USER MOD reduce.3.24.130724 H: found=0, std=0, add=810, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 808 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 Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 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 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot -12:sc= 0.974 USER MOD Single : A 20 THR OG1 : rot -119:sc= 0.98 USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 35 GLN :FLIP amide:sc= 0 F(o=-1,f=0) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 48 THR OG1 : rot -160:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 SER OG : rot 73:sc= -0.777 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ 159:sc= -0.112 (180deg=-1.33) USER MOD Single : A 71 CYS SG : rot -50:sc= -1.46 USER MOD Single : A 78 ASN : amide:sc= -1.06 K(o=-1.1,f=-6.9!) USER MOD Single : A 82 TYR OH : rot 180:sc=-0.00139 USER MOD Single : A 83 MET CE :methyl -139:sc= -0.0307 (180deg=-0.0799) USER MOD Single : A 85 SER OG : rot 155:sc= 0.425 USER MOD Single : A 86 THR OG1 : rot 180:sc= 0.0905 USER MOD Single : A 92 GLN : amide:sc= -2.71! C(o=-2.7!,f=-14!) USER MOD Single : A 97 LYS NZ :NH3+ 159:sc= -0.883 (180deg=-1.39) USER MOD Single : A 105 SER OG : rot 10:sc= 1.05 USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -25.880 2.907 34.698 1.00 0.00 N ATOM 2 CA GLY A 1 -27.063 3.199 33.907 1.00 0.00 C ATOM 3 C GLY A 1 -27.423 2.019 33.003 1.00 0.00 C ATOM 4 O GLY A 1 -27.069 2.004 31.825 1.00 0.00 O ATOM 0 H1 GLY A 1 -25.657 3.723 35.303 1.00 0.00 H new ATOM 0 H2 GLY A 1 -26.058 2.073 35.293 1.00 0.00 H new ATOM 0 H3 GLY A 1 -25.078 2.716 34.065 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -27.900 3.424 34.568 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -26.889 4.087 33.300 1.00 0.00 H new ATOM 8 N SER A 2 -28.123 1.058 33.588 1.00 0.00 N ATOM 9 CA SER A 2 -28.535 -0.124 32.849 1.00 0.00 C ATOM 10 C SER A 2 -29.334 0.285 31.610 1.00 0.00 C ATOM 11 O SER A 2 -29.866 1.393 31.548 1.00 0.00 O ATOM 12 CB SER A 2 -29.363 -1.063 33.729 1.00 0.00 C ATOM 13 OG SER A 2 -30.494 -0.405 34.295 1.00 0.00 O ATOM 0 H SER A 2 -28.415 1.074 34.565 1.00 0.00 H new ATOM 0 HA SER A 2 -27.639 -0.660 32.535 1.00 0.00 H new ATOM 0 HB2 SER A 2 -29.698 -1.914 33.136 1.00 0.00 H new ATOM 0 HB3 SER A 2 -28.736 -1.458 34.528 1.00 0.00 H new ATOM 0 HG SER A 2 -30.998 -1.038 34.848 1.00 0.00 H new ATOM 19 N SER A 3 -29.394 -0.630 30.655 1.00 0.00 N ATOM 20 CA SER A 3 -30.120 -0.379 29.422 1.00 0.00 C ATOM 21 C SER A 3 -29.440 0.744 28.634 1.00 0.00 C ATOM 22 O SER A 3 -29.553 1.915 28.993 1.00 0.00 O ATOM 23 CB SER A 3 -31.580 -0.019 29.705 1.00 0.00 C ATOM 24 OG SER A 3 -32.484 -0.856 28.990 1.00 0.00 O ATOM 0 H SER A 3 -28.951 -1.547 30.710 1.00 0.00 H new ATOM 0 HA SER A 3 -30.108 -1.292 28.827 1.00 0.00 H new ATOM 0 HB2 SER A 3 -31.774 -0.106 30.774 1.00 0.00 H new ATOM 0 HB3 SER A 3 -31.756 1.021 29.432 1.00 0.00 H new ATOM 0 HG SER A 3 -33.405 -0.596 29.199 1.00 0.00 H new ATOM 30 N GLY A 4 -28.749 0.346 27.576 1.00 0.00 N ATOM 31 CA GLY A 4 -28.051 1.304 26.735 1.00 0.00 C ATOM 32 C GLY A 4 -26.744 1.757 27.389 1.00 0.00 C ATOM 33 O GLY A 4 -26.727 2.122 28.564 1.00 0.00 O ATOM 0 H GLY A 4 -28.657 -0.626 27.282 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -27.840 0.855 25.764 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -28.690 2.168 26.554 1.00 0.00 H new ATOM 37 N SER A 5 -25.680 1.719 26.600 1.00 0.00 N ATOM 38 CA SER A 5 -24.372 2.122 27.087 1.00 0.00 C ATOM 39 C SER A 5 -23.708 3.066 26.083 1.00 0.00 C ATOM 40 O SER A 5 -23.950 2.970 24.881 1.00 0.00 O ATOM 41 CB SER A 5 -23.481 0.904 27.341 1.00 0.00 C ATOM 42 OG SER A 5 -23.082 0.810 28.706 1.00 0.00 O ATOM 0 H SER A 5 -25.697 1.415 25.626 1.00 0.00 H new ATOM 0 HA SER A 5 -24.505 2.645 28.034 1.00 0.00 H new ATOM 0 HB2 SER A 5 -24.016 -0.002 27.056 1.00 0.00 H new ATOM 0 HB3 SER A 5 -22.596 0.964 26.708 1.00 0.00 H new ATOM 0 HG SER A 5 -22.516 0.019 28.828 1.00 0.00 H new ATOM 48 N SER A 6 -22.883 3.957 26.614 1.00 0.00 N ATOM 49 CA SER A 6 -22.182 4.918 25.780 1.00 0.00 C ATOM 50 C SER A 6 -21.165 4.197 24.892 1.00 0.00 C ATOM 51 O SER A 6 -21.227 4.294 23.668 1.00 0.00 O ATOM 52 CB SER A 6 -21.484 5.981 26.631 1.00 0.00 C ATOM 53 OG SER A 6 -22.412 6.893 27.213 1.00 0.00 O ATOM 0 H SER A 6 -22.685 4.033 27.612 1.00 0.00 H new ATOM 0 HA SER A 6 -22.915 5.421 25.149 1.00 0.00 H new ATOM 0 HB2 SER A 6 -20.910 5.495 27.420 1.00 0.00 H new ATOM 0 HB3 SER A 6 -20.774 6.531 26.013 1.00 0.00 H new ATOM 0 HG SER A 6 -21.928 7.555 27.750 1.00 0.00 H new ATOM 59 N GLY A 7 -20.254 3.491 25.545 1.00 0.00 N ATOM 60 CA GLY A 7 -19.225 2.754 24.831 1.00 0.00 C ATOM 61 C GLY A 7 -18.605 1.675 25.720 1.00 0.00 C ATOM 62 O GLY A 7 -18.563 1.821 26.941 1.00 0.00 O ATOM 0 H GLY A 7 -20.207 3.414 26.561 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -19.654 2.294 23.941 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -18.449 3.441 24.493 1.00 0.00 H new ATOM 66 N PHE A 8 -18.140 0.616 25.075 1.00 0.00 N ATOM 67 CA PHE A 8 -17.524 -0.487 25.792 1.00 0.00 C ATOM 68 C PHE A 8 -16.346 -1.063 25.005 1.00 0.00 C ATOM 69 O PHE A 8 -15.242 -1.187 25.535 1.00 0.00 O ATOM 70 CB PHE A 8 -18.594 -1.570 25.952 1.00 0.00 C ATOM 71 CG PHE A 8 -18.393 -2.468 27.174 1.00 0.00 C ATOM 72 CD1 PHE A 8 -18.668 -1.994 28.419 1.00 0.00 C ATOM 73 CD2 PHE A 8 -17.940 -3.740 27.015 1.00 0.00 C ATOM 74 CE1 PHE A 8 -18.481 -2.827 29.553 1.00 0.00 C ATOM 75 CE2 PHE A 8 -17.754 -4.574 28.150 1.00 0.00 C ATOM 76 CZ PHE A 8 -18.028 -4.100 29.395 1.00 0.00 C ATOM 0 H PHE A 8 -18.177 0.498 24.063 1.00 0.00 H new ATOM 0 HA PHE A 8 -17.148 -0.141 26.755 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -19.572 -1.093 26.021 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -18.605 -2.190 25.056 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -19.029 -0.984 28.545 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -17.722 -4.116 26.026 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -18.698 -2.450 30.541 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -17.395 -5.585 28.024 1.00 0.00 H new ATOM 0 HZ PHE A 8 -17.886 -4.734 30.258 1.00 0.00 H new ATOM 86 N PHE A 9 -16.620 -1.401 23.754 1.00 0.00 N ATOM 87 CA PHE A 9 -15.596 -1.961 22.889 1.00 0.00 C ATOM 88 C PHE A 9 -14.768 -0.855 22.231 1.00 0.00 C ATOM 89 O PHE A 9 -15.040 0.328 22.427 1.00 0.00 O ATOM 90 CB PHE A 9 -16.317 -2.758 21.800 1.00 0.00 C ATOM 91 CG PHE A 9 -15.847 -4.209 21.676 1.00 0.00 C ATOM 92 CD1 PHE A 9 -16.084 -5.089 22.686 1.00 0.00 C ATOM 93 CD2 PHE A 9 -15.192 -4.619 20.557 1.00 0.00 C ATOM 94 CE1 PHE A 9 -15.648 -6.436 22.571 1.00 0.00 C ATOM 95 CE2 PHE A 9 -14.756 -5.965 20.442 1.00 0.00 C ATOM 96 CZ PHE A 9 -14.993 -6.845 21.452 1.00 0.00 C ATOM 0 H PHE A 9 -17.537 -1.298 23.319 1.00 0.00 H new ATOM 0 HA PHE A 9 -14.919 -2.587 23.471 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -17.387 -2.750 22.007 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -16.173 -2.257 20.842 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -16.604 -4.764 23.575 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -15.003 -3.920 19.755 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -15.837 -7.135 23.372 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -14.236 -6.290 19.553 1.00 0.00 H new ATOM 0 HZ PHE A 9 -14.661 -7.869 21.365 1.00 0.00 H new ATOM 106 N LYS A 10 -13.775 -1.280 21.463 1.00 0.00 N ATOM 107 CA LYS A 10 -12.906 -0.340 20.775 1.00 0.00 C ATOM 108 C LYS A 10 -12.280 0.611 21.797 1.00 0.00 C ATOM 109 O LYS A 10 -12.897 1.599 22.191 1.00 0.00 O ATOM 110 CB LYS A 10 -13.668 0.374 19.657 1.00 0.00 C ATOM 111 CG LYS A 10 -13.259 -0.164 18.285 1.00 0.00 C ATOM 112 CD LYS A 10 -13.736 0.766 17.167 1.00 0.00 C ATOM 113 CE LYS A 10 -15.132 0.370 16.682 1.00 0.00 C ATOM 114 NZ LYS A 10 -15.114 0.080 15.231 1.00 0.00 N ATOM 0 H LYS A 10 -13.553 -2.262 21.302 1.00 0.00 H new ATOM 0 HA LYS A 10 -12.087 -0.867 20.285 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -14.740 0.240 19.799 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -13.472 1.445 19.705 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -12.175 -0.267 18.239 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -13.680 -1.159 18.140 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -13.750 1.795 17.526 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -13.034 0.729 16.334 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -15.479 -0.506 17.230 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -15.837 1.175 16.889 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -16.069 -0.187 14.918 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -14.804 0.926 14.712 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -14.456 -0.703 15.042 1.00 0.00 H new ATOM 128 N GLY A 11 -11.061 0.278 22.198 1.00 0.00 N ATOM 129 CA GLY A 11 -10.344 1.090 23.166 1.00 0.00 C ATOM 130 C GLY A 11 -8.836 1.033 22.920 1.00 0.00 C ATOM 131 O GLY A 11 -8.090 0.492 23.736 1.00 0.00 O ATOM 0 H GLY A 11 -10.552 -0.543 21.870 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -10.687 2.123 23.105 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -10.565 0.740 24.174 1.00 0.00 H new ATOM 135 N ALA A 12 -8.430 1.598 21.792 1.00 0.00 N ATOM 136 CA ALA A 12 -7.024 1.618 21.428 1.00 0.00 C ATOM 137 C ALA A 12 -6.548 0.187 21.170 1.00 0.00 C ATOM 138 O ALA A 12 -6.256 -0.553 22.108 1.00 0.00 O ATOM 139 CB ALA A 12 -6.221 2.309 22.532 1.00 0.00 C ATOM 0 H ALA A 12 -9.051 2.046 21.118 1.00 0.00 H new ATOM 0 HA ALA A 12 -6.873 2.186 20.510 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -5.166 2.324 22.259 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -6.578 3.331 22.656 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -6.346 1.765 23.468 1.00 0.00 H new ATOM 145 N ALA A 13 -6.485 -0.160 19.892 1.00 0.00 N ATOM 146 CA ALA A 13 -6.049 -1.489 19.498 1.00 0.00 C ATOM 147 C ALA A 13 -5.704 -1.487 18.008 1.00 0.00 C ATOM 148 O ALA A 13 -6.537 -1.838 17.174 1.00 0.00 O ATOM 149 CB ALA A 13 -7.138 -2.506 19.844 1.00 0.00 C ATOM 0 H ALA A 13 -6.729 0.456 19.117 1.00 0.00 H new ATOM 0 HA ALA A 13 -5.150 -1.776 20.043 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -6.812 -3.503 19.549 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -7.324 -2.488 20.918 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -8.055 -2.252 19.312 1.00 0.00 H new ATOM 155 N SER A 14 -4.475 -1.087 17.718 1.00 0.00 N ATOM 156 CA SER A 14 -4.010 -1.034 16.342 1.00 0.00 C ATOM 157 C SER A 14 -4.930 -0.138 15.512 1.00 0.00 C ATOM 158 O SER A 14 -6.022 0.216 15.955 1.00 0.00 O ATOM 159 CB SER A 14 -3.941 -2.435 15.731 1.00 0.00 C ATOM 160 OG SER A 14 -2.658 -2.712 15.175 1.00 0.00 O ATOM 0 H SER A 14 -3.787 -0.796 18.412 1.00 0.00 H new ATOM 0 HA SER A 14 -3.004 -0.614 16.337 1.00 0.00 H new ATOM 0 HB2 SER A 14 -4.172 -3.176 16.496 1.00 0.00 H new ATOM 0 HB3 SER A 14 -4.701 -2.530 14.955 1.00 0.00 H new ATOM 0 HG SER A 14 -2.654 -3.616 14.797 1.00 0.00 H new ATOM 166 N SER A 15 -4.456 0.205 14.324 1.00 0.00 N ATOM 167 CA SER A 15 -5.222 1.054 13.428 1.00 0.00 C ATOM 168 C SER A 15 -5.153 0.506 12.001 1.00 0.00 C ATOM 169 O SER A 15 -4.133 0.647 11.328 1.00 0.00 O ATOM 170 CB SER A 15 -4.716 2.497 13.468 1.00 0.00 C ATOM 171 OG SER A 15 -3.580 2.688 12.628 1.00 0.00 O ATOM 0 H SER A 15 -3.550 -0.090 13.960 1.00 0.00 H new ATOM 0 HA SER A 15 -6.260 1.053 13.761 1.00 0.00 H new ATOM 0 HB2 SER A 15 -5.515 3.170 13.156 1.00 0.00 H new ATOM 0 HB3 SER A 15 -4.458 2.762 14.493 1.00 0.00 H new ATOM 0 HG SER A 15 -3.234 1.817 12.342 1.00 0.00 H new ATOM 177 N VAL A 16 -6.250 -0.106 11.582 1.00 0.00 N ATOM 178 CA VAL A 16 -6.327 -0.675 10.247 1.00 0.00 C ATOM 179 C VAL A 16 -7.638 -0.244 9.588 1.00 0.00 C ATOM 180 O VAL A 16 -8.677 -0.184 10.244 1.00 0.00 O ATOM 181 CB VAL A 16 -6.164 -2.195 10.316 1.00 0.00 C ATOM 182 CG1 VAL A 16 -7.098 -2.799 11.367 1.00 0.00 C ATOM 183 CG2 VAL A 16 -6.393 -2.834 8.945 1.00 0.00 C ATOM 0 H VAL A 16 -7.094 -0.221 12.144 1.00 0.00 H new ATOM 0 HA VAL A 16 -5.513 -0.302 9.625 1.00 0.00 H new ATOM 0 HB VAL A 16 -5.139 -2.409 10.617 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -6.962 -3.880 11.396 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -6.866 -2.378 12.345 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -8.132 -2.570 11.110 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -6.271 -3.914 9.022 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -7.402 -2.606 8.601 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -5.669 -2.437 8.233 1.00 0.00 H new ATOM 193 N LEU A 17 -7.548 0.045 8.298 1.00 0.00 N ATOM 194 CA LEU A 17 -8.715 0.469 7.543 1.00 0.00 C ATOM 195 C LEU A 17 -9.274 -0.724 6.765 1.00 0.00 C ATOM 196 O LEU A 17 -8.518 -1.575 6.298 1.00 0.00 O ATOM 197 CB LEU A 17 -8.374 1.672 6.662 1.00 0.00 C ATOM 198 CG LEU A 17 -8.059 2.975 7.399 1.00 0.00 C ATOM 199 CD1 LEU A 17 -7.387 3.985 6.466 1.00 0.00 C ATOM 200 CD2 LEU A 17 -9.314 3.551 8.058 1.00 0.00 C ATOM 0 H LEU A 17 -6.685 -0.006 7.757 1.00 0.00 H new ATOM 0 HA LEU A 17 -9.502 0.809 8.216 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -7.516 1.412 6.042 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -9.211 1.852 5.988 1.00 0.00 H new ATOM 0 HG LEU A 17 -7.350 2.752 8.197 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -7.174 4.902 7.015 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -6.456 3.565 6.086 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -8.052 4.208 5.632 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -9.061 4.477 8.575 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -10.065 3.755 7.295 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -9.711 2.832 8.775 1.00 0.00 H new ATOM 212 N GLU A 18 -10.594 -0.748 6.649 1.00 0.00 N ATOM 213 CA GLU A 18 -11.263 -1.822 5.936 1.00 0.00 C ATOM 214 C GLU A 18 -11.458 -1.443 4.466 1.00 0.00 C ATOM 215 O GLU A 18 -12.138 -0.466 4.159 1.00 0.00 O ATOM 216 CB GLU A 18 -12.600 -2.168 6.595 1.00 0.00 C ATOM 217 CG GLU A 18 -13.642 -1.080 6.326 1.00 0.00 C ATOM 218 CD GLU A 18 -14.875 -1.271 7.211 1.00 0.00 C ATOM 219 OE1 GLU A 18 -15.773 -2.024 6.778 1.00 0.00 O ATOM 220 OE2 GLU A 18 -14.891 -0.660 8.301 1.00 0.00 O ATOM 0 H GLU A 18 -11.218 -0.040 7.037 1.00 0.00 H new ATOM 0 HA GLU A 18 -10.632 -2.710 5.981 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -12.960 -3.124 6.215 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -12.460 -2.285 7.670 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -13.205 -0.099 6.512 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -13.936 -1.104 5.277 1.00 0.00 H new ATOM 227 N LEU A 19 -10.849 -2.237 3.598 1.00 0.00 N ATOM 228 CA LEU A 19 -10.946 -1.997 2.168 1.00 0.00 C ATOM 229 C LEU A 19 -12.405 -2.144 1.729 1.00 0.00 C ATOM 230 O LEU A 19 -13.221 -2.709 2.455 1.00 0.00 O ATOM 231 CB LEU A 19 -9.980 -2.905 1.405 1.00 0.00 C ATOM 232 CG LEU A 19 -8.524 -2.436 1.347 1.00 0.00 C ATOM 233 CD1 LEU A 19 -8.410 -1.091 0.628 1.00 0.00 C ATOM 234 CD2 LEU A 19 -7.906 -2.394 2.745 1.00 0.00 C ATOM 0 H LEU A 19 -10.286 -3.047 3.857 1.00 0.00 H new ATOM 0 HA LEU A 19 -10.642 -0.977 1.931 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -10.005 -3.894 1.862 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -10.346 -3.016 0.384 1.00 0.00 H new ATOM 0 HG LEU A 19 -7.954 -3.161 0.765 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -7.366 -0.780 0.601 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -8.786 -1.190 -0.390 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -8.997 -0.343 1.161 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -6.872 -2.058 2.676 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -8.471 -1.704 3.372 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -7.935 -3.391 3.186 1.00 0.00 H new ATOM 246 N THR A 20 -12.688 -1.625 0.544 1.00 0.00 N ATOM 247 CA THR A 20 -14.033 -1.691 -0.001 1.00 0.00 C ATOM 248 C THR A 20 -13.993 -1.650 -1.530 1.00 0.00 C ATOM 249 O THR A 20 -12.971 -1.300 -2.118 1.00 0.00 O ATOM 250 CB THR A 20 -14.850 -0.553 0.616 1.00 0.00 C ATOM 251 OG1 THR A 20 -14.584 0.562 -0.230 1.00 0.00 O ATOM 252 CG2 THR A 20 -14.313 -0.121 1.982 1.00 0.00 C ATOM 0 H THR A 20 -12.008 -1.156 -0.055 1.00 0.00 H new ATOM 0 HA THR A 20 -14.517 -2.634 0.255 1.00 0.00 H new ATOM 0 HB THR A 20 -15.890 -0.865 0.717 1.00 0.00 H new ATOM 0 HG1 THR A 20 -14.160 1.275 0.292 1.00 0.00 H new ATOM 0 HG21 THR A 20 -14.928 0.688 2.375 1.00 0.00 H new ATOM 0 HG22 THR A 20 -14.343 -0.967 2.669 1.00 0.00 H new ATOM 0 HG23 THR A 20 -13.284 0.224 1.876 1.00 0.00 H new ATOM 260 N GLU A 21 -15.117 -2.014 -2.129 1.00 0.00 N ATOM 261 CA GLU A 21 -15.223 -2.024 -3.578 1.00 0.00 C ATOM 262 C GLU A 21 -14.414 -0.872 -4.177 1.00 0.00 C ATOM 263 O GLU A 21 -13.768 -1.034 -5.211 1.00 0.00 O ATOM 264 CB GLU A 21 -16.686 -1.955 -4.022 1.00 0.00 C ATOM 265 CG GLU A 21 -16.930 -2.839 -5.246 1.00 0.00 C ATOM 266 CD GLU A 21 -17.891 -2.165 -6.227 1.00 0.00 C ATOM 267 OE1 GLU A 21 -17.397 -1.348 -7.034 1.00 0.00 O ATOM 268 OE2 GLU A 21 -19.098 -2.480 -6.147 1.00 0.00 O ATOM 0 H GLU A 21 -15.962 -2.304 -1.637 1.00 0.00 H new ATOM 0 HA GLU A 21 -14.810 -2.963 -3.946 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -17.333 -2.273 -3.205 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -16.951 -0.924 -4.255 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -15.983 -3.046 -5.744 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -17.341 -3.798 -4.930 1.00 0.00 H new ATOM 275 N ALA A 22 -14.475 0.267 -3.502 1.00 0.00 N ATOM 276 CA ALA A 22 -13.756 1.445 -3.954 1.00 0.00 C ATOM 277 C ALA A 22 -12.251 1.187 -3.859 1.00 0.00 C ATOM 278 O ALA A 22 -11.582 1.014 -4.876 1.00 0.00 O ATOM 279 CB ALA A 22 -14.193 2.658 -3.130 1.00 0.00 C ATOM 0 H ALA A 22 -15.012 0.398 -2.645 1.00 0.00 H new ATOM 0 HA ALA A 22 -13.988 1.659 -4.997 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -13.653 3.542 -3.469 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -15.264 2.816 -3.256 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -13.973 2.481 -2.077 1.00 0.00 H new ATOM 285 N GLU A 23 -11.763 1.169 -2.627 1.00 0.00 N ATOM 286 CA GLU A 23 -10.350 0.935 -2.385 1.00 0.00 C ATOM 287 C GLU A 23 -9.890 -0.331 -3.110 1.00 0.00 C ATOM 288 O GLU A 23 -8.864 -0.324 -3.789 1.00 0.00 O ATOM 289 CB GLU A 23 -10.057 0.846 -0.886 1.00 0.00 C ATOM 290 CG GLU A 23 -10.579 2.082 -0.151 1.00 0.00 C ATOM 291 CD GLU A 23 -11.669 1.703 0.854 1.00 0.00 C ATOM 292 OE1 GLU A 23 -11.301 1.124 1.899 1.00 0.00 O ATOM 293 OE2 GLU A 23 -12.845 2.001 0.554 1.00 0.00 O ATOM 0 H GLU A 23 -12.322 1.313 -1.786 1.00 0.00 H new ATOM 0 HA GLU A 23 -9.789 1.781 -2.781 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -10.521 -0.050 -0.474 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -8.983 0.750 -0.727 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -9.757 2.575 0.368 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -10.976 2.797 -0.871 1.00 0.00 H new ATOM 300 N LEU A 24 -10.671 -1.388 -2.942 1.00 0.00 N ATOM 301 CA LEU A 24 -10.357 -2.659 -3.571 1.00 0.00 C ATOM 302 C LEU A 24 -9.842 -2.407 -4.990 1.00 0.00 C ATOM 303 O LEU A 24 -8.782 -2.904 -5.367 1.00 0.00 O ATOM 304 CB LEU A 24 -11.563 -3.599 -3.513 1.00 0.00 C ATOM 305 CG LEU A 24 -11.620 -4.542 -2.310 1.00 0.00 C ATOM 306 CD1 LEU A 24 -12.067 -3.798 -1.050 1.00 0.00 C ATOM 307 CD2 LEU A 24 -12.507 -5.754 -2.605 1.00 0.00 C ATOM 0 H LEU A 24 -11.521 -1.390 -2.379 1.00 0.00 H new ATOM 0 HA LEU A 24 -9.560 -3.166 -3.027 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -12.470 -2.995 -3.519 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -11.574 -4.200 -4.422 1.00 0.00 H new ATOM 0 HG LEU A 24 -10.614 -4.917 -2.122 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -12.099 -4.492 -0.210 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -11.362 -2.996 -0.832 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -13.059 -3.376 -1.210 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -12.530 -6.408 -1.734 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -13.518 -5.418 -2.834 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -12.105 -6.300 -3.458 1.00 0.00 H new ATOM 319 N VAL A 25 -10.617 -1.635 -5.738 1.00 0.00 N ATOM 320 CA VAL A 25 -10.253 -1.311 -7.107 1.00 0.00 C ATOM 321 C VAL A 25 -8.814 -0.791 -7.138 1.00 0.00 C ATOM 322 O VAL A 25 -8.038 -1.154 -8.020 1.00 0.00 O ATOM 323 CB VAL A 25 -11.259 -0.321 -7.696 1.00 0.00 C ATOM 324 CG1 VAL A 25 -10.712 0.324 -8.971 1.00 0.00 C ATOM 325 CG2 VAL A 25 -12.606 -0.998 -7.958 1.00 0.00 C ATOM 0 H VAL A 25 -11.496 -1.224 -5.422 1.00 0.00 H new ATOM 0 HA VAL A 25 -10.290 -2.202 -7.733 1.00 0.00 H new ATOM 0 HB VAL A 25 -11.419 0.470 -6.963 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -11.447 1.023 -9.369 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -9.790 0.858 -8.742 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -10.509 -0.449 -9.712 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -13.303 -0.272 -8.377 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -12.470 -1.818 -8.663 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -13.006 -1.387 -7.022 1.00 0.00 H new ATOM 335 N THR A 26 -8.502 0.050 -6.163 1.00 0.00 N ATOM 336 CA THR A 26 -7.170 0.624 -6.068 1.00 0.00 C ATOM 337 C THR A 26 -6.195 -0.391 -5.467 1.00 0.00 C ATOM 338 O THR A 26 -5.068 -0.529 -5.940 1.00 0.00 O ATOM 339 CB THR A 26 -7.271 1.921 -5.262 1.00 0.00 C ATOM 340 OG1 THR A 26 -7.750 2.877 -6.203 1.00 0.00 O ATOM 341 CG2 THR A 26 -5.900 2.460 -4.848 1.00 0.00 C ATOM 0 H THR A 26 -9.148 0.348 -5.432 1.00 0.00 H new ATOM 0 HA THR A 26 -6.772 0.867 -7.053 1.00 0.00 H new ATOM 0 HB THR A 26 -7.878 1.750 -4.373 1.00 0.00 H new ATOM 0 HG1 THR A 26 -7.847 3.748 -5.764 1.00 0.00 H new ATOM 0 HG21 THR A 26 -6.028 3.381 -4.279 1.00 0.00 H new ATOM 0 HG22 THR A 26 -5.389 1.720 -4.231 1.00 0.00 H new ATOM 0 HG23 THR A 26 -5.305 2.663 -5.738 1.00 0.00 H new ATOM 349 N ALA A 27 -6.664 -1.074 -4.433 1.00 0.00 N ATOM 350 CA ALA A 27 -5.847 -2.071 -3.762 1.00 0.00 C ATOM 351 C ALA A 27 -5.494 -3.183 -4.751 1.00 0.00 C ATOM 352 O ALA A 27 -4.474 -3.853 -4.599 1.00 0.00 O ATOM 353 CB ALA A 27 -6.590 -2.598 -2.533 1.00 0.00 C ATOM 0 H ALA A 27 -7.599 -0.957 -4.043 1.00 0.00 H new ATOM 0 HA ALA A 27 -4.913 -1.630 -3.413 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -5.977 -3.346 -2.030 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -6.791 -1.774 -1.849 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -7.532 -3.050 -2.843 1.00 0.00 H new ATOM 359 N GLU A 28 -6.357 -3.346 -5.743 1.00 0.00 N ATOM 360 CA GLU A 28 -6.149 -4.366 -6.757 1.00 0.00 C ATOM 361 C GLU A 28 -5.192 -3.854 -7.836 1.00 0.00 C ATOM 362 O GLU A 28 -4.365 -4.609 -8.344 1.00 0.00 O ATOM 363 CB GLU A 28 -7.479 -4.809 -7.369 1.00 0.00 C ATOM 364 CG GLU A 28 -8.131 -5.909 -6.529 1.00 0.00 C ATOM 365 CD GLU A 28 -7.723 -7.296 -7.030 1.00 0.00 C ATOM 366 OE1 GLU A 28 -8.070 -7.605 -8.190 1.00 0.00 O ATOM 367 OE2 GLU A 28 -7.073 -8.016 -6.241 1.00 0.00 O ATOM 0 H GLU A 28 -7.202 -2.789 -5.866 1.00 0.00 H new ATOM 0 HA GLU A 28 -5.697 -5.237 -6.282 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -8.152 -3.955 -7.441 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -7.314 -5.171 -8.384 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -7.839 -5.795 -5.485 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -9.216 -5.808 -6.570 1.00 0.00 H new ATOM 374 N ALA A 29 -5.337 -2.576 -8.153 1.00 0.00 N ATOM 375 CA ALA A 29 -4.496 -1.955 -9.162 1.00 0.00 C ATOM 376 C ALA A 29 -3.053 -1.906 -8.656 1.00 0.00 C ATOM 377 O ALA A 29 -2.119 -2.196 -9.402 1.00 0.00 O ATOM 378 CB ALA A 29 -5.043 -0.567 -9.500 1.00 0.00 C ATOM 0 H ALA A 29 -6.025 -1.953 -7.729 1.00 0.00 H new ATOM 0 HA ALA A 29 -4.504 -2.540 -10.081 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -4.412 -0.102 -10.257 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -6.060 -0.660 -9.882 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -5.048 0.051 -8.602 1.00 0.00 H new ATOM 384 N VAL A 30 -2.915 -1.535 -7.391 1.00 0.00 N ATOM 385 CA VAL A 30 -1.601 -1.444 -6.777 1.00 0.00 C ATOM 386 C VAL A 30 -0.961 -2.833 -6.744 1.00 0.00 C ATOM 387 O VAL A 30 0.233 -2.976 -7.002 1.00 0.00 O ATOM 388 CB VAL A 30 -1.715 -0.805 -5.392 1.00 0.00 C ATOM 389 CG1 VAL A 30 -0.427 -1.001 -4.590 1.00 0.00 C ATOM 390 CG2 VAL A 30 -2.073 0.679 -5.500 1.00 0.00 C ATOM 0 H VAL A 30 -3.691 -1.294 -6.775 1.00 0.00 H new ATOM 0 HA VAL A 30 -0.948 -0.799 -7.365 1.00 0.00 H new ATOM 0 HB VAL A 30 -2.522 -1.306 -4.858 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -0.535 -0.537 -3.609 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -0.233 -2.067 -4.468 1.00 0.00 H new ATOM 0 HG13 VAL A 30 0.406 -0.539 -5.120 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -2.148 1.109 -4.501 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -1.298 1.200 -6.062 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -3.028 0.786 -6.014 1.00 0.00 H new ATOM 400 N ARG A 31 -1.783 -3.821 -6.424 1.00 0.00 N ATOM 401 CA ARG A 31 -1.312 -5.194 -6.354 1.00 0.00 C ATOM 402 C ARG A 31 -0.638 -5.592 -7.669 1.00 0.00 C ATOM 403 O ARG A 31 0.382 -6.278 -7.665 1.00 0.00 O ATOM 404 CB ARG A 31 -2.464 -6.158 -6.067 1.00 0.00 C ATOM 405 CG ARG A 31 -1.983 -7.610 -6.089 1.00 0.00 C ATOM 406 CD ARG A 31 -2.777 -8.466 -5.100 1.00 0.00 C ATOM 407 NE ARG A 31 -3.722 -9.339 -5.831 1.00 0.00 N ATOM 408 CZ ARG A 31 -4.181 -10.508 -5.364 1.00 0.00 C ATOM 409 NH1 ARG A 31 -3.783 -10.951 -4.163 1.00 0.00 N ATOM 410 NH2 ARG A 31 -5.037 -11.233 -6.097 1.00 0.00 N ATOM 0 H ARG A 31 -2.773 -3.698 -6.210 1.00 0.00 H new ATOM 0 HA ARG A 31 -0.591 -5.256 -5.539 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -2.900 -5.930 -5.094 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -3.251 -6.021 -6.809 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -2.089 -8.017 -7.095 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -0.923 -7.649 -5.840 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -2.096 -9.073 -4.503 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -3.323 -7.825 -4.408 1.00 0.00 H new ATOM 0 HE ARG A 31 -4.044 -9.031 -6.749 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -3.131 -10.398 -3.606 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -4.132 -11.841 -3.806 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -5.339 -10.895 -7.011 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -5.386 -12.123 -5.741 1.00 0.00 H new ATOM 424 N SER A 32 -1.236 -5.143 -8.763 1.00 0.00 N ATOM 425 CA SER A 32 -0.707 -5.443 -10.082 1.00 0.00 C ATOM 426 C SER A 32 0.693 -4.844 -10.233 1.00 0.00 C ATOM 427 O SER A 32 1.541 -5.405 -10.925 1.00 0.00 O ATOM 428 CB SER A 32 -1.632 -4.915 -11.180 1.00 0.00 C ATOM 429 OG SER A 32 -1.367 -5.525 -12.441 1.00 0.00 O ATOM 0 H SER A 32 -2.082 -4.573 -8.762 1.00 0.00 H new ATOM 0 HA SER A 32 -0.645 -6.526 -10.187 1.00 0.00 H new ATOM 0 HB2 SER A 32 -2.669 -5.098 -10.899 1.00 0.00 H new ATOM 0 HB3 SER A 32 -1.512 -3.835 -11.267 1.00 0.00 H new ATOM 0 HG SER A 32 -1.979 -5.162 -13.115 1.00 0.00 H new ATOM 435 N VAL A 33 0.892 -3.712 -9.574 1.00 0.00 N ATOM 436 CA VAL A 33 2.174 -3.030 -9.627 1.00 0.00 C ATOM 437 C VAL A 33 3.251 -3.933 -9.021 1.00 0.00 C ATOM 438 O VAL A 33 4.293 -4.158 -9.634 1.00 0.00 O ATOM 439 CB VAL A 33 2.073 -1.671 -8.932 1.00 0.00 C ATOM 440 CG1 VAL A 33 3.384 -0.892 -9.058 1.00 0.00 C ATOM 441 CG2 VAL A 33 0.898 -0.860 -9.483 1.00 0.00 C ATOM 0 H VAL A 33 0.187 -3.250 -9.000 1.00 0.00 H new ATOM 0 HA VAL A 33 2.459 -2.831 -10.660 1.00 0.00 H new ATOM 0 HB VAL A 33 1.890 -1.849 -7.872 1.00 0.00 H new ATOM 0 HG11 VAL A 33 3.285 0.070 -8.556 1.00 0.00 H new ATOM 0 HG12 VAL A 33 4.191 -1.461 -8.597 1.00 0.00 H new ATOM 0 HG13 VAL A 33 3.611 -0.729 -10.112 1.00 0.00 H new ATOM 0 HG21 VAL A 33 0.848 0.102 -8.972 1.00 0.00 H new ATOM 0 HG22 VAL A 33 1.038 -0.697 -10.552 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -0.030 -1.407 -9.318 1.00 0.00 H new ATOM 451 N TRP A 34 2.962 -4.424 -7.825 1.00 0.00 N ATOM 452 CA TRP A 34 3.893 -5.296 -7.129 1.00 0.00 C ATOM 453 C TRP A 34 4.173 -6.502 -8.028 1.00 0.00 C ATOM 454 O TRP A 34 5.322 -6.908 -8.189 1.00 0.00 O ATOM 455 CB TRP A 34 3.353 -5.689 -5.753 1.00 0.00 C ATOM 456 CG TRP A 34 3.329 -4.540 -4.743 1.00 0.00 C ATOM 457 CD1 TRP A 34 2.947 -3.271 -4.945 1.00 0.00 C ATOM 458 CD2 TRP A 34 3.719 -4.607 -3.355 1.00 0.00 C ATOM 459 NE1 TRP A 34 3.063 -2.519 -3.794 1.00 0.00 N ATOM 460 CE2 TRP A 34 3.547 -3.357 -2.797 1.00 0.00 C ATOM 461 CE3 TRP A 34 4.202 -5.688 -2.597 1.00 0.00 C ATOM 462 CZ2 TRP A 34 3.833 -3.069 -1.457 1.00 0.00 C ATOM 463 CZ3 TRP A 34 4.483 -5.384 -1.259 1.00 0.00 C ATOM 464 CH2 TRP A 34 4.316 -4.131 -0.682 1.00 0.00 C ATOM 0 H TRP A 34 2.096 -4.235 -7.320 1.00 0.00 H new ATOM 0 HA TRP A 34 4.833 -4.780 -6.935 1.00 0.00 H new ATOM 0 HB2 TRP A 34 2.342 -6.079 -5.869 1.00 0.00 H new ATOM 0 HB3 TRP A 34 3.963 -6.499 -5.352 1.00 0.00 H new ATOM 0 HD1 TRP A 34 2.593 -2.886 -5.890 1.00 0.00 H new ATOM 0 HE1 TRP A 34 2.835 -1.530 -3.694 1.00 0.00 H new ATOM 0 HE3 TRP A 34 4.345 -6.674 -3.013 1.00 0.00 H new ATOM 0 HZ2 TRP A 34 3.689 -2.082 -1.043 1.00 0.00 H new ATOM 0 HZ3 TRP A 34 4.856 -6.180 -0.631 1.00 0.00 H new ATOM 0 HH2 TRP A 34 4.558 -3.977 0.359 1.00 0.00 H new ATOM 475 N GLN A 35 3.101 -7.042 -8.590 1.00 0.00 N ATOM 476 CA GLN A 35 3.216 -8.193 -9.469 1.00 0.00 C ATOM 477 C GLN A 35 4.068 -7.845 -10.692 1.00 0.00 C ATOM 478 O GLN A 35 5.083 -8.490 -10.950 1.00 0.00 O ATOM 479 CB GLN A 35 1.836 -8.703 -9.889 1.00 0.00 C ATOM 480 CG GLN A 35 1.061 -9.243 -8.686 1.00 0.00 C ATOM 481 CD GLN A 35 0.820 -10.748 -8.820 1.00 0.00 C ATOM 482 OE1 GLN A 35 1.866 -11.496 -8.481 1.00 0.00 O flip ATOM 483 NE2 GLN A 35 -0.246 -11.200 -9.205 1.00 0.00 N flip ATOM 0 H GLN A 35 2.149 -6.703 -8.453 1.00 0.00 H new ATOM 0 HA GLN A 35 3.712 -8.995 -8.922 1.00 0.00 H new ATOM 0 HB2 GLN A 35 1.273 -7.895 -10.356 1.00 0.00 H new ATOM 0 HB3 GLN A 35 1.947 -9.488 -10.637 1.00 0.00 H new ATOM 0 HG2 GLN A 35 1.616 -9.040 -7.770 1.00 0.00 H new ATOM 0 HG3 GLN A 35 0.106 -8.724 -8.601 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -1.009 -10.569 -9.449 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -0.374 -12.209 -9.282 1.00 0.00 H new ATOM 492 N ARG A 36 3.623 -6.826 -11.412 1.00 0.00 N ATOM 493 CA ARG A 36 4.331 -6.384 -12.601 1.00 0.00 C ATOM 494 C ARG A 36 5.802 -6.118 -12.274 1.00 0.00 C ATOM 495 O ARG A 36 6.690 -6.500 -13.035 1.00 0.00 O ATOM 496 CB ARG A 36 3.705 -5.112 -13.175 1.00 0.00 C ATOM 497 CG ARG A 36 2.488 -5.442 -14.042 1.00 0.00 C ATOM 498 CD ARG A 36 2.035 -4.218 -14.840 1.00 0.00 C ATOM 499 NE ARG A 36 1.671 -4.619 -16.217 1.00 0.00 N ATOM 500 CZ ARG A 36 1.485 -3.756 -17.226 1.00 0.00 C ATOM 501 NH1 ARG A 36 1.626 -2.441 -17.017 1.00 0.00 N ATOM 502 NH2 ARG A 36 1.157 -4.210 -18.443 1.00 0.00 N ATOM 0 H ARG A 36 2.781 -6.294 -11.195 1.00 0.00 H new ATOM 0 HA ARG A 36 4.258 -7.178 -13.345 1.00 0.00 H new ATOM 0 HB2 ARG A 36 3.408 -4.450 -12.362 1.00 0.00 H new ATOM 0 HB3 ARG A 36 4.444 -4.575 -13.769 1.00 0.00 H new ATOM 0 HG2 ARG A 36 2.733 -6.255 -14.725 1.00 0.00 H new ATOM 0 HG3 ARG A 36 1.671 -5.792 -13.411 1.00 0.00 H new ATOM 0 HD2 ARG A 36 1.181 -3.750 -14.351 1.00 0.00 H new ATOM 0 HD3 ARG A 36 2.833 -3.476 -14.867 1.00 0.00 H new ATOM 0 HE ARG A 36 1.554 -5.614 -16.411 1.00 0.00 H new ATOM 0 HH11 ARG A 36 1.875 -2.096 -16.090 1.00 0.00 H new ATOM 0 HH12 ARG A 36 1.484 -1.785 -17.785 1.00 0.00 H new ATOM 0 HH21 ARG A 36 1.049 -5.212 -18.602 1.00 0.00 H new ATOM 0 HH22 ARG A 36 1.015 -3.554 -19.211 1.00 0.00 H new ATOM 516 N ILE A 37 6.015 -5.465 -11.141 1.00 0.00 N ATOM 517 CA ILE A 37 7.362 -5.143 -10.704 1.00 0.00 C ATOM 518 C ILE A 37 8.124 -6.438 -10.418 1.00 0.00 C ATOM 519 O ILE A 37 9.033 -6.805 -11.162 1.00 0.00 O ATOM 520 CB ILE A 37 7.325 -4.176 -9.519 1.00 0.00 C ATOM 521 CG1 ILE A 37 6.905 -2.775 -9.966 1.00 0.00 C ATOM 522 CG2 ILE A 37 8.664 -4.164 -8.779 1.00 0.00 C ATOM 523 CD1 ILE A 37 6.963 -1.786 -8.800 1.00 0.00 C ATOM 0 H ILE A 37 5.276 -5.150 -10.512 1.00 0.00 H new ATOM 0 HA ILE A 37 7.904 -4.622 -11.493 1.00 0.00 H new ATOM 0 HB ILE A 37 6.571 -4.528 -8.815 1.00 0.00 H new ATOM 0 HG12 ILE A 37 7.559 -2.435 -10.769 1.00 0.00 H new ATOM 0 HG13 ILE A 37 5.893 -2.807 -10.370 1.00 0.00 H new ATOM 0 HG21 ILE A 37 8.611 -3.469 -7.941 1.00 0.00 H new ATOM 0 HG22 ILE A 37 8.883 -5.165 -8.406 1.00 0.00 H new ATOM 0 HG23 ILE A 37 9.454 -3.850 -9.461 1.00 0.00 H new ATOM 0 HD11 ILE A 37 6.660 -0.798 -9.146 1.00 0.00 H new ATOM 0 HD12 ILE A 37 6.290 -2.116 -8.009 1.00 0.00 H new ATOM 0 HD13 ILE A 37 7.981 -1.738 -8.414 1.00 0.00 H new ATOM 535 N LEU A 38 7.726 -7.095 -9.339 1.00 0.00 N ATOM 536 CA LEU A 38 8.360 -8.342 -8.945 1.00 0.00 C ATOM 537 C LEU A 38 8.012 -9.430 -9.963 1.00 0.00 C ATOM 538 O LEU A 38 6.855 -9.833 -10.074 1.00 0.00 O ATOM 539 CB LEU A 38 7.985 -8.703 -7.506 1.00 0.00 C ATOM 540 CG LEU A 38 8.222 -7.613 -6.458 1.00 0.00 C ATOM 541 CD1 LEU A 38 7.232 -7.744 -5.299 1.00 0.00 C ATOM 542 CD2 LEU A 38 9.674 -7.622 -5.977 1.00 0.00 C ATOM 0 H LEU A 38 6.972 -6.787 -8.725 1.00 0.00 H new ATOM 0 HA LEU A 38 9.445 -8.236 -8.950 1.00 0.00 H new ATOM 0 HB2 LEU A 38 6.930 -8.977 -7.484 1.00 0.00 H new ATOM 0 HB3 LEU A 38 8.551 -9.588 -7.215 1.00 0.00 H new ATOM 0 HG LEU A 38 8.044 -6.644 -6.925 1.00 0.00 H new ATOM 0 HD11 LEU A 38 7.421 -6.958 -4.568 1.00 0.00 H new ATOM 0 HD12 LEU A 38 6.214 -7.650 -5.677 1.00 0.00 H new ATOM 0 HD13 LEU A 38 7.354 -8.718 -4.825 1.00 0.00 H new ATOM 0 HD21 LEU A 38 9.816 -6.838 -5.233 1.00 0.00 H new ATOM 0 HD22 LEU A 38 9.904 -8.590 -5.532 1.00 0.00 H new ATOM 0 HD23 LEU A 38 10.338 -7.444 -6.823 1.00 0.00 H new ATOM 554 N PRO A 39 9.060 -9.886 -10.699 1.00 0.00 N ATOM 555 CA PRO A 39 8.877 -10.919 -11.703 1.00 0.00 C ATOM 556 C PRO A 39 8.692 -12.291 -11.051 1.00 0.00 C ATOM 557 O PRO A 39 7.606 -12.865 -11.102 1.00 0.00 O ATOM 558 CB PRO A 39 10.115 -10.840 -12.580 1.00 0.00 C ATOM 559 CG PRO A 39 11.155 -10.088 -11.766 1.00 0.00 C ATOM 560 CD PRO A 39 10.444 -9.432 -10.594 1.00 0.00 C ATOM 0 HA PRO A 39 7.975 -10.772 -12.297 1.00 0.00 H new ATOM 0 HB2 PRO A 39 10.471 -11.836 -12.844 1.00 0.00 H new ATOM 0 HB3 PRO A 39 9.900 -10.321 -13.514 1.00 0.00 H new ATOM 0 HG2 PRO A 39 11.928 -10.770 -11.411 1.00 0.00 H new ATOM 0 HG3 PRO A 39 11.651 -9.337 -12.381 1.00 0.00 H new ATOM 0 HD2 PRO A 39 10.888 -9.731 -9.644 1.00 0.00 H new ATOM 0 HD3 PRO A 39 10.510 -8.345 -10.649 1.00 0.00 H new ATOM 568 N LYS A 40 9.771 -12.777 -10.455 1.00 0.00 N ATOM 569 CA LYS A 40 9.742 -14.071 -9.794 1.00 0.00 C ATOM 570 C LYS A 40 8.417 -14.227 -9.046 1.00 0.00 C ATOM 571 O LYS A 40 7.814 -15.299 -9.061 1.00 0.00 O ATOM 572 CB LYS A 40 10.974 -14.246 -8.905 1.00 0.00 C ATOM 573 CG LYS A 40 12.221 -14.533 -9.745 1.00 0.00 C ATOM 574 CD LYS A 40 13.428 -13.754 -9.218 1.00 0.00 C ATOM 575 CE LYS A 40 14.737 -14.363 -9.725 1.00 0.00 C ATOM 576 NZ LYS A 40 15.531 -13.351 -10.456 1.00 0.00 N ATOM 0 H LYS A 40 10.671 -12.298 -10.416 1.00 0.00 H new ATOM 0 HA LYS A 40 9.791 -14.875 -10.528 1.00 0.00 H new ATOM 0 HB2 LYS A 40 11.130 -13.345 -8.312 1.00 0.00 H new ATOM 0 HB3 LYS A 40 10.808 -15.064 -8.204 1.00 0.00 H new ATOM 0 HG2 LYS A 40 12.437 -15.601 -9.728 1.00 0.00 H new ATOM 0 HG3 LYS A 40 12.034 -14.262 -10.784 1.00 0.00 H new ATOM 0 HD2 LYS A 40 13.360 -12.713 -9.535 1.00 0.00 H new ATOM 0 HD3 LYS A 40 13.420 -13.757 -8.128 1.00 0.00 H new ATOM 0 HE2 LYS A 40 15.314 -14.749 -8.885 1.00 0.00 H new ATOM 0 HE3 LYS A 40 14.522 -15.208 -10.380 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 16.416 -13.781 -10.793 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 14.984 -13.002 -11.269 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 15.752 -12.558 -9.821 1.00 0.00 H new ATOM 590 N VAL A 41 8.002 -13.141 -8.409 1.00 0.00 N ATOM 591 CA VAL A 41 6.759 -13.144 -7.657 1.00 0.00 C ATOM 592 C VAL A 41 5.603 -13.509 -8.590 1.00 0.00 C ATOM 593 O VAL A 41 5.228 -12.721 -9.457 1.00 0.00 O ATOM 594 CB VAL A 41 6.564 -11.794 -6.963 1.00 0.00 C ATOM 595 CG1 VAL A 41 5.166 -11.690 -6.349 1.00 0.00 C ATOM 596 CG2 VAL A 41 7.646 -11.558 -5.908 1.00 0.00 C ATOM 0 H VAL A 41 8.505 -12.254 -8.399 1.00 0.00 H new ATOM 0 HA VAL A 41 6.791 -13.898 -6.870 1.00 0.00 H new ATOM 0 HB VAL A 41 6.657 -11.013 -7.718 1.00 0.00 H new ATOM 0 HG11 VAL A 41 5.054 -10.721 -5.862 1.00 0.00 H new ATOM 0 HG12 VAL A 41 4.416 -11.791 -7.133 1.00 0.00 H new ATOM 0 HG13 VAL A 41 5.032 -12.483 -5.614 1.00 0.00 H new ATOM 0 HG21 VAL A 41 7.484 -10.592 -5.430 1.00 0.00 H new ATOM 0 HG22 VAL A 41 7.600 -12.347 -5.157 1.00 0.00 H new ATOM 0 HG23 VAL A 41 8.627 -11.567 -6.384 1.00 0.00 H new ATOM 606 N LEU A 42 5.070 -14.704 -8.381 1.00 0.00 N ATOM 607 CA LEU A 42 3.965 -15.183 -9.194 1.00 0.00 C ATOM 608 C LEU A 42 2.645 -14.712 -8.580 1.00 0.00 C ATOM 609 O LEU A 42 1.678 -14.459 -9.297 1.00 0.00 O ATOM 610 CB LEU A 42 4.051 -16.700 -9.375 1.00 0.00 C ATOM 611 CG LEU A 42 4.946 -17.189 -10.516 1.00 0.00 C ATOM 612 CD1 LEU A 42 5.743 -18.426 -10.097 1.00 0.00 C ATOM 613 CD2 LEU A 42 4.129 -17.436 -11.786 1.00 0.00 C ATOM 0 H LEU A 42 5.383 -15.355 -7.660 1.00 0.00 H new ATOM 0 HA LEU A 42 4.020 -14.761 -10.198 1.00 0.00 H new ATOM 0 HB2 LEU A 42 4.411 -17.137 -8.444 1.00 0.00 H new ATOM 0 HB3 LEU A 42 3.044 -17.084 -9.539 1.00 0.00 H new ATOM 0 HG LEU A 42 5.667 -16.404 -10.745 1.00 0.00 H new ATOM 0 HD11 LEU A 42 6.371 -18.753 -10.926 1.00 0.00 H new ATOM 0 HD12 LEU A 42 6.372 -18.181 -9.241 1.00 0.00 H new ATOM 0 HD13 LEU A 42 5.055 -19.227 -9.825 1.00 0.00 H new ATOM 0 HD21 LEU A 42 4.789 -17.783 -12.581 1.00 0.00 H new ATOM 0 HD22 LEU A 42 3.370 -18.193 -11.589 1.00 0.00 H new ATOM 0 HD23 LEU A 42 3.646 -16.509 -12.094 1.00 0.00 H new ATOM 625 N GLU A 43 2.647 -14.607 -7.259 1.00 0.00 N ATOM 626 CA GLU A 43 1.462 -14.170 -6.541 1.00 0.00 C ATOM 627 C GLU A 43 1.844 -13.177 -5.442 1.00 0.00 C ATOM 628 O GLU A 43 2.842 -13.365 -4.749 1.00 0.00 O ATOM 629 CB GLU A 43 0.701 -15.364 -5.961 1.00 0.00 C ATOM 630 CG GLU A 43 -0.442 -14.899 -5.056 1.00 0.00 C ATOM 631 CD GLU A 43 -1.744 -15.623 -5.403 1.00 0.00 C ATOM 632 OE1 GLU A 43 -1.813 -16.837 -5.117 1.00 0.00 O ATOM 633 OE2 GLU A 43 -2.643 -14.944 -5.947 1.00 0.00 O ATOM 0 H GLU A 43 3.451 -14.817 -6.667 1.00 0.00 H new ATOM 0 HA GLU A 43 0.799 -13.666 -7.245 1.00 0.00 H new ATOM 0 HB2 GLU A 43 0.303 -15.974 -6.772 1.00 0.00 H new ATOM 0 HB3 GLU A 43 1.385 -15.995 -5.394 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -0.184 -15.086 -4.013 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -0.580 -13.823 -5.162 1.00 0.00 H new ATOM 640 N VAL A 44 1.028 -12.140 -5.317 1.00 0.00 N ATOM 641 CA VAL A 44 1.268 -11.116 -4.314 1.00 0.00 C ATOM 642 C VAL A 44 0.158 -11.170 -3.261 1.00 0.00 C ATOM 643 O VAL A 44 -1.021 -11.059 -3.592 1.00 0.00 O ATOM 644 CB VAL A 44 1.391 -9.746 -4.983 1.00 0.00 C ATOM 645 CG1 VAL A 44 0.982 -8.627 -4.023 1.00 0.00 C ATOM 646 CG2 VAL A 44 2.807 -9.521 -5.516 1.00 0.00 C ATOM 0 H VAL A 44 0.200 -11.987 -5.893 1.00 0.00 H new ATOM 0 HA VAL A 44 2.212 -11.298 -3.801 1.00 0.00 H new ATOM 0 HB VAL A 44 0.707 -9.726 -5.831 1.00 0.00 H new ATOM 0 HG11 VAL A 44 1.079 -7.664 -4.524 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -0.053 -8.773 -3.714 1.00 0.00 H new ATOM 0 HG13 VAL A 44 1.628 -8.646 -3.146 1.00 0.00 H new ATOM 0 HG21 VAL A 44 2.867 -8.540 -5.987 1.00 0.00 H new ATOM 0 HG22 VAL A 44 3.518 -9.572 -4.692 1.00 0.00 H new ATOM 0 HG23 VAL A 44 3.046 -10.291 -6.250 1.00 0.00 H new ATOM 656 N GLU A 45 0.576 -11.339 -2.015 1.00 0.00 N ATOM 657 CA GLU A 45 -0.367 -11.409 -0.913 1.00 0.00 C ATOM 658 C GLU A 45 -0.085 -10.297 0.099 1.00 0.00 C ATOM 659 O GLU A 45 0.733 -9.414 -0.157 1.00 0.00 O ATOM 660 CB GLU A 45 -0.326 -12.784 -0.242 1.00 0.00 C ATOM 661 CG GLU A 45 1.093 -13.129 0.213 1.00 0.00 C ATOM 662 CD GLU A 45 1.613 -14.373 -0.510 1.00 0.00 C ATOM 663 OE1 GLU A 45 1.551 -14.372 -1.758 1.00 0.00 O ATOM 664 OE2 GLU A 45 2.061 -15.298 0.203 1.00 0.00 O ATOM 0 H GLU A 45 1.555 -11.429 -1.745 1.00 0.00 H new ATOM 0 HA GLU A 45 -1.371 -11.265 -1.311 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -0.999 -12.795 0.615 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -0.683 -13.543 -0.938 1.00 0.00 H new ATOM 0 HG2 GLU A 45 1.756 -12.286 0.018 1.00 0.00 H new ATOM 0 HG3 GLU A 45 1.102 -13.299 1.290 1.00 0.00 H new ATOM 671 N ASP A 46 -0.777 -10.375 1.226 1.00 0.00 N ATOM 672 CA ASP A 46 -0.611 -9.386 2.277 1.00 0.00 C ATOM 673 C ASP A 46 0.670 -9.687 3.057 1.00 0.00 C ATOM 674 O ASP A 46 1.200 -8.817 3.746 1.00 0.00 O ATOM 675 CB ASP A 46 -1.783 -9.424 3.259 1.00 0.00 C ATOM 676 CG ASP A 46 -1.804 -10.634 4.195 1.00 0.00 C ATOM 677 OD1 ASP A 46 -2.412 -11.650 3.794 1.00 0.00 O ATOM 678 OD2 ASP A 46 -1.211 -10.516 5.289 1.00 0.00 O ATOM 0 H ASP A 46 -1.454 -11.109 1.434 1.00 0.00 H new ATOM 0 HA ASP A 46 -0.564 -8.402 1.810 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -1.761 -8.517 3.863 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -2.713 -9.406 2.692 1.00 0.00 H new ATOM 683 N SER A 47 1.130 -10.922 2.923 1.00 0.00 N ATOM 684 CA SER A 47 2.339 -11.350 3.607 1.00 0.00 C ATOM 685 C SER A 47 3.563 -11.061 2.735 1.00 0.00 C ATOM 686 O SER A 47 4.693 -11.085 3.219 1.00 0.00 O ATOM 687 CB SER A 47 2.276 -12.837 3.958 1.00 0.00 C ATOM 688 OG SER A 47 3.152 -13.170 5.032 1.00 0.00 O ATOM 0 H SER A 47 0.687 -11.641 2.351 1.00 0.00 H new ATOM 0 HA SER A 47 2.423 -10.789 4.538 1.00 0.00 H new ATOM 0 HB2 SER A 47 1.254 -13.103 4.228 1.00 0.00 H new ATOM 0 HB3 SER A 47 2.538 -13.428 3.080 1.00 0.00 H new ATOM 0 HG SER A 47 3.081 -14.128 5.227 1.00 0.00 H new ATOM 694 N THR A 48 3.296 -10.794 1.465 1.00 0.00 N ATOM 695 CA THR A 48 4.361 -10.501 0.522 1.00 0.00 C ATOM 696 C THR A 48 5.106 -9.230 0.937 1.00 0.00 C ATOM 697 O THR A 48 4.483 -8.220 1.261 1.00 0.00 O ATOM 698 CB THR A 48 3.746 -10.416 -0.876 1.00 0.00 C ATOM 699 OG1 THR A 48 3.983 -11.703 -1.439 1.00 0.00 O ATOM 700 CG2 THR A 48 4.509 -9.460 -1.795 1.00 0.00 C ATOM 0 H THR A 48 2.357 -10.775 1.067 1.00 0.00 H new ATOM 0 HA THR A 48 5.111 -11.292 0.514 1.00 0.00 H new ATOM 0 HB THR A 48 2.709 -10.091 -0.796 1.00 0.00 H new ATOM 0 HG1 THR A 48 3.916 -11.650 -2.415 1.00 0.00 H new ATOM 0 HG21 THR A 48 4.031 -9.437 -2.774 1.00 0.00 H new ATOM 0 HG22 THR A 48 4.502 -8.459 -1.365 1.00 0.00 H new ATOM 0 HG23 THR A 48 5.538 -9.802 -1.902 1.00 0.00 H new ATOM 708 N ASP A 49 6.427 -9.321 0.912 1.00 0.00 N ATOM 709 CA ASP A 49 7.263 -8.191 1.281 1.00 0.00 C ATOM 710 C ASP A 49 7.915 -7.613 0.024 1.00 0.00 C ATOM 711 O ASP A 49 8.616 -8.320 -0.698 1.00 0.00 O ATOM 712 CB ASP A 49 8.377 -8.620 2.237 1.00 0.00 C ATOM 713 CG ASP A 49 8.613 -7.678 3.420 1.00 0.00 C ATOM 714 OD1 ASP A 49 9.332 -6.676 3.213 1.00 0.00 O ATOM 715 OD2 ASP A 49 8.069 -7.980 4.503 1.00 0.00 O ATOM 0 H ASP A 49 6.940 -10.160 0.642 1.00 0.00 H new ATOM 0 HA ASP A 49 6.632 -7.450 1.772 1.00 0.00 H new ATOM 0 HB2 ASP A 49 8.142 -9.612 2.623 1.00 0.00 H new ATOM 0 HB3 ASP A 49 9.305 -8.710 1.672 1.00 0.00 H new ATOM 720 N PHE A 50 7.660 -6.332 -0.200 1.00 0.00 N ATOM 721 CA PHE A 50 8.214 -5.650 -1.358 1.00 0.00 C ATOM 722 C PHE A 50 9.695 -5.990 -1.538 1.00 0.00 C ATOM 723 O PHE A 50 10.173 -6.118 -2.664 1.00 0.00 O ATOM 724 CB PHE A 50 8.076 -4.148 -1.101 1.00 0.00 C ATOM 725 CG PHE A 50 8.325 -3.280 -2.336 1.00 0.00 C ATOM 726 CD1 PHE A 50 7.580 -3.465 -3.458 1.00 0.00 C ATOM 727 CD2 PHE A 50 9.291 -2.323 -2.311 1.00 0.00 C ATOM 728 CE1 PHE A 50 7.811 -2.659 -4.604 1.00 0.00 C ATOM 729 CE2 PHE A 50 9.523 -1.518 -3.457 1.00 0.00 C ATOM 730 CZ PHE A 50 8.778 -1.702 -4.579 1.00 0.00 C ATOM 0 H PHE A 50 7.077 -5.749 0.400 1.00 0.00 H new ATOM 0 HA PHE A 50 7.685 -5.959 -2.260 1.00 0.00 H new ATOM 0 HB2 PHE A 50 7.074 -3.945 -0.723 1.00 0.00 H new ATOM 0 HB3 PHE A 50 8.777 -3.858 -0.318 1.00 0.00 H new ATOM 0 HD1 PHE A 50 6.813 -4.225 -3.478 1.00 0.00 H new ATOM 0 HD2 PHE A 50 9.882 -2.175 -1.419 1.00 0.00 H new ATOM 0 HE1 PHE A 50 7.219 -2.806 -5.495 1.00 0.00 H new ATOM 0 HE2 PHE A 50 10.291 -0.759 -3.437 1.00 0.00 H new ATOM 0 HZ PHE A 50 8.954 -1.089 -5.450 1.00 0.00 H new ATOM 740 N PHE A 51 10.379 -6.127 -0.412 1.00 0.00 N ATOM 741 CA PHE A 51 11.796 -6.450 -0.432 1.00 0.00 C ATOM 742 C PHE A 51 12.013 -7.956 -0.589 1.00 0.00 C ATOM 743 O PHE A 51 12.548 -8.407 -1.601 1.00 0.00 O ATOM 744 CB PHE A 51 12.375 -6.001 0.911 1.00 0.00 C ATOM 745 CG PHE A 51 12.364 -4.485 1.119 1.00 0.00 C ATOM 746 CD1 PHE A 51 12.837 -3.662 0.145 1.00 0.00 C ATOM 747 CD2 PHE A 51 11.881 -3.961 2.277 1.00 0.00 C ATOM 748 CE1 PHE A 51 12.826 -2.255 0.337 1.00 0.00 C ATOM 749 CE2 PHE A 51 11.870 -2.554 2.469 1.00 0.00 C ATOM 750 CZ PHE A 51 12.342 -1.731 1.496 1.00 0.00 C ATOM 0 H PHE A 51 9.979 -6.020 0.520 1.00 0.00 H new ATOM 0 HA PHE A 51 12.280 -5.951 -1.272 1.00 0.00 H new ATOM 0 HB2 PHE A 51 11.808 -6.472 1.715 1.00 0.00 H new ATOM 0 HB3 PHE A 51 13.401 -6.361 0.991 1.00 0.00 H new ATOM 0 HD1 PHE A 51 13.221 -4.079 -0.774 1.00 0.00 H new ATOM 0 HD2 PHE A 51 11.506 -4.615 3.051 1.00 0.00 H new ATOM 0 HE1 PHE A 51 13.201 -1.601 -0.436 1.00 0.00 H new ATOM 0 HE2 PHE A 51 11.486 -2.138 3.389 1.00 0.00 H new ATOM 0 HZ PHE A 51 12.333 -0.661 1.643 1.00 0.00 H new ATOM 760 N LYS A 52 11.585 -8.693 0.426 1.00 0.00 N ATOM 761 CA LYS A 52 11.726 -10.139 0.412 1.00 0.00 C ATOM 762 C LYS A 52 11.447 -10.661 -0.998 1.00 0.00 C ATOM 763 O LYS A 52 12.043 -11.647 -1.428 1.00 0.00 O ATOM 764 CB LYS A 52 10.843 -10.773 1.489 1.00 0.00 C ATOM 765 CG LYS A 52 11.180 -10.216 2.873 1.00 0.00 C ATOM 766 CD LYS A 52 10.782 -11.202 3.973 1.00 0.00 C ATOM 767 CE LYS A 52 10.175 -10.470 5.172 1.00 0.00 C ATOM 768 NZ LYS A 52 9.973 -11.404 6.302 1.00 0.00 N ATOM 0 H LYS A 52 11.141 -8.316 1.263 1.00 0.00 H new ATOM 0 HA LYS A 52 12.748 -10.425 0.661 1.00 0.00 H new ATOM 0 HB2 LYS A 52 9.794 -10.583 1.262 1.00 0.00 H new ATOM 0 HB3 LYS A 52 10.979 -11.854 1.485 1.00 0.00 H new ATOM 0 HG2 LYS A 52 12.248 -10.008 2.935 1.00 0.00 H new ATOM 0 HG3 LYS A 52 10.662 -9.269 3.024 1.00 0.00 H new ATOM 0 HD2 LYS A 52 10.063 -11.921 3.579 1.00 0.00 H new ATOM 0 HD3 LYS A 52 11.657 -11.768 4.293 1.00 0.00 H new ATOM 0 HE2 LYS A 52 10.831 -9.656 5.479 1.00 0.00 H new ATOM 0 HE3 LYS A 52 9.223 -10.022 4.888 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 9.560 -10.891 7.107 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 9.329 -12.167 6.011 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 10.888 -11.812 6.583 1.00 0.00 H new ATOM 782 N SER A 53 10.540 -9.976 -1.680 1.00 0.00 N ATOM 783 CA SER A 53 10.175 -10.359 -3.033 1.00 0.00 C ATOM 784 C SER A 53 11.388 -10.237 -3.957 1.00 0.00 C ATOM 785 O SER A 53 11.976 -11.242 -4.352 1.00 0.00 O ATOM 786 CB SER A 53 9.021 -9.500 -3.556 1.00 0.00 C ATOM 787 OG SER A 53 7.758 -9.956 -3.079 1.00 0.00 O ATOM 0 H SER A 53 10.047 -9.158 -1.321 1.00 0.00 H new ATOM 0 HA SER A 53 9.842 -11.397 -3.017 1.00 0.00 H new ATOM 0 HB2 SER A 53 9.172 -8.465 -3.250 1.00 0.00 H new ATOM 0 HB3 SER A 53 9.024 -9.514 -4.646 1.00 0.00 H new ATOM 0 HG SER A 53 7.663 -9.725 -2.131 1.00 0.00 H new ATOM 793 N GLY A 54 11.727 -8.996 -4.275 1.00 0.00 N ATOM 794 CA GLY A 54 12.860 -8.729 -5.145 1.00 0.00 C ATOM 795 C GLY A 54 12.849 -7.278 -5.630 1.00 0.00 C ATOM 796 O GLY A 54 13.143 -7.006 -6.793 1.00 0.00 O ATOM 0 H GLY A 54 11.237 -8.164 -3.946 1.00 0.00 H new ATOM 0 HA2 GLY A 54 13.789 -8.931 -4.611 1.00 0.00 H new ATOM 0 HA3 GLY A 54 12.832 -9.403 -6.001 1.00 0.00 H new ATOM 800 N ALA A 55 12.507 -6.384 -4.714 1.00 0.00 N ATOM 801 CA ALA A 55 12.454 -4.968 -5.033 1.00 0.00 C ATOM 802 C ALA A 55 13.836 -4.348 -4.815 1.00 0.00 C ATOM 803 O ALA A 55 14.520 -4.674 -3.846 1.00 0.00 O ATOM 804 CB ALA A 55 11.372 -4.293 -4.187 1.00 0.00 C ATOM 0 H ALA A 55 12.264 -6.613 -3.750 1.00 0.00 H new ATOM 0 HA ALA A 55 12.188 -4.821 -6.080 1.00 0.00 H new ATOM 0 HB1 ALA A 55 11.333 -3.230 -4.427 1.00 0.00 H new ATOM 0 HB2 ALA A 55 10.405 -4.749 -4.401 1.00 0.00 H new ATOM 0 HB3 ALA A 55 11.606 -4.418 -3.130 1.00 0.00 H new ATOM 810 N ALA A 56 14.205 -3.466 -5.732 1.00 0.00 N ATOM 811 CA ALA A 56 15.493 -2.798 -5.651 1.00 0.00 C ATOM 812 C ALA A 56 15.293 -1.375 -5.125 1.00 0.00 C ATOM 813 O ALA A 56 14.184 -0.999 -4.750 1.00 0.00 O ATOM 814 CB ALA A 56 16.168 -2.822 -7.025 1.00 0.00 C ATOM 0 H ALA A 56 13.635 -3.198 -6.534 1.00 0.00 H new ATOM 0 HA ALA A 56 16.151 -3.317 -4.955 1.00 0.00 H new ATOM 0 HB1 ALA A 56 17.134 -2.321 -6.965 1.00 0.00 H new ATOM 0 HB2 ALA A 56 16.314 -3.855 -7.341 1.00 0.00 H new ATOM 0 HB3 ALA A 56 15.537 -2.307 -7.749 1.00 0.00 H new ATOM 820 N SER A 57 16.384 -0.624 -5.114 1.00 0.00 N ATOM 821 CA SER A 57 16.342 0.749 -4.640 1.00 0.00 C ATOM 822 C SER A 57 15.592 1.627 -5.644 1.00 0.00 C ATOM 823 O SER A 57 15.168 2.733 -5.311 1.00 0.00 O ATOM 824 CB SER A 57 17.752 1.295 -4.407 1.00 0.00 C ATOM 825 OG SER A 57 17.733 2.639 -3.935 1.00 0.00 O ATOM 0 H SER A 57 17.302 -0.940 -5.426 1.00 0.00 H new ATOM 0 HA SER A 57 15.813 0.765 -3.687 1.00 0.00 H new ATOM 0 HB2 SER A 57 18.270 0.664 -3.684 1.00 0.00 H new ATOM 0 HB3 SER A 57 18.318 1.245 -5.337 1.00 0.00 H new ATOM 0 HG SER A 57 18.652 2.950 -3.797 1.00 0.00 H new ATOM 831 N VAL A 58 15.451 1.101 -6.852 1.00 0.00 N ATOM 832 CA VAL A 58 14.760 1.823 -7.906 1.00 0.00 C ATOM 833 C VAL A 58 13.274 1.460 -7.877 1.00 0.00 C ATOM 834 O VAL A 58 12.422 2.292 -8.184 1.00 0.00 O ATOM 835 CB VAL A 58 15.419 1.535 -9.257 1.00 0.00 C ATOM 836 CG1 VAL A 58 16.943 1.490 -9.124 1.00 0.00 C ATOM 837 CG2 VAL A 58 14.883 0.237 -9.863 1.00 0.00 C ATOM 0 H VAL A 58 15.804 0.183 -7.124 1.00 0.00 H new ATOM 0 HA VAL A 58 14.836 2.898 -7.745 1.00 0.00 H new ATOM 0 HB VAL A 58 15.165 2.350 -9.935 1.00 0.00 H new ATOM 0 HG11 VAL A 58 17.387 1.284 -10.098 1.00 0.00 H new ATOM 0 HG12 VAL A 58 17.305 2.450 -8.756 1.00 0.00 H new ATOM 0 HG13 VAL A 58 17.224 0.704 -8.423 1.00 0.00 H new ATOM 0 HG21 VAL A 58 15.368 0.056 -10.822 1.00 0.00 H new ATOM 0 HG22 VAL A 58 15.092 -0.593 -9.188 1.00 0.00 H new ATOM 0 HG23 VAL A 58 13.806 0.322 -10.011 1.00 0.00 H new ATOM 847 N ASP A 59 13.008 0.217 -7.504 1.00 0.00 N ATOM 848 CA ASP A 59 11.640 -0.266 -7.431 1.00 0.00 C ATOM 849 C ASP A 59 10.852 0.595 -6.442 1.00 0.00 C ATOM 850 O ASP A 59 9.671 0.865 -6.652 1.00 0.00 O ATOM 851 CB ASP A 59 11.593 -1.714 -6.940 1.00 0.00 C ATOM 852 CG ASP A 59 10.205 -2.359 -6.959 1.00 0.00 C ATOM 853 OD1 ASP A 59 9.330 -1.801 -7.655 1.00 0.00 O ATOM 854 OD2 ASP A 59 10.051 -3.395 -6.277 1.00 0.00 O ATOM 0 H ASP A 59 13.717 -0.470 -7.249 1.00 0.00 H new ATOM 0 HA ASP A 59 11.209 -0.210 -8.430 1.00 0.00 H new ATOM 0 HB2 ASP A 59 12.264 -2.313 -7.556 1.00 0.00 H new ATOM 0 HB3 ASP A 59 11.979 -1.749 -5.921 1.00 0.00 H new ATOM 859 N VAL A 60 11.538 1.002 -5.384 1.00 0.00 N ATOM 860 CA VAL A 60 10.917 1.826 -4.361 1.00 0.00 C ATOM 861 C VAL A 60 10.251 3.035 -5.022 1.00 0.00 C ATOM 862 O VAL A 60 9.076 3.308 -4.783 1.00 0.00 O ATOM 863 CB VAL A 60 11.952 2.218 -3.305 1.00 0.00 C ATOM 864 CG1 VAL A 60 11.382 3.256 -2.336 1.00 0.00 C ATOM 865 CG2 VAL A 60 12.460 0.987 -2.552 1.00 0.00 C ATOM 0 H VAL A 60 12.518 0.776 -5.213 1.00 0.00 H new ATOM 0 HA VAL A 60 10.138 1.268 -3.842 1.00 0.00 H new ATOM 0 HB VAL A 60 12.800 2.670 -3.820 1.00 0.00 H new ATOM 0 HG11 VAL A 60 12.138 3.517 -1.596 1.00 0.00 H new ATOM 0 HG12 VAL A 60 11.092 4.149 -2.889 1.00 0.00 H new ATOM 0 HG13 VAL A 60 10.509 2.842 -1.832 1.00 0.00 H new ATOM 0 HG21 VAL A 60 13.195 1.293 -1.807 1.00 0.00 H new ATOM 0 HG22 VAL A 60 11.624 0.493 -2.056 1.00 0.00 H new ATOM 0 HG23 VAL A 60 12.924 0.296 -3.256 1.00 0.00 H new ATOM 875 N VAL A 61 11.030 3.726 -5.841 1.00 0.00 N ATOM 876 CA VAL A 61 10.531 4.899 -6.538 1.00 0.00 C ATOM 877 C VAL A 61 9.500 4.465 -7.582 1.00 0.00 C ATOM 878 O VAL A 61 8.540 5.187 -7.850 1.00 0.00 O ATOM 879 CB VAL A 61 11.696 5.686 -7.139 1.00 0.00 C ATOM 880 CG1 VAL A 61 11.208 6.991 -7.773 1.00 0.00 C ATOM 881 CG2 VAL A 61 12.775 5.957 -6.089 1.00 0.00 C ATOM 0 H VAL A 61 12.004 3.496 -6.038 1.00 0.00 H new ATOM 0 HA VAL A 61 10.028 5.571 -5.843 1.00 0.00 H new ATOM 0 HB VAL A 61 12.140 5.077 -7.926 1.00 0.00 H new ATOM 0 HG11 VAL A 61 12.057 7.531 -8.193 1.00 0.00 H new ATOM 0 HG12 VAL A 61 10.493 6.766 -8.565 1.00 0.00 H new ATOM 0 HG13 VAL A 61 10.726 7.607 -7.013 1.00 0.00 H new ATOM 0 HG21 VAL A 61 13.592 6.518 -6.543 1.00 0.00 H new ATOM 0 HG22 VAL A 61 12.348 6.536 -5.270 1.00 0.00 H new ATOM 0 HG23 VAL A 61 13.155 5.010 -5.705 1.00 0.00 H new ATOM 891 N ARG A 62 9.733 3.288 -8.144 1.00 0.00 N ATOM 892 CA ARG A 62 8.837 2.750 -9.153 1.00 0.00 C ATOM 893 C ARG A 62 7.440 2.540 -8.565 1.00 0.00 C ATOM 894 O ARG A 62 6.460 3.082 -9.075 1.00 0.00 O ATOM 895 CB ARG A 62 9.358 1.419 -9.699 1.00 0.00 C ATOM 896 CG ARG A 62 9.087 1.299 -11.200 1.00 0.00 C ATOM 897 CD ARG A 62 9.788 0.072 -11.787 1.00 0.00 C ATOM 898 NE ARG A 62 8.944 -0.538 -12.838 1.00 0.00 N ATOM 899 CZ ARG A 62 9.392 -1.418 -13.745 1.00 0.00 C ATOM 900 NH1 ARG A 62 10.678 -1.795 -13.735 1.00 0.00 N ATOM 901 NH2 ARG A 62 8.554 -1.920 -14.662 1.00 0.00 N ATOM 0 H ARG A 62 10.530 2.692 -7.920 1.00 0.00 H new ATOM 0 HA ARG A 62 8.787 3.470 -9.970 1.00 0.00 H new ATOM 0 HB2 ARG A 62 10.429 1.339 -9.512 1.00 0.00 H new ATOM 0 HB3 ARG A 62 8.880 0.593 -9.172 1.00 0.00 H new ATOM 0 HG2 ARG A 62 8.013 1.227 -11.375 1.00 0.00 H new ATOM 0 HG3 ARG A 62 9.434 2.198 -11.709 1.00 0.00 H new ATOM 0 HD2 ARG A 62 10.753 0.359 -12.205 1.00 0.00 H new ATOM 0 HD3 ARG A 62 9.986 -0.656 -11.000 1.00 0.00 H new ATOM 0 HE ARG A 62 7.960 -0.273 -12.875 1.00 0.00 H new ATOM 0 HH11 ARG A 62 11.316 -1.412 -13.037 1.00 0.00 H new ATOM 0 HH12 ARG A 62 11.019 -2.464 -14.425 1.00 0.00 H new ATOM 0 HH21 ARG A 62 7.575 -1.633 -14.670 1.00 0.00 H new ATOM 0 HH22 ARG A 62 8.895 -2.589 -15.352 1.00 0.00 H new ATOM 915 N LEU A 63 7.393 1.754 -7.500 1.00 0.00 N ATOM 916 CA LEU A 63 6.133 1.466 -6.837 1.00 0.00 C ATOM 917 C LEU A 63 5.466 2.780 -6.425 1.00 0.00 C ATOM 918 O LEU A 63 4.287 2.995 -6.701 1.00 0.00 O ATOM 919 CB LEU A 63 6.348 0.494 -5.675 1.00 0.00 C ATOM 920 CG LEU A 63 5.382 0.634 -4.496 1.00 0.00 C ATOM 921 CD1 LEU A 63 3.965 0.222 -4.898 1.00 0.00 C ATOM 922 CD2 LEU A 63 5.884 -0.149 -3.281 1.00 0.00 C ATOM 0 H LEU A 63 8.208 1.307 -7.079 1.00 0.00 H new ATOM 0 HA LEU A 63 5.450 0.962 -7.521 1.00 0.00 H new ATOM 0 HB2 LEU A 63 6.275 -0.523 -6.060 1.00 0.00 H new ATOM 0 HB3 LEU A 63 7.365 0.622 -5.303 1.00 0.00 H new ATOM 0 HG LEU A 63 5.343 1.685 -4.208 1.00 0.00 H new ATOM 0 HD11 LEU A 63 3.298 0.331 -4.043 1.00 0.00 H new ATOM 0 HD12 LEU A 63 3.618 0.859 -5.712 1.00 0.00 H new ATOM 0 HD13 LEU A 63 3.968 -0.817 -5.226 1.00 0.00 H new ATOM 0 HD21 LEU A 63 5.180 -0.033 -2.457 1.00 0.00 H new ATOM 0 HD22 LEU A 63 5.970 -1.205 -3.539 1.00 0.00 H new ATOM 0 HD23 LEU A 63 6.860 0.232 -2.980 1.00 0.00 H new ATOM 934 N VAL A 64 6.250 3.624 -5.770 1.00 0.00 N ATOM 935 CA VAL A 64 5.751 4.911 -5.317 1.00 0.00 C ATOM 936 C VAL A 64 5.310 5.737 -6.527 1.00 0.00 C ATOM 937 O VAL A 64 4.283 6.411 -6.482 1.00 0.00 O ATOM 938 CB VAL A 64 6.812 5.614 -4.468 1.00 0.00 C ATOM 939 CG1 VAL A 64 6.263 6.911 -3.869 1.00 0.00 C ATOM 940 CG2 VAL A 64 7.342 4.686 -3.374 1.00 0.00 C ATOM 0 H VAL A 64 7.227 3.441 -5.542 1.00 0.00 H new ATOM 0 HA VAL A 64 4.878 4.779 -4.678 1.00 0.00 H new ATOM 0 HB VAL A 64 7.646 5.873 -5.120 1.00 0.00 H new ATOM 0 HG11 VAL A 64 7.037 7.391 -3.270 1.00 0.00 H new ATOM 0 HG12 VAL A 64 5.957 7.582 -4.672 1.00 0.00 H new ATOM 0 HG13 VAL A 64 5.404 6.685 -3.238 1.00 0.00 H new ATOM 0 HG21 VAL A 64 8.095 5.210 -2.785 1.00 0.00 H new ATOM 0 HG22 VAL A 64 6.521 4.382 -2.725 1.00 0.00 H new ATOM 0 HG23 VAL A 64 7.789 3.803 -3.831 1.00 0.00 H new ATOM 950 N GLU A 65 6.110 5.657 -7.581 1.00 0.00 N ATOM 951 CA GLU A 65 5.815 6.389 -8.801 1.00 0.00 C ATOM 952 C GLU A 65 4.562 5.821 -9.471 1.00 0.00 C ATOM 953 O GLU A 65 3.729 6.573 -9.976 1.00 0.00 O ATOM 954 CB GLU A 65 7.008 6.361 -9.759 1.00 0.00 C ATOM 955 CG GLU A 65 8.099 7.333 -9.304 1.00 0.00 C ATOM 956 CD GLU A 65 8.107 8.594 -10.171 1.00 0.00 C ATOM 957 OE1 GLU A 65 8.389 8.449 -11.380 1.00 0.00 O ATOM 958 OE2 GLU A 65 7.830 9.673 -9.606 1.00 0.00 O ATOM 0 H GLU A 65 6.962 5.097 -7.615 1.00 0.00 H new ATOM 0 HA GLU A 65 5.624 7.430 -8.540 1.00 0.00 H new ATOM 0 HB2 GLU A 65 7.414 5.351 -9.810 1.00 0.00 H new ATOM 0 HB3 GLU A 65 6.678 6.623 -10.764 1.00 0.00 H new ATOM 0 HG2 GLU A 65 7.936 7.605 -8.261 1.00 0.00 H new ATOM 0 HG3 GLU A 65 9.072 6.844 -9.358 1.00 0.00 H new ATOM 965 N GLU A 66 4.466 4.500 -9.452 1.00 0.00 N ATOM 966 CA GLU A 66 3.329 3.823 -10.051 1.00 0.00 C ATOM 967 C GLU A 66 2.043 4.185 -9.305 1.00 0.00 C ATOM 968 O GLU A 66 1.089 4.676 -9.907 1.00 0.00 O ATOM 969 CB GLU A 66 3.541 2.308 -10.074 1.00 0.00 C ATOM 970 CG GLU A 66 4.635 1.923 -11.072 1.00 0.00 C ATOM 971 CD GLU A 66 4.197 0.737 -11.935 1.00 0.00 C ATOM 972 OE1 GLU A 66 3.184 0.898 -12.649 1.00 0.00 O ATOM 973 OE2 GLU A 66 4.886 -0.303 -11.860 1.00 0.00 O ATOM 0 H GLU A 66 5.158 3.880 -9.031 1.00 0.00 H new ATOM 0 HA GLU A 66 3.235 4.159 -11.084 1.00 0.00 H new ATOM 0 HB2 GLU A 66 3.814 1.960 -9.078 1.00 0.00 H new ATOM 0 HB3 GLU A 66 2.609 1.811 -10.341 1.00 0.00 H new ATOM 0 HG2 GLU A 66 4.867 2.776 -11.710 1.00 0.00 H new ATOM 0 HG3 GLU A 66 5.549 1.669 -10.535 1.00 0.00 H new ATOM 980 N VAL A 67 2.058 3.929 -8.006 1.00 0.00 N ATOM 981 CA VAL A 67 0.905 4.221 -7.171 1.00 0.00 C ATOM 982 C VAL A 67 0.589 5.716 -7.252 1.00 0.00 C ATOM 983 O VAL A 67 -0.510 6.141 -6.899 1.00 0.00 O ATOM 984 CB VAL A 67 1.159 3.740 -5.741 1.00 0.00 C ATOM 985 CG1 VAL A 67 -0.021 4.084 -4.829 1.00 0.00 C ATOM 986 CG2 VAL A 67 1.455 2.239 -5.712 1.00 0.00 C ATOM 0 H VAL A 67 2.851 3.522 -7.510 1.00 0.00 H new ATOM 0 HA VAL A 67 0.027 3.683 -7.529 1.00 0.00 H new ATOM 0 HB VAL A 67 2.038 4.262 -5.363 1.00 0.00 H new ATOM 0 HG11 VAL A 67 0.185 3.731 -3.819 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -0.166 5.164 -4.814 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -0.924 3.602 -5.204 1.00 0.00 H new ATOM 0 HG21 VAL A 67 1.632 1.923 -4.684 1.00 0.00 H new ATOM 0 HG22 VAL A 67 0.604 1.692 -6.118 1.00 0.00 H new ATOM 0 HG23 VAL A 67 2.340 2.031 -6.313 1.00 0.00 H new ATOM 996 N LYS A 68 1.572 6.472 -7.717 1.00 0.00 N ATOM 997 CA LYS A 68 1.413 7.910 -7.849 1.00 0.00 C ATOM 998 C LYS A 68 0.394 8.207 -8.951 1.00 0.00 C ATOM 999 O LYS A 68 -0.528 8.996 -8.753 1.00 0.00 O ATOM 1000 CB LYS A 68 2.770 8.582 -8.067 1.00 0.00 C ATOM 1001 CG LYS A 68 3.114 9.513 -6.903 1.00 0.00 C ATOM 1002 CD LYS A 68 4.444 9.116 -6.258 1.00 0.00 C ATOM 1003 CE LYS A 68 5.185 10.345 -5.728 1.00 0.00 C ATOM 1004 NZ LYS A 68 6.449 9.945 -5.071 1.00 0.00 N ATOM 0 H LYS A 68 2.482 6.115 -8.007 1.00 0.00 H new ATOM 0 HA LYS A 68 1.018 8.336 -6.927 1.00 0.00 H new ATOM 0 HB2 LYS A 68 3.544 7.822 -8.170 1.00 0.00 H new ATOM 0 HB3 LYS A 68 2.754 9.149 -8.998 1.00 0.00 H new ATOM 0 HG2 LYS A 68 3.171 10.541 -7.260 1.00 0.00 H new ATOM 0 HG3 LYS A 68 2.319 9.478 -6.158 1.00 0.00 H new ATOM 0 HD2 LYS A 68 4.262 8.417 -5.442 1.00 0.00 H new ATOM 0 HD3 LYS A 68 5.066 8.599 -6.988 1.00 0.00 H new ATOM 0 HE2 LYS A 68 5.396 11.031 -6.548 1.00 0.00 H new ATOM 0 HE3 LYS A 68 4.553 10.880 -5.019 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 7.095 10.759 -5.037 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 6.250 9.620 -4.103 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 6.892 9.174 -5.610 1.00 0.00 H new ATOM 1018 N GLU A 69 0.596 7.560 -10.089 1.00 0.00 N ATOM 1019 CA GLU A 69 -0.293 7.745 -11.224 1.00 0.00 C ATOM 1020 C GLU A 69 -1.680 7.181 -10.908 1.00 0.00 C ATOM 1021 O GLU A 69 -2.656 7.516 -11.577 1.00 0.00 O ATOM 1022 CB GLU A 69 0.287 7.101 -12.485 1.00 0.00 C ATOM 1023 CG GLU A 69 1.762 7.468 -12.660 1.00 0.00 C ATOM 1024 CD GLU A 69 1.976 8.290 -13.932 1.00 0.00 C ATOM 1025 OE1 GLU A 69 1.823 9.527 -13.841 1.00 0.00 O ATOM 1026 OE2 GLU A 69 2.287 7.663 -14.968 1.00 0.00 O ATOM 0 H GLU A 69 1.363 6.907 -10.250 1.00 0.00 H new ATOM 0 HA GLU A 69 -0.391 8.814 -11.414 1.00 0.00 H new ATOM 0 HB2 GLU A 69 0.183 6.018 -12.425 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -0.279 7.428 -13.358 1.00 0.00 H new ATOM 0 HG2 GLU A 69 2.104 8.035 -11.794 1.00 0.00 H new ATOM 0 HG3 GLU A 69 2.363 6.560 -12.704 1.00 0.00 H new ATOM 1033 N LEU A 70 -1.722 6.336 -9.889 1.00 0.00 N ATOM 1034 CA LEU A 70 -2.974 5.723 -9.477 1.00 0.00 C ATOM 1035 C LEU A 70 -3.888 6.793 -8.878 1.00 0.00 C ATOM 1036 O LEU A 70 -5.065 6.876 -9.226 1.00 0.00 O ATOM 1037 CB LEU A 70 -2.709 4.544 -8.538 1.00 0.00 C ATOM 1038 CG LEU A 70 -2.429 3.199 -9.212 1.00 0.00 C ATOM 1039 CD1 LEU A 70 -2.270 2.088 -8.173 1.00 0.00 C ATOM 1040 CD2 LEU A 70 -3.507 2.868 -10.245 1.00 0.00 C ATOM 0 H LEU A 70 -0.910 6.061 -9.336 1.00 0.00 H new ATOM 0 HA LEU A 70 -3.495 5.304 -10.338 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -1.858 4.794 -7.904 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -3.572 4.427 -7.882 1.00 0.00 H new ATOM 0 HG LEU A 70 -1.483 3.276 -9.748 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -2.072 1.143 -8.678 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -1.438 2.326 -7.510 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -3.186 2.002 -7.589 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -3.284 1.907 -10.709 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -4.478 2.817 -9.753 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -3.528 3.644 -11.010 1.00 0.00 H new ATOM 1052 N CYS A 71 -3.312 7.587 -7.987 1.00 0.00 N ATOM 1053 CA CYS A 71 -4.060 8.649 -7.336 1.00 0.00 C ATOM 1054 C CYS A 71 -3.644 9.982 -7.960 1.00 0.00 C ATOM 1055 O CYS A 71 -4.003 11.046 -7.458 1.00 0.00 O ATOM 1056 CB CYS A 71 -3.853 8.639 -5.820 1.00 0.00 C ATOM 1057 SG CYS A 71 -5.329 9.322 -4.982 1.00 0.00 S ATOM 0 H CYS A 71 -2.336 7.516 -7.701 1.00 0.00 H new ATOM 0 HA CYS A 71 -5.128 8.494 -7.492 1.00 0.00 H new ATOM 0 HB2 CYS A 71 -3.668 7.621 -5.477 1.00 0.00 H new ATOM 0 HB3 CYS A 71 -2.973 9.227 -5.561 1.00 0.00 H new ATOM 0 HG CYS A 71 -5.649 10.459 -5.525 1.00 0.00 H new ATOM 1063 N ASP A 72 -2.893 9.881 -9.047 1.00 0.00 N ATOM 1064 CA ASP A 72 -2.425 11.066 -9.746 1.00 0.00 C ATOM 1065 C ASP A 72 -1.525 11.880 -8.814 1.00 0.00 C ATOM 1066 O ASP A 72 -1.974 12.847 -8.200 1.00 0.00 O ATOM 1067 CB ASP A 72 -3.596 11.955 -10.168 1.00 0.00 C ATOM 1068 CG ASP A 72 -3.200 13.257 -10.868 1.00 0.00 C ATOM 1069 OD1 ASP A 72 -2.084 13.741 -10.578 1.00 0.00 O ATOM 1070 OD2 ASP A 72 -4.021 13.739 -11.677 1.00 0.00 O ATOM 0 H ASP A 72 -2.597 8.997 -9.461 1.00 0.00 H new ATOM 0 HA ASP A 72 -1.881 10.742 -10.633 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -4.244 11.385 -10.834 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -4.184 12.200 -9.283 1.00 0.00 H new ATOM 1075 N GLY A 73 -0.271 11.459 -8.738 1.00 0.00 N ATOM 1076 CA GLY A 73 0.696 12.137 -7.891 1.00 0.00 C ATOM 1077 C GLY A 73 0.391 11.899 -6.411 1.00 0.00 C ATOM 1078 O GLY A 73 0.423 12.831 -5.609 1.00 0.00 O ATOM 0 H GLY A 73 0.098 10.657 -9.249 1.00 0.00 H new ATOM 0 HA2 GLY A 73 1.700 11.780 -8.121 1.00 0.00 H new ATOM 0 HA3 GLY A 73 0.682 13.206 -8.101 1.00 0.00 H new ATOM 1082 N LEU A 74 0.101 10.645 -6.093 1.00 0.00 N ATOM 1083 CA LEU A 74 -0.210 10.273 -4.724 1.00 0.00 C ATOM 1084 C LEU A 74 0.873 10.822 -3.792 1.00 0.00 C ATOM 1085 O LEU A 74 2.028 10.962 -4.191 1.00 0.00 O ATOM 1086 CB LEU A 74 -0.407 8.760 -4.612 1.00 0.00 C ATOM 1087 CG LEU A 74 -0.609 8.212 -3.197 1.00 0.00 C ATOM 1088 CD1 LEU A 74 -1.956 8.657 -2.625 1.00 0.00 C ATOM 1089 CD2 LEU A 74 -0.449 6.691 -3.170 1.00 0.00 C ATOM 0 H LEU A 74 0.075 9.874 -6.761 1.00 0.00 H new ATOM 0 HA LEU A 74 -1.155 10.719 -4.414 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -1.271 8.481 -5.215 1.00 0.00 H new ATOM 0 HB3 LEU A 74 0.461 8.267 -5.051 1.00 0.00 H new ATOM 0 HG LEU A 74 0.167 8.628 -2.555 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -2.075 8.254 -1.619 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -1.993 9.746 -2.587 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -2.761 8.288 -3.261 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -0.597 6.328 -2.153 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -1.188 6.236 -3.830 1.00 0.00 H new ATOM 0 HD23 LEU A 74 0.552 6.424 -3.508 1.00 0.00 H new ATOM 1101 N GLU A 75 0.461 11.118 -2.568 1.00 0.00 N ATOM 1102 CA GLU A 75 1.381 11.648 -1.577 1.00 0.00 C ATOM 1103 C GLU A 75 2.171 10.513 -0.924 1.00 0.00 C ATOM 1104 O GLU A 75 2.099 10.318 0.288 1.00 0.00 O ATOM 1105 CB GLU A 75 0.637 12.473 -0.524 1.00 0.00 C ATOM 1106 CG GLU A 75 -0.463 11.646 0.144 1.00 0.00 C ATOM 1107 CD GLU A 75 -0.980 12.340 1.406 1.00 0.00 C ATOM 1108 OE1 GLU A 75 -0.134 12.909 2.128 1.00 0.00 O ATOM 1109 OE2 GLU A 75 -2.211 12.284 1.620 1.00 0.00 O ATOM 0 H GLU A 75 -0.498 11.001 -2.240 1.00 0.00 H new ATOM 0 HA GLU A 75 2.084 12.311 -2.082 1.00 0.00 H new ATOM 0 HB2 GLU A 75 1.340 12.826 0.230 1.00 0.00 H new ATOM 0 HB3 GLU A 75 0.200 13.356 -0.991 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -1.285 11.495 -0.555 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -0.077 10.659 0.399 1.00 0.00 H new ATOM 1116 N LEU A 76 2.908 9.792 -1.758 1.00 0.00 N ATOM 1117 CA LEU A 76 3.711 8.681 -1.277 1.00 0.00 C ATOM 1118 C LEU A 76 5.192 9.059 -1.350 1.00 0.00 C ATOM 1119 O LEU A 76 5.604 9.800 -2.241 1.00 0.00 O ATOM 1120 CB LEU A 76 3.365 7.401 -2.040 1.00 0.00 C ATOM 1121 CG LEU A 76 3.722 6.087 -1.342 1.00 0.00 C ATOM 1122 CD1 LEU A 76 2.708 5.755 -0.246 1.00 0.00 C ATOM 1123 CD2 LEU A 76 3.865 4.949 -2.355 1.00 0.00 C ATOM 0 H LEU A 76 2.965 9.956 -2.763 1.00 0.00 H new ATOM 0 HA LEU A 76 3.486 8.472 -0.231 1.00 0.00 H new ATOM 0 HB2 LEU A 76 2.294 7.402 -2.244 1.00 0.00 H new ATOM 0 HB3 LEU A 76 3.874 7.427 -3.004 1.00 0.00 H new ATOM 0 HG LEU A 76 4.691 6.210 -0.857 1.00 0.00 H new ATOM 0 HD11 LEU A 76 2.985 4.816 0.234 1.00 0.00 H new ATOM 0 HD12 LEU A 76 2.700 6.553 0.496 1.00 0.00 H new ATOM 0 HD13 LEU A 76 1.715 5.658 -0.686 1.00 0.00 H new ATOM 0 HD21 LEU A 76 4.119 4.027 -1.833 1.00 0.00 H new ATOM 0 HD22 LEU A 76 2.924 4.816 -2.889 1.00 0.00 H new ATOM 0 HD23 LEU A 76 4.654 5.192 -3.066 1.00 0.00 H new ATOM 1135 N GLU A 77 5.952 8.532 -0.401 1.00 0.00 N ATOM 1136 CA GLU A 77 7.378 8.805 -0.346 1.00 0.00 C ATOM 1137 C GLU A 77 8.159 7.506 -0.134 1.00 0.00 C ATOM 1138 O GLU A 77 7.617 6.529 0.381 1.00 0.00 O ATOM 1139 CB GLU A 77 7.699 9.823 0.749 1.00 0.00 C ATOM 1140 CG GLU A 77 6.599 9.852 1.812 1.00 0.00 C ATOM 1141 CD GLU A 77 6.858 10.955 2.840 1.00 0.00 C ATOM 1142 OE1 GLU A 77 6.780 12.136 2.437 1.00 0.00 O ATOM 1143 OE2 GLU A 77 7.128 10.593 4.005 1.00 0.00 O ATOM 0 H GLU A 77 5.607 7.917 0.336 1.00 0.00 H new ATOM 0 HA GLU A 77 7.683 9.238 -1.299 1.00 0.00 H new ATOM 0 HB2 GLU A 77 8.652 9.573 1.214 1.00 0.00 H new ATOM 0 HB3 GLU A 77 7.809 10.814 0.308 1.00 0.00 H new ATOM 0 HG2 GLU A 77 5.632 10.014 1.335 1.00 0.00 H new ATOM 0 HG3 GLU A 77 6.549 8.886 2.315 1.00 0.00 H new ATOM 1150 N ASN A 78 9.419 7.538 -0.541 1.00 0.00 N ATOM 1151 CA ASN A 78 10.280 6.376 -0.402 1.00 0.00 C ATOM 1152 C ASN A 78 10.175 5.836 1.026 1.00 0.00 C ATOM 1153 O ASN A 78 10.281 4.631 1.248 1.00 0.00 O ATOM 1154 CB ASN A 78 11.743 6.739 -0.664 1.00 0.00 C ATOM 1155 CG ASN A 78 11.931 7.262 -2.089 1.00 0.00 C ATOM 1156 OD1 ASN A 78 12.036 6.510 -3.045 1.00 0.00 O ATOM 1157 ND2 ASN A 78 11.969 8.588 -2.179 1.00 0.00 N ATOM 0 H ASN A 78 9.865 8.350 -0.967 1.00 0.00 H new ATOM 0 HA ASN A 78 9.958 5.630 -1.129 1.00 0.00 H new ATOM 0 HB2 ASN A 78 12.067 7.495 0.051 1.00 0.00 H new ATOM 0 HB3 ASN A 78 12.372 5.863 -0.508 1.00 0.00 H new ATOM 0 HD21 ASN A 78 12.092 9.034 -3.088 1.00 0.00 H new ATOM 0 HD22 ASN A 78 11.875 9.159 -1.339 1.00 0.00 H new ATOM 1164 N GLU A 79 9.967 6.755 1.957 1.00 0.00 N ATOM 1165 CA GLU A 79 9.847 6.387 3.358 1.00 0.00 C ATOM 1166 C GLU A 79 8.685 5.410 3.552 1.00 0.00 C ATOM 1167 O GLU A 79 8.850 4.359 4.169 1.00 0.00 O ATOM 1168 CB GLU A 79 9.673 7.627 4.238 1.00 0.00 C ATOM 1169 CG GLU A 79 10.943 7.910 5.043 1.00 0.00 C ATOM 1170 CD GLU A 79 10.720 7.633 6.532 1.00 0.00 C ATOM 1171 OE1 GLU A 79 10.760 6.439 6.899 1.00 0.00 O ATOM 1172 OE2 GLU A 79 10.516 8.622 7.268 1.00 0.00 O ATOM 0 H GLU A 79 9.878 7.754 1.769 1.00 0.00 H new ATOM 0 HA GLU A 79 10.768 5.891 3.664 1.00 0.00 H new ATOM 0 HB2 GLU A 79 9.433 8.489 3.615 1.00 0.00 H new ATOM 0 HB3 GLU A 79 8.833 7.481 4.917 1.00 0.00 H new ATOM 0 HG2 GLU A 79 11.759 7.290 4.672 1.00 0.00 H new ATOM 0 HG3 GLU A 79 11.243 8.949 4.903 1.00 0.00 H new ATOM 1179 N ASP A 80 7.537 5.792 3.013 1.00 0.00 N ATOM 1180 CA ASP A 80 6.348 4.963 3.119 1.00 0.00 C ATOM 1181 C ASP A 80 6.714 3.512 2.800 1.00 0.00 C ATOM 1182 O ASP A 80 6.403 2.606 3.572 1.00 0.00 O ATOM 1183 CB ASP A 80 5.274 5.410 2.125 1.00 0.00 C ATOM 1184 CG ASP A 80 4.604 6.745 2.455 1.00 0.00 C ATOM 1185 OD1 ASP A 80 4.192 6.901 3.625 1.00 0.00 O ATOM 1186 OD2 ASP A 80 4.518 7.581 1.528 1.00 0.00 O ATOM 0 H ASP A 80 7.405 6.664 2.501 1.00 0.00 H new ATOM 0 HA ASP A 80 5.961 5.056 4.134 1.00 0.00 H new ATOM 0 HB2 ASP A 80 5.724 5.481 1.135 1.00 0.00 H new ATOM 0 HB3 ASP A 80 4.506 4.638 2.071 1.00 0.00 H new ATOM 1191 N VAL A 81 7.368 3.337 1.661 1.00 0.00 N ATOM 1192 CA VAL A 81 7.779 2.012 1.230 1.00 0.00 C ATOM 1193 C VAL A 81 8.633 1.367 2.323 1.00 0.00 C ATOM 1194 O VAL A 81 8.429 0.205 2.671 1.00 0.00 O ATOM 1195 CB VAL A 81 8.498 2.099 -0.117 1.00 0.00 C ATOM 1196 CG1 VAL A 81 8.920 0.712 -0.605 1.00 0.00 C ATOM 1197 CG2 VAL A 81 7.628 2.806 -1.159 1.00 0.00 C ATOM 0 H VAL A 81 7.623 4.091 1.023 1.00 0.00 H new ATOM 0 HA VAL A 81 6.909 1.373 1.078 1.00 0.00 H new ATOM 0 HB VAL A 81 9.401 2.693 0.024 1.00 0.00 H new ATOM 0 HG11 VAL A 81 9.429 0.803 -1.565 1.00 0.00 H new ATOM 0 HG12 VAL A 81 9.595 0.260 0.122 1.00 0.00 H new ATOM 0 HG13 VAL A 81 8.037 0.083 -0.721 1.00 0.00 H new ATOM 0 HG21 VAL A 81 8.163 2.854 -2.107 1.00 0.00 H new ATOM 0 HG22 VAL A 81 6.699 2.252 -1.294 1.00 0.00 H new ATOM 0 HG23 VAL A 81 7.401 3.816 -0.819 1.00 0.00 H new ATOM 1207 N TYR A 82 9.573 2.149 2.834 1.00 0.00 N ATOM 1208 CA TYR A 82 10.459 1.669 3.881 1.00 0.00 C ATOM 1209 C TYR A 82 9.683 1.384 5.168 1.00 0.00 C ATOM 1210 O TYR A 82 10.088 0.541 5.967 1.00 0.00 O ATOM 1211 CB TYR A 82 11.456 2.800 4.141 1.00 0.00 C ATOM 1212 CG TYR A 82 12.257 3.219 2.906 1.00 0.00 C ATOM 1213 CD1 TYR A 82 12.393 2.349 1.843 1.00 0.00 C ATOM 1214 CD2 TYR A 82 12.843 4.468 2.855 1.00 0.00 C ATOM 1215 CE1 TYR A 82 13.146 2.744 0.681 1.00 0.00 C ATOM 1216 CE2 TYR A 82 13.596 4.862 1.693 1.00 0.00 C ATOM 1217 CZ TYR A 82 13.711 3.981 0.664 1.00 0.00 C ATOM 1218 OH TYR A 82 14.422 4.354 -0.434 1.00 0.00 O ATOM 0 H TYR A 82 9.740 3.112 2.542 1.00 0.00 H new ATOM 0 HA TYR A 82 10.947 0.743 3.576 1.00 0.00 H new ATOM 0 HB2 TYR A 82 10.916 3.666 4.522 1.00 0.00 H new ATOM 0 HB3 TYR A 82 12.149 2.487 4.922 1.00 0.00 H new ATOM 0 HD1 TYR A 82 11.935 1.372 1.883 1.00 0.00 H new ATOM 0 HD2 TYR A 82 12.737 5.149 3.686 1.00 0.00 H new ATOM 0 HE1 TYR A 82 13.260 2.073 -0.158 1.00 0.00 H new ATOM 0 HE2 TYR A 82 14.059 5.836 1.640 1.00 0.00 H new ATOM 0 HH TYR A 82 14.767 5.263 -0.307 1.00 0.00 H new ATOM 1228 N MET A 83 8.582 2.103 5.329 1.00 0.00 N ATOM 1229 CA MET A 83 7.745 1.937 6.506 1.00 0.00 C ATOM 1230 C MET A 83 6.861 0.695 6.380 1.00 0.00 C ATOM 1231 O MET A 83 6.644 -0.019 7.358 1.00 0.00 O ATOM 1232 CB MET A 83 6.865 3.176 6.685 1.00 0.00 C ATOM 1233 CG MET A 83 7.708 4.452 6.685 1.00 0.00 C ATOM 1234 SD MET A 83 7.637 5.230 8.290 1.00 0.00 S ATOM 1235 CE MET A 83 9.059 4.478 9.062 1.00 0.00 C ATOM 0 H MET A 83 8.250 2.802 4.664 1.00 0.00 H new ATOM 0 HA MET A 83 8.392 1.812 7.374 1.00 0.00 H new ATOM 0 HB2 MET A 83 6.129 3.222 5.883 1.00 0.00 H new ATOM 0 HB3 MET A 83 6.312 3.101 7.621 1.00 0.00 H new ATOM 0 HG2 MET A 83 8.741 4.215 6.432 1.00 0.00 H new ATOM 0 HG3 MET A 83 7.343 5.139 5.922 1.00 0.00 H new ATOM 0 HE1 MET A 83 8.820 4.223 10.095 1.00 0.00 H new ATOM 0 HE2 MET A 83 9.332 3.573 8.519 1.00 0.00 H new ATOM 0 HE3 MET A 83 9.895 5.178 9.045 1.00 0.00 H new ATOM 1245 N ALA A 84 6.373 0.476 5.168 1.00 0.00 N ATOM 1246 CA ALA A 84 5.517 -0.667 4.901 1.00 0.00 C ATOM 1247 C ALA A 84 6.080 -1.455 3.717 1.00 0.00 C ATOM 1248 O ALA A 84 5.770 -1.158 2.564 1.00 0.00 O ATOM 1249 CB ALA A 84 4.085 -0.186 4.653 1.00 0.00 C ATOM 0 H ALA A 84 6.554 1.071 4.360 1.00 0.00 H new ATOM 0 HA ALA A 84 5.492 -1.337 5.761 1.00 0.00 H new ATOM 0 HB1 ALA A 84 3.443 -1.044 4.453 1.00 0.00 H new ATOM 0 HB2 ALA A 84 3.721 0.342 5.534 1.00 0.00 H new ATOM 0 HB3 ALA A 84 4.070 0.486 3.795 1.00 0.00 H new ATOM 1255 N SER A 85 6.898 -2.446 4.042 1.00 0.00 N ATOM 1256 CA SER A 85 7.507 -3.279 3.019 1.00 0.00 C ATOM 1257 C SER A 85 6.489 -4.294 2.495 1.00 0.00 C ATOM 1258 O SER A 85 6.531 -4.675 1.327 1.00 0.00 O ATOM 1259 CB SER A 85 8.744 -4.000 3.560 1.00 0.00 C ATOM 1260 OG SER A 85 8.412 -4.936 4.582 1.00 0.00 O ATOM 0 H SER A 85 7.153 -2.690 4.999 1.00 0.00 H new ATOM 0 HA SER A 85 7.824 -2.635 2.199 1.00 0.00 H new ATOM 0 HB2 SER A 85 9.248 -4.518 2.744 1.00 0.00 H new ATOM 0 HB3 SER A 85 9.447 -3.267 3.955 1.00 0.00 H new ATOM 0 HG SER A 85 9.096 -5.637 4.618 1.00 0.00 H new ATOM 1266 N THR A 86 5.596 -4.702 3.386 1.00 0.00 N ATOM 1267 CA THR A 86 4.568 -5.665 3.028 1.00 0.00 C ATOM 1268 C THR A 86 3.355 -4.951 2.428 1.00 0.00 C ATOM 1269 O THR A 86 3.042 -3.825 2.808 1.00 0.00 O ATOM 1270 CB THR A 86 4.235 -6.486 4.275 1.00 0.00 C ATOM 1271 OG1 THR A 86 4.131 -5.515 5.312 1.00 0.00 O ATOM 1272 CG2 THR A 86 5.397 -7.379 4.716 1.00 0.00 C ATOM 0 H THR A 86 5.563 -4.383 4.354 1.00 0.00 H new ATOM 0 HA THR A 86 4.918 -6.349 2.255 1.00 0.00 H new ATOM 0 HB THR A 86 3.357 -7.102 4.080 1.00 0.00 H new ATOM 0 HG1 THR A 86 3.915 -5.961 6.157 1.00 0.00 H new ATOM 0 HG21 THR A 86 5.108 -7.940 5.605 1.00 0.00 H new ATOM 0 HG22 THR A 86 5.647 -8.074 3.914 1.00 0.00 H new ATOM 0 HG23 THR A 86 6.265 -6.760 4.944 1.00 0.00 H new ATOM 1280 N PHE A 87 2.705 -5.638 1.499 1.00 0.00 N ATOM 1281 CA PHE A 87 1.533 -5.084 0.843 1.00 0.00 C ATOM 1282 C PHE A 87 0.456 -4.713 1.864 1.00 0.00 C ATOM 1283 O PHE A 87 0.016 -3.566 1.919 1.00 0.00 O ATOM 1284 CB PHE A 87 0.986 -6.170 -0.086 1.00 0.00 C ATOM 1285 CG PHE A 87 0.001 -5.652 -1.136 1.00 0.00 C ATOM 1286 CD1 PHE A 87 0.432 -4.821 -2.123 1.00 0.00 C ATOM 1287 CD2 PHE A 87 -1.307 -6.022 -1.082 1.00 0.00 C ATOM 1288 CE1 PHE A 87 -0.482 -4.341 -3.097 1.00 0.00 C ATOM 1289 CE2 PHE A 87 -2.222 -5.542 -2.056 1.00 0.00 C ATOM 1290 CZ PHE A 87 -1.790 -4.711 -3.043 1.00 0.00 C ATOM 0 H PHE A 87 2.968 -6.572 1.186 1.00 0.00 H new ATOM 0 HA PHE A 87 1.804 -4.180 0.298 1.00 0.00 H new ATOM 0 HB2 PHE A 87 1.821 -6.654 -0.593 1.00 0.00 H new ATOM 0 HB3 PHE A 87 0.492 -6.933 0.515 1.00 0.00 H new ATOM 0 HD1 PHE A 87 1.470 -4.526 -2.165 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -1.650 -6.681 -0.298 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -0.139 -3.682 -3.881 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -3.260 -5.836 -2.013 1.00 0.00 H new ATOM 0 HZ PHE A 87 -2.486 -4.345 -3.784 1.00 0.00 H new ATOM 1300 N GLY A 88 0.063 -5.706 2.649 1.00 0.00 N ATOM 1301 CA GLY A 88 -0.954 -5.499 3.666 1.00 0.00 C ATOM 1302 C GLY A 88 -0.741 -4.168 4.390 1.00 0.00 C ATOM 1303 O GLY A 88 -1.615 -3.302 4.375 1.00 0.00 O ATOM 0 H GLY A 88 0.431 -6.656 2.601 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -1.942 -5.513 3.206 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -0.926 -6.317 4.386 1.00 0.00 H new ATOM 1307 N ASP A 89 0.425 -4.047 5.008 1.00 0.00 N ATOM 1308 CA ASP A 89 0.763 -2.837 5.737 1.00 0.00 C ATOM 1309 C ASP A 89 0.706 -1.640 4.786 1.00 0.00 C ATOM 1310 O ASP A 89 0.070 -0.632 5.088 1.00 0.00 O ATOM 1311 CB ASP A 89 2.179 -2.917 6.311 1.00 0.00 C ATOM 1312 CG ASP A 89 2.367 -2.238 7.668 1.00 0.00 C ATOM 1313 OD1 ASP A 89 1.362 -1.692 8.174 1.00 0.00 O ATOM 1314 OD2 ASP A 89 3.511 -2.278 8.170 1.00 0.00 O ATOM 0 H ASP A 89 1.147 -4.767 5.019 1.00 0.00 H new ATOM 0 HA ASP A 89 0.049 -2.725 6.553 1.00 0.00 H new ATOM 0 HB2 ASP A 89 2.458 -3.967 6.405 1.00 0.00 H new ATOM 0 HB3 ASP A 89 2.870 -2.467 5.598 1.00 0.00 H new ATOM 1319 N PHE A 90 1.379 -1.792 3.655 1.00 0.00 N ATOM 1320 CA PHE A 90 1.412 -0.736 2.657 1.00 0.00 C ATOM 1321 C PHE A 90 -0.002 -0.272 2.302 1.00 0.00 C ATOM 1322 O PHE A 90 -0.348 0.890 2.509 1.00 0.00 O ATOM 1323 CB PHE A 90 2.073 -1.322 1.407 1.00 0.00 C ATOM 1324 CG PHE A 90 2.273 -0.311 0.277 1.00 0.00 C ATOM 1325 CD1 PHE A 90 3.348 0.522 0.292 1.00 0.00 C ATOM 1326 CD2 PHE A 90 1.377 -0.245 -0.744 1.00 0.00 C ATOM 1327 CE1 PHE A 90 3.535 1.460 -0.757 1.00 0.00 C ATOM 1328 CE2 PHE A 90 1.563 0.693 -1.793 1.00 0.00 C ATOM 1329 CZ PHE A 90 2.638 1.526 -1.778 1.00 0.00 C ATOM 0 H PHE A 90 1.905 -2.630 3.407 1.00 0.00 H new ATOM 0 HA PHE A 90 1.961 0.123 3.043 1.00 0.00 H new ATOM 0 HB2 PHE A 90 3.041 -1.740 1.683 1.00 0.00 H new ATOM 0 HB3 PHE A 90 1.463 -2.147 1.039 1.00 0.00 H new ATOM 0 HD1 PHE A 90 4.060 0.470 1.103 1.00 0.00 H new ATOM 0 HD2 PHE A 90 0.523 -0.907 -0.757 1.00 0.00 H new ATOM 0 HE1 PHE A 90 4.389 2.121 -0.745 1.00 0.00 H new ATOM 0 HE2 PHE A 90 0.851 0.745 -2.603 1.00 0.00 H new ATOM 0 HZ PHE A 90 2.780 2.240 -2.576 1.00 0.00 H new ATOM 1339 N ILE A 91 -0.780 -1.204 1.773 1.00 0.00 N ATOM 1340 CA ILE A 91 -2.149 -0.905 1.387 1.00 0.00 C ATOM 1341 C ILE A 91 -2.785 0.004 2.441 1.00 0.00 C ATOM 1342 O ILE A 91 -3.300 1.072 2.115 1.00 0.00 O ATOM 1343 CB ILE A 91 -2.930 -2.197 1.138 1.00 0.00 C ATOM 1344 CG1 ILE A 91 -2.495 -2.857 -0.172 1.00 0.00 C ATOM 1345 CG2 ILE A 91 -4.438 -1.943 1.178 1.00 0.00 C ATOM 1346 CD1 ILE A 91 -2.834 -1.971 -1.372 1.00 0.00 C ATOM 0 H ILE A 91 -0.489 -2.167 1.602 1.00 0.00 H new ATOM 0 HA ILE A 91 -2.168 -0.361 0.443 1.00 0.00 H new ATOM 0 HB ILE A 91 -2.700 -2.895 1.943 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -1.422 -3.048 -0.148 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -2.989 -3.823 -0.278 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -4.969 -2.878 0.998 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -4.715 -1.551 2.156 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -4.706 -1.219 0.408 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -2.514 -2.464 -2.290 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -3.910 -1.802 -1.407 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -2.320 -1.015 -1.275 1.00 0.00 H new ATOM 1358 N GLN A 92 -2.727 -0.453 3.683 1.00 0.00 N ATOM 1359 CA GLN A 92 -3.291 0.305 4.786 1.00 0.00 C ATOM 1360 C GLN A 92 -2.816 1.759 4.728 1.00 0.00 C ATOM 1361 O GLN A 92 -3.620 2.683 4.848 1.00 0.00 O ATOM 1362 CB GLN A 92 -2.934 -0.334 6.130 1.00 0.00 C ATOM 1363 CG GLN A 92 -3.792 -1.574 6.392 1.00 0.00 C ATOM 1364 CD GLN A 92 -5.282 -1.227 6.361 1.00 0.00 C ATOM 1365 OE1 GLN A 92 -5.691 -0.112 6.640 1.00 0.00 O ATOM 1366 NE2 GLN A 92 -6.066 -2.241 6.007 1.00 0.00 N ATOM 0 H GLN A 92 -2.298 -1.339 3.950 1.00 0.00 H new ATOM 0 HA GLN A 92 -4.377 0.293 4.692 1.00 0.00 H new ATOM 0 HB2 GLN A 92 -1.879 -0.609 6.137 1.00 0.00 H new ATOM 0 HB3 GLN A 92 -3.080 0.390 6.931 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -3.577 -2.335 5.642 1.00 0.00 H new ATOM 0 HG3 GLN A 92 -3.534 -2.001 7.361 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -5.657 -3.149 5.786 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -7.076 -2.111 5.956 1.00 0.00 H new ATOM 1375 N LEU A 93 -1.514 1.916 4.544 1.00 0.00 N ATOM 1376 CA LEU A 93 -0.923 3.241 4.469 1.00 0.00 C ATOM 1377 C LEU A 93 -1.471 3.970 3.240 1.00 0.00 C ATOM 1378 O LEU A 93 -1.854 5.136 3.325 1.00 0.00 O ATOM 1379 CB LEU A 93 0.604 3.150 4.499 1.00 0.00 C ATOM 1380 CG LEU A 93 1.355 4.186 3.660 1.00 0.00 C ATOM 1381 CD1 LEU A 93 2.599 4.689 4.395 1.00 0.00 C ATOM 1382 CD2 LEU A 93 1.692 3.631 2.275 1.00 0.00 C ATOM 0 H LEU A 93 -0.851 1.147 4.445 1.00 0.00 H new ATOM 0 HA LEU A 93 -1.201 3.832 5.342 1.00 0.00 H new ATOM 0 HB2 LEU A 93 0.933 3.242 5.534 1.00 0.00 H new ATOM 0 HB3 LEU A 93 0.896 2.156 4.159 1.00 0.00 H new ATOM 0 HG LEU A 93 0.700 5.044 3.511 1.00 0.00 H new ATOM 0 HD11 LEU A 93 3.114 5.424 3.777 1.00 0.00 H new ATOM 0 HD12 LEU A 93 2.303 5.150 5.337 1.00 0.00 H new ATOM 0 HD13 LEU A 93 3.267 3.851 4.595 1.00 0.00 H new ATOM 0 HD21 LEU A 93 2.225 4.388 1.700 1.00 0.00 H new ATOM 0 HD22 LEU A 93 2.320 2.746 2.380 1.00 0.00 H new ATOM 0 HD23 LEU A 93 0.771 3.363 1.756 1.00 0.00 H new ATOM 1394 N LEU A 94 -1.492 3.253 2.127 1.00 0.00 N ATOM 1395 CA LEU A 94 -1.987 3.816 0.882 1.00 0.00 C ATOM 1396 C LEU A 94 -3.441 4.256 1.070 1.00 0.00 C ATOM 1397 O LEU A 94 -3.772 5.422 0.865 1.00 0.00 O ATOM 1398 CB LEU A 94 -1.786 2.831 -0.270 1.00 0.00 C ATOM 1399 CG LEU A 94 -2.744 2.979 -1.454 1.00 0.00 C ATOM 1400 CD1 LEU A 94 -2.299 4.112 -2.381 1.00 0.00 C ATOM 1401 CD2 LEU A 94 -2.898 1.654 -2.204 1.00 0.00 C ATOM 0 H LEU A 94 -1.174 2.286 2.061 1.00 0.00 H new ATOM 0 HA LEU A 94 -1.416 4.705 0.612 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -0.766 2.937 -0.638 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -1.880 1.819 0.123 1.00 0.00 H new ATOM 0 HG LEU A 94 -3.727 3.246 -1.066 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -2.997 4.196 -3.214 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -2.282 5.050 -1.826 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -1.301 3.898 -2.764 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -3.584 1.787 -3.041 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -1.926 1.333 -2.579 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -3.294 0.897 -1.527 1.00 0.00 H new ATOM 1413 N VAL A 95 -4.270 3.297 1.457 1.00 0.00 N ATOM 1414 CA VAL A 95 -5.681 3.570 1.674 1.00 0.00 C ATOM 1415 C VAL A 95 -5.827 4.848 2.502 1.00 0.00 C ATOM 1416 O VAL A 95 -6.755 5.627 2.291 1.00 0.00 O ATOM 1417 CB VAL A 95 -6.355 2.358 2.320 1.00 0.00 C ATOM 1418 CG1 VAL A 95 -7.796 2.682 2.721 1.00 0.00 C ATOM 1419 CG2 VAL A 95 -6.304 1.143 1.392 1.00 0.00 C ATOM 0 H VAL A 95 -3.992 2.330 1.626 1.00 0.00 H new ATOM 0 HA VAL A 95 -6.188 3.739 0.724 1.00 0.00 H new ATOM 0 HB VAL A 95 -5.802 2.110 3.226 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -8.253 1.804 3.178 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -7.799 3.505 3.435 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -8.364 2.968 1.836 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -6.790 0.295 1.875 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -6.821 1.375 0.461 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -5.265 0.892 1.178 1.00 0.00 H new ATOM 1429 N ARG A 96 -4.895 5.024 3.428 1.00 0.00 N ATOM 1430 CA ARG A 96 -4.909 6.194 4.290 1.00 0.00 C ATOM 1431 C ARG A 96 -4.670 7.462 3.467 1.00 0.00 C ATOM 1432 O ARG A 96 -5.424 8.428 3.575 1.00 0.00 O ATOM 1433 CB ARG A 96 -3.837 6.090 5.377 1.00 0.00 C ATOM 1434 CG ARG A 96 -4.472 5.971 6.764 1.00 0.00 C ATOM 1435 CD ARG A 96 -3.405 5.750 7.838 1.00 0.00 C ATOM 1436 NE ARG A 96 -3.935 6.137 9.164 1.00 0.00 N ATOM 1437 CZ ARG A 96 -4.242 7.394 9.513 1.00 0.00 C ATOM 1438 NH1 ARG A 96 -4.074 8.393 8.636 1.00 0.00 N ATOM 1439 NH2 ARG A 96 -4.717 7.652 10.739 1.00 0.00 N ATOM 0 H ARG A 96 -4.126 4.376 3.600 1.00 0.00 H new ATOM 0 HA ARG A 96 -5.889 6.244 4.765 1.00 0.00 H new ATOM 0 HB2 ARG A 96 -3.204 5.223 5.187 1.00 0.00 H new ATOM 0 HB3 ARG A 96 -3.192 6.968 5.342 1.00 0.00 H new ATOM 0 HG2 ARG A 96 -5.037 6.876 6.988 1.00 0.00 H new ATOM 0 HG3 ARG A 96 -5.180 5.142 6.774 1.00 0.00 H new ATOM 0 HD2 ARG A 96 -3.101 4.703 7.850 1.00 0.00 H new ATOM 0 HD3 ARG A 96 -2.517 6.338 7.606 1.00 0.00 H new ATOM 0 HE ARG A 96 -4.076 5.401 9.856 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -3.712 8.197 7.703 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -4.308 9.350 8.902 1.00 0.00 H new ATOM 0 HH21 ARG A 96 -4.845 6.892 11.407 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -4.951 8.609 11.005 1.00 0.00 H new ATOM 1453 N LYS A 97 -3.618 7.418 2.663 1.00 0.00 N ATOM 1454 CA LYS A 97 -3.270 8.551 1.823 1.00 0.00 C ATOM 1455 C LYS A 97 -4.391 8.793 0.810 1.00 0.00 C ATOM 1456 O LYS A 97 -4.665 9.934 0.442 1.00 0.00 O ATOM 1457 CB LYS A 97 -1.897 8.341 1.181 1.00 0.00 C ATOM 1458 CG LYS A 97 -0.799 8.273 2.245 1.00 0.00 C ATOM 1459 CD LYS A 97 0.224 7.187 1.908 1.00 0.00 C ATOM 1460 CE LYS A 97 1.414 7.238 2.868 1.00 0.00 C ATOM 1461 NZ LYS A 97 2.241 8.436 2.606 1.00 0.00 N ATOM 0 H LYS A 97 -2.995 6.615 2.576 1.00 0.00 H new ATOM 0 HA LYS A 97 -3.181 9.456 2.423 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -1.901 7.420 0.598 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -1.687 9.156 0.488 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -0.299 9.239 2.319 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -1.244 8.069 3.219 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -0.250 6.207 1.962 1.00 0.00 H new ATOM 0 HD3 LYS A 97 0.573 7.316 0.883 1.00 0.00 H new ATOM 0 HE2 LYS A 97 1.057 7.253 3.898 1.00 0.00 H new ATOM 0 HE3 LYS A 97 2.020 6.339 2.754 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 2.811 8.655 3.448 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 2.871 8.253 1.799 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 1.623 9.243 2.386 1.00 0.00 H new ATOM 1475 N LEU A 98 -5.010 7.699 0.389 1.00 0.00 N ATOM 1476 CA LEU A 98 -6.096 7.778 -0.574 1.00 0.00 C ATOM 1477 C LEU A 98 -7.299 8.464 0.076 1.00 0.00 C ATOM 1478 O LEU A 98 -7.765 9.495 -0.406 1.00 0.00 O ATOM 1479 CB LEU A 98 -6.410 6.392 -1.141 1.00 0.00 C ATOM 1480 CG LEU A 98 -5.311 5.749 -1.989 1.00 0.00 C ATOM 1481 CD1 LEU A 98 -5.807 4.457 -2.641 1.00 0.00 C ATOM 1482 CD2 LEU A 98 -4.766 6.739 -3.021 1.00 0.00 C ATOM 0 H LEU A 98 -4.780 6.754 0.697 1.00 0.00 H new ATOM 0 HA LEU A 98 -5.804 8.388 -1.429 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -6.637 5.724 -0.310 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -7.313 6.465 -1.747 1.00 0.00 H new ATOM 0 HG LEU A 98 -4.484 5.481 -1.331 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -5.007 4.020 -3.238 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -6.109 3.751 -1.867 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -6.660 4.678 -3.283 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -3.986 6.257 -3.611 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -5.573 7.059 -3.680 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -4.350 7.606 -2.509 1.00 0.00 H new ATOM 1494 N ARG A 99 -7.768 7.864 1.160 1.00 0.00 N ATOM 1495 CA ARG A 99 -8.908 8.404 1.881 1.00 0.00 C ATOM 1496 C ARG A 99 -8.677 9.880 2.211 1.00 0.00 C ATOM 1497 O ARG A 99 -9.585 10.699 2.079 1.00 0.00 O ATOM 1498 CB ARG A 99 -9.156 7.632 3.178 1.00 0.00 C ATOM 1499 CG ARG A 99 -9.877 6.311 2.900 1.00 0.00 C ATOM 1500 CD ARG A 99 -10.245 5.602 4.205 1.00 0.00 C ATOM 1501 NE ARG A 99 -10.731 4.234 3.919 1.00 0.00 N ATOM 1502 CZ ARG A 99 -11.508 3.524 4.748 1.00 0.00 C ATOM 1503 NH1 ARG A 99 -11.890 4.047 5.921 1.00 0.00 N ATOM 1504 NH2 ARG A 99 -11.901 2.290 4.405 1.00 0.00 N ATOM 0 H ARG A 99 -7.379 7.009 1.557 1.00 0.00 H new ATOM 0 HA ARG A 99 -9.783 8.304 1.239 1.00 0.00 H new ATOM 0 HB2 ARG A 99 -8.206 7.435 3.675 1.00 0.00 H new ATOM 0 HB3 ARG A 99 -9.752 8.240 3.859 1.00 0.00 H new ATOM 0 HG2 ARG A 99 -10.779 6.500 2.318 1.00 0.00 H new ATOM 0 HG3 ARG A 99 -9.239 5.664 2.298 1.00 0.00 H new ATOM 0 HD2 ARG A 99 -9.376 5.558 4.862 1.00 0.00 H new ATOM 0 HD3 ARG A 99 -11.014 6.167 4.731 1.00 0.00 H new ATOM 0 HE ARG A 99 -10.457 3.805 3.035 1.00 0.00 H new ATOM 0 HH11 ARG A 99 -11.589 4.986 6.183 1.00 0.00 H new ATOM 0 HH12 ARG A 99 -12.482 3.506 6.552 1.00 0.00 H new ATOM 0 HH21 ARG A 99 -11.609 1.891 3.513 1.00 0.00 H new ATOM 0 HH22 ARG A 99 -12.493 1.749 5.036 1.00 0.00 H new ATOM 1518 N GLY A 100 -7.456 10.175 2.633 1.00 0.00 N ATOM 1519 CA GLY A 100 -7.093 11.538 2.983 1.00 0.00 C ATOM 1520 C GLY A 100 -7.296 12.481 1.795 1.00 0.00 C ATOM 1521 O GLY A 100 -8.360 13.082 1.649 1.00 0.00 O ATOM 0 H GLY A 100 -6.705 9.493 2.740 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -7.697 11.874 3.826 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -6.052 11.570 3.304 1.00 0.00 H new ATOM 1525 N ASP A 101 -6.259 12.582 0.976 1.00 0.00 N ATOM 1526 CA ASP A 101 -6.310 13.441 -0.194 1.00 0.00 C ATOM 1527 C ASP A 101 -6.031 14.886 0.227 1.00 0.00 C ATOM 1528 O ASP A 101 -6.241 15.250 1.383 1.00 0.00 O ATOM 1529 CB ASP A 101 -7.692 13.398 -0.849 1.00 0.00 C ATOM 1530 CG ASP A 101 -7.711 13.743 -2.340 1.00 0.00 C ATOM 1531 OD1 ASP A 101 -7.333 12.855 -3.133 1.00 0.00 O ATOM 1532 OD2 ASP A 101 -8.105 14.888 -2.652 1.00 0.00 O ATOM 0 H ASP A 101 -5.378 12.083 1.100 1.00 0.00 H new ATOM 0 HA ASP A 101 -5.563 13.088 -0.905 1.00 0.00 H new ATOM 0 HB2 ASP A 101 -8.109 12.400 -0.717 1.00 0.00 H new ATOM 0 HB3 ASP A 101 -8.349 14.090 -0.323 1.00 0.00 H new ATOM 1537 N ASP A 102 -5.562 15.668 -0.734 1.00 0.00 N ATOM 1538 CA ASP A 102 -5.252 17.064 -0.477 1.00 0.00 C ATOM 1539 C ASP A 102 -6.505 17.911 -0.711 1.00 0.00 C ATOM 1540 O ASP A 102 -7.090 17.874 -1.792 1.00 0.00 O ATOM 1541 CB ASP A 102 -4.158 17.568 -1.420 1.00 0.00 C ATOM 1542 CG ASP A 102 -4.277 17.084 -2.866 1.00 0.00 C ATOM 1543 OD1 ASP A 102 -5.394 17.204 -3.415 1.00 0.00 O ATOM 1544 OD2 ASP A 102 -3.249 16.605 -3.391 1.00 0.00 O ATOM 0 H ASP A 102 -5.389 15.362 -1.691 1.00 0.00 H new ATOM 0 HA ASP A 102 -4.907 17.149 0.553 1.00 0.00 H new ATOM 0 HB2 ASP A 102 -4.169 18.658 -1.416 1.00 0.00 H new ATOM 0 HB3 ASP A 102 -3.190 17.258 -1.027 1.00 0.00 H new ATOM 1549 N GLU A 103 -6.879 18.655 0.320 1.00 0.00 N ATOM 1550 CA GLU A 103 -8.051 19.510 0.240 1.00 0.00 C ATOM 1551 C GLU A 103 -7.763 20.867 0.886 1.00 0.00 C ATOM 1552 O GLU A 103 -7.821 21.900 0.221 1.00 0.00 O ATOM 1553 CB GLU A 103 -9.264 18.840 0.888 1.00 0.00 C ATOM 1554 CG GLU A 103 -10.045 18.013 -0.135 1.00 0.00 C ATOM 1555 CD GLU A 103 -11.410 17.601 0.419 1.00 0.00 C ATOM 1556 OE1 GLU A 103 -12.317 18.460 0.390 1.00 0.00 O ATOM 1557 OE2 GLU A 103 -11.515 16.436 0.861 1.00 0.00 O ATOM 0 H GLU A 103 -6.391 18.683 1.215 1.00 0.00 H new ATOM 0 HA GLU A 103 -8.287 19.673 -0.812 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -8.936 18.198 1.706 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -9.915 19.599 1.321 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -10.179 18.591 -1.049 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -9.473 17.124 -0.402 1.00 0.00 H new ATOM 1564 N GLU A 104 -7.460 20.820 2.175 1.00 0.00 N ATOM 1565 CA GLU A 104 -7.164 22.032 2.919 1.00 0.00 C ATOM 1566 C GLU A 104 -6.794 21.691 4.364 1.00 0.00 C ATOM 1567 O GLU A 104 -7.588 21.089 5.086 1.00 0.00 O ATOM 1568 CB GLU A 104 -8.342 23.007 2.870 1.00 0.00 C ATOM 1569 CG GLU A 104 -9.571 22.418 3.565 1.00 0.00 C ATOM 1570 CD GLU A 104 -10.841 22.687 2.755 1.00 0.00 C ATOM 1571 OE1 GLU A 104 -11.448 23.754 2.989 1.00 0.00 O ATOM 1572 OE2 GLU A 104 -11.175 21.819 1.920 1.00 0.00 O ATOM 0 H GLU A 104 -7.413 19.961 2.723 1.00 0.00 H new ATOM 0 HA GLU A 104 -6.310 22.522 2.452 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -8.063 23.945 3.350 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -8.583 23.240 1.833 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -9.439 21.344 3.696 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -9.672 22.850 4.561 1.00 0.00 H new ATOM 1579 N SER A 105 -5.590 22.091 4.743 1.00 0.00 N ATOM 1580 CA SER A 105 -5.105 21.836 6.089 1.00 0.00 C ATOM 1581 C SER A 105 -3.723 22.465 6.276 1.00 0.00 C ATOM 1582 O SER A 105 -2.761 22.063 5.624 1.00 0.00 O ATOM 1583 CB SER A 105 -5.048 20.334 6.378 1.00 0.00 C ATOM 1584 OG SER A 105 -3.942 19.708 5.735 1.00 0.00 O ATOM 0 H SER A 105 -4.935 22.590 4.141 1.00 0.00 H new ATOM 0 HA SER A 105 -5.801 22.289 6.795 1.00 0.00 H new ATOM 0 HB2 SER A 105 -4.979 20.174 7.454 1.00 0.00 H new ATOM 0 HB3 SER A 105 -5.974 19.865 6.045 1.00 0.00 H new ATOM 0 HG SER A 105 -3.347 20.394 5.366 1.00 0.00 H new ATOM 1590 N GLY A 106 -3.669 23.442 7.170 1.00 0.00 N ATOM 1591 CA GLY A 106 -2.421 24.130 7.451 1.00 0.00 C ATOM 1592 C GLY A 106 -1.671 24.455 6.158 1.00 0.00 C ATOM 1593 O GLY A 106 -2.116 25.289 5.371 1.00 0.00 O ATOM 0 H GLY A 106 -4.469 23.773 7.709 1.00 0.00 H new ATOM 0 HA2 GLY A 106 -2.624 25.050 7.999 1.00 0.00 H new ATOM 0 HA3 GLY A 106 -1.796 23.509 8.092 1.00 0.00 H new ATOM 1597 N PRO A 107 -0.515 23.762 5.974 1.00 0.00 N ATOM 1598 CA PRO A 107 0.301 23.969 4.790 1.00 0.00 C ATOM 1599 C PRO A 107 -0.332 23.306 3.565 1.00 0.00 C ATOM 1600 O PRO A 107 -0.118 22.120 3.316 1.00 0.00 O ATOM 1601 CB PRO A 107 1.661 23.388 5.143 1.00 0.00 C ATOM 1602 CG PRO A 107 1.425 22.467 6.329 1.00 0.00 C ATOM 1603 CD PRO A 107 0.043 22.767 6.885 1.00 0.00 C ATOM 0 HA PRO A 107 0.390 25.021 4.519 1.00 0.00 H new ATOM 0 HB2 PRO A 107 2.082 22.840 4.300 1.00 0.00 H new ATOM 0 HB3 PRO A 107 2.369 24.177 5.396 1.00 0.00 H new ATOM 0 HG2 PRO A 107 1.494 21.424 6.022 1.00 0.00 H new ATOM 0 HG3 PRO A 107 2.186 22.626 7.093 1.00 0.00 H new ATOM 0 HD2 PRO A 107 -0.574 21.869 6.917 1.00 0.00 H new ATOM 0 HD3 PRO A 107 0.101 23.151 7.904 1.00 0.00 H new ATOM 1611 N SER A 108 -1.099 24.100 2.833 1.00 0.00 N ATOM 1612 CA SER A 108 -1.765 23.605 1.640 1.00 0.00 C ATOM 1613 C SER A 108 -0.739 23.358 0.532 1.00 0.00 C ATOM 1614 O SER A 108 -0.599 22.236 0.049 1.00 0.00 O ATOM 1615 CB SER A 108 -2.838 24.584 1.161 1.00 0.00 C ATOM 1616 OG SER A 108 -4.070 23.928 0.874 1.00 0.00 O ATOM 0 H SER A 108 -1.274 25.083 3.043 1.00 0.00 H new ATOM 0 HA SER A 108 -2.256 22.664 1.889 1.00 0.00 H new ATOM 0 HB2 SER A 108 -3.002 25.344 1.925 1.00 0.00 H new ATOM 0 HB3 SER A 108 -2.485 25.100 0.268 1.00 0.00 H new ATOM 0 HG SER A 108 -4.729 24.588 0.573 1.00 0.00 H new ATOM 1622 N SER A 109 -0.048 24.426 0.161 1.00 0.00 N ATOM 1623 CA SER A 109 0.961 24.340 -0.881 1.00 0.00 C ATOM 1624 C SER A 109 0.324 23.867 -2.188 1.00 0.00 C ATOM 1625 O SER A 109 0.020 22.685 -2.343 1.00 0.00 O ATOM 1626 CB SER A 109 2.096 23.399 -0.472 1.00 0.00 C ATOM 1627 OG SER A 109 3.296 23.665 -1.193 1.00 0.00 O ATOM 0 H SER A 109 -0.167 25.356 0.564 1.00 0.00 H new ATOM 0 HA SER A 109 1.385 25.333 -1.030 1.00 0.00 H new ATOM 0 HB2 SER A 109 2.285 23.502 0.597 1.00 0.00 H new ATOM 0 HB3 SER A 109 1.791 22.367 -0.644 1.00 0.00 H new ATOM 0 HG SER A 109 3.997 23.045 -0.902 1.00 0.00 H new ATOM 1633 N GLY A 110 0.141 24.814 -3.097 1.00 0.00 N ATOM 1634 CA GLY A 110 -0.455 24.509 -4.386 1.00 0.00 C ATOM 1635 C GLY A 110 -1.812 25.198 -4.540 1.00 0.00 C ATOM 1636 O GLY A 110 -1.894 26.425 -4.526 1.00 0.00 O ATOM 0 H GLY A 110 0.395 25.793 -2.966 1.00 0.00 H new ATOM 0 HA2 GLY A 110 0.213 24.831 -5.185 1.00 0.00 H new ATOM 0 HA3 GLY A 110 -0.577 23.431 -4.488 1.00 0.00 H new TER 1640 GLY A 110