.00 0.00 O ATOM 23 CB SER A 3 7.302 -9.305 -1.177 1.00 0.00 C ATOM 24 OG SER A 3 8.186 -9.969 -2.064 1.00 0.00 O ATOM 0 H SER A 3 9.641 -9.708 -0.202 1.00 0.00 H new ATOM 0 HA SER A 3 7.025 -9.024 0.937 1.00 0.00 H new ATOM 0 HB2 SER A 3 6.273 -9.569 -1.420 1.00 0.00 H new ATOM 0 HB3 SER A 3 7.394 -8.227 -1.307 1.00 0.00 H new ATOM 0 HG SER A 3 7.974 -9.716 -2.987 1.00 0.00 H new ATOM 30 N GLY A 4 7.894 -12.057 -0.079 1.00 0.00 N ATOM 31 CA GLY A 4 7.584 -13.464 0.100 1.00 0.00 C ATOM 32 C GLY A 4 6.483 -13.937 -0.827 1.00 0.00 C ATOM 33 O GLY A 4 5.301 -13.861 -0.490 1.00 0.00 O ATOM 0 H GLY A 4 8.680 -11.867 -0.701 1.00 0.00 H new ATOM 0 HA2 GLY A 4 8.482 -14.056 -0.076 1.00 0.00 H new ATOM 0 HA3 GLY A 4 7.285 -13.638 1.133 1.00 0.00 H new ATOM 37 N SER A 5 6.869 -14.427 -2.001 1.00 0.00 N ATOM 38 CA SER A 5 5.904 -14.909 -2.984 1.00 0.00 C ATOM 39 C SER A 5 4.885 -15.838 -2.332 1.00 0.00 C ATOM 40 O SER A 5 5.174 -17.004 -2.061 1.00 0.00 O ATOM 41 CB SER A 5 6.624 -15.638 -4.119 1.00 0.00 C ATOM 42 OG SER A 5 5.700 -16.302 -4.965 1.00 0.00 O ATOM 0 H SER A 5 7.843 -14.501 -2.295 1.00 0.00 H new ATOM 0 HA SER A 5 5.375 -14.048 -3.393 1.00 0.00 H new ATOM 0 HB2 SER A 5 7.208 -14.925 -4.701 1.00 0.00 H new ATOM 0 HB3 SER A 5 7.326 -16.361 -3.704 1.00 0.00 H new ATOM 0 HG SER A 5 6.185 -16.759 -5.684 1.00 0.00 H new ATOM 48 N SER A 6 3.689 -15.312 -2.083 1.00 0.00 N ATOM 49 CA SER A 6 2.626 -16.092 -1.460 1.00 0.00 C ATOM 50 C SER A 6 1.305 -15.332 -1.492 1.00 0.00 C ATOM 51 O SER A 6 1.152 -14.301 -0.838 1.00 0.00 O ATOM 52 CB SER A 6 2.996 -16.435 -0.016 1.00 0.00 C ATOM 53 OG SER A 6 2.927 -15.287 0.814 1.00 0.00 O ATOM 0 H SER A 6 3.433 -14.350 -2.303 1.00 0.00 H new ATOM 0 HA SER A 6 2.507 -17.016 -2.026 1.00 0.00 H new ATOM 0 HB2 SER A 6 2.322 -17.203 0.363 1.00 0.00 H new ATOM 0 HB3 SER A 6 4.003 -16.851 0.016 1.00 0.00 H new ATOM 0 HG SER A 6 2.495 -14.556 0.325 1.00 0.00 H new ATOM 59 N GLY A 7 0.349 -15.850 -2.260 1.00 0.00 N ATOM 60 CA GLY A 7 -0.947 -15.207 -2.365 1.00 0.00 C ATOM 61 C GLY A 7 -0.925 -14.000 -3.281 1.00 0.00 C ATOM 62 O GLY A 7 0.011 -13.799 -4.055 1.00 0.00 O ATOM 0 H GLY A 7 0.450 -16.703 -2.810 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -1.677 -15.927 -2.736 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -1.278 -14.900 -1.373 1.00 0.00 H new ATOM 66 N PRO A 8 -1.976 -13.171 -3.200 1.00 0.00 N ATOM 67 CA PRO A 8 -2.097 -11.964 -4.023 1.00 0.00 C ATOM 68 C PRO A 8 -1.094 -10.887 -3.624 1.00 0.00 C ATOM 69 O PRO A 8 -0.757 -10.743 -2.448 1.00 0.00 O ATOM 70 CB PRO A 8 -3.527 -11.489 -3.749 1.00 0.00 C ATOM 71 CG PRO A 8 -3.856 -12.037 -2.403 1.00 0.00 C ATOM 72 CD PRO A 8 -3.128 -13.349 -2.300 1.00 0.00 C ATOM 0 HA PRO A 8 -1.894 -12.167 -5.075 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -3.592 -10.401 -3.760 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -4.219 -11.857 -4.507 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -3.540 -11.353 -1.615 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -4.931 -12.178 -2.291 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -2.811 -13.554 -1.277 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -3.757 -14.183 -2.612 1.00 0.00 H new ATOM 80 N LYS A 9 -0.620 -10.132 -4.609 1.00 0.00 N ATOM 81 CA LYS A 9 0.346 -9.067 -4.361 1.00 0.00 C ATOM 82 C LYS A 9 -0.363 -7.764 -4.007 1.00 0.00 C ATOM 83 O LYS A 9 -1.036 -7.164 -4.843 1.00 0.00 O ATOM 84 CB LYS A 9 1.234 -8.859 -5.590 1.00 0.00 C ATOM 85 CG LYS A 9 2.220 -7.713 -5.441 1.00 0.00 C ATOM 86 CD LYS A 9 3.535 -8.184 -4.844 1.00 0.00 C ATOM 87 CE LYS A 9 4.379 -8.925 -5.870 1.00 0.00 C ATOM 88 NZ LYS A 9 5.339 -9.863 -5.225 1.00 0.00 N ATOM 0 H LYS A 9 -0.889 -10.238 -5.587 1.00 0.00 H new ATOM 0 HA LYS A 9 0.969 -9.364 -3.517 1.00 0.00 H new ATOM 0 HB2 LYS A 9 1.785 -9.778 -5.789 1.00 0.00 H new ATOM 0 HB3 LYS A 9 0.601 -8.672 -6.458 1.00 0.00 H new ATOM 0 HG2 LYS A 9 2.403 -7.260 -6.415 1.00 0.00 H new ATOM 0 HG3 LYS A 9 1.787 -6.940 -4.806 1.00 0.00 H new ATOM 0 HD2 LYS A 9 4.091 -7.327 -4.464 1.00 0.00 H new ATOM 0 HD3 LYS A 9 3.337 -8.837 -3.994 1.00 0.00 H new ATOM 0 HE2 LYS A 9 3.727 -9.480 -6.544 1.00 0.00 H new ATOM 0 HE3 LYS A 9 4.927 -8.205 -6.477 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 5.895 -10.348 -5.957 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 5.978 -9.331 -4.601 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 4.815 -10.566 -4.666 1.00 0.00 H new ATOM 102 N ALA A 10 -0.206 -7.330 -2.760 1.00 0.00 N ATOM 103 CA ALA A 10 -0.828 -6.097 -2.296 1.00 0.00 C ATOM 104 C ALA A 10 -0.601 -4.961 -3.287 1.00 0.00 C ATOM 105 O ALA A 10 0.515 -4.470 -3.462 1.00 0.00 O ATOM 106 CB ALA A 10 -0.289 -5.717 -0.924 1.00 0.00 C ATOM 0 H ALA A 10 0.347 -7.815 -2.053 1.00 0.00 H new ATOM 0 HA ALA A 10 -1.902 -6.268 -2.218 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -0.763 -4.794 -0.590 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -0.507 -6.514 -0.214 1.00 0.00 H new ATOM 0 HB3 ALA A 10 0.789 -5.570 -0.985 1.00 0.00 H new ATOM 112 N PRO A 11 -1.682 -4.532 -3.955 1.00 0.00 N ATOM 113 CA PRO A 11 -1.626 -3.450 -4.942 1.00 0.00 C ATOM 114 C PRO A 11 -1.365 -2.092 -4.298 1.00 0.00 C ATOM 115 O PRO A 11 -1.425 -1.951 -3.077 1.00 0.00 O ATOM 116 CB PRO A 11 -3.017 -3.480 -5.582 1.00 0.00 C ATOM 117 CG PRO A 11 -3.898 -4.084 -4.544 1.00 0.00 C ATOM 118 CD PRO A 11 -3.043 -5.072 -3.799 1.00 0.00 C ATOM 0 HA PRO A 11 -0.812 -3.589 -5.653 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -3.351 -2.478 -5.850 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -3.019 -4.073 -6.497 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -4.288 -3.320 -3.871 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -4.757 -4.577 -5.000 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -3.330 -5.141 -2.750 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -3.128 -6.074 -4.219 1.00 0.00 H new ATOM 126 N VAL A 12 -1.075 -1.095 -5.127 1.00 0.00 N ATOM 127 CA VAL A 12 -0.806 0.252 -4.640 1.00 0.00 C ATOM 128 C VAL A 12 -2.074 1.098 -4.634 1.00 0.00 C ATOM 129 O VAL A 12 -2.809 1.142 -5.622 1.00 0.00 O ATOM 130 CB VAL A 12 0.264 0.956 -5.495 1.00 0.00 C ATOM 131 CG1 VAL A 12 1.570 0.178 -5.463 1.00 0.00 C ATOM 132 CG2 VAL A 12 -0.228 1.131 -6.924 1.00 0.00 C ATOM 0 H VAL A 12 -1.020 -1.195 -6.141 1.00 0.00 H new ATOM 0 HA VAL A 12 -0.435 0.151 -3.620 1.00 0.00 H new ATOM 0 HB VAL A 12 0.448 1.945 -5.075 1.00 0.00 H new ATOM 0 HG11 VAL A 12 2.314 0.691 -6.073 1.00 0.00 H new ATOM 0 HG12 VAL A 12 1.928 0.109 -4.436 1.00 0.00 H new ATOM 0 HG13 VAL A 12 1.406 -0.825 -5.858 1.00 0.00 H new ATOM 0 HG21 VAL A 12 0.540 1.630 -7.515 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -0.441 0.154 -7.358 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -1.136 1.735 -6.925 1.00 0.00 H new ATOM 142 N THR A 13 -2.326 1.770 -3.516 1.00 0.00 N ATOM 143 CA THR A 13 -3.507 2.615 -3.380 1.00 0.00 C ATOM 144 C THR A 13 -3.344 3.916 -4.158 1.00 0.00 C ATOM 145 O THR A 13 -2.227 4.330 -4.466 1.00 0.00 O ATOM 146 CB THR A 13 -3.795 2.946 -1.904 1.00 0.00 C ATOM 147 OG1 THR A 13 -5.074 3.577 -1.784 1.00 0.00 O ATOM 148 CG2 THR A 13 -2.718 3.855 -1.333 1.00 0.00 C ATOM 0 H THR A 13 -1.728 1.746 -2.690 1.00 0.00 H new ATOM 0 HA THR A 13 -4.346 2.052 -3.788 1.00 0.00 H new ATOM 0 HB THR A 13 -3.797 2.014 -1.339 1.00 0.00 H new ATOM 0 HG1 THR A 13 -5.250 3.783 -0.842 1.00 0.00 H new ATOM 0 HG21 THR A 13 -2.943 4.075 -0.289 1.00 0.00 H new ATOM 0 HG22 THR A 13 -1.750 3.358 -1.398 1.00 0.00 H new ATOM 0 HG23 THR A 13 -2.688 4.785 -1.901 1.00 0.00 H new ATOM 156 N GLY A 14 -4.465 4.557 -4.472 1.00 0.00 N ATOM 157 CA GLY A 14 -4.424 5.805 -5.210 1.00 0.00 C ATOM 158 C GLY A 14 -3.276 6.697 -4.780 1.00 0.00 C ATOM 159 O GLY A 14 -2.677 7.390 -5.601 1.00 0.00 O ATOM 0 H GLY A 14 -5.401 4.234 -4.228 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -4.334 5.591 -6.275 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -5.365 6.337 -5.070 1.00 0.00 H new ATOM 163 N TYR A 15 -2.969 6.680 -3.487 1.00 0.00 N ATOM 164 CA TYR A 15 -1.889 7.497 -2.948 1.00 0.00 C ATOM 165 C TYR A 15 -0.544 7.076 -3.533 1.00 0.00 C ATOM 166 O TYR A 15 0.129 7.860 -4.201 1.00 0.00 O ATOM 167 CB TYR A 15 -1.850 7.386 -1.423 1.00 0.00 C ATOM 168 CG TYR A 15 -0.819 8.283 -0.776 1.00 0.00 C ATOM 169 CD1 TYR A 15 -0.600 9.573 -1.244 1.00 0.00 C ATOM 170 CD2 TYR A 15 -0.064 7.841 0.304 1.00 0.00 C ATOM 171 CE1 TYR A 15 0.341 10.396 -0.657 1.00 0.00 C ATOM 172 CE2 TYR A 15 0.879 8.657 0.898 1.00 0.00 C ATOM 173 CZ TYR A 15 1.078 9.933 0.414 1.00 0.00 C ATOM 174 OH TYR A 15 2.016 10.751 1.002 1.00 0.00 O ATOM 0 H TYR A 15 -3.453 6.109 -2.794 1.00 0.00 H new ATOM 0 HA TYR A 15 -2.078 8.534 -3.226 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -2.834 7.631 -1.024 1.00 0.00 H new ATOM 0 HB3 TYR A 15 -1.643 6.352 -1.148 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -1.176 9.938 -2.081 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -0.217 6.842 0.685 1.00 0.00 H new ATOM 0 HE1 TYR A 15 0.499 11.396 -1.034 1.00 0.00 H new ATOM 0 HE2 TYR A 15 1.457 8.298 1.737 1.00 0.00 H new ATOM 0 HH TYR A 15 2.447 10.275 1.743 1.00 0.00 H new ATOM 184 N VAL A 16 -0.158 5.829 -3.277 1.00 0.00 N ATOM 185 CA VAL A 16 1.104 5.301 -3.778 1.00 0.00 C ATOM 186 C VAL A 16 1.128 5.288 -5.303 1.00 0.00 C ATOM 187 O VAL A 16 2.036 5.840 -5.925 1.00 0.00 O ATOM 188 CB VAL A 16 1.362 3.874 -3.260 1.00 0.00 C ATOM 189 CG1 VAL A 16 2.630 3.302 -3.875 1.00 0.00 C ATOM 190 CG2 VAL A 16 1.445 3.866 -1.740 1.00 0.00 C ATOM 0 H VAL A 16 -0.703 5.166 -2.725 1.00 0.00 H new ATOM 0 HA VAL A 16 1.890 5.960 -3.410 1.00 0.00 H new ATOM 0 HB VAL A 16 0.526 3.241 -3.559 1.00 0.00 H new ATOM 0 HG11 VAL A 16 2.795 2.293 -3.496 1.00 0.00 H new ATOM 0 HG12 VAL A 16 2.526 3.270 -4.960 1.00 0.00 H new ATOM 0 HG13 VAL A 16 3.479 3.932 -3.610 1.00 0.00 H new ATOM 0 HG21 VAL A 16 1.628 2.850 -1.391 1.00 0.00 H new ATOM 0 HG22 VAL A 16 2.261 4.513 -1.417 1.00 0.00 H new ATOM 0 HG23 VAL A 16 0.506 4.230 -1.322 1.00 0.00 H new ATOM 200 N ARG A 17 0.123 4.655 -5.899 1.00 0.00 N ATOM 201 CA ARG A 17 0.028 4.570 -7.351 1.00 0.00 C ATOM 202 C ARG A 17 0.553 5.844 -8.006 1.00 0.00 C ATOM 203 O ARG A 17 1.453 5.798 -8.844 1.00 0.00 O ATOM 204 CB ARG A 17 -1.422 4.325 -7.776 1.00 0.00 C ATOM 205 CG ARG A 17 -1.552 3.545 -9.073 1.00 0.00 C ATOM 206 CD ARG A 17 -3.008 3.397 -9.490 1.00 0.00 C ATOM 207 NE ARG A 17 -3.140 3.053 -10.903 1.00 0.00 N ATOM 208 CZ ARG A 17 -2.786 3.864 -11.893 1.00 0.00 C ATOM 209 NH1 ARG A 17 -2.281 5.060 -11.627 1.00 0.00 N ATOM 210 NH2 ARG A 17 -2.938 3.479 -13.154 1.00 0.00 N ATOM 0 H ARG A 17 -0.637 4.194 -5.399 1.00 0.00 H new ATOM 0 HA ARG A 17 0.642 3.732 -7.681 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -1.938 3.784 -6.983 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -1.926 5.285 -7.887 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -0.996 4.052 -9.861 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -1.105 2.558 -8.952 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -3.482 2.626 -8.883 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -3.538 4.329 -9.293 1.00 0.00 H new ATOM 0 HE ARG A 17 -3.525 2.140 -11.143 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -2.163 5.360 -10.659 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -2.010 5.680 -12.390 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -3.327 2.560 -13.363 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -2.666 4.103 -13.914 1.00 0.00 H new ATOM 224 N PHE A 18 -0.017 6.980 -7.619 1.00 0.00 N ATOM 225 CA PHE A 18 0.391 8.267 -8.170 1.00 0.00 C ATOM 226 C PHE A 18 1.838 8.581 -7.800 1.00 0.00 C ATOM 227 O PHE A 18 2.586 9.146 -8.600 1.00 0.00 O ATOM 228 CB PHE A 18 -0.530 9.378 -7.662 1.00 0.00 C ATOM 229 CG PHE A 18 0.126 10.729 -7.622 1.00 0.00 C ATOM 230 CD1 PHE A 18 1.041 11.041 -6.629 1.00 0.00 C ATOM 231 CD2 PHE A 18 -0.173 11.687 -8.578 1.00 0.00 C ATOM 232 CE1 PHE A 18 1.647 12.283 -6.590 1.00 0.00 C ATOM 233 CE2 PHE A 18 0.431 12.931 -8.544 1.00 0.00 C ATOM 234 CZ PHE A 18 1.340 13.230 -7.548 1.00 0.00 C ATOM 0 H PHE A 18 -0.763 7.036 -6.926 1.00 0.00 H new ATOM 0 HA PHE A 18 0.315 8.211 -9.256 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -1.411 9.430 -8.302 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -0.877 9.122 -6.661 1.00 0.00 H new ATOM 0 HD1 PHE A 18 1.284 10.305 -5.877 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -0.885 11.460 -9.358 1.00 0.00 H new ATOM 0 HE1 PHE A 18 2.360 12.513 -5.812 1.00 0.00 H new ATOM 0 HE2 PHE A 18 0.192 13.668 -9.296 1.00 0.00 H new ATOM 0 HZ PHE A 18 1.810 14.202 -7.518 1.00 0.00 H new ATOM 244 N LEU A 19 2.225 8.213 -6.585 1.00 0.00 N ATOM 245 CA LEU A 19 3.583 8.456 -6.107 1.00 0.00 C ATOM 246 C LEU A 19 4.601 7.710 -6.963 1.00 0.00 C ATOM 247 O LEU A 19 5.689 8.217 -7.232 1.00 0.00 O ATOM 248 CB LEU A 19 3.714 8.026 -4.645 1.00 0.00 C ATOM 249 CG LEU A 19 3.351 9.081 -3.600 1.00 0.00 C ATOM 250 CD1 LEU A 19 3.049 8.425 -2.262 1.00 0.00 C ATOM 251 CD2 LEU A 19 4.474 10.098 -3.455 1.00 0.00 C ATOM 0 H LEU A 19 1.619 7.745 -5.911 1.00 0.00 H new ATOM 0 HA LEU A 19 3.785 9.524 -6.184 1.00 0.00 H new ATOM 0 HB2 LEU A 19 3.081 7.153 -4.486 1.00 0.00 H new ATOM 0 HB3 LEU A 19 4.743 7.710 -4.471 1.00 0.00 H new ATOM 0 HG LEU A 19 2.456 9.604 -3.936 1.00 0.00 H new ATOM 0 HD11 LEU A 19 2.793 9.191 -1.531 1.00 0.00 H new ATOM 0 HD12 LEU A 19 2.211 7.737 -2.375 1.00 0.00 H new ATOM 0 HD13 LEU A 19 3.926 7.876 -1.920 1.00 0.00 H new ATOM 0 HD21 LEU A 19 4.198 10.841 -2.707 1.00 0.00 H new ATOM 0 HD22 LEU A 19 5.386 9.590 -3.142 1.00 0.00 H new ATOM 0 HD23 LEU A 19 4.643 10.592 -4.412 1.00 0.00 H new ATOM 263 N ASN A 20 4.240 6.505 -7.388 1.00 0.00 N ATOM 264 CA ASN A 20 5.123 5.690 -8.216 1.00 0.00 C ATOM 265 C ASN A 20 5.310 6.317 -9.594 1.00 0.00 C ATOM 266 O ASN A 20 6.433 6.601 -10.009 1.00 0.00 O ATOM 267 CB ASN A 20 4.558 4.274 -8.360 1.00 0.00 C ATOM 268 CG ASN A 20 4.827 3.418 -7.138 1.00 0.00 C ATOM 269 OD1 ASN A 20 5.833 3.595 -6.452 1.00 0.00 O ATOM 270 ND2 ASN A 20 3.924 2.483 -6.861 1.00 0.00 N ATOM 0 H ASN A 20 3.343 6.070 -7.173 1.00 0.00 H new ATOM 0 HA ASN A 20 6.095 5.639 -7.725 1.00 0.00 H new ATOM 0 HB2 ASN A 20 3.483 4.330 -8.531 1.00 0.00 H new ATOM 0 HB3 ASN A 20 4.996 3.798 -9.237 1.00 0.00 H new ATOM 0 HD21 ASN A 20 4.050 1.876 -6.051 1.00 0.00 H new ATOM 0 HD22 ASN A 20 3.105 2.372 -7.458 1.00 0.00 H new ATOM 277 N GLU A 21 4.201 6.531 -10.296 1.00 0.00 N ATOM 278 CA GLU A 21 4.245 7.125 -11.627 1.00 0.00 C ATOM 279 C GLU A 21 5.047 8.423 -11.619 1.00 0.00 C ATOM 280 O GLU A 21 5.953 8.611 -12.431 1.00 0.00 O ATOM 281 CB GLU A 21 2.827 7.392 -12.137 1.00 0.00 C ATOM 282 CG GLU A 21 2.749 7.596 -13.640 1.00 0.00 C ATOM 283 CD GLU A 21 3.070 6.335 -14.419 1.00 0.00 C ATOM 284 OE1 GLU A 21 2.275 5.374 -14.343 1.00 0.00 O ATOM 285 OE2 GLU A 21 4.115 6.307 -15.100 1.00 0.00 O ATOM 0 H GLU A 21 3.263 6.302 -9.966 1.00 0.00 H new ATOM 0 HA GLU A 21 4.738 6.419 -12.295 1.00 0.00 H new ATOM 0 HB2 GLU A 21 2.186 6.555 -11.859 1.00 0.00 H new ATOM 0 HB3 GLU A 21 2.431 8.276 -11.638 1.00 0.00 H new ATOM 0 HG2 GLU A 21 1.748 7.937 -13.905 1.00 0.00 H new ATOM 0 HG3 GLU A 21 3.442 8.385 -13.932 1.00 0.00 H new ATOM 292 N ARG A 22 4.707 9.316 -10.694 1.00 0.00 N ATOM 293 CA ARG A 22 5.393 10.596 -10.581 1.00 0.00 C ATOM 294 C ARG A 22 6.855 10.397 -10.192 1.00 0.00 C ATOM 295 O ARG A 22 7.755 10.973 -10.804 1.00 0.00 O ATOM 296 CB ARG A 22 4.696 11.482 -9.547 1.00 0.00 C ATOM 297 CG ARG A 22 3.427 12.140 -10.065 1.00 0.00 C ATOM 298 CD ARG A 22 3.736 13.404 -10.853 1.00 0.00 C ATOM 299 NE ARG A 22 2.577 13.880 -11.602 1.00 0.00 N ATOM 300 CZ ARG A 22 2.657 14.722 -12.626 1.00 0.00 C ATOM 301 NH1 ARG A 22 3.838 15.178 -13.021 1.00 0.00 N ATOM 302 NH2 ARG A 22 1.557 15.110 -13.257 1.00 0.00 N ATOM 0 H ARG A 22 3.961 9.175 -10.013 1.00 0.00 H new ATOM 0 HA ARG A 22 5.357 11.086 -11.554 1.00 0.00 H new ATOM 0 HB2 ARG A 22 4.452 10.881 -8.671 1.00 0.00 H new ATOM 0 HB3 ARG A 22 5.389 12.257 -9.219 1.00 0.00 H new ATOM 0 HG2 ARG A 22 2.885 11.438 -10.699 1.00 0.00 H new ATOM 0 HG3 ARG A 22 2.774 12.383 -9.227 1.00 0.00 H new ATOM 0 HD2 ARG A 22 4.071 14.184 -10.170 1.00 0.00 H new ATOM 0 HD3 ARG A 22 4.558 13.210 -11.542 1.00 0.00 H new ATOM 0 HE ARG A 22 1.654 13.547 -11.323 1.00 0.00 H new ATOM 0 HH11 ARG A 22 4.686 14.882 -12.538 1.00 0.00 H new ATOM 0 HH12 ARG A 22 3.898 15.825 -13.808 1.00 0.00 H new ATOM 0 HH21 ARG A 22 0.647 14.762 -12.956 1.00 0.00 H new ATOM 0 HH22 ARG A 22 1.621 15.757 -14.043 1.00 0.00 H new ATOM 316 N ARG A 23 7.083 9.579 -9.169 1.00 0.00 N ATOM 317 CA ARG A 23 8.436 9.305 -8.697 1.00 0.00 C ATOM 318 C ARG A 23 9.417 9.248 -9.864 1.00 0.00 C ATOM 319 O ARG A 23 10.394 9.995 -9.902 1.00 0.00 O ATOM 320 CB ARG A 23 8.471 7.987 -7.922 1.00 0.00 C ATOM 321 CG ARG A 23 9.873 7.542 -7.540 1.00 0.00 C ATOM 322 CD ARG A 23 10.492 6.668 -8.620 1.00 0.00 C ATOM 323 NE ARG A 23 11.658 5.936 -8.129 1.00 0.00 N ATOM 324 CZ ARG A 23 11.585 4.942 -7.251 1.00 0.00 C ATOM 325 NH1 ARG A 23 10.409 4.561 -6.771 1.00 0.00 N ATOM 326 NH2 ARG A 23 12.691 4.324 -6.854 1.00 0.00 N ATOM 0 H ARG A 23 6.349 9.095 -8.652 1.00 0.00 H new ATOM 0 HA ARG A 23 8.734 10.117 -8.033 1.00 0.00 H new ATOM 0 HB2 ARG A 23 7.873 8.092 -7.017 1.00 0.00 H new ATOM 0 HB3 ARG A 23 8.003 7.208 -8.525 1.00 0.00 H new ATOM 0 HG2 ARG A 23 10.501 8.417 -7.374 1.00 0.00 H new ATOM 0 HG3 ARG A 23 9.838 6.991 -6.600 1.00 0.00 H new ATOM 0 HD2 ARG A 23 9.747 5.961 -8.985 1.00 0.00 H new ATOM 0 HD3 ARG A 23 10.784 7.290 -9.467 1.00 0.00 H new ATOM 0 HE ARG A 23 12.578 6.203 -8.480 1.00 0.00 H new ATOM 0 HH11 ARG A 23 9.557 5.032 -7.076 1.00 0.00 H new ATOM 0 HH12 ARG A 23 10.356 3.797 -6.097 1.00 0.00 H new ATOM 0 HH21 ARG A 23 13.597 4.613 -7.223 1.00 0.00 H new ATOM 0 HH22 ARG A 23 12.635 3.561 -6.180 1.00 0.00 H new ATOM 340 N GLU A 24 9.150 8.356 -10.812 1.00 0.00 N ATOM 341 CA GLU A 24 10.011 8.200 -11.978 1.00 0.00 C ATOM 342 C GLU A 24 10.308 9.552 -12.620 1.00 0.00 C ATOM 343 O GLU A 24 11.459 9.871 -12.915 1.00 0.00 O ATOM 344 CB GLU A 24 9.358 7.270 -13.003 1.00 0.00 C ATOM 345 CG GLU A 24 10.114 7.185 -14.318 1.00 0.00 C ATOM 346 CD GLU A 24 11.166 6.094 -14.317 1.00 0.00 C ATOM 347 OE1 GLU A 24 10.795 4.910 -14.172 1.00 0.00 O ATOM 348 OE2 GLU A 24 12.362 6.425 -14.462 1.00 0.00 O ATOM 0 H GLU A 24 8.345 7.730 -10.796 1.00 0.00 H new ATOM 0 HA GLU A 24 10.951 7.760 -11.646 1.00 0.00 H new ATOM 0 HB2 GLU A 24 9.278 6.271 -12.575 1.00 0.00 H new ATOM 0 HB3 GLU A 24 8.343 7.615 -13.199 1.00 0.00 H new ATOM 0 HG2 GLU A 24 9.407 7.002 -15.128 1.00 0.00 H new ATOM 0 HG3 GLU A 24 10.591 8.144 -14.521 1.00 0.00 H new ATOM 355 N GLN A 25 9.260 10.342 -12.832 1.00 0.00 N ATOM 356 CA GLN A 25 9.407 11.659 -13.440 1.00 0.00 C ATOM 357 C GLN A 25 10.448 12.489 -12.695 1.00 0.00 C ATOM 358 O GLN A 25 11.197 13.254 -13.304 1.00 0.00 O ATOM 359 CB GLN A 25 8.065 12.393 -13.450 1.00 0.00 C ATOM 360 CG GLN A 25 7.013 11.725 -14.320 1.00 0.00 C ATOM 361 CD GLN A 25 7.108 12.141 -15.775 1.00 0.00 C ATOM 362 OE1 GLN A 25 7.041 13.327 -16.099 1.00 0.00 O ATOM 363 NE2 GLN A 25 7.266 11.164 -16.661 1.00 0.00 N ATOM 0 H GLN A 25 8.301 10.093 -12.592 1.00 0.00 H new ATOM 0 HA GLN A 25 9.745 11.521 -14.467 1.00 0.00 H new ATOM 0 HB2 GLN A 25 7.690 12.461 -12.429 1.00 0.00 H new ATOM 0 HB3 GLN A 25 8.221 13.413 -13.801 1.00 0.00 H new ATOM 0 HG2 GLN A 25 7.121 10.643 -14.248 1.00 0.00 H new ATOM 0 HG3 GLN A 25 6.022 11.972 -13.939 1.00 0.00 H new ATOM 0 HE21 GLN A 25 7.316 10.195 -16.348 1.00 0.00 H new ATOM 0 HE22 GLN A 25 7.337 11.383 -17.655 1.00 0.00 H new ATOM 372 N ILE A 26 10.489 12.332 -11.377 1.00 0.00 N ATOM 373 CA ILE A 26 11.439 13.066 -10.550 1.00 0.00 C ATOM 374 C ILE A 26 12.861 12.555 -10.761 1.00 0.00 C ATOM 375 O ILE A 26 13.771 13.328 -11.062 1.00 0.00 O ATOM 376 CB ILE A 26 11.084 12.959 -9.055 1.00 0.00 C ATOM 377 CG1 ILE A 26 9.638 13.402 -8.820 1.00 0.00 C ATOM 378 CG2 ILE A 26 12.042 13.798 -8.223 1.00 0.00 C ATOM 379 CD1 ILE A 26 9.372 14.835 -9.222 1.00 0.00 C ATOM 0 H ILE A 26 9.876 11.703 -10.858 1.00 0.00 H new ATOM 0 HA ILE A 26 11.382 14.111 -10.855 1.00 0.00 H new ATOM 0 HB ILE A 26 11.181 11.918 -8.746 1.00 0.00 H new ATOM 0 HG12 ILE A 26 8.970 12.746 -9.379 1.00 0.00 H new ATOM 0 HG13 ILE A 26 9.396 13.278 -7.764 1.00 0.00 H new ATOM 0 HG21 ILE A 26 11.779 13.713 -7.169 1.00 0.00 H new ATOM 0 HG22 ILE A 26 13.061 13.442 -8.373 1.00 0.00 H new ATOM 0 HG23 ILE A 26 11.973 14.841 -8.531 1.00 0.00 H new ATOM 0 HD11 ILE A 26 8.328 15.080 -9.028 1.00 0.00 H new ATOM 0 HD12 ILE A 26 10.014 15.500 -8.645 1.00 0.00 H new ATOM 0 HD13 ILE A 26 9.582 14.960 -10.284 1.00 0.00 H new ATOM 391 N ARG A 27 13.045 11.249 -10.601 1.00 0.00 N ATOM 392 CA ARG A 27 14.355 10.635 -10.774 1.00 0.00 C ATOM 393 C ARG A 27 15.069 11.212 -11.992 1.00 0.00 C ATOM 394 O ARG A 27 16.278 11.447 -11.965 1.00 0.00 O ATOM 395 CB ARG A 27 14.215 9.118 -10.923 1.00 0.00 C ATOM 396 CG ARG A 27 14.067 8.387 -9.599 1.00 0.00 C ATOM 397 CD ARG A 27 15.387 8.325 -8.846 1.00 0.00 C ATOM 398 NE ARG A 27 16.337 7.415 -9.481 1.00 0.00 N ATOM 399 CZ ARG A 27 16.262 6.093 -9.389 1.00 0.00 C ATOM 400 NH1 ARG A 27 15.287 5.528 -8.690 1.00 0.00 N ATOM 401 NH2 ARG A 27 17.164 5.332 -9.996 1.00 0.00 N ATOM 0 H ARG A 27 12.303 10.595 -10.352 1.00 0.00 H new ATOM 0 HA ARG A 27 14.951 10.853 -9.888 1.00 0.00 H new ATOM 0 HB2 ARG A 27 13.348 8.901 -11.547 1.00 0.00 H new ATOM 0 HB3 ARG A 27 15.089 8.731 -11.446 1.00 0.00 H new ATOM 0 HG2 ARG A 27 13.320 8.891 -8.985 1.00 0.00 H new ATOM 0 HG3 ARG A 27 13.702 7.376 -9.779 1.00 0.00 H new ATOM 0 HD2 ARG A 27 15.821 9.323 -8.793 1.00 0.00 H new ATOM 0 HD3 ARG A 27 15.205 8.002 -7.821 1.00 0.00 H new ATOM 0 HE ARG A 27 17.100 7.818 -10.025 1.00 0.00 H new ATOM 0 HH11 ARG A 27 14.592 6.110 -8.221 1.00 0.00 H new ATOM 0 HH12 ARG A 27 15.232 4.512 -8.621 1.00 0.00 H new ATOM 0 HH21 ARG A 27 17.916 5.763 -10.534 1.00 0.00 H new ATOM 0 HH22 ARG A 27 17.105 4.316 -9.925 1.00 0.00 H new ATOM 415 N THR A 28 14.314 11.440 -13.063 1.00 0.00 N ATOM 416 CA THR A 28 14.875 11.988 -14.291 1.00 0.00 C ATOM 417 C THR A 28 15.423 13.392 -14.067 1.00 0.00 C ATOM 418 O THR A 28 16.519 13.720 -14.524 1.00 0.00 O ATOM 419 CB THR A 28 13.823 12.035 -15.417 1.00 0.00 C ATOM 420 OG1 THR A 28 13.138 10.780 -15.499 1.00 0.00 O ATOM 421 CG2 THR A 28 14.476 12.351 -16.753 1.00 0.00 C ATOM 0 H THR A 28 13.312 11.253 -13.104 1.00 0.00 H new ATOM 0 HA THR A 28 15.688 11.326 -14.589 1.00 0.00 H new ATOM 0 HB THR A 28 13.108 12.824 -15.185 1.00 0.00 H new ATOM 0 HG1 THR A 28 12.470 10.818 -16.215 1.00 0.00 H new ATOM 0 HG21 THR A 28 13.715 12.379 -17.533 1.00 0.00 H new ATOM 0 HG22 THR A 28 14.972 13.320 -16.695 1.00 0.00 H new ATOM 0 HG23 THR A 28 15.210 11.581 -16.990 1.00 0.00 H new ATOM 429 N ARG A 29 14.658 14.216 -13.358 1.00 0.00 N ATOM 430 CA ARG A 29 15.069 15.585 -13.073 1.00 0.00 C ATOM 431 C ARG A 29 16.193 15.612 -12.041 1.00 0.00 C ATOM 432 O ARG A 29 17.253 16.193 -12.277 1.00 0.00 O ATOM 433 CB ARG A 29 13.879 16.402 -12.568 1.00 0.00 C ATOM 434 CG ARG A 29 12.931 16.845 -13.672 1.00 0.00 C ATOM 435 CD ARG A 29 11.512 17.013 -13.154 1.00 0.00 C ATOM 436 NE ARG A 29 11.263 18.368 -12.670 1.00 0.00 N ATOM 437 CZ ARG A 29 10.075 18.793 -12.253 1.00 0.00 C ATOM 438 NH1 ARG A 29 9.033 17.972 -12.262 1.00 0.00 N ATOM 439 NH2 ARG A 29 9.928 20.041 -11.826 1.00 0.00 N ATOM 0 H ARG A 29 13.750 13.959 -12.971 1.00 0.00 H new ATOM 0 HA ARG A 29 15.438 16.027 -13.998 1.00 0.00 H new ATOM 0 HB2 ARG A 29 13.324 15.809 -11.841 1.00 0.00 H new ATOM 0 HB3 ARG A 29 14.250 17.283 -12.044 1.00 0.00 H new ATOM 0 HG2 ARG A 29 13.279 17.787 -14.095 1.00 0.00 H new ATOM 0 HG3 ARG A 29 12.941 16.111 -14.478 1.00 0.00 H new ATOM 0 HD2 ARG A 29 10.805 16.777 -13.950 1.00 0.00 H new ATOM 0 HD3 ARG A 29 11.334 16.302 -12.348 1.00 0.00 H new ATOM 0 HE ARG A 29 12.044 19.024 -12.651 1.00 0.00 H new ATOM 0 HH11 ARG A 29 9.143 17.012 -12.589 1.00 0.00 H new ATOM 0 HH12 ARG A 29 8.122 18.301 -11.941 1.00 0.00 H new ATOM 0 HH21 ARG A 29 10.727 20.675 -11.818 1.00 0.00 H new ATOM 0 HH22 ARG A 29 9.016 20.366 -11.506 1.00 0.00 H new ATOM 453 N HIS A 30 15.953 14.979 -10.897 1.00 0.00 N ATOM 454 CA HIS A 30 16.946 14.930 -9.829 1.00 0.00 C ATOM 455 C HIS A 30 17.317 13.488 -9.498 1.00 0.00 C ATOM 456 O HIS A 30 16.813 12.894 -8.545 1.00 0.00 O ATOM 457 CB HIS A 30 16.414 15.631 -8.579 1.00 0.00 C ATOM 458 CG HIS A 30 15.609 16.858 -8.876 1.00 0.00 C ATOM 459 ND1 HIS A 30 16.159 18.121 -8.943 1.00 0.00 N ATOM 460 CD2 HIS A 30 14.287 17.012 -9.127 1.00 0.00 C ATOM 461 CE1 HIS A 30 15.210 18.999 -9.221 1.00 0.00 C ATOM 462 NE2 HIS A 30 14.065 18.350 -9.339 1.00 0.00 N ATOM 0 H HIS A 30 15.081 14.494 -10.686 1.00 0.00 H new ATOM 0 HA HIS A 30 17.841 15.447 -10.174 1.00 0.00 H new ATOM 0 HB2 HIS A 30 15.798 14.931 -8.014 1.00 0.00 H new ATOM 0 HB3 HIS A 30 17.254 15.904 -7.940 1.00 0.00 H new ATOM 0 HD2 HIS A 30 13.545 16.228 -9.155 1.00 0.00 H new ATOM 0 HE1 HIS A 30 15.347 20.064 -9.333 1.00 0.00 H new ATOM 0 HE2 HIS A 30 13.163 18.774 -9.553 1.00 0.00 H new ATOM 471 N PRO A 31 18.220 12.909 -10.304 1.00 0.00 N ATOM 472 CA PRO A 31 18.678 11.530 -10.118 1.00 0.00 C ATOM 473 C PRO A 31 19.544 11.370 -8.873 1.00 0.00 C ATOM 474 O PRO A 31 20.003 10.272 -8.560 1.00 0.00 O ATOM 475 CB PRO A 31 19.501 11.255 -11.379 1.00 0.00 C ATOM 476 CG PRO A 31 19.959 12.599 -11.832 1.00 0.00 C ATOM 477 CD PRO A 31 18.861 13.558 -11.461 1.00 0.00 C ATOM 0 HA PRO A 31 17.846 10.841 -9.977 1.00 0.00 H new ATOM 0 HB2 PRO A 31 20.346 10.600 -11.166 1.00 0.00 H new ATOM 0 HB3 PRO A 31 18.901 10.762 -12.144 1.00 0.00 H new ATOM 0 HG2 PRO A 31 20.897 12.874 -11.350 1.00 0.00 H new ATOM 0 HG3 PRO A 31 20.138 12.608 -12.907 1.00 0.00 H new ATOM 0 HD2 PRO A 31 19.256 14.541 -11.203 1.00 0.00 H new ATOM 0 HD3 PRO A 31 18.158 13.702 -12.282 1.00 0.00 H new ATOM 485 N ASP A 32 19.763 12.473 -8.165 1.00 0.00 N ATOM 486 CA ASP A 32 20.572 12.455 -6.953 1.00 0.00 C ATOM 487 C ASP A 32 19.689 12.431 -5.709 1.00 0.00 C ATOM 488 O ASP A 32 20.095 11.939 -4.656 1.00 0.00 O ATOM 489 CB ASP A 32 21.496 13.674 -6.912 1.00 0.00 C ATOM 490 CG ASP A 32 22.257 13.866 -8.209 1.00 0.00 C ATOM 491 OD1 ASP A 32 22.773 12.865 -8.749 1.00 0.00 O ATOM 492 OD2 ASP A 32 22.339 15.018 -8.684 1.00 0.00 O ATOM 0 H ASP A 32 19.391 13.391 -8.410 1.00 0.00 H new ATOM 0 HA ASP A 32 21.178 11.549 -6.965 1.00 0.00 H new ATOM 0 HB2 ASP A 32 20.906 14.567 -6.704 1.00 0.00 H new ATOM 0 HB3 ASP A 32 22.205 13.562 -6.091 1.00 0.00 H new ATOM 497 N LEU A 33 18.480 12.965 -5.838 1.00 0.00 N ATOM 498 CA LEU A 33 17.538 13.006 -4.725 1.00 0.00 C ATOM 499 C LEU A 33 17.244 11.601 -4.208 1.00 0.00 C ATOM 500 O LEU A 33 16.725 10.746 -4.925 1.00 0.00 O ATOM 501 CB LEU A 33 16.237 13.684 -5.157 1.00 0.00 C ATOM 502 CG LEU A 33 16.250 15.213 -5.170 1.00 0.00 C ATOM 503 CD1 LEU A 33 14.831 15.758 -5.221 1.00 0.00 C ATOM 504 CD2 LEU A 33 16.986 15.751 -3.952 1.00 0.00 C ATOM 0 H LEU A 33 18.128 13.376 -6.703 1.00 0.00 H new ATOM 0 HA LEU A 33 17.992 13.583 -3.919 1.00 0.00 H new ATOM 0 HB2 LEU A 33 15.983 13.334 -6.158 1.00 0.00 H new ATOM 0 HB3 LEU A 33 15.440 13.353 -4.492 1.00 0.00 H new ATOM 0 HG LEU A 33 16.778 15.545 -6.064 1.00 0.00 H new ATOM 0 HD11 LEU A 33 14.860 16.848 -5.230 1.00 0.00 H new ATOM 0 HD12 LEU A 33 14.336 15.401 -6.124 1.00 0.00 H new ATOM 0 HD13 LEU A 33 14.278 15.417 -4.346 1.00 0.00 H new ATOM 0 HD21 LEU A 33 16.985 16.841 -3.978 1.00 0.00 H new ATOM 0 HD22 LEU A 33 16.487 15.409 -3.045 1.00 0.00 H new ATOM 0 HD23 LEU A 33 18.014 15.389 -3.959 1.00 0.00 H new ATOM 516 N PRO A 34 17.583 11.356 -2.934 1.00 0.00 N ATOM 517 CA PRO A 34 17.364 10.057 -2.292 1.00 0.00 C ATOM 518 C PRO A 34 15.884 9.768 -2.057 1.00 0.00 C ATOM 519 O PRO A 34 15.050 10.672 -2.114 1.00 0.00 O ATOM 520 CB PRO A 34 18.101 10.191 -0.957 1.00 0.00 C ATOM 521 CG PRO A 34 18.119 11.654 -0.680 1.00 0.00 C ATOM 522 CD PRO A 34 18.208 12.329 -2.021 1.00 0.00 C ATOM 0 HA PRO A 34 17.720 9.233 -2.910 1.00 0.00 H new ATOM 0 HB2 PRO A 34 17.589 9.644 -0.165 1.00 0.00 H new ATOM 0 HB3 PRO A 34 19.112 9.788 -1.020 1.00 0.00 H new ATOM 0 HG2 PRO A 34 17.219 11.961 -0.148 1.00 0.00 H new ATOM 0 HG3 PRO A 34 18.968 11.922 -0.051 1.00 0.00 H new ATOM 0 HD2 PRO A 34 17.680 13.283 -2.027 1.00 0.00 H new ATOM 0 HD3 PRO A 34 19.241 12.535 -2.299 1.00 0.00 H new ATOM 530 N PHE A 35 15.567 8.506 -1.792 1.00 0.00 N ATOM 531 CA PHE A 35 14.188 8.100 -1.548 1.00 0.00 C ATOM 532 C PHE A 35 13.471 9.113 -0.660 1.00 0.00 C ATOM 533 O PHE A 35 12.446 9.686 -1.030 1.00 0.00 O ATOM 534 CB PHE A 35 14.149 6.716 -0.896 1.00 0.00 C ATOM 535 CG PHE A 35 12.990 6.527 0.040 1.00 0.00 C ATOM 536 CD1 PHE A 35 11.723 6.967 -0.307 1.00 0.00 C ATOM 537 CD2 PHE A 35 13.167 5.909 1.268 1.00 0.00 C ATOM 538 CE1 PHE A 35 10.655 6.794 0.553 1.00 0.00 C ATOM 539 CE2 PHE A 35 12.104 5.733 2.131 1.00 0.00 C ATOM 540 CZ PHE A 35 10.845 6.175 1.773 1.00 0.00 C ATOM 0 H PHE A 35 16.246 7.746 -1.741 1.00 0.00 H new ATOM 0 HA PHE A 35 13.674 8.057 -2.508 1.00 0.00 H new ATOM 0 HB2 PHE A 35 14.103 5.957 -1.677 1.00 0.00 H new ATOM 0 HB3 PHE A 35 15.078 6.555 -0.349 1.00 0.00 H new ATOM 0 HD1 PHE A 35 11.568 7.451 -1.260 1.00 0.00 H new ATOM 0 HD2 PHE A 35 14.149 5.561 1.553 1.00 0.00 H new ATOM 0 HE1 PHE A 35 9.672 7.143 0.271 1.00 0.00 H new ATOM 0 HE2 PHE A 35 12.256 5.250 3.085 1.00 0.00 H new ATOM 0 HZ PHE A 35 10.011 6.037 2.446 1.00 0.00 H new ATOM 550 N PRO A 36 14.022 9.340 0.541 1.00 0.00 N ATOM 551 CA PRO A 36 13.453 10.284 1.508 1.00 0.00 C ATOM 552 C PRO A 36 13.599 11.733 1.058 1.00 0.00 C ATOM 553 O PRO A 36 13.514 12.656 1.868 1.00 0.00 O ATOM 554 CB PRO A 36 14.273 10.031 2.776 1.00 0.00 C ATOM 555 CG PRO A 36 15.569 9.485 2.286 1.00 0.00 C ATOM 556 CD PRO A 36 15.244 8.693 1.050 1.00 0.00 C ATOM 0 HA PRO A 36 12.381 10.135 1.641 1.00 0.00 H new ATOM 0 HB2 PRO A 36 14.420 10.951 3.343 1.00 0.00 H new ATOM 0 HB3 PRO A 36 13.771 9.325 3.438 1.00 0.00 H new ATOM 0 HG2 PRO A 36 16.271 10.288 2.061 1.00 0.00 H new ATOM 0 HG3 PRO A 36 16.037 8.854 3.042 1.00 0.00 H new ATOM 0 HD2 PRO A 36 16.054 8.735 0.322 1.00 0.00 H new ATOM 0 HD3 PRO A 36 15.076 7.641 1.280 1.00 0.00 H new ATOM 564 N GLU A 37 13.820 11.926 -0.239 1.00 0.00 N ATOM 565 CA GLU A 37 13.979 13.265 -0.795 1.00 0.00 C ATOM 566 C GLU A 37 13.097 13.450 -2.026 1.00 0.00 C ATOM 567 O GLU A 37 12.742 14.574 -2.384 1.00 0.00 O ATOM 568 CB GLU A 37 15.443 13.519 -1.160 1.00 0.00 C ATOM 569 CG GLU A 37 16.257 14.124 -0.028 1.00 0.00 C ATOM 570 CD GLU A 37 16.061 15.623 0.095 1.00 0.00 C ATOM 571 OE1 GLU A 37 15.051 16.133 -0.434 1.00 0.00 O ATOM 572 OE2 GLU A 37 16.916 16.284 0.720 1.00 0.00 O ATOM 0 H GLU A 37 13.893 11.173 -0.923 1.00 0.00 H new ATOM 0 HA GLU A 37 13.671 13.985 -0.037 1.00 0.00 H new ATOM 0 HB2 GLU A 37 15.902 12.578 -1.463 1.00 0.00 H new ATOM 0 HB3 GLU A 37 15.483 14.185 -2.022 1.00 0.00 H new ATOM 0 HG2 GLU A 37 15.977 13.647 0.911 1.00 0.00 H new ATOM 0 HG3 GLU A 37 17.314 13.912 -0.191 1.00 0.00 H new ATOM 579 N ILE A 38 12.747 12.341 -2.669 1.00 0.00 N ATOM 580 CA ILE A 38 11.907 12.381 -3.859 1.00 0.00 C ATOM 581 C ILE A 38 10.429 12.290 -3.492 1.00 0.00 C ATOM 582 O ILE A 38 9.577 12.891 -4.147 1.00 0.00 O ATOM 583 CB ILE A 38 12.254 11.239 -4.832 1.00 0.00 C ATOM 584 CG1 ILE A 38 13.696 11.380 -5.324 1.00 0.00 C ATOM 585 CG2 ILE A 38 11.287 11.232 -6.006 1.00 0.00 C ATOM 586 CD1 ILE A 38 14.204 10.161 -6.063 1.00 0.00 C ATOM 0 H ILE A 38 13.032 11.404 -2.385 1.00 0.00 H new ATOM 0 HA ILE A 38 12.099 13.335 -4.349 1.00 0.00 H new ATOM 0 HB ILE A 38 12.161 10.290 -4.304 1.00 0.00 H new ATOM 0 HG12 ILE A 38 13.764 12.248 -5.980 1.00 0.00 H new ATOM 0 HG13 ILE A 38 14.345 11.574 -4.470 1.00 0.00 H new ATOM 0 HG21 ILE A 38 11.545 10.419 -6.685 1.00 0.00 H new ATOM 0 HG22 ILE A 38 10.270 11.090 -5.639 1.00 0.00 H new ATOM 0 HG23 ILE A 38 11.352 12.182 -6.536 1.00 0.00 H new ATOM 0 HD11 ILE A 38 15.232 10.331 -6.383 1.00 0.00 H new ATOM 0 HD12 ILE A 38 14.168 9.294 -5.403 1.00 0.00 H new ATOM 0 HD13 ILE A 38 13.578 9.978 -6.936 1.00 0.00 H new ATOM 598 N THR A 39 10.133 11.535 -2.438 1.00 0.00 N ATOM 599 CA THR A 39 8.759 11.366 -1.983 1.00 0.00 C ATOM 600 C THR A 39 8.242 12.633 -1.312 1.00 0.00 C ATOM 601 O THR A 39 7.105 13.049 -1.538 1.00 0.00 O ATOM 602 CB THR A 39 8.636 10.188 -0.996 1.00 0.00 C ATOM 603 OG1 THR A 39 8.839 8.950 -1.685 1.00 0.00 O ATOM 604 CG2 THR A 39 7.270 10.184 -0.328 1.00 0.00 C ATOM 0 H THR A 39 10.826 11.032 -1.884 1.00 0.00 H new ATOM 0 HA THR A 39 8.156 11.155 -2.867 1.00 0.00 H new ATOM 0 HB THR A 39 9.399 10.305 -0.227 1.00 0.00 H new ATOM 0 HG1 THR A 39 8.606 8.204 -1.093 1.00 0.00 H new ATOM 0 HG21 THR A 39 7.206 9.344 0.364 1.00 0.00 H new ATOM 0 HG22 THR A 39 7.130 11.116 0.219 1.00 0.00 H new ATOM 0 HG23 THR A 39 6.494 10.088 -1.087 1.00 0.00 H new ATOM 612 N LYS A 40 9.082 13.243 -0.483 1.00 0.00 N ATOM 613 CA LYS A 40 8.712 14.465 0.221 1.00 0.00 C ATOM 614 C LYS A 40 8.235 15.533 -0.758 1.00 0.00 C ATOM 615 O LYS A 40 7.422 16.389 -0.410 1.00 0.00 O ATOM 616 CB LYS A 40 9.899 14.993 1.029 1.00 0.00 C ATOM 617 CG LYS A 40 11.055 15.472 0.169 1.00 0.00 C ATOM 618 CD LYS A 40 12.076 16.244 0.988 1.00 0.00 C ATOM 619 CE LYS A 40 11.629 17.678 1.228 1.00 0.00 C ATOM 620 NZ LYS A 40 11.743 18.509 -0.002 1.00 0.00 N ATOM 0 H LYS A 40 10.025 12.910 -0.282 1.00 0.00 H new ATOM 0 HA LYS A 40 7.894 14.229 0.902 1.00 0.00 H new ATOM 0 HB2 LYS A 40 9.561 15.815 1.660 1.00 0.00 H new ATOM 0 HB3 LYS A 40 10.254 14.206 1.694 1.00 0.00 H new ATOM 0 HG2 LYS A 40 11.538 14.616 -0.303 1.00 0.00 H new ATOM 0 HG3 LYS A 40 10.675 16.106 -0.632 1.00 0.00 H new ATOM 0 HD2 LYS A 40 12.229 15.745 1.945 1.00 0.00 H new ATOM 0 HD3 LYS A 40 13.035 16.243 0.470 1.00 0.00 H new ATOM 0 HE2 LYS A 40 10.596 17.683 1.575 1.00 0.00 H new ATOM 0 HE3 LYS A 40 12.233 18.119 2.021 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 11.661 19.515 0.250 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 12.665 18.339 -0.452 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 10.983 18.255 -0.665 1.00 0.00 H new ATOM 634 N MET A 41 8.746 15.477 -1.984 1.00 0.00 N ATOM 635 CA MET A 41 8.369 16.439 -3.013 1.00 0.00 C ATOM 636 C MET A 41 7.017 16.082 -3.622 1.00 0.00 C ATOM 637 O MET A 41 6.142 16.937 -3.763 1.00 0.00 O ATOM 638 CB MET A 41 9.437 16.492 -4.107 1.00 0.00 C ATOM 639 CG MET A 41 10.660 17.308 -3.724 1.00 0.00 C ATOM 640 SD MET A 41 11.454 18.080 -5.146 1.00 0.00 S ATOM 641 CE MET A 41 11.856 16.639 -6.133 1.00 0.00 C ATOM 0 H MET A 41 9.422 14.776 -2.289 1.00 0.00 H new ATOM 0 HA MET A 41 8.289 17.421 -2.546 1.00 0.00 H new ATOM 0 HB2 MET A 41 9.749 15.476 -4.348 1.00 0.00 H new ATOM 0 HB3 MET A 41 8.998 16.913 -5.011 1.00 0.00 H new ATOM 0 HG2 MET A 41 10.368 18.080 -3.012 1.00 0.00 H new ATOM 0 HG3 MET A 41 11.378 16.663 -3.218 1.00 0.00 H new ATOM 0 HE1 MET A 41 12.711 16.862 -6.771 1.00 0.00 H new ATOM 0 HE2 MET A 41 12.101 15.805 -5.476 1.00 0.00 H new ATOM 0 HE3 MET A 41 11.000 16.373 -6.753 1.00 0.00 H new ATOM 651 N LEU A 42 6.852 14.814 -3.983 1.00 0.00 N ATOM 652 CA LEU A 42 5.606 14.343 -4.578 1.00 0.00 C ATOM 653 C LEU A 42 4.432 14.564 -3.629 1.00 0.00 C ATOM 654 O LEU A 42 3.398 15.103 -4.020 1.00 0.00 O ATOM 655 CB LEU A 42 5.717 12.860 -4.934 1.00 0.00 C ATOM 656 CG LEU A 42 6.826 12.486 -5.919 1.00 0.00 C ATOM 657 CD1 LEU A 42 6.881 10.979 -6.115 1.00 0.00 C ATOM 658 CD2 LEU A 42 6.617 13.193 -7.250 1.00 0.00 C ATOM 0 H LEU A 42 7.566 14.093 -3.874 1.00 0.00 H new ATOM 0 HA LEU A 42 5.427 14.916 -5.488 1.00 0.00 H new ATOM 0 HB2 LEU A 42 5.871 12.297 -4.014 1.00 0.00 H new ATOM 0 HB3 LEU A 42 4.764 12.535 -5.351 1.00 0.00 H new ATOM 0 HG LEU A 42 7.780 12.811 -5.504 1.00 0.00 H new ATOM 0 HD11 LEU A 42 7.676 10.732 -6.819 1.00 0.00 H new ATOM 0 HD12 LEU A 42 7.080 10.495 -5.159 1.00 0.00 H new ATOM 0 HD13 LEU A 42 5.927 10.628 -6.508 1.00 0.00 H new ATOM 0 HD21 LEU A 42 7.415 12.915 -7.939 1.00 0.00 H new ATOM 0 HD22 LEU A 42 5.656 12.899 -7.671 1.00 0.00 H new ATOM 0 HD23 LEU A 42 6.630 14.272 -7.095 1.00 0.00 H new ATOM 670 N GLY A 43 4.601 14.144 -2.379 1.00 0.00 N ATOM 671 CA GLY A 43 3.548 14.307 -1.394 1.00 0.00 C ATOM 672 C GLY A 43 2.834 15.638 -1.522 1.00 0.00 C ATOM 673 O GLY A 43 1.623 15.681 -1.735 1.00 0.00 O ATOM 0 H GLY A 43 5.448 13.694 -2.031 1.00 0.00 H new ATOM 0 HA2 GLY A 43 2.825 13.499 -1.503 1.00 0.00 H new ATOM 0 HA3 GLY A 43 3.974 14.221 -0.394 1.00 0.00 H new ATOM 677 N ALA A 44 3.585 16.725 -1.392 1.00 0.00 N ATOM 678 CA ALA A 44 3.016 18.064 -1.495 1.00 0.00 C ATOM 679 C ALA A 44 2.103 18.179 -2.712 1.00 0.00 C ATOM 680 O ALA A 44 1.019 18.755 -2.632 1.00 0.00 O ATOM 681 CB ALA A 44 4.124 19.105 -1.564 1.00 0.00 C ATOM 0 H ALA A 44 4.589 16.706 -1.215 1.00 0.00 H new ATOM 0 HA ALA A 44 2.416 18.247 -0.604 1.00 0.00 H new ATOM 0 HB1 ALA A 44 3.685 20.100 -1.641 1.00 0.00 H new ATOM 0 HB2 ALA A 44 4.735 19.047 -0.663 1.00 0.00 H new ATOM 0 HB3 ALA A 44 4.747 18.915 -2.438 1.00 0.00 H new ATOM 687 N GLU A 45 2.550 17.630 -3.836 1.00 0.00 N ATOM 688 CA GLU A 45 1.773 17.673 -5.069 1.00 0.00 C ATOM 689 C GLU A 45 0.429 16.975 -4.888 1.00 0.00 C ATOM 690 O GLU A 45 -0.597 17.445 -5.381 1.00 0.00 O ATOM 691 CB GLU A 45 2.551 17.018 -6.212 1.00 0.00 C ATOM 692 CG GLU A 45 3.896 17.671 -6.484 1.00 0.00 C ATOM 693 CD GLU A 45 3.775 18.926 -7.326 1.00 0.00 C ATOM 694 OE1 GLU A 45 3.477 18.805 -8.533 1.00 0.00 O ATOM 695 OE2 GLU A 45 3.979 20.030 -6.778 1.00 0.00 O ATOM 0 H GLU A 45 3.446 17.150 -3.919 1.00 0.00 H new ATOM 0 HA GLU A 45 1.590 18.718 -5.317 1.00 0.00 H new ATOM 0 HB2 GLU A 45 2.708 15.965 -5.977 1.00 0.00 H new ATOM 0 HB3 GLU A 45 1.948 17.055 -7.119 1.00 0.00 H new ATOM 0 HG2 GLU A 45 4.374 17.919 -5.536 1.00 0.00 H new ATOM 0 HG3 GLU A 45 4.546 16.958 -6.992 1.00 0.00 H new ATOM 702 N TRP A 46 0.442 15.852 -4.181 1.00 0.00 N ATOM 703 CA TRP A 46 -0.776 15.087 -3.937 1.00 0.00 C ATOM 704 C TRP A 46 -1.813 15.934 -3.208 1.00 0.00 C ATOM 705 O TRP A 46 -2.988 15.945 -3.574 1.00 0.00 O ATOM 706 CB TRP A 46 -0.461 13.832 -3.121 1.00 0.00 C ATOM 707 CG TRP A 46 -1.682 13.153 -2.579 1.00 0.00 C ATOM 708 CD1 TRP A 46 -2.124 13.171 -1.287 1.00 0.00 C ATOM 709 CD2 TRP A 46 -2.616 12.355 -3.314 1.00 0.00 C ATOM 710 NE1 TRP A 46 -3.277 12.432 -1.174 1.00 0.00 N ATOM 711 CE2 TRP A 46 -3.600 11.921 -2.404 1.00 0.00 C ATOM 712 CE3 TRP A 46 -2.718 11.966 -4.653 1.00 0.00 C ATOM 713 CZ2 TRP A 46 -4.670 11.118 -2.791 1.00 0.00 C ATOM 714 CZ3 TRP A 46 -3.780 11.169 -5.034 1.00 0.00 C ATOM 715 CH2 TRP A 46 -4.745 10.752 -4.107 1.00 0.00 C ATOM 0 H TRP A 46 1.283 15.450 -3.766 1.00 0.00 H new ATOM 0 HA TRP A 46 -1.188 14.790 -4.902 1.00 0.00 H new ATOM 0 HB2 TRP A 46 0.089 13.129 -3.747 1.00 0.00 H new ATOM 0 HB3 TRP A 46 0.194 14.101 -2.292 1.00 0.00 H new ATOM 0 HD1 TRP A 46 -1.639 13.690 -0.474 1.00 0.00 H new ATOM 0 HE1 TRP A 46 -3.806 12.287 -0.314 1.00 0.00 H new ATOM 0 HE3 TRP A 46 -1.981 12.283 -5.376 1.00 0.00 H new ATOM 0 HZ2 TRP A 46 -5.414 10.796 -2.078 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 -3.868 10.861 -6.066 1.00 0.00 H new ATOM 0 HH2 TRP A 46 -5.563 10.130 -4.438 1.00 0.00 H new ATOM 726 N SER A 47 -1.370 16.644 -2.174 1.00 0.00 N ATOM 727 CA SER A 47 -2.262 17.492 -1.391 1.00 0.00 C ATOM 728 C SER A 47 -2.692 18.716 -2.195 1.00 0.00 C ATOM 729 O SER A 47 -3.706 19.347 -1.895 1.00 0.00 O ATOM 730 CB SER A 47 -1.576 17.932 -0.098 1.00 0.00 C ATOM 731 OG SER A 47 -1.796 16.994 0.941 1.00 0.00 O ATOM 0 H SER A 47 -0.400 16.649 -1.860 1.00 0.00 H new ATOM 0 HA SER A 47 -3.151 16.912 -1.143 1.00 0.00 H new ATOM 0 HB2 SER A 47 -0.506 18.044 -0.270 1.00 0.00 H new ATOM 0 HB3 SER A 47 -1.954 18.909 0.204 1.00 0.00 H new ATOM 0 HG SER A 47 -1.346 17.298 1.757 1.00 0.00 H new ATOM 737 N LYS A 48 -1.912 19.047 -3.218 1.00 0.00 N ATOM 738 CA LYS A 48 -2.210 20.195 -4.067 1.00 0.00 C ATOM 739 C LYS A 48 -2.889 19.753 -5.360 1.00 0.00 C ATOM 740 O LYS A 48 -3.054 20.545 -6.288 1.00 0.00 O ATOM 741 CB LYS A 48 -0.926 20.964 -4.389 1.00 0.00 C ATOM 742 CG LYS A 48 -0.236 21.537 -3.163 1.00 0.00 C ATOM 743 CD LYS A 48 1.022 22.302 -3.538 1.00 0.00 C ATOM 744 CE LYS A 48 2.121 21.366 -4.019 1.00 0.00 C ATOM 745 NZ LYS A 48 3.459 22.018 -3.983 1.00 0.00 N ATOM 0 H LYS A 48 -1.068 18.537 -3.480 1.00 0.00 H new ATOM 0 HA LYS A 48 -2.892 20.850 -3.525 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -0.235 20.299 -4.907 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -1.162 21.777 -5.076 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -0.922 22.199 -2.635 1.00 0.00 H new ATOM 0 HG3 LYS A 48 0.019 20.729 -2.477 1.00 0.00 H new ATOM 0 HD2 LYS A 48 0.790 23.025 -4.320 1.00 0.00 H new ATOM 0 HD3 LYS A 48 1.376 22.868 -2.676 1.00 0.00 H new ATOM 0 HE2 LYS A 48 2.136 20.472 -3.395 1.00 0.00 H new ATOM 0 HE3 LYS A 48 1.902 21.041 -5.036 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 4.181 21.348 -4.318 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 3.453 22.857 -4.598 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 3.679 22.305 -3.008 1.00 0.00 H new ATOM 759 N LEU A 49 -3.280 18.485 -5.414 1.00 0.00 N ATOM 760 CA LEU A 49 -3.942 17.938 -6.593 1.00 0.00 C ATOM 761 C LEU A 49 -5.331 18.546 -6.768 1.00 0.00 C ATOM 762 O LEU A 49 -5.842 19.216 -5.872 1.00 0.00 O ATOM 763 CB LEU A 49 -4.050 16.417 -6.483 1.00 0.00 C ATOM 764 CG LEU A 49 -2.877 15.617 -7.051 1.00 0.00 C ATOM 765 CD1 LEU A 49 -3.120 14.125 -6.892 1.00 0.00 C ATOM 766 CD2 LEU A 49 -2.650 15.971 -8.515 1.00 0.00 C ATOM 0 H LEU A 49 -3.150 17.816 -4.655 1.00 0.00 H new ATOM 0 HA LEU A 49 -3.341 18.191 -7.466 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -4.166 16.156 -5.431 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -4.960 16.100 -6.992 1.00 0.00 H new ATOM 0 HG LEU A 49 -1.979 15.878 -6.491 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -2.274 13.573 -7.302 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -3.231 13.885 -5.835 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -4.029 13.846 -7.425 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -1.812 15.393 -8.903 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -3.547 15.739 -9.089 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -2.428 17.035 -8.602 1.00 0.00 H new ATOM 778 N GLN A 50 -5.934 18.305 -7.928 1.00 0.00 N ATOM 779 CA GLN A 50 -7.264 18.828 -8.219 1.00 0.00 C ATOM 780 C GLN A 50 -8.345 17.879 -7.715 1.00 0.00 C ATOM 781 O GLN A 50 -8.106 16.693 -7.482 1.00 0.00 O ATOM 782 CB GLN A 50 -7.428 19.053 -9.723 1.00 0.00 C ATOM 783 CG GLN A 50 -6.940 20.414 -10.192 1.00 0.00 C ATOM 784 CD GLN A 50 -6.796 20.496 -11.698 1.00 0.00 C ATOM 785 OE1 GLN A 50 -7.594 19.924 -12.442 1.00 0.00 O ATOM 786 NE2 GLN A 50 -5.773 21.208 -12.158 1.00 0.00 N ATOM 0 H GLN A 50 -5.524 17.752 -8.680 1.00 0.00 H new ATOM 0 HA GLN A 50 -7.373 19.781 -7.701 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -6.883 18.276 -10.260 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -8.480 18.943 -9.986 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -7.637 21.181 -9.855 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -5.978 20.631 -9.727 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -5.136 21.666 -11.506 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -5.625 21.297 -13.163 1.00 0.00 H new ATOM 795 N PRO A 51 -9.565 18.408 -7.538 1.00 0.00 N ATOM 796 CA PRO A 51 -10.707 17.625 -7.059 1.00 0.00 C ATOM 797 C PRO A 51 -11.189 16.611 -8.091 1.00 0.00 C ATOM 798 O PRO A 51 -12.171 15.904 -7.869 1.00 0.00 O ATOM 799 CB PRO A 51 -11.782 18.684 -6.807 1.00 0.00 C ATOM 800 CG PRO A 51 -11.423 19.812 -7.711 1.00 0.00 C ATOM 801 CD PRO A 51 -9.922 19.813 -7.795 1.00 0.00 C ATOM 0 HA PRO A 51 -10.456 17.035 -6.178 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -12.777 18.299 -7.031 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -11.789 19.000 -5.764 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -11.869 19.679 -8.697 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -11.793 20.759 -7.319 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -9.575 20.143 -8.774 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -9.479 20.482 -7.057 1.00 0.00 H new ATOM 809 N ALA A 52 -10.491 16.547 -9.220 1.00 0.00 N ATOM 810 CA ALA A 52 -10.847 15.618 -10.286 1.00 0.00 C ATOM 811 C ALA A 52 -9.756 14.573 -10.491 1.00 0.00 C ATOM 812 O ALA A 52 -10.043 13.405 -10.750 1.00 0.00 O ATOM 813 CB ALA A 52 -11.106 16.374 -11.581 1.00 0.00 C ATOM 0 H ALA A 52 -9.676 17.127 -9.420 1.00 0.00 H new ATOM 0 HA ALA A 52 -11.760 15.100 -9.992 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -11.371 15.668 -12.368 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -11.926 17.077 -11.434 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -10.207 16.919 -11.870 1.00 0.00 H new ATOM 819 N GLU A 53 -8.503 15.002 -10.373 1.00 0.00 N ATOM 820 CA GLU A 53 -7.368 14.102 -10.547 1.00 0.00 C ATOM 821 C GLU A 53 -7.184 13.215 -9.319 1.00 0.00 C ATOM 822 O GLU A 53 -7.129 11.989 -9.426 1.00 0.00 O ATOM 823 CB GLU A 53 -6.090 14.901 -10.808 1.00 0.00 C ATOM 824 CG GLU A 53 -6.194 15.844 -11.995 1.00 0.00 C ATOM 825 CD GLU A 53 -6.641 15.141 -13.262 1.00 0.00 C ATOM 826 OE1 GLU A 53 -5.914 14.237 -13.726 1.00 0.00 O ATOM 827 OE2 GLU A 53 -7.716 15.494 -13.790 1.00 0.00 O ATOM 0 H GLU A 53 -8.248 15.966 -10.158 1.00 0.00 H new ATOM 0 HA GLU A 53 -7.571 13.465 -11.408 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -5.844 15.478 -9.917 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -5.266 14.208 -10.977 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -6.898 16.642 -11.759 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -5.225 16.314 -12.167 1.00 0.00 H new ATOM 834 N LYS A 54 -7.090 13.842 -8.152 1.00 0.00 N ATOM 835 CA LYS A 54 -6.912 13.111 -6.902 1.00 0.00 C ATOM 836 C LYS A 54 -7.947 11.998 -6.771 1.00 0.00 C ATOM 837 O LYS A 54 -7.626 10.887 -6.350 1.00 0.00 O ATOM 838 CB LYS A 54 -7.021 14.065 -5.710 1.00 0.00 C ATOM 839 CG LYS A 54 -6.321 13.559 -4.461 1.00 0.00 C ATOM 840 CD LYS A 54 -6.961 14.116 -3.200 1.00 0.00 C ATOM 841 CE LYS A 54 -5.954 14.224 -2.065 1.00 0.00 C ATOM 842 NZ LYS A 54 -6.583 14.723 -0.811 1.00 0.00 N ATOM 0 H LYS A 54 -7.134 14.855 -8.045 1.00 0.00 H new ATOM 0 HA LYS A 54 -5.919 12.661 -6.911 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -6.598 15.030 -5.988 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -8.074 14.232 -5.484 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -6.357 12.470 -4.438 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -5.269 13.842 -4.492 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -7.383 15.099 -3.409 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -7.787 13.473 -2.895 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -5.506 13.247 -1.883 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -5.147 14.895 -2.358 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -5.864 14.782 -0.062 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -6.988 15.666 -0.977 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -7.336 14.069 -0.517 1.00 0.00 H new ATOM 856 N GLN A 55 -9.189 12.304 -7.135 1.00 0.00 N ATOM 857 CA GLN A 55 -10.268 11.329 -7.058 1.00 0.00 C ATOM 858 C GLN A 55 -10.063 10.207 -8.072 1.00 0.00 C ATOM 859 O GLN A 55 -10.299 9.037 -7.774 1.00 0.00 O ATOM 860 CB GLN A 55 -11.617 12.009 -7.300 1.00 0.00 C ATOM 861 CG GLN A 55 -12.806 11.072 -7.158 1.00 0.00 C ATOM 862 CD GLN A 55 -13.028 10.626 -5.726 1.00 0.00 C ATOM 863 OE1 GLN A 55 -13.182 11.450 -4.824 1.00 0.00 O ATOM 864 NE2 GLN A 55 -13.048 9.316 -5.510 1.00 0.00 N ATOM 0 H GLN A 55 -9.471 13.219 -7.486 1.00 0.00 H new ATOM 0 HA GLN A 55 -10.261 10.896 -6.058 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -11.730 12.834 -6.597 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -11.623 12.440 -8.301 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -13.703 11.572 -7.522 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -12.651 10.196 -7.788 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -12.916 8.669 -6.287 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -13.195 8.957 -4.567 1.00 0.00 H new ATOM 873 N ARG A 56 -9.621 10.574 -9.270 1.00 0.00 N ATOM 874 CA ARG A 56 -9.384 9.598 -10.328 1.00 0.00 C ATOM 875 C ARG A 56 -8.353 8.561 -9.892 1.00 0.00 C ATOM 876 O ARG A 56 -8.374 7.419 -10.350 1.00 0.00 O ATOM 877 CB ARG A 56 -8.909 10.301 -11.601 1.00 0.00 C ATOM 878 CG ARG A 56 -8.470 9.343 -12.698 1.00 0.00 C ATOM 879 CD ARG A 56 -7.486 10.002 -13.652 1.00 0.00 C ATOM 880 NE ARG A 56 -8.152 10.896 -14.595 1.00 0.00 N ATOM 881 CZ ARG A 56 -8.952 10.473 -15.568 1.00 0.00 C ATOM 882 NH1 ARG A 56 -9.184 9.176 -15.724 1.00 0.00 N ATOM 883 NH2 ARG A 56 -9.522 11.348 -16.387 1.00 0.00 N ATOM 0 H ARG A 56 -9.420 11.539 -9.533 1.00 0.00 H new ATOM 0 HA ARG A 56 -10.324 9.086 -10.532 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -9.714 10.930 -11.980 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -8.078 10.961 -11.353 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -8.010 8.462 -12.251 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -9.343 9.000 -13.254 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -6.748 10.564 -13.080 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -6.945 9.233 -14.203 1.00 0.00 H new ATOM 0 HE ARG A 56 -7.995 11.899 -14.502 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -8.748 8.501 -15.096 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -9.799 8.854 -16.472 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -9.346 12.346 -16.270 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -10.136 11.023 -17.134 1.00 0.00 H new ATOM 897 N TYR A 57 -7.453 8.968 -9.003 1.00 0.00 N ATOM 898 CA TYR A 57 -6.412 8.075 -8.508 1.00 0.00 C ATOM 899 C TYR A 57 -6.949 7.178 -7.397 1.00 0.00 C ATOM 900 O TYR A 57 -6.658 5.982 -7.354 1.00 0.00 O ATOM 901 CB TYR A 57 -5.220 8.884 -7.994 1.00 0.00 C ATOM 902 CG TYR A 57 -4.334 9.423 -9.094 1.00 0.00 C ATOM 903 CD1 TYR A 57 -3.824 8.583 -10.076 1.00 0.00 C ATOM 904 CD2 TYR A 57 -4.009 10.773 -9.154 1.00 0.00 C ATOM 905 CE1 TYR A 57 -3.014 9.070 -11.083 1.00 0.00 C ATOM 906 CE2 TYR A 57 -3.201 11.269 -10.158 1.00 0.00 C ATOM 907 CZ TYR A 57 -2.706 10.414 -11.120 1.00 0.00 C ATOM 908 OH TYR A 57 -1.900 10.905 -12.122 1.00 0.00 O ATOM 0 H TYR A 57 -7.424 9.909 -8.611 1.00 0.00 H new ATOM 0 HA TYR A 57 -6.085 7.444 -9.335 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -5.588 9.717 -7.395 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -4.623 8.255 -7.333 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -4.065 7.531 -10.051 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -4.395 11.446 -8.402 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -2.624 8.402 -11.837 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -2.958 12.321 -10.190 1.00 0.00 H new ATOM 0 HH TYR A 57 -1.782 11.871 -12.003 1.00 0.00 H new ATOM 918 N LEU A 58 -7.734 7.763 -6.499 1.00 0.00 N ATOM 919 CA LEU A 58 -8.314 7.018 -5.387 1.00 0.00 C ATOM 920 C LEU A 58 -9.268 5.941 -5.892 1.00 0.00 C ATOM 921 O LEU A 58 -9.429 4.895 -5.264 1.00 0.00 O ATOM 922 CB LEU A 58 -9.051 7.967 -4.440 1.00 0.00 C ATOM 923 CG LEU A 58 -8.206 9.073 -3.807 1.00 0.00 C ATOM 924 CD1 LEU A 58 -9.096 10.105 -3.133 1.00 0.00 C ATOM 925 CD2 LEU A 58 -7.218 8.485 -2.810 1.00 0.00 C ATOM 0 H LEU A 58 -7.984 8.752 -6.519 1.00 0.00 H new ATOM 0 HA LEU A 58 -7.503 6.533 -4.845 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -9.870 8.432 -4.989 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -9.498 7.376 -3.641 1.00 0.00 H new ATOM 0 HG LEU A 58 -7.642 9.570 -4.596 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -8.477 10.884 -2.688 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -9.763 10.549 -3.872 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -9.687 9.623 -2.355 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -6.625 9.287 -2.369 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -7.762 7.962 -2.024 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -6.558 7.785 -3.322 1.00 0.00 H new ATOM 937 N ASP A 59 -9.900 6.205 -7.031 1.00 0.00 N ATOM 938 CA ASP A 59 -10.837 5.257 -7.622 1.00 0.00 C ATOM 939 C ASP A 59 -10.114 4.278 -8.540 1.00 0.00 C ATOM 940 O ASP A 59 -10.502 3.116 -8.653 1.00 0.00 O ATOM 941 CB ASP A 59 -11.922 6.001 -8.404 1.00 0.00 C ATOM 942 CG ASP A 59 -13.219 5.218 -8.482 1.00 0.00 C ATOM 943 OD1 ASP A 59 -13.163 4.006 -8.775 1.00 0.00 O ATOM 944 OD2 ASP A 59 -14.288 5.819 -8.247 1.00 0.00 O ATOM 0 H ASP A 59 -9.780 7.067 -7.563 1.00 0.00 H new ATOM 0 HA ASP A 59 -11.303 4.693 -6.814 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -12.111 6.965 -7.931 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -11.563 6.206 -9.413 1.00 0.00 H new ATOM 949 N GLU A 60 -9.059 4.756 -9.194 1.00 0.00 N ATOM 950 CA GLU A 60 -8.282 3.921 -10.103 1.00 0.00 C ATOM 951 C GLU A 60 -7.583 2.796 -9.346 1.00 0.00 C ATOM 952 O GLU A 60 -7.184 1.792 -9.935 1.00 0.00 O ATOM 953 CB GLU A 60 -7.248 4.767 -10.849 1.00 0.00 C ATOM 954 CG GLU A 60 -7.821 5.519 -12.040 1.00 0.00 C ATOM 955 CD GLU A 60 -7.829 4.686 -13.307 1.00 0.00 C ATOM 956 OE1 GLU A 60 -6.804 4.035 -13.596 1.00 0.00 O ATOM 957 OE2 GLU A 60 -8.862 4.686 -14.009 1.00 0.00 O ATOM 0 H GLU A 60 -8.723 5.716 -9.111 1.00 0.00 H new ATOM 0 HA GLU A 60 -8.968 3.478 -10.825 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -6.808 5.483 -10.155 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -6.441 4.120 -11.193 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -8.839 5.834 -11.810 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -7.237 6.424 -12.208 1.00 0.00 H new ATOM 964 N ALA A 61 -7.438 2.973 -8.037 1.00 0.00 N ATOM 965 CA ALA A 61 -6.789 1.972 -7.199 1.00 0.00 C ATOM 966 C ALA A 61 -7.818 1.135 -6.446 1.00 0.00 C ATOM 967 O ALA A 61 -7.689 -0.084 -6.350 1.00 0.00 O ATOM 968 CB ALA A 61 -5.834 2.642 -6.222 1.00 0.00 C ATOM 0 H ALA A 61 -7.761 3.800 -7.534 1.00 0.00 H new ATOM 0 HA ALA A 61 -6.221 1.304 -7.847 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -5.356 1.883 -5.602 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -5.072 3.191 -6.776 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -6.389 3.333 -5.587 1.00 0.00 H new ATOM 974 N GLU A 62 -8.839 1.799 -5.913 1.00 0.00 N ATOM 975 CA GLU A 62 -9.889 1.115 -5.168 1.00 0.00 C ATOM 976 C GLU A 62 -10.502 -0.009 -5.999 1.00 0.00 C ATOM 977 O GLU A 62 -10.985 -1.004 -5.459 1.00 0.00 O ATOM 978 CB GLU A 62 -10.977 2.107 -4.750 1.00 0.00 C ATOM 979 CG GLU A 62 -11.975 2.416 -5.853 1.00 0.00 C ATOM 980 CD GLU A 62 -13.143 1.448 -5.872 1.00 0.00 C ATOM 981 OE1 GLU A 62 -13.263 0.644 -4.923 1.00 0.00 O ATOM 982 OE2 GLU A 62 -13.937 1.496 -6.834 1.00 0.00 O ATOM 0 H GLU A 62 -8.961 2.809 -5.983 1.00 0.00 H new ATOM 0 HA GLU A 62 -9.441 0.680 -4.275 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -11.512 1.705 -3.890 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -10.506 3.035 -4.427 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -12.351 3.431 -5.723 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -11.467 2.385 -6.817 1.00 0.00 H new ATOM 989 N LYS A 63 -10.480 0.158 -7.317 1.00 0.00 N ATOM 990 CA LYS A 63 -11.032 -0.841 -8.224 1.00 0.00 C ATOM 991 C LYS A 63 -10.103 -2.046 -8.337 1.00 0.00 C ATOM 992 O LYS A 63 -10.555 -3.172 -8.545 1.00 0.00 O ATOM 993 CB LYS A 63 -11.263 -0.231 -9.608 1.00 0.00 C ATOM 994 CG LYS A 63 -12.431 0.739 -9.659 1.00 0.00 C ATOM 995 CD LYS A 63 -12.319 1.687 -10.841 1.00 0.00 C ATOM 996 CE LYS A 63 -12.601 0.976 -12.155 1.00 0.00 C ATOM 997 NZ LYS A 63 -11.978 1.678 -13.311 1.00 0.00 N ATOM 0 H LYS A 63 -10.086 0.976 -7.781 1.00 0.00 H new ATOM 0 HA LYS A 63 -11.986 -1.176 -7.817 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -10.357 0.287 -9.923 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -11.437 -1.033 -10.325 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -13.365 0.181 -9.726 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -12.468 1.313 -8.733 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -13.020 2.512 -10.715 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -11.319 2.120 -10.868 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -12.223 -0.045 -12.104 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -13.678 0.910 -12.308 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -12.194 1.162 -14.188 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -12.357 2.644 -13.376 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -10.947 1.719 -13.178 1.00 0.00 H new ATOM 1011 N GLU A 64 -8.804 -1.801 -8.197 1.00 0.00 N ATOM 1012 CA GLU A 64 -7.813 -2.868 -8.282 1.00 0.00 C ATOM 1013 C GLU A 64 -7.705 -3.617 -6.957 1.00 0.00 C ATOM 1014 O GLU A 64 -7.314 -4.784 -6.920 1.00 0.00 O ATOM 1015 CB GLU A 64 -6.448 -2.295 -8.671 1.00 0.00 C ATOM 1016 CG GLU A 64 -6.356 -1.877 -10.129 1.00 0.00 C ATOM 1017 CD GLU A 64 -6.254 -3.060 -11.071 1.00 0.00 C ATOM 1018 OE1 GLU A 64 -5.141 -3.608 -11.216 1.00 0.00 O ATOM 1019 OE2 GLU A 64 -7.286 -3.439 -11.662 1.00 0.00 O ATOM 0 H GLU A 64 -8.414 -0.875 -8.024 1.00 0.00 H new ATOM 0 HA GLU A 64 -8.136 -3.570 -9.050 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -6.232 -1.433 -8.040 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -5.679 -3.040 -8.466 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -7.234 -1.285 -10.389 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -5.486 -1.234 -10.264 1.00 0.00 H new ATOM 1026 N LYS A 65 -8.051 -2.937 -5.870 1.00 0.00 N ATOM 1027 CA LYS A 65 -7.993 -3.535 -4.541 1.00 0.00 C ATOM 1028 C LYS A 65 -9.094 -4.576 -4.365 1.00 0.00 C ATOM 1029 O LYS A 65 -8.909 -5.577 -3.675 1.00 0.00 O ATOM 1030 CB LYS A 65 -8.122 -2.454 -3.466 1.00 0.00 C ATOM 1031 CG LYS A 65 -7.874 -2.964 -2.057 1.00 0.00 C ATOM 1032 CD LYS A 65 -8.151 -1.891 -1.018 1.00 0.00 C ATOM 1033 CE LYS A 65 -8.491 -2.498 0.334 1.00 0.00 C ATOM 1034 NZ LYS A 65 -9.376 -1.608 1.135 1.00 0.00 N ATOM 0 H LYS A 65 -8.375 -1.970 -5.883 1.00 0.00 H new ATOM 0 HA LYS A 65 -7.028 -4.030 -4.435 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -7.416 -1.652 -3.683 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -9.121 -2.021 -3.516 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -8.509 -3.829 -1.866 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -6.841 -3.300 -1.967 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -7.278 -1.245 -0.919 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -8.976 -1.263 -1.354 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -8.981 -3.460 0.187 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -7.572 -2.690 0.888 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -9.585 -2.058 2.049 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -8.898 -0.698 1.297 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -10.264 -1.445 0.619 1.00 0.00 H new ATOM 1048 N GLN A 66 -10.239 -4.331 -4.995 1.00 0.00 N ATOM 1049 CA GLN A 66 -11.369 -5.248 -4.908 1.00 0.00 C ATOM 1050 C GLN A 66 -11.003 -6.618 -5.471 1.00 0.00 C ATOM 1051 O GLN A 66 -11.395 -7.647 -4.922 1.00 0.00 O ATOM 1052 CB GLN A 66 -12.574 -4.680 -5.661 1.00 0.00 C ATOM 1053 CG GLN A 66 -13.360 -3.652 -4.863 1.00 0.00 C ATOM 1054 CD GLN A 66 -14.805 -3.548 -5.310 1.00 0.00 C ATOM 1055 OE1 GLN A 66 -15.112 -2.902 -6.312 1.00 0.00 O ATOM 1056 NE2 GLN A 66 -15.703 -4.186 -4.567 1.00 0.00 N ATOM 0 H GLN A 66 -10.408 -3.506 -5.570 1.00 0.00 H new ATOM 0 HA GLN A 66 -11.629 -5.365 -3.856 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -12.230 -4.222 -6.588 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -13.238 -5.499 -5.937 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -13.329 -3.917 -3.806 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -12.882 -2.678 -4.962 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -15.405 -4.710 -3.744 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -16.691 -4.152 -4.819 1.00 0.00 H new ATOM 1065 N GLN A 67 -10.253 -6.621 -6.568 1.00 0.00 N ATOM 1066 CA GLN A 67 -9.836 -7.865 -7.204 1.00 0.00 C ATOM 1067 C GLN A 67 -8.732 -8.544 -6.399 1.00 0.00 C ATOM 1068 O GLN A 67 -8.704 -9.769 -6.277 1.00 0.00 O ATOM 1069 CB GLN A 67 -9.352 -7.596 -8.630 1.00 0.00 C ATOM 1070 CG GLN A 67 -8.721 -8.807 -9.297 1.00 0.00 C ATOM 1071 CD GLN A 67 -7.669 -8.427 -10.321 1.00 0.00 C ATOM 1072 OE1 GLN A 67 -7.736 -8.840 -11.479 1.00 0.00 O ATOM 1073 NE2 GLN A 67 -6.690 -7.636 -9.899 1.00 0.00 N ATOM 0 H GLN A 67 -9.922 -5.777 -7.035 1.00 0.00 H new ATOM 0 HA GLN A 67 -10.697 -8.532 -7.240 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -10.195 -7.257 -9.233 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -8.626 -6.783 -8.611 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -8.269 -9.442 -8.535 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -9.499 -9.396 -9.782 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -6.674 -7.317 -8.930 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -5.954 -7.347 -10.544 1.00 0.00 H new ATOM 1082 N TYR A 68 -7.824 -7.742 -5.854 1.00 0.00 N ATOM 1083 CA TYR A 68 -6.717 -8.267 -5.064 1.00 0.00 C ATOM 1084 C TYR A 68 -7.229 -8.997 -3.827 1.00 0.00 C ATOM 1085 O TYR A 68 -6.720 -10.058 -3.463 1.00 0.00 O ATOM 1086 CB TYR A 68 -5.778 -7.133 -4.650 1.00 0.00 C ATOM 1087 CG TYR A 68 -5.037 -7.402 -3.359 1.00 0.00 C ATOM 1088 CD1 TYR A 68 -3.840 -8.107 -3.356 1.00 0.00 C ATOM 1089 CD2 TYR A 68 -5.537 -6.954 -2.142 1.00 0.00 C ATOM 1090 CE1 TYR A 68 -3.160 -8.356 -2.180 1.00 0.00 C ATOM 1091 CE2 TYR A 68 -4.862 -7.197 -0.961 1.00 0.00 C ATOM 1092 CZ TYR A 68 -3.674 -7.898 -0.984 1.00 0.00 C ATOM 1093 OH TYR A 68 -3.002 -8.144 0.189 1.00 0.00 O ATOM 0 H TYR A 68 -7.833 -6.726 -5.945 1.00 0.00 H new ATOM 0 HA TYR A 68 -6.168 -8.978 -5.681 1.00 0.00 H new ATOM 0 HB2 TYR A 68 -5.054 -6.963 -5.447 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -6.356 -6.215 -4.543 1.00 0.00 H new ATOM 0 HD1 TYR A 68 -3.434 -8.467 -4.290 1.00 0.00 H new ATOM 0 HD2 TYR A 68 -6.468 -6.407 -2.119 1.00 0.00 H new ATOM 0 HE1 TYR A 68 -2.231 -8.906 -2.196 1.00 0.00 H new ATOM 0 HE2 TYR A 68 -5.263 -6.840 -0.024 1.00 0.00 H new ATOM 0 HH TYR A 68 -3.498 -7.753 0.938 1.00 0.00 H new ATOM 1103 N LEU A 69 -8.239 -8.422 -3.184 1.00 0.00 N ATOM 1104 CA LEU A 69 -8.823 -9.018 -1.987 1.00 0.00 C ATOM 1105 C LEU A 69 -9.282 -10.447 -2.258 1.00 0.00 C ATOM 1106 O LEU A 69 -8.872 -11.383 -1.571 1.00 0.00 O ATOM 1107 CB LEU A 69 -10.002 -8.176 -1.497 1.00 0.00 C ATOM 1108 CG LEU A 69 -9.645 -6.908 -0.721 1.00 0.00 C ATOM 1109 CD1 LEU A 69 -10.844 -5.976 -0.638 1.00 0.00 C ATOM 1110 CD2 LEU A 69 -9.143 -7.259 0.672 1.00 0.00 C ATOM 0 H LEU A 69 -8.671 -7.544 -3.471 1.00 0.00 H new ATOM 0 HA LEU A 69 -8.056 -9.043 -1.213 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -10.603 -7.892 -2.361 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -10.630 -8.801 -0.863 1.00 0.00 H new ATOM 0 HG LEU A 69 -8.847 -6.392 -1.254 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -10.570 -5.079 -0.082 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -11.159 -5.697 -1.644 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -11.664 -6.482 -0.129 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -8.894 -6.344 1.210 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -9.920 -7.798 1.214 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -8.255 -7.886 0.591 1.00 0.00 H new ATOM 1122 N LYS A 70 -10.133 -10.608 -3.265 1.00 0.00 N ATOM 1123 CA LYS A 70 -10.646 -11.925 -3.631 1.00 0.00 C ATOM 1124 C LYS A 70 -9.503 -12.909 -3.861 1.00 0.00 C ATOM 1125 O LYS A 70 -9.573 -14.063 -3.441 1.00 0.00 O ATOM 1126 CB LYS A 70 -11.510 -11.826 -4.890 1.00 0.00 C ATOM 1127 CG LYS A 70 -12.718 -10.918 -4.728 1.00 0.00 C ATOM 1128 CD LYS A 70 -13.325 -10.554 -6.073 1.00 0.00 C ATOM 1129 CE LYS A 70 -13.981 -11.758 -6.732 1.00 0.00 C ATOM 1130 NZ LYS A 70 -14.169 -11.555 -8.196 1.00 0.00 N ATOM 0 H LYS A 70 -10.483 -9.844 -3.843 1.00 0.00 H new ATOM 0 HA LYS A 70 -11.257 -12.292 -2.807 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -10.897 -11.459 -5.713 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -11.850 -12.824 -5.167 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -13.468 -11.414 -4.112 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -12.424 -10.010 -4.202 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -14.064 -9.764 -5.938 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -12.550 -10.157 -6.728 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -13.368 -12.643 -6.564 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -14.947 -11.946 -6.264 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -14.619 -12.397 -8.608 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -14.775 -10.725 -8.356 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -13.244 -11.401 -8.647 1.00 0.00 H new ATOM 1144 N GLU A 71 -8.453 -12.443 -4.530 1.00 0.00 N ATOM 1145 CA GLU A 71 -7.296 -13.283 -4.815 1.00 0.00 C ATOM 1146 C GLU A 71 -6.655 -13.783 -3.524 1.00 0.00 C ATOM 1147 O GLU A 71 -5.825 -14.692 -3.540 1.00 0.00 O ATOM 1148 CB GLU A 71 -6.267 -12.510 -5.642 1.00 0.00 C ATOM 1149 CG GLU A 71 -6.718 -12.228 -7.065 1.00 0.00 C ATOM 1150 CD GLU A 71 -6.630 -13.450 -7.959 1.00 0.00 C ATOM 1151 OE1 GLU A 71 -5.575 -14.118 -7.946 1.00 0.00 O ATOM 1152 OE2 GLU A 71 -7.614 -13.737 -8.670 1.00 0.00 O ATOM 0 H GLU A 71 -8.380 -11.489 -4.884 1.00 0.00 H new ATOM 0 HA GLU A 71 -7.638 -14.145 -5.388 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -6.050 -11.565 -5.145 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -5.336 -13.077 -5.670 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -7.746 -11.866 -7.051 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -6.105 -11.431 -7.485 1.00 0.00 H new ATOM 1159 N LEU A 72 -7.047 -13.182 -2.405 1.00 0.00 N ATOM 1160 CA LEU A 72 -6.510 -13.565 -1.104 1.00 0.00 C ATOM 1161 C LEU A 72 -7.365 -14.653 -0.462 1.00 0.00 C ATOM 1162 O LEU A 72 -6.858 -15.703 -0.068 1.00 0.00 O ATOM 1163 CB LEU A 72 -6.438 -12.346 -0.181 1.00 0.00 C ATOM 1164 CG LEU A 72 -5.699 -12.549 1.141 1.00 0.00 C ATOM 1165 CD1 LEU A 72 -4.313 -13.124 0.896 1.00 0.00 C ATOM 1166 CD2 LEU A 72 -5.607 -11.237 1.907 1.00 0.00 C ATOM 0 H LEU A 72 -7.734 -12.429 -2.373 1.00 0.00 H new ATOM 0 HA LEU A 72 -5.505 -13.959 -1.254 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -5.955 -11.533 -0.723 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -7.455 -12.022 0.040 1.00 0.00 H new ATOM 0 HG LEU A 72 -6.263 -13.261 1.744 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -3.802 -13.261 1.849 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -4.402 -14.085 0.390 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -3.739 -12.438 0.273 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -5.078 -11.400 2.846 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -5.067 -10.503 1.309 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -6.611 -10.867 2.116 1.00 0.00 H new ATOM 1178 N TRP A 73 -8.664 -14.395 -0.360 1.00 0.00 N ATOM 1179 CA TRP A 73 -9.589 -15.355 0.232 1.00 0.00 C ATOM 1180 C TRP A 73 -10.241 -16.218 -0.843 1.00 0.00 C ATOM 1181 O TRP A 73 -10.239 -17.444 -0.753 1.00 0.00 O ATOM 1182 CB TRP A 73 -10.665 -14.625 1.039 1.00 0.00 C ATOM 1183 CG TRP A 73 -11.274 -13.468 0.307 1.00 0.00 C ATOM 1184 CD1 TRP A 73 -10.696 -12.255 0.065 1.00 0.00 C ATOM 1185 CD2 TRP A 73 -12.581 -13.416 -0.275 1.00 0.00 C ATOM 1186 NE1 TRP A 73 -11.565 -11.452 -0.634 1.00 0.00 N ATOM 1187 CE2 TRP A 73 -12.728 -12.140 -0.856 1.00 0.00 C ATOM 1188 CE3 TRP A 73 -13.641 -14.322 -0.366 1.00 0.00 C ATOM 1189 CZ2 TRP A 73 -13.891 -11.752 -1.514 1.00 0.00 C ATOM 1190 CZ3 TRP A 73 -14.795 -13.934 -1.019 1.00 0.00 C ATOM 1191 CH2 TRP A 73 -14.913 -12.659 -1.587 1.00 0.00 C ATOM 0 H TRP A 73 -9.100 -13.530 -0.679 1.00 0.00 H new ATOM 0 HA TRP A 73 -9.022 -16.005 0.898 1.00 0.00 H new ATOM 0 HB2 TRP A 73 -11.451 -15.332 1.305 1.00 0.00 H new ATOM 0 HB3 TRP A 73 -10.229 -14.267 1.972 1.00 0.00 H new ATOM 0 HD1 TRP A 73 -9.702 -11.969 0.377 1.00 0.00 H new ATOM 0 HE1 TRP A 73 -11.374 -10.497 -0.938 1.00 0.00 H new ATOM 0 HE3 TRP A 73 -13.560 -15.308 0.067 1.00 0.00 H new ATOM 0 HZ2 TRP A 73 -13.984 -10.769 -1.952 1.00 0.00 H new ATOM 0 HZ3 TRP A 73 -15.621 -14.626 -1.093 1.00 0.00 H new ATOM 0 HH2 TRP A 73 -15.828 -12.387 -2.092 1.00 0.00 H new ATOM 1202 N ALA A 74 -10.799 -15.568 -1.859 1.00 0.00 N ATOM 1203 CA ALA A 74 -11.453 -16.277 -2.953 1.00 0.00 C ATOM 1204 C ALA A 74 -10.571 -17.402 -3.481 1.00 0.00 C ATOM 1205 O ALA A 74 -11.053 -18.326 -4.138 1.00 0.00 O ATOM 1206 CB ALA A 74 -11.805 -15.309 -4.073 1.00 0.00 C ATOM 0 H ALA A 74 -10.811 -14.552 -1.948 1.00 0.00 H new ATOM 0 HA ALA A 74 -12.372 -16.720 -2.569 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -12.292 -15.852 -4.883 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -12.480 -14.542 -3.692 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -10.895 -14.839 -4.447 1.00 0.00 H new ATOM 1212 N TYR A 75 -9.277 -17.321 -3.193 1.00 0.00 N ATOM 1213 CA TYR A 75 -8.327 -18.331 -3.642 1.00 0.00 C ATOM 1214 C TYR A 75 -8.055 -19.350 -2.541 1.00 0.00 C ATOM 1215 O TYR A 75 -7.920 -20.544 -2.805 1.00 0.00 O ATOM 1216 CB TYR A 75 -7.017 -17.672 -4.079 1.00 0.00 C ATOM 1217 CG TYR A 75 -5.808 -18.565 -3.917 1.00 0.00 C ATOM 1218 CD1 TYR A 75 -5.567 -19.609 -4.803 1.00 0.00 C ATOM 1219 CD2 TYR A 75 -4.906 -18.365 -2.880 1.00 0.00 C ATOM 1220 CE1 TYR A 75 -4.463 -20.426 -4.658 1.00 0.00 C ATOM 1221 CE2 TYR A 75 -3.798 -19.177 -2.729 1.00 0.00 C ATOM 1222 CZ TYR A 75 -3.582 -20.207 -3.620 1.00 0.00 C ATOM 1223 OH TYR A 75 -2.481 -21.018 -3.474 1.00 0.00 O ATOM 0 H TYR A 75 -8.861 -16.565 -2.649 1.00 0.00 H new ATOM 0 HA TYR A 75 -8.765 -18.852 -4.494 1.00 0.00 H new ATOM 0 HB2 TYR A 75 -7.101 -17.374 -5.124 1.00 0.00 H new ATOM 0 HB3 TYR A 75 -6.866 -16.762 -3.499 1.00 0.00 H new ATOM 0 HD1 TYR A 75 -6.254 -19.784 -5.618 1.00 0.00 H new ATOM 0 HD2 TYR A 75 -5.073 -17.561 -2.179 1.00 0.00 H new ATOM 0 HE1 TYR A 75 -4.290 -21.233 -5.355 1.00 0.00 H new ATOM 0 HE2 TYR A 75 -3.105 -19.006 -1.918 1.00 0.00 H new ATOM 0 HH TYR A 75 -1.962 -20.728 -2.695 1.00 0.00 H new ATOM 1233 N GLN A 76 -7.976 -18.869 -1.304 1.00 0.00 N ATOM 1234 CA GLN A 76 -7.719 -19.738 -0.161 1.00 0.00 C ATOM 1235 C GLN A 76 -8.885 -20.693 0.069 1.00 0.00 C ATOM 1236 O GLN A 76 -8.820 -21.571 0.929 1.00 0.00 O ATOM 1237 CB GLN A 76 -7.473 -18.902 1.096 1.00 0.00 C ATOM 1238 CG GLN A 76 -6.054 -18.368 1.203 1.00 0.00 C ATOM 1239 CD GLN A 76 -5.804 -17.632 2.505 1.00 0.00 C ATOM 1240 OE1 GLN A 76 -5.086 -18.121 3.379 1.00 0.00 O ATOM 1241 NE2 GLN A 76 -6.395 -16.452 2.642 1.00 0.00 N ATOM 0 H GLN A 76 -8.086 -17.883 -1.068 1.00 0.00 H new ATOM 0 HA GLN A 76 -6.828 -20.327 -0.377 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -8.170 -18.064 1.107 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -7.691 -19.509 1.975 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -5.351 -19.196 1.117 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -5.859 -17.696 0.367 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -6.981 -16.085 1.892 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -6.263 -15.912 3.497 1.00 0.00 H new ATOM 1250 N GLN A 77 -9.951 -20.516 -0.705 1.00 0.00 N ATOM 1251 CA GLN A 77 -11.132 -21.361 -0.585 1.00 0.00 C ATOM 1252 C GLN A 77 -11.529 -21.940 -1.939 1.00 0.00 C ATOM 1253 O GLN A 77 -12.673 -21.803 -2.373 1.00 0.00 O ATOM 1254 CB GLN A 77 -12.298 -20.565 0.004 1.00 0.00 C ATOM 1255 CG GLN A 77 -12.686 -19.353 -0.826 1.00 0.00 C ATOM 1256 CD GLN A 77 -13.334 -18.261 0.004 1.00 0.00 C ATOM 1257 OE1 GLN A 77 -14.436 -17.804 -0.302 1.00 0.00 O ATOM 1258 NE2 GLN A 77 -12.652 -17.837 1.061 1.00 0.00 N ATOM 0 H GLN A 77 -10.020 -19.794 -1.422 1.00 0.00 H new ATOM 0 HA GLN A 77 -10.889 -22.186 0.085 1.00 0.00 H new ATOM 0 HB2 GLN A 77 -13.163 -21.221 0.101 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -12.033 -20.237 1.009 1.00 0.00 H new ATOM 0 HG2 GLN A 77 -11.798 -18.953 -1.316 1.00 0.00 H new ATOM 0 HG3 GLN A 77 -13.373 -19.662 -1.614 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -11.742 -18.244 1.278 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -13.038 -17.104 1.657 1.00 0.00 H new ATOM 1267 N SER A 78 -10.575 -22.586 -2.602 1.00 0.00 N ATOM 1268 CA SER A 78 -10.824 -23.182 -3.909 1.00 0.00 C ATOM 1269 C SER A 78 -10.528 -24.679 -3.889 1.00 0.00 C ATOM 1270 O SER A 78 -9.707 -25.149 -3.104 1.00 0.00 O ATOM 1271 CB SER A 78 -9.969 -22.497 -4.978 1.00 0.00 C ATOM 1272 OG SER A 78 -10.180 -21.096 -4.977 1.00 0.00 O ATOM 0 H SER A 78 -9.624 -22.710 -2.256 1.00 0.00 H new ATOM 0 HA SER A 78 -11.877 -23.040 -4.150 1.00 0.00 H new ATOM 0 HB2 SER A 78 -8.915 -22.710 -4.797 1.00 0.00 H new ATOM 0 HB3 SER A 78 -10.212 -22.904 -5.959 1.00 0.00 H new ATOM 0 HG SER A 78 -9.622 -20.681 -5.667 1.00 0.00 H new ATOM 1278 N GLU A 79 -11.206 -25.421 -4.760 1.00 0.00 N ATOM 1279 CA GLU A 79 -11.018 -26.866 -4.841 1.00 0.00 C ATOM 1280 C GLU A 79 -9.536 -27.215 -4.947 1.00 0.00 C ATOM 1281 O GLU A 79 -9.111 -28.291 -4.527 1.00 0.00 O ATOM 1282 CB GLU A 79 -11.774 -27.433 -6.044 1.00 0.00 C ATOM 1283 CG GLU A 79 -13.283 -27.451 -5.862 1.00 0.00 C ATOM 1284 CD GLU A 79 -13.980 -28.354 -6.859 1.00 0.00 C ATOM 1285 OE1 GLU A 79 -13.750 -28.187 -8.075 1.00 0.00 O ATOM 1286 OE2 GLU A 79 -14.758 -29.229 -6.423 1.00 0.00 O ATOM 0 H GLU A 79 -11.889 -25.046 -5.418 1.00 0.00 H new ATOM 0 HA GLU A 79 -11.415 -27.311 -3.929 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -11.530 -26.842 -6.927 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -11.427 -28.449 -6.234 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -13.519 -27.782 -4.851 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -13.670 -26.437 -5.964 1.00 0.00 H new ATOM 1293 N ALA A 80 -8.756 -26.298 -5.510 1.00 0.00 N ATOM 1294 CA ALA A 80 -7.323 -26.508 -5.670 1.00 0.00 C ATOM 1295 C ALA A 80 -6.594 -26.355 -4.339 1.00 0.00 C ATOM 1296 O ALA A 80 -5.797 -27.211 -3.955 1.00 0.00 O ATOM 1297 CB ALA A 80 -6.759 -25.538 -6.699 1.00 0.00 C ATOM 0 H ALA A 80 -9.093 -25.402 -5.863 1.00 0.00 H new ATOM 0 HA ALA A 80 -7.167 -27.527 -6.024 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -5.688 -25.706 -6.808 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -7.251 -25.698 -7.658 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -6.934 -24.514 -6.368 1.00 0.00 H new ATOM 1303 N TYR A 81 -6.872 -25.259 -3.642 1.00 0.00 N ATOM 1304 CA TYR A 81 -6.240 -24.992 -2.356 1.00 0.00 C ATOM 1305 C TYR A 81 -6.196 -26.253 -1.498 1.00 0.00 C ATOM 1306 O TYR A 81 -5.237 -26.484 -0.761 1.00 0.00 O ATOM 1307 CB TYR A 81 -6.991 -23.884 -1.614 1.00 0.00 C ATOM 1308 CG TYR A 81 -6.401 -23.553 -0.262 1.00 0.00 C ATOM 1309 CD1 TYR A 81 -5.385 -22.613 -0.136 1.00 0.00 C ATOM 1310 CD2 TYR A 81 -6.860 -24.179 0.890 1.00 0.00 C ATOM 1311 CE1 TYR A 81 -4.844 -22.307 1.097 1.00 0.00 C ATOM 1312 CE2 TYR A 81 -6.326 -23.879 2.127 1.00 0.00 C ATOM 1313 CZ TYR A 81 -5.317 -22.943 2.226 1.00 0.00 C ATOM 1314 OH TYR A 81 -4.780 -22.641 3.457 1.00 0.00 O ATOM 0 H TYR A 81 -7.530 -24.542 -3.946 1.00 0.00 H new ATOM 0 HA TYR A 81 -5.217 -24.666 -2.544 1.00 0.00 H new ATOM 0 HB2 TYR A 81 -6.995 -22.984 -2.229 1.00 0.00 H new ATOM 0 HB3 TYR A 81 -8.030 -24.186 -1.484 1.00 0.00 H new ATOM 0 HD1 TYR A 81 -5.012 -22.113 -1.018 1.00 0.00 H new ATOM 0 HD2 TYR A 81 -7.649 -24.913 0.817 1.00 0.00 H new ATOM 0 HE1 TYR A 81 -4.055 -21.574 1.177 1.00 0.00 H new ATOM 0 HE2 TYR A 81 -6.696 -24.374 3.013 1.00 0.00 H new ATOM 0 HH TYR A 81 -5.225 -23.175 4.148 1.00 0.00 H new ATOM 1324 N LYS A 82 -7.241 -27.067 -1.600 1.00 0.00 N ATOM 1325 CA LYS A 82 -7.323 -28.306 -0.837 1.00 0.00 C ATOM 1326 C LYS A 82 -6.669 -29.457 -1.594 1.00 0.00 C ATOM 1327 O LYS A 82 -5.702 -30.055 -1.122 1.00 0.00 O ATOM 1328 CB LYS A 82 -8.785 -28.647 -0.533 1.00 0.00 C ATOM 1329 CG LYS A 82 -9.463 -27.650 0.391 1.00 0.00 C ATOM 1330 CD LYS A 82 -10.846 -28.124 0.803 1.00 0.00 C ATOM 1331 CE LYS A 82 -11.632 -27.018 1.491 1.00 0.00 C ATOM 1332 NZ LYS A 82 -12.935 -27.510 2.017 1.00 0.00 N ATOM 0 H LYS A 82 -8.044 -26.890 -2.204 1.00 0.00 H new ATOM 0 HA LYS A 82 -6.787 -28.161 0.101 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -9.340 -28.697 -1.470 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -8.832 -29.638 -0.082 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -8.849 -27.500 1.279 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -9.542 -26.685 -0.109 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -11.391 -28.467 -0.076 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -10.754 -28.978 1.474 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -11.041 -26.608 2.310 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -11.808 -26.205 0.787 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -13.441 -26.727 2.479 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -13.509 -27.878 1.232 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -12.766 -28.268 2.708 1.00 0.00 H new ATOM 1346 N VAL A 83 -7.202 -29.762 -2.773 1.00 0.00 N ATOM 1347 CA VAL A 83 -6.667 -30.839 -3.598 1.00 0.00 C ATOM 1348 C VAL A 83 -6.091 -31.957 -2.737 1.00 0.00 C ATOM 1349 O VAL A 83 -5.062 -32.544 -3.071 1.00 0.00 O ATOM 1350 CB VAL A 83 -5.573 -30.325 -4.552 1.00 0.00 C ATOM 1351 CG1 VAL A 83 -4.316 -29.960 -3.776 1.00 0.00 C ATOM 1352 CG2 VAL A 83 -5.266 -31.365 -5.620 1.00 0.00 C ATOM 0 H VAL A 83 -8.004 -29.279 -3.178 1.00 0.00 H new ATOM 0 HA VAL A 83 -7.498 -31.229 -4.186 1.00 0.00 H new ATOM 0 HB VAL A 83 -5.940 -29.426 -5.047 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -3.554 -29.599 -4.467 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -4.549 -29.179 -3.052 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -3.943 -30.840 -3.252 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -4.491 -30.985 -6.286 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -4.919 -32.283 -5.145 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -6.168 -31.573 -6.195 1.00 0.00 H new ATOM 1362 N CYS A 84 -6.763 -32.247 -1.628 1.00 0.00 N ATOM 1363 CA CYS A 84 -6.318 -33.295 -0.716 1.00 0.00 C ATOM 1364 C CYS A 84 -7.506 -34.073 -0.161 1.00 0.00 C ATOM 1365 O CYS A 84 -8.560 -33.502 0.120 1.00 0.00 O ATOM 1366 CB CYS A 84 -5.506 -32.692 0.431 1.00 0.00 C ATOM 1367 SG CYS A 84 -3.735 -32.564 0.096 1.00 0.00 S ATOM 0 H CYS A 84 -7.618 -31.771 -1.339 1.00 0.00 H new ATOM 0 HA CYS A 84 -5.685 -33.984 -1.275 1.00 0.00 H new ATOM 0 HB2 CYS A 84 -5.895 -31.699 0.654 1.00 0.00 H new ATOM 0 HB3 CYS A 84 -5.653 -33.300 1.324 1.00 0.00 H new ATOM 0 HG CYS A 84 -3.136 -32.040 1.124 1.00 0.00 H new ATOM 1373 N THR A 85 -7.330 -35.383 -0.007 1.00 0.00 N ATOM 1374 CA THR A 85 -8.388 -36.240 0.511 1.00 0.00 C ATOM 1375 C THR A 85 -8.008 -36.823 1.866 1.00 0.00 C ATOM 1376 O THR A 85 -6.827 -36.948 2.190 1.00 0.00 O ATOM 1377 CB THR A 85 -8.704 -37.393 -0.461 1.00 0.00 C ATOM 1378 OG1 THR A 85 -7.525 -38.167 -0.702 1.00 0.00 O ATOM 1379 CG2 THR A 85 -9.243 -36.856 -1.780 1.00 0.00 C ATOM 0 H THR A 85 -6.464 -35.872 -0.234 1.00 0.00 H new ATOM 0 HA THR A 85 -9.274 -35.616 0.622 1.00 0.00 H new ATOM 0 HB THR A 85 -9.466 -38.025 -0.005 1.00 0.00 H new ATOM 0 HG1 THR A 85 -7.735 -38.899 -1.319 1.00 0.00 H new ATOM 0 HG21 THR A 85 -9.459 -37.688 -2.450 1.00 0.00 H new ATOM 0 HG22 THR A 85 -10.157 -36.291 -1.597 1.00 0.00 H new ATOM 0 HG23 THR A 85 -8.499 -36.204 -2.239 1.00 0.00 H new ATOM 1387 N GLU A 86 -9.017 -37.181 2.656 1.00 0.00 N ATOM 1388 CA GLU A 86 -8.786 -37.752 3.977 1.00 0.00 C ATOM 1389 C GLU A 86 -9.772 -38.881 4.261 1.00 0.00 C ATOM 1390 O GLU A 86 -10.966 -38.760 3.989 1.00 0.00 O ATOM 1391 CB GLU A 86 -8.907 -36.671 5.052 1.00 0.00 C ATOM 1392 CG GLU A 86 -8.315 -37.075 6.393 1.00 0.00 C ATOM 1393 CD GLU A 86 -6.887 -37.574 6.273 1.00 0.00 C ATOM 1394 OE1 GLU A 86 -5.975 -36.733 6.139 1.00 0.00 O ATOM 1395 OE2 GLU A 86 -6.685 -38.806 6.313 1.00 0.00 O ATOM 0 H GLU A 86 -10.001 -37.085 2.403 1.00 0.00 H new ATOM 0 HA GLU A 86 -7.776 -38.162 3.997 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -8.409 -35.766 4.703 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -9.960 -36.423 5.189 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -8.342 -36.221 7.070 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -8.932 -37.855 6.839 1.00 0.00 H new ATOM 1402 N SER A 87 -9.263 -39.980 4.811 1.00 0.00 N ATOM 1403 CA SER A 87 -10.098 -41.133 5.129 1.00 0.00 C ATOM 1404 C SER A 87 -11.409 -40.693 5.773 1.00 0.00 C ATOM 1405 O SER A 87 -11.413 -39.971 6.769 1.00 0.00 O ATOM 1406 CB SER A 87 -9.352 -42.087 6.063 1.00 0.00 C ATOM 1407 OG SER A 87 -9.338 -41.593 7.392 1.00 0.00 O ATOM 0 H SER A 87 -8.277 -40.096 5.045 1.00 0.00 H new ATOM 0 HA SER A 87 -10.327 -41.653 4.199 1.00 0.00 H new ATOM 0 HB2 SER A 87 -9.827 -43.068 6.041 1.00 0.00 H new ATOM 0 HB3 SER A 87 -8.329 -42.220 5.710 1.00 0.00 H new ATOM 0 HG SER A 87 -10.062 -40.943 7.507 1.00 0.00 H new ATOM 1413 N GLY A 88 -12.523 -41.135 5.198 1.00 0.00 N ATOM 1414 CA GLY A 88 -13.826 -40.779 5.728 1.00 0.00 C ATOM 1415 C GLY A 88 -14.692 -41.992 6.003 1.00 0.00 C ATOM 1416 O GLY A 88 -14.218 -43.127 6.025 1.00 0.00 O ATOM 0 H GLY A 88 -12.546 -41.734 4.373 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -13.697 -40.212 6.650 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -14.336 -40.125 5.021 1.00 0.00 H new ATOM 1420 N PRO A 89 -15.994 -41.756 6.221 1.00 0.00 N ATOM 1421 CA PRO A 89 -16.956 -42.826 6.501 1.00 0.00 C ATOM 1422 C PRO A 89 -17.219 -43.703 5.282 1.00 0.00 C ATOM 1423 O PRO A 89 -17.759 -44.803 5.402 1.00 0.00 O ATOM 1424 CB PRO A 89 -18.226 -42.067 6.898 1.00 0.00 C ATOM 1425 CG PRO A 89 -18.099 -40.742 6.230 1.00 0.00 C ATOM 1426 CD PRO A 89 -16.629 -40.427 6.211 1.00 0.00 C ATOM 0 HA PRO A 89 -16.593 -43.509 7.269 1.00 0.00 H new ATOM 0 HB2 PRO A 89 -19.121 -42.593 6.567 1.00 0.00 H new ATOM 0 HB3 PRO A 89 -18.301 -41.959 7.980 1.00 0.00 H new ATOM 0 HG2 PRO A 89 -18.504 -40.774 5.219 1.00 0.00 H new ATOM 0 HG3 PRO A 89 -18.655 -39.977 6.772 1.00 0.00 H new ATOM 0 HD2 PRO A 89 -16.352 -39.856 5.325 1.00 0.00 H new ATOM 0 HD3 PRO A 89 -16.334 -39.834 7.077 1.00 0.00 H new ATOM 1434 N SER A 90 -16.832 -43.211 4.110 1.00 0.00 N ATOM 1435 CA SER A 90 -17.029 -43.949 2.868 1.00 0.00 C ATOM 1436 C SER A 90 -16.673 -45.421 3.050 1.00 0.00 C ATOM 1437 O SER A 90 -15.605 -45.756 3.562 1.00 0.00 O ATOM 1438 CB SER A 90 -16.181 -43.342 1.749 1.00 0.00 C ATOM 1439 OG SER A 90 -16.161 -44.184 0.609 1.00 0.00 O ATOM 0 H SER A 90 -16.380 -42.304 3.994 1.00 0.00 H new ATOM 0 HA SER A 90 -18.082 -43.878 2.595 1.00 0.00 H new ATOM 0 HB2 SER A 90 -16.579 -42.365 1.476 1.00 0.00 H new ATOM 0 HB3 SER A 90 -15.163 -43.183 2.105 1.00 0.00 H new ATOM 0 HG SER A 90 -15.614 -43.773 -0.092 1.00 0.00 H new ATOM 1445 N SER A 91 -17.577 -46.299 2.625 1.00 0.00 N ATOM 1446 CA SER A 91 -17.362 -47.737 2.743 1.00 0.00 C ATOM 1447 C SER A 91 -16.516 -48.256 1.585 1.00 0.00 C ATOM 1448 O SER A 91 -16.643 -47.793 0.452 1.00 0.00 O ATOM 1449 CB SER A 91 -18.703 -48.472 2.781 1.00 0.00 C ATOM 1450 OG SER A 91 -19.370 -48.255 4.013 1.00 0.00 O ATOM 0 H SER A 91 -18.465 -46.039 2.196 1.00 0.00 H new ATOM 0 HA SER A 91 -16.826 -47.925 3.673 1.00 0.00 H new ATOM 0 HB2 SER A 91 -19.332 -48.130 1.959 1.00 0.00 H new ATOM 0 HB3 SER A 91 -18.540 -49.540 2.635 1.00 0.00 H new ATOM 0 HG SER A 91 -20.225 -48.734 4.011 1.00 0.00 H new ATOM 1456 N GLY A 92 -15.651 -49.222 1.878 1.00 0.00 N ATOM 1457 CA GLY A 92 -14.796 -49.790 0.853 1.00 0.00 C ATOM 1458 C GLY A 92 -15.140 -51.234 0.545 1.00 0.00 C ATOM 1459 O GLY A 92 -15.737 -51.926 1.370 1.00 0.00 O ATOM 0 H GLY A 92 -15.527 -49.622 2.808 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -14.883 -49.197 -0.058 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -13.757 -49.728 1.176 1.00 0.00 H new TER 1463 GLY A 92