USER MOD reduce.3.24.130724 H: found=0, std=0, add=728, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 726 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 59 MET CE :methyl -147:sc= -0.517 (180deg=-1.63) USER MOD Set 1.2: A 80 THR OG1 : rot 92:sc= 0.0904 USER MOD Set 2.1: A 60 SER OG : rot -95:sc= 1.12 USER MOD Set 2.2: A 62 ASN : amide:sc= 0.664 K(o=1.8,f=-4.8) USER MOD Set 3.1: A 14 THR OG1 : rot 180:sc= 1.04 USER MOD Set 3.2: A 40 SER OG : rot 93:sc= 1.2 USER MOD Set 4.1: A 7 GLN : amide:sc= -3.91! C(o=-10!,f=-10!) USER MOD Set 4.2: A 10 GLN : amide:sc= -1.92! C(o=-10!,f=-9.8!) USER MOD Set 4.3: A 11 TYR OH : rot 30:sc= -4.18! USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0.0224 USER MOD Single : A 9 SER OG : rot 16:sc= -1.32! USER MOD Single : A 12 ASN : amide:sc= -2.89! C(o=-2.9!,f=-3.4!) USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 163:sc= -5.5! (180deg=-7.09!) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot 8:sc= 0.493! USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 38 TYR OH : rot 159:sc= -1.27 USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 46 MET CE :methyl -141:sc= -4.09! (180deg=-9.65!) USER MOD Single : A 50 LYS NZ :NH3+ -125:sc= 0.711 (180deg=-0.18) USER MOD Single : A 53 SER OG : rot 180:sc= -1.52 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 SER OG : rot 120:sc= 0.766 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 74 THR OG1 : rot 180:sc= -0.237! USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 ASN : amide:sc= -0.0842 X(o=-0.084,f=-0.14) USER MOD Single : A 82 ASN : amide:sc= -1.5! X(o=-1.5!,f=-1.3) USER MOD Single : A 86 THR OG1 : rot -4:sc= 1.03 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 8 N PRO A 0 -8.552 -12.321 -7.499 1.00 0.00 N ATOM 9 CA PRO A 0 -9.316 -11.798 -6.379 1.00 0.00 C ATOM 10 C PRO A 0 -10.271 -10.693 -6.834 1.00 0.00 C ATOM 11 O PRO A 0 -10.568 -10.575 -8.022 1.00 0.00 O ATOM 12 CB PRO A 0 -8.274 -11.310 -5.386 1.00 0.00 C ATOM 13 CG PRO A 0 -6.986 -11.151 -6.177 1.00 0.00 C ATOM 14 CD PRO A 0 -7.167 -11.861 -7.509 1.00 0.00 C ATOM 0 H2 PRO A 0 -9.003 -12.044 -8.371 1.00 0.00 H new ATOM 0 H3 PRO A 0 -8.566 -13.340 -7.467 1.00 0.00 H new ATOM 0 HA PRO A 0 -9.961 -12.549 -5.923 1.00 0.00 H new ATOM 0 HB2 PRO A 0 -8.576 -10.364 -4.937 1.00 0.00 H new ATOM 0 HB3 PRO A 0 -8.147 -12.023 -4.572 1.00 0.00 H new ATOM 0 HG2 PRO A 0 -6.762 -10.096 -6.334 1.00 0.00 H new ATOM 0 HG3 PRO A 0 -6.146 -11.577 -5.628 1.00 0.00 H new ATOM 0 HD2 PRO A 0 -6.980 -11.188 -8.345 1.00 0.00 H new ATOM 0 HD3 PRO A 0 -6.473 -12.696 -7.610 1.00 0.00 H new ATOM 22 N MET A 1 -10.726 -9.911 -5.866 1.00 0.00 N ATOM 23 CA MET A 1 -11.641 -8.820 -6.153 1.00 0.00 C ATOM 24 C MET A 1 -10.938 -7.705 -6.931 1.00 0.00 C ATOM 25 O MET A 1 -11.538 -7.078 -7.803 1.00 0.00 O ATOM 26 CB MET A 1 -12.192 -8.258 -4.841 1.00 0.00 C ATOM 27 CG MET A 1 -13.345 -9.118 -4.318 1.00 0.00 C ATOM 28 SD MET A 1 -14.025 -8.390 -2.837 1.00 0.00 S ATOM 29 CE MET A 1 -13.707 -9.704 -1.671 1.00 0.00 C ATOM 0 H MET A 1 -10.478 -10.012 -4.882 1.00 0.00 H new ATOM 0 HA MET A 1 -12.457 -9.206 -6.765 1.00 0.00 H new ATOM 0 HB2 MET A 1 -11.397 -8.217 -4.096 1.00 0.00 H new ATOM 0 HB3 MET A 1 -12.537 -7.236 -4.995 1.00 0.00 H new ATOM 0 HG2 MET A 1 -14.120 -9.204 -5.080 1.00 0.00 H new ATOM 0 HG3 MET A 1 -12.991 -10.127 -4.108 1.00 0.00 H new ATOM 0 HE1 MET A 1 -14.072 -9.413 -0.686 1.00 0.00 H new ATOM 0 HE2 MET A 1 -14.220 -10.610 -1.995 1.00 0.00 H new ATOM 0 HE3 MET A 1 -12.635 -9.893 -1.619 1.00 0.00 H new ATOM 39 N GLU A 2 -9.677 -7.492 -6.587 1.00 0.00 N ATOM 40 CA GLU A 2 -8.886 -6.464 -7.242 1.00 0.00 C ATOM 41 C GLU A 2 -9.538 -5.092 -7.055 1.00 0.00 C ATOM 42 O GLU A 2 -10.691 -4.893 -7.433 1.00 0.00 O ATOM 43 CB GLU A 2 -8.694 -6.782 -8.726 1.00 0.00 C ATOM 44 CG GLU A 2 -8.459 -8.278 -8.940 1.00 0.00 C ATOM 45 CD GLU A 2 -8.157 -8.581 -10.410 1.00 0.00 C ATOM 46 OE1 GLU A 2 -9.117 -8.529 -11.208 1.00 0.00 O ATOM 47 OE2 GLU A 2 -6.974 -8.858 -10.700 1.00 0.00 O ATOM 0 H GLU A 2 -9.183 -8.014 -5.863 1.00 0.00 H new ATOM 0 HA GLU A 2 -7.900 -6.442 -6.778 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -9.573 -6.465 -9.286 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -7.847 -6.218 -9.116 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -7.628 -8.612 -8.318 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -9.339 -8.837 -8.623 1.00 0.00 H new ATOM 54 N PHE A 3 -8.772 -4.183 -6.470 1.00 0.00 N ATOM 55 CA PHE A 3 -9.261 -2.836 -6.228 1.00 0.00 C ATOM 56 C PHE A 3 -8.560 -1.826 -7.139 1.00 0.00 C ATOM 57 O PHE A 3 -7.332 -1.797 -7.209 1.00 0.00 O ATOM 58 CB PHE A 3 -8.941 -2.499 -4.771 1.00 0.00 C ATOM 59 CG PHE A 3 -9.700 -3.354 -3.754 1.00 0.00 C ATOM 60 CD1 PHE A 3 -9.299 -4.630 -3.504 1.00 0.00 C ATOM 61 CD2 PHE A 3 -10.774 -2.838 -3.099 1.00 0.00 C ATOM 62 CE1 PHE A 3 -10.004 -5.423 -2.560 1.00 0.00 C ATOM 63 CE2 PHE A 3 -11.479 -3.632 -2.155 1.00 0.00 C ATOM 64 CZ PHE A 3 -11.078 -4.907 -1.905 1.00 0.00 C ATOM 0 H PHE A 3 -7.816 -4.353 -6.156 1.00 0.00 H new ATOM 0 HA PHE A 3 -10.331 -2.787 -6.431 1.00 0.00 H new ATOM 0 HB2 PHE A 3 -7.870 -2.622 -4.607 1.00 0.00 H new ATOM 0 HB3 PHE A 3 -9.172 -1.449 -4.592 1.00 0.00 H new ATOM 0 HD1 PHE A 3 -8.445 -5.040 -4.023 1.00 0.00 H new ATOM 0 HD2 PHE A 3 -11.091 -1.825 -3.296 1.00 0.00 H new ATOM 0 HE1 PHE A 3 -9.687 -6.436 -2.362 1.00 0.00 H new ATOM 0 HE2 PHE A 3 -12.333 -3.223 -1.636 1.00 0.00 H new ATOM 0 HZ PHE A 3 -11.613 -5.510 -1.186 1.00 0.00 H new ATOM 74 N THR A 4 -9.369 -1.023 -7.813 1.00 0.00 N ATOM 75 CA THR A 4 -8.842 -0.015 -8.716 1.00 0.00 C ATOM 76 C THR A 4 -8.337 1.196 -7.927 1.00 0.00 C ATOM 77 O THR A 4 -8.785 1.443 -6.809 1.00 0.00 O ATOM 78 CB THR A 4 -9.935 0.333 -9.728 1.00 0.00 C ATOM 79 OG1 THR A 4 -11.024 0.777 -8.924 1.00 0.00 O ATOM 80 CG2 THR A 4 -10.483 -0.903 -10.446 1.00 0.00 C ATOM 0 H THR A 4 -10.387 -1.050 -7.752 1.00 0.00 H new ATOM 0 HA THR A 4 -7.978 -0.390 -9.265 1.00 0.00 H new ATOM 0 HB THR A 4 -9.539 1.035 -10.462 1.00 0.00 H new ATOM 0 HG1 THR A 4 -11.777 1.025 -9.501 1.00 0.00 H new ATOM 0 HG21 THR A 4 -11.256 -0.600 -11.153 1.00 0.00 H new ATOM 0 HG22 THR A 4 -9.675 -1.400 -10.982 1.00 0.00 H new ATOM 0 HG23 THR A 4 -10.909 -1.590 -9.715 1.00 0.00 H new ATOM 88 N ALA A 5 -7.411 1.918 -8.541 1.00 0.00 N ATOM 89 CA ALA A 5 -6.841 3.096 -7.911 1.00 0.00 C ATOM 90 C ALA A 5 -7.970 4.020 -7.451 1.00 0.00 C ATOM 91 O ALA A 5 -7.805 4.783 -6.501 1.00 0.00 O ATOM 92 CB ALA A 5 -5.884 3.785 -8.886 1.00 0.00 C ATOM 0 H ALA A 5 -7.041 1.709 -9.469 1.00 0.00 H new ATOM 0 HA ALA A 5 -6.263 2.818 -7.030 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -5.457 4.669 -8.413 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -5.084 3.097 -9.158 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -6.429 4.081 -9.782 1.00 0.00 H new ATOM 98 N GLU A 6 -9.093 3.921 -8.147 1.00 0.00 N ATOM 99 CA GLU A 6 -10.249 4.739 -7.823 1.00 0.00 C ATOM 100 C GLU A 6 -10.839 4.314 -6.476 1.00 0.00 C ATOM 101 O GLU A 6 -11.111 5.154 -5.620 1.00 0.00 O ATOM 102 CB GLU A 6 -11.303 4.664 -8.930 1.00 0.00 C ATOM 103 CG GLU A 6 -11.521 6.035 -9.573 1.00 0.00 C ATOM 104 CD GLU A 6 -10.206 6.604 -10.111 1.00 0.00 C ATOM 105 OE1 GLU A 6 -9.509 5.848 -10.821 1.00 0.00 O ATOM 106 OE2 GLU A 6 -9.928 7.783 -9.800 1.00 0.00 O ATOM 0 H GLU A 6 -9.227 3.286 -8.934 1.00 0.00 H new ATOM 0 HA GLU A 6 -9.924 5.777 -7.746 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -10.988 3.948 -9.689 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -12.243 4.298 -8.518 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -12.243 5.949 -10.385 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -11.945 6.721 -8.840 1.00 0.00 H new ATOM 113 N GLN A 7 -11.019 3.009 -6.330 1.00 0.00 N ATOM 114 CA GLN A 7 -11.571 2.462 -5.103 1.00 0.00 C ATOM 115 C GLN A 7 -10.530 2.515 -3.983 1.00 0.00 C ATOM 116 O GLN A 7 -10.866 2.776 -2.829 1.00 0.00 O ATOM 117 CB GLN A 7 -12.075 1.034 -5.317 1.00 0.00 C ATOM 118 CG GLN A 7 -13.598 0.964 -5.185 1.00 0.00 C ATOM 119 CD GLN A 7 -14.033 -0.357 -4.548 1.00 0.00 C ATOM 120 OE1 GLN A 7 -13.253 -1.279 -4.374 1.00 0.00 O ATOM 121 NE2 GLN A 7 -15.319 -0.397 -4.210 1.00 0.00 N ATOM 0 H GLN A 7 -10.792 2.315 -7.042 1.00 0.00 H new ATOM 0 HA GLN A 7 -12.425 3.072 -4.808 1.00 0.00 H new ATOM 0 HB2 GLN A 7 -11.776 0.683 -6.305 1.00 0.00 H new ATOM 0 HB3 GLN A 7 -11.612 0.368 -4.588 1.00 0.00 H new ATOM 0 HG2 GLN A 7 -13.953 1.798 -4.579 1.00 0.00 H new ATOM 0 HG3 GLN A 7 -14.057 1.066 -6.168 1.00 0.00 H new ATOM 0 HE21 GLN A 7 -15.917 0.411 -4.384 1.00 0.00 H new ATOM 0 HE22 GLN A 7 -15.707 -1.235 -3.777 1.00 0.00 H new ATOM 130 N LEU A 8 -9.286 2.262 -4.363 1.00 0.00 N ATOM 131 CA LEU A 8 -8.193 2.276 -3.405 1.00 0.00 C ATOM 132 C LEU A 8 -7.894 3.722 -3.001 1.00 0.00 C ATOM 133 O LEU A 8 -7.383 3.972 -1.911 1.00 0.00 O ATOM 134 CB LEU A 8 -6.980 1.531 -3.965 1.00 0.00 C ATOM 135 CG LEU A 8 -5.698 1.616 -3.134 1.00 0.00 C ATOM 136 CD1 LEU A 8 -5.494 0.345 -2.308 1.00 0.00 C ATOM 137 CD2 LEU A 8 -4.490 1.924 -4.020 1.00 0.00 C ATOM 0 H LEU A 8 -9.011 2.046 -5.321 1.00 0.00 H new ATOM 0 HA LEU A 8 -8.475 1.742 -2.497 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -7.246 0.480 -4.080 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -6.769 1.918 -4.962 1.00 0.00 H new ATOM 0 HG LEU A 8 -5.801 2.443 -2.431 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -4.576 0.432 -1.727 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -6.339 0.210 -1.633 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -5.421 -0.514 -2.975 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -3.592 1.979 -3.405 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -4.373 1.135 -4.763 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -4.643 2.878 -4.525 1.00 0.00 H new ATOM 149 N SER A 9 -8.225 4.635 -3.903 1.00 0.00 N ATOM 150 CA SER A 9 -7.999 6.048 -3.654 1.00 0.00 C ATOM 151 C SER A 9 -9.065 6.589 -2.700 1.00 0.00 C ATOM 152 O SER A 9 -9.002 7.745 -2.283 1.00 0.00 O ATOM 153 CB SER A 9 -8.001 6.845 -4.960 1.00 0.00 C ATOM 154 OG SER A 9 -9.161 6.580 -5.745 1.00 0.00 O ATOM 0 H SER A 9 -8.648 4.423 -4.807 1.00 0.00 H new ATOM 0 HA SER A 9 -7.018 6.161 -3.193 1.00 0.00 H new ATOM 0 HB2 SER A 9 -7.951 7.910 -4.735 1.00 0.00 H new ATOM 0 HB3 SER A 9 -7.109 6.599 -5.536 1.00 0.00 H new ATOM 0 HG SER A 9 -9.842 6.150 -5.187 1.00 0.00 H new ATOM 160 N GLN A 10 -10.021 5.728 -2.383 1.00 0.00 N ATOM 161 CA GLN A 10 -11.100 6.106 -1.486 1.00 0.00 C ATOM 162 C GLN A 10 -11.062 5.248 -0.219 1.00 0.00 C ATOM 163 O GLN A 10 -12.040 5.189 0.525 1.00 0.00 O ATOM 164 CB GLN A 10 -12.458 5.993 -2.183 1.00 0.00 C ATOM 165 CG GLN A 10 -12.576 4.670 -2.942 1.00 0.00 C ATOM 166 CD GLN A 10 -13.884 4.607 -3.734 1.00 0.00 C ATOM 167 OE1 GLN A 10 -13.977 5.058 -4.864 1.00 0.00 O ATOM 168 NE2 GLN A 10 -14.885 4.025 -3.080 1.00 0.00 N ATOM 0 H GLN A 10 -10.071 4.771 -2.731 1.00 0.00 H new ATOM 0 HA GLN A 10 -10.960 7.149 -1.201 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -13.257 6.065 -1.445 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -12.586 6.826 -2.874 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -11.730 4.559 -3.621 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -12.532 3.838 -2.239 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -14.738 3.669 -2.135 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -15.799 3.935 -3.523 1.00 0.00 H new ATOM 177 N TYR A 11 -9.922 4.605 -0.013 1.00 0.00 N ATOM 178 CA TYR A 11 -9.744 3.754 1.151 1.00 0.00 C ATOM 179 C TYR A 11 -8.428 4.071 1.866 1.00 0.00 C ATOM 180 O TYR A 11 -7.533 3.230 1.929 1.00 0.00 O ATOM 181 CB TYR A 11 -9.689 2.320 0.620 1.00 0.00 C ATOM 182 CG TYR A 11 -10.941 1.892 -0.147 1.00 0.00 C ATOM 183 CD1 TYR A 11 -12.173 2.409 0.200 1.00 0.00 C ATOM 184 CD2 TYR A 11 -10.839 0.990 -1.186 1.00 0.00 C ATOM 185 CE1 TYR A 11 -13.352 2.006 -0.523 1.00 0.00 C ATOM 186 CE2 TYR A 11 -12.018 0.588 -1.909 1.00 0.00 C ATOM 187 CZ TYR A 11 -13.216 1.116 -1.541 1.00 0.00 C ATOM 188 OH TYR A 11 -14.330 0.736 -2.224 1.00 0.00 O ATOM 0 H TYR A 11 -9.113 4.656 -0.632 1.00 0.00 H new ATOM 0 HA TYR A 11 -10.554 3.905 1.865 1.00 0.00 H new ATOM 0 HB2 TYR A 11 -8.823 2.219 -0.034 1.00 0.00 H new ATOM 0 HB3 TYR A 11 -9.538 1.639 1.458 1.00 0.00 H new ATOM 0 HD1 TYR A 11 -12.253 3.115 1.013 1.00 0.00 H new ATOM 0 HD2 TYR A 11 -9.875 0.585 -1.457 1.00 0.00 H new ATOM 0 HE1 TYR A 11 -14.322 2.402 -0.262 1.00 0.00 H new ATOM 0 HE2 TYR A 11 -11.952 -0.117 -2.725 1.00 0.00 H new ATOM 0 HH TYR A 11 -14.982 1.468 -2.220 1.00 0.00 H new ATOM 198 N ASN A 12 -8.353 5.287 2.387 1.00 0.00 N ATOM 199 CA ASN A 12 -7.162 5.726 3.094 1.00 0.00 C ATOM 200 C ASN A 12 -7.550 6.183 4.502 1.00 0.00 C ATOM 201 O ASN A 12 -6.755 6.815 5.195 1.00 0.00 O ATOM 202 CB ASN A 12 -6.500 6.906 2.380 1.00 0.00 C ATOM 203 CG ASN A 12 -7.253 8.208 2.660 1.00 0.00 C ATOM 204 OD1 ASN A 12 -7.388 8.647 3.790 1.00 0.00 O ATOM 205 ND2 ASN A 12 -7.734 8.799 1.570 1.00 0.00 N ATOM 0 H ASN A 12 -9.098 5.982 2.334 1.00 0.00 H new ATOM 0 HA ASN A 12 -6.464 4.889 3.130 1.00 0.00 H new ATOM 0 HB2 ASN A 12 -5.466 7.002 2.710 1.00 0.00 H new ATOM 0 HB3 ASN A 12 -6.476 6.719 1.306 1.00 0.00 H new ATOM 0 HD21 ASN A 12 -8.252 9.674 1.651 1.00 0.00 H new ATOM 0 HD22 ASN A 12 -7.585 8.377 0.653 1.00 0.00 H new ATOM 212 N GLY A 13 -8.773 5.844 4.884 1.00 0.00 N ATOM 213 CA GLY A 13 -9.276 6.211 6.196 1.00 0.00 C ATOM 214 C GLY A 13 -9.501 7.722 6.294 1.00 0.00 C ATOM 215 O GLY A 13 -8.560 8.478 6.531 1.00 0.00 O ATOM 0 H GLY A 13 -9.430 5.319 4.307 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -10.212 5.687 6.390 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -8.568 5.895 6.962 1.00 0.00 H new ATOM 219 N THR A 14 -10.752 8.115 6.107 1.00 0.00 N ATOM 220 CA THR A 14 -11.112 9.521 6.172 1.00 0.00 C ATOM 221 C THR A 14 -12.614 9.698 5.944 1.00 0.00 C ATOM 222 O THR A 14 -13.270 10.454 6.660 1.00 0.00 O ATOM 223 CB THR A 14 -10.250 10.277 5.158 1.00 0.00 C ATOM 224 OG1 THR A 14 -9.538 11.226 5.947 1.00 0.00 O ATOM 225 CG2 THR A 14 -11.084 11.136 4.205 1.00 0.00 C ATOM 0 H THR A 14 -11.529 7.484 5.910 1.00 0.00 H new ATOM 0 HA THR A 14 -10.914 9.935 7.161 1.00 0.00 H new ATOM 0 HB THR A 14 -9.659 9.565 4.582 1.00 0.00 H new ATOM 0 HG1 THR A 14 -8.953 11.759 5.369 1.00 0.00 H new ATOM 0 HG21 THR A 14 -10.424 11.651 3.507 1.00 0.00 H new ATOM 0 HG22 THR A 14 -11.773 10.499 3.650 1.00 0.00 H new ATOM 0 HG23 THR A 14 -11.650 11.871 4.778 1.00 0.00 H new ATOM 293 N PRO A 19 -13.086 1.845 3.956 1.00 0.00 N ATOM 294 CA PRO A 19 -12.052 0.957 4.460 1.00 0.00 C ATOM 295 C PRO A 19 -10.658 1.500 4.141 1.00 0.00 C ATOM 296 O PRO A 19 -10.507 2.364 3.278 1.00 0.00 O ATOM 297 CB PRO A 19 -12.332 -0.385 3.802 1.00 0.00 C ATOM 298 CG PRO A 19 -13.219 -0.085 2.605 1.00 0.00 C ATOM 299 CD PRO A 19 -13.742 1.334 2.756 1.00 0.00 C ATOM 0 HA PRO A 19 -12.069 0.865 5.546 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -11.406 -0.868 3.491 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -12.828 -1.064 4.495 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -12.656 -0.187 1.677 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -14.046 -0.793 2.556 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -13.499 1.940 1.883 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -14.827 1.347 2.862 1.00 0.00 H new ATOM 307 N ILE A 20 -9.675 0.972 4.855 1.00 0.00 N ATOM 308 CA ILE A 20 -8.298 1.394 4.659 1.00 0.00 C ATOM 309 C ILE A 20 -7.528 0.285 3.939 1.00 0.00 C ATOM 310 O ILE A 20 -7.272 -0.772 4.513 1.00 0.00 O ATOM 311 CB ILE A 20 -7.671 1.814 5.990 1.00 0.00 C ATOM 312 CG1 ILE A 20 -8.694 2.528 6.876 1.00 0.00 C ATOM 313 CG2 ILE A 20 -6.418 2.662 5.762 1.00 0.00 C ATOM 314 CD1 ILE A 20 -9.038 1.683 8.105 1.00 0.00 C ATOM 0 H ILE A 20 -9.804 0.256 5.570 1.00 0.00 H new ATOM 0 HA ILE A 20 -8.257 2.277 4.022 1.00 0.00 H new ATOM 0 HB ILE A 20 -7.358 0.914 6.520 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -8.296 3.492 7.193 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -9.599 2.729 6.303 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -5.992 2.947 6.724 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -5.686 2.085 5.198 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -6.683 3.559 5.202 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -9.767 2.213 8.718 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -9.458 0.729 7.785 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -8.135 1.504 8.688 1.00 0.00 H new ATOM 326 N TYR A 21 -7.179 0.565 2.691 1.00 0.00 N ATOM 327 CA TYR A 21 -6.443 -0.395 1.887 1.00 0.00 C ATOM 328 C TYR A 21 -5.216 0.255 1.243 1.00 0.00 C ATOM 329 O TYR A 21 -5.300 1.366 0.721 1.00 0.00 O ATOM 330 CB TYR A 21 -7.403 -0.847 0.785 1.00 0.00 C ATOM 331 CG TYR A 21 -8.577 -1.689 1.290 1.00 0.00 C ATOM 332 CD1 TYR A 21 -8.396 -2.563 2.342 1.00 0.00 C ATOM 333 CD2 TYR A 21 -9.815 -1.575 0.692 1.00 0.00 C ATOM 334 CE1 TYR A 21 -9.501 -3.356 2.817 1.00 0.00 C ATOM 335 CE2 TYR A 21 -10.920 -2.368 1.167 1.00 0.00 C ATOM 336 CZ TYR A 21 -10.708 -3.219 2.206 1.00 0.00 C ATOM 337 OH TYR A 21 -11.751 -3.968 2.654 1.00 0.00 O ATOM 0 H TYR A 21 -7.393 1.443 2.218 1.00 0.00 H new ATOM 0 HA TYR A 21 -6.094 -1.224 2.503 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -7.793 0.033 0.274 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -6.846 -1.424 0.046 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -7.426 -2.653 2.809 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -9.956 -0.891 -0.132 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -9.374 -4.044 3.640 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -11.894 -2.288 0.708 1.00 0.00 H new ATOM 0 HH TYR A 21 -12.551 -3.765 2.125 1.00 0.00 H new ATOM 347 N VAL A 22 -4.106 -0.465 1.300 1.00 0.00 N ATOM 348 CA VAL A 22 -2.864 0.027 0.729 1.00 0.00 C ATOM 349 C VAL A 22 -2.438 -0.887 -0.421 1.00 0.00 C ATOM 350 O VAL A 22 -2.720 -2.085 -0.403 1.00 0.00 O ATOM 351 CB VAL A 22 -1.799 0.151 1.820 1.00 0.00 C ATOM 352 CG1 VAL A 22 -2.419 0.001 3.211 1.00 0.00 C ATOM 353 CG2 VAL A 22 -0.676 -0.866 1.608 1.00 0.00 C ATOM 0 H VAL A 22 -4.041 -1.386 1.733 1.00 0.00 H new ATOM 0 HA VAL A 22 -3.004 1.026 0.315 1.00 0.00 H new ATOM 0 HB VAL A 22 -1.365 1.149 1.752 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -1.640 0.093 3.968 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -3.166 0.780 3.362 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -2.893 -0.977 3.295 1.00 0.00 H new ATOM 0 HG21 VAL A 22 0.068 -0.756 2.397 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -1.088 -1.875 1.636 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -0.206 -0.693 0.640 1.00 0.00 H new ATOM 363 N ALA A 23 -1.767 -0.289 -1.394 1.00 0.00 N ATOM 364 CA ALA A 23 -1.300 -1.035 -2.550 1.00 0.00 C ATOM 365 C ALA A 23 0.218 -1.200 -2.465 1.00 0.00 C ATOM 366 O ALA A 23 0.907 -0.359 -1.890 1.00 0.00 O ATOM 367 CB ALA A 23 -1.738 -0.320 -3.830 1.00 0.00 C ATOM 0 H ALA A 23 -1.535 0.704 -1.406 1.00 0.00 H new ATOM 0 HA ALA A 23 -1.740 -2.032 -2.567 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -1.388 -0.880 -4.697 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -2.826 -0.254 -3.856 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -1.313 0.684 -3.850 1.00 0.00 H new ATOM 373 N ILE A 24 0.696 -2.291 -3.047 1.00 0.00 N ATOM 374 CA ILE A 24 2.120 -2.578 -3.044 1.00 0.00 C ATOM 375 C ILE A 24 2.459 -3.469 -4.241 1.00 0.00 C ATOM 376 O ILE A 24 2.094 -4.643 -4.268 1.00 0.00 O ATOM 377 CB ILE A 24 2.546 -3.168 -1.698 1.00 0.00 C ATOM 378 CG1 ILE A 24 2.835 -2.061 -0.681 1.00 0.00 C ATOM 379 CG2 ILE A 24 3.733 -4.117 -1.866 1.00 0.00 C ATOM 380 CD1 ILE A 24 3.492 -2.632 0.577 1.00 0.00 C ATOM 0 H ILE A 24 0.122 -2.986 -3.524 1.00 0.00 H new ATOM 0 HA ILE A 24 2.694 -1.658 -3.158 1.00 0.00 H new ATOM 0 HB ILE A 24 1.717 -3.757 -1.306 1.00 0.00 H new ATOM 0 HG12 ILE A 24 3.488 -1.312 -1.129 1.00 0.00 H new ATOM 0 HG13 ILE A 24 1.907 -1.556 -0.414 1.00 0.00 H new ATOM 0 HG21 ILE A 24 4.015 -4.522 -0.894 1.00 0.00 H new ATOM 0 HG22 ILE A 24 3.455 -4.933 -2.533 1.00 0.00 H new ATOM 0 HG23 ILE A 24 4.576 -3.573 -2.291 1.00 0.00 H new ATOM 0 HD11 ILE A 24 3.687 -1.825 1.284 1.00 0.00 H new ATOM 0 HD12 ILE A 24 2.826 -3.363 1.035 1.00 0.00 H new ATOM 0 HD13 ILE A 24 4.432 -3.115 0.309 1.00 0.00 H new ATOM 392 N LYS A 25 3.153 -2.877 -5.201 1.00 0.00 N ATOM 393 CA LYS A 25 3.546 -3.602 -6.397 1.00 0.00 C ATOM 394 C LYS A 25 2.293 -3.994 -7.185 1.00 0.00 C ATOM 395 O LYS A 25 2.342 -4.882 -8.034 1.00 0.00 O ATOM 396 CB LYS A 25 4.440 -4.790 -6.035 1.00 0.00 C ATOM 397 CG LYS A 25 5.744 -4.317 -5.388 1.00 0.00 C ATOM 398 CD LYS A 25 6.628 -3.592 -6.404 1.00 0.00 C ATOM 399 CE LYS A 25 7.671 -4.541 -6.999 1.00 0.00 C ATOM 400 NZ LYS A 25 7.058 -5.401 -8.036 1.00 0.00 N ATOM 0 H LYS A 25 3.454 -1.903 -5.175 1.00 0.00 H new ATOM 0 HA LYS A 25 4.147 -2.966 -7.047 1.00 0.00 H new ATOM 0 HB2 LYS A 25 3.910 -5.454 -5.351 1.00 0.00 H new ATOM 0 HB3 LYS A 25 4.663 -5.368 -6.932 1.00 0.00 H new ATOM 0 HG2 LYS A 25 5.520 -3.651 -4.555 1.00 0.00 H new ATOM 0 HG3 LYS A 25 6.281 -5.172 -4.977 1.00 0.00 H new ATOM 0 HD2 LYS A 25 6.009 -3.180 -7.201 1.00 0.00 H new ATOM 0 HD3 LYS A 25 7.128 -2.752 -5.922 1.00 0.00 H new ATOM 0 HE2 LYS A 25 8.489 -3.966 -7.432 1.00 0.00 H new ATOM 0 HE3 LYS A 25 8.099 -5.160 -6.211 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 7.805 -5.824 -8.622 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 6.507 -6.156 -7.580 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 6.430 -4.828 -8.636 1.00 0.00 H new ATOM 414 N GLY A 26 1.201 -3.312 -6.874 1.00 0.00 N ATOM 415 CA GLY A 26 -0.062 -3.577 -7.542 1.00 0.00 C ATOM 416 C GLY A 26 -0.923 -4.541 -6.723 1.00 0.00 C ATOM 417 O GLY A 26 -1.907 -5.080 -7.227 1.00 0.00 O ATOM 0 H GLY A 26 1.164 -2.576 -6.168 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -0.601 -2.642 -7.694 1.00 0.00 H new ATOM 0 HA3 GLY A 26 0.126 -4.000 -8.529 1.00 0.00 H new ATOM 421 N ARG A 27 -0.522 -4.728 -5.475 1.00 0.00 N ATOM 422 CA ARG A 27 -1.245 -5.617 -4.581 1.00 0.00 C ATOM 423 C ARG A 27 -1.900 -4.818 -3.453 1.00 0.00 C ATOM 424 O ARG A 27 -1.243 -4.014 -2.794 1.00 0.00 O ATOM 425 CB ARG A 27 -0.312 -6.668 -3.977 1.00 0.00 C ATOM 426 CG ARG A 27 -1.077 -7.947 -3.632 1.00 0.00 C ATOM 427 CD ARG A 27 -0.244 -8.858 -2.728 1.00 0.00 C ATOM 428 NE ARG A 27 0.187 -10.058 -3.479 1.00 0.00 N ATOM 429 CZ ARG A 27 -0.654 -10.917 -4.071 1.00 0.00 C ATOM 430 NH1 ARG A 27 -1.977 -10.713 -4.004 1.00 0.00 N ATOM 431 NH2 ARG A 27 -0.173 -11.979 -4.731 1.00 0.00 N ATOM 0 H ARG A 27 0.295 -4.279 -5.061 1.00 0.00 H new ATOM 0 HA ARG A 27 -2.013 -6.123 -5.166 1.00 0.00 H new ATOM 0 HB2 ARG A 27 0.488 -6.897 -4.681 1.00 0.00 H new ATOM 0 HB3 ARG A 27 0.159 -6.268 -3.079 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -2.013 -7.692 -3.134 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -1.337 -8.477 -4.548 1.00 0.00 H new ATOM 0 HD2 ARG A 27 0.627 -8.318 -2.357 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -0.829 -9.154 -1.858 1.00 0.00 H new ATOM 0 HE ARG A 27 1.188 -10.243 -3.551 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -2.344 -9.904 -3.502 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -2.617 -11.367 -4.455 1.00 0.00 H new ATOM 0 HH21 ARG A 27 0.834 -12.134 -4.783 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -0.814 -12.633 -5.181 1.00 0.00 H new ATOM 445 N VAL A 28 -3.188 -5.067 -3.265 1.00 0.00 N ATOM 446 CA VAL A 28 -3.940 -4.381 -2.228 1.00 0.00 C ATOM 447 C VAL A 28 -3.804 -5.151 -0.913 1.00 0.00 C ATOM 448 O VAL A 28 -4.160 -6.326 -0.837 1.00 0.00 O ATOM 449 CB VAL A 28 -5.394 -4.201 -2.668 1.00 0.00 C ATOM 450 CG1 VAL A 28 -6.227 -3.558 -1.558 1.00 0.00 C ATOM 451 CG2 VAL A 28 -5.479 -3.385 -3.960 1.00 0.00 C ATOM 0 H VAL A 28 -3.730 -5.735 -3.814 1.00 0.00 H new ATOM 0 HA VAL A 28 -3.539 -3.381 -2.063 1.00 0.00 H new ATOM 0 HB VAL A 28 -5.808 -5.189 -2.868 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -7.256 -3.441 -1.897 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -6.206 -4.194 -0.673 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -5.813 -2.580 -1.312 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -6.523 -3.272 -4.251 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -5.039 -2.401 -3.799 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -4.936 -3.900 -4.752 1.00 0.00 H new ATOM 461 N PHE A 29 -3.290 -4.456 0.092 1.00 0.00 N ATOM 462 CA PHE A 29 -3.103 -5.059 1.400 1.00 0.00 C ATOM 463 C PHE A 29 -4.010 -4.401 2.442 1.00 0.00 C ATOM 464 O PHE A 29 -4.228 -3.191 2.404 1.00 0.00 O ATOM 465 CB PHE A 29 -1.643 -4.830 1.794 1.00 0.00 C ATOM 466 CG PHE A 29 -0.651 -5.735 1.061 1.00 0.00 C ATOM 467 CD1 PHE A 29 -0.726 -7.085 1.207 1.00 0.00 C ATOM 468 CD2 PHE A 29 0.307 -5.190 0.265 1.00 0.00 C ATOM 469 CE1 PHE A 29 0.194 -7.925 0.526 1.00 0.00 C ATOM 470 CE2 PHE A 29 1.228 -6.030 -0.416 1.00 0.00 C ATOM 471 CZ PHE A 29 1.152 -7.380 -0.270 1.00 0.00 C ATOM 0 H PHE A 29 -2.997 -3.481 0.026 1.00 0.00 H new ATOM 0 HA PHE A 29 -3.351 -6.120 1.359 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -1.383 -3.790 1.598 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -1.538 -4.988 2.867 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -1.485 -7.518 1.841 1.00 0.00 H new ATOM 0 HD2 PHE A 29 0.368 -4.118 0.150 1.00 0.00 H new ATOM 0 HE1 PHE A 29 0.133 -8.997 0.640 1.00 0.00 H new ATOM 0 HE2 PHE A 29 1.988 -5.597 -1.049 1.00 0.00 H new ATOM 0 HZ PHE A 29 1.853 -8.019 -0.786 1.00 0.00 H new ATOM 481 N ASP A 30 -4.513 -5.226 3.348 1.00 0.00 N ATOM 482 CA ASP A 30 -5.391 -4.739 4.398 1.00 0.00 C ATOM 483 C ASP A 30 -4.549 -4.306 5.601 1.00 0.00 C ATOM 484 O ASP A 30 -3.770 -5.094 6.134 1.00 0.00 O ATOM 485 CB ASP A 30 -6.353 -5.833 4.864 1.00 0.00 C ATOM 486 CG ASP A 30 -6.861 -5.680 6.299 1.00 0.00 C ATOM 487 OD1 ASP A 30 -5.999 -5.582 7.199 1.00 0.00 O ATOM 488 OD2 ASP A 30 -8.100 -5.664 6.463 1.00 0.00 O ATOM 0 H ASP A 30 -4.329 -6.229 3.377 1.00 0.00 H new ATOM 0 HA ASP A 30 -5.964 -3.903 3.997 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -7.210 -5.852 4.191 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -5.854 -6.798 4.772 1.00 0.00 H new ATOM 493 N VAL A 31 -4.735 -3.054 5.992 1.00 0.00 N ATOM 494 CA VAL A 31 -4.003 -2.506 7.121 1.00 0.00 C ATOM 495 C VAL A 31 -4.993 -1.934 8.137 1.00 0.00 C ATOM 496 O VAL A 31 -4.590 -1.392 9.165 1.00 0.00 O ATOM 497 CB VAL A 31 -2.983 -1.475 6.634 1.00 0.00 C ATOM 498 CG1 VAL A 31 -2.110 -2.052 5.518 1.00 0.00 C ATOM 499 CG2 VAL A 31 -3.678 -0.190 6.178 1.00 0.00 C ATOM 0 H VAL A 31 -5.382 -2.403 5.547 1.00 0.00 H new ATOM 0 HA VAL A 31 -3.437 -3.290 7.625 1.00 0.00 H new ATOM 0 HB VAL A 31 -2.333 -1.225 7.472 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -1.394 -1.299 5.190 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -1.574 -2.925 5.890 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -2.740 -2.344 4.678 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -2.931 0.526 5.837 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -4.363 -0.417 5.361 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -4.236 0.237 7.011 1.00 0.00 H new ATOM 509 N THR A 32 -6.271 -2.074 7.814 1.00 0.00 N ATOM 510 CA THR A 32 -7.322 -1.577 8.685 1.00 0.00 C ATOM 511 C THR A 32 -7.125 -2.100 10.109 1.00 0.00 C ATOM 512 O THR A 32 -7.577 -1.478 11.070 1.00 0.00 O ATOM 513 CB THR A 32 -8.668 -1.971 8.074 1.00 0.00 C ATOM 514 OG1 THR A 32 -9.482 -2.287 9.200 1.00 0.00 O ATOM 515 CG2 THR A 32 -8.593 -3.282 7.288 1.00 0.00 C ATOM 0 H THR A 32 -6.602 -2.525 6.961 1.00 0.00 H new ATOM 0 HA THR A 32 -7.290 -0.490 8.764 1.00 0.00 H new ATOM 0 HB THR A 32 -9.015 -1.174 7.417 1.00 0.00 H new ATOM 0 HG1 THR A 32 -10.375 -2.552 8.894 1.00 0.00 H new ATOM 0 HG21 THR A 32 -9.575 -3.516 6.876 1.00 0.00 H new ATOM 0 HG22 THR A 32 -7.873 -3.179 6.476 1.00 0.00 H new ATOM 0 HG23 THR A 32 -8.278 -4.087 7.952 1.00 0.00 H new ATOM 523 N THR A 33 -6.451 -3.237 10.200 1.00 0.00 N ATOM 524 CA THR A 33 -6.189 -3.850 11.491 1.00 0.00 C ATOM 525 C THR A 33 -5.510 -2.850 12.429 1.00 0.00 C ATOM 526 O THR A 33 -5.370 -3.110 13.623 1.00 0.00 O ATOM 527 CB THR A 33 -5.366 -5.117 11.254 1.00 0.00 C ATOM 528 OG1 THR A 33 -4.848 -5.441 12.542 1.00 0.00 O ATOM 529 CG2 THR A 33 -4.119 -4.856 10.407 1.00 0.00 C ATOM 0 H THR A 33 -6.078 -3.750 9.401 1.00 0.00 H new ATOM 0 HA THR A 33 -7.116 -4.136 11.989 1.00 0.00 H new ATOM 0 HB THR A 33 -5.988 -5.866 10.764 1.00 0.00 H new ATOM 0 HG1 THR A 33 -5.254 -4.855 13.215 1.00 0.00 H new ATOM 0 HG21 THR A 33 -3.571 -5.788 10.269 1.00 0.00 H new ATOM 0 HG22 THR A 33 -4.415 -4.462 9.435 1.00 0.00 H new ATOM 0 HG23 THR A 33 -3.481 -4.131 10.913 1.00 0.00 H new ATOM 537 N GLY A 34 -5.106 -1.728 11.852 1.00 0.00 N ATOM 538 CA GLY A 34 -4.444 -0.688 12.622 1.00 0.00 C ATOM 539 C GLY A 34 -4.628 0.682 11.964 1.00 0.00 C ATOM 540 O GLY A 34 -3.661 1.419 11.777 1.00 0.00 O ATOM 0 H GLY A 34 -5.224 -1.516 10.861 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -4.848 -0.667 13.634 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -3.381 -0.915 12.708 1.00 0.00 H new ATOM 544 N LYS A 35 -5.875 0.980 11.632 1.00 0.00 N ATOM 545 CA LYS A 35 -6.198 2.248 10.999 1.00 0.00 C ATOM 546 C LYS A 35 -5.553 3.387 11.790 1.00 0.00 C ATOM 547 O LYS A 35 -5.308 4.463 11.248 1.00 0.00 O ATOM 548 CB LYS A 35 -7.712 2.394 10.834 1.00 0.00 C ATOM 549 CG LYS A 35 -8.303 3.263 11.946 1.00 0.00 C ATOM 550 CD LYS A 35 -9.810 3.449 11.754 1.00 0.00 C ATOM 551 CE LYS A 35 -10.133 4.870 11.290 1.00 0.00 C ATOM 552 NZ LYS A 35 -11.579 5.148 11.437 1.00 0.00 N ATOM 0 H LYS A 35 -6.674 0.366 11.789 1.00 0.00 H new ATOM 0 HA LYS A 35 -5.786 2.286 9.991 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -7.935 2.838 9.864 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -8.180 1.410 10.849 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -8.110 2.801 12.914 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -7.811 4.236 11.953 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -10.178 2.731 11.021 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -10.328 3.242 12.691 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -9.558 5.589 11.873 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -9.837 4.995 10.248 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -11.780 6.117 11.117 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -12.122 4.474 10.861 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -11.852 5.049 12.436 1.00 0.00 H new ATOM 566 N SER A 36 -5.296 3.111 13.060 1.00 0.00 N ATOM 567 CA SER A 36 -4.684 4.099 13.932 1.00 0.00 C ATOM 568 C SER A 36 -3.349 4.560 13.344 1.00 0.00 C ATOM 569 O SER A 36 -2.828 5.608 13.723 1.00 0.00 O ATOM 570 CB SER A 36 -4.478 3.539 15.341 1.00 0.00 C ATOM 571 OG SER A 36 -5.122 4.336 16.331 1.00 0.00 O ATOM 0 H SER A 36 -5.501 2.217 13.506 1.00 0.00 H new ATOM 0 HA SER A 36 -5.357 4.954 14.005 1.00 0.00 H new ATOM 0 HB2 SER A 36 -4.865 2.521 15.387 1.00 0.00 H new ATOM 0 HB3 SER A 36 -3.411 3.484 15.557 1.00 0.00 H new ATOM 0 HG SER A 36 -4.969 3.945 17.216 1.00 0.00 H new ATOM 577 N PHE A 37 -2.832 3.754 12.428 1.00 0.00 N ATOM 578 CA PHE A 37 -1.567 4.066 11.784 1.00 0.00 C ATOM 579 C PHE A 37 -1.781 4.477 10.326 1.00 0.00 C ATOM 580 O PHE A 37 -1.179 5.440 9.854 1.00 0.00 O ATOM 581 CB PHE A 37 -0.719 2.793 11.823 1.00 0.00 C ATOM 582 CG PHE A 37 -0.399 2.302 13.237 1.00 0.00 C ATOM 583 CD1 PHE A 37 0.526 2.954 13.990 1.00 0.00 C ATOM 584 CD2 PHE A 37 -1.041 1.213 13.739 1.00 0.00 C ATOM 585 CE1 PHE A 37 0.823 2.498 15.302 1.00 0.00 C ATOM 586 CE2 PHE A 37 -0.744 0.757 15.051 1.00 0.00 C ATOM 587 CZ PHE A 37 0.182 1.410 15.805 1.00 0.00 C ATOM 0 H PHE A 37 -3.266 2.885 12.116 1.00 0.00 H new ATOM 0 HA PHE A 37 -1.081 4.894 12.300 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -1.243 2.003 11.285 1.00 0.00 H new ATOM 0 HB3 PHE A 37 0.216 2.975 11.292 1.00 0.00 H new ATOM 0 HD1 PHE A 37 1.035 3.819 13.591 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -1.776 0.695 13.140 1.00 0.00 H new ATOM 0 HE1 PHE A 37 1.558 3.016 15.900 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -1.253 -0.108 15.450 1.00 0.00 H new ATOM 0 HZ PHE A 37 0.407 1.064 16.803 1.00 0.00 H new ATOM 597 N TYR A 38 -2.641 3.727 9.653 1.00 0.00 N ATOM 598 CA TYR A 38 -2.942 4.001 8.258 1.00 0.00 C ATOM 599 C TYR A 38 -4.153 4.927 8.131 1.00 0.00 C ATOM 600 O TYR A 38 -4.176 5.811 7.275 1.00 0.00 O ATOM 601 CB TYR A 38 -3.280 2.649 7.626 1.00 0.00 C ATOM 602 CG TYR A 38 -2.253 2.168 6.599 1.00 0.00 C ATOM 603 CD1 TYR A 38 -2.165 2.788 5.369 1.00 0.00 C ATOM 604 CD2 TYR A 38 -1.415 1.115 6.903 1.00 0.00 C ATOM 605 CE1 TYR A 38 -1.198 2.335 4.403 1.00 0.00 C ATOM 606 CE2 TYR A 38 -0.448 0.662 5.936 1.00 0.00 C ATOM 607 CZ TYR A 38 -0.388 1.295 4.734 1.00 0.00 C ATOM 608 OH TYR A 38 0.525 0.867 3.821 1.00 0.00 O ATOM 0 H TYR A 38 -3.139 2.929 10.048 1.00 0.00 H new ATOM 0 HA TYR A 38 -2.098 4.490 7.772 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -3.367 1.902 8.415 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -4.255 2.718 7.144 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -2.821 3.612 5.131 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -1.484 0.630 7.866 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -1.118 2.811 3.437 1.00 0.00 H new ATOM 0 HE2 TYR A 38 0.214 -0.161 6.161 1.00 0.00 H new ATOM 0 HH TYR A 38 1.238 0.373 4.278 1.00 0.00 H new ATOM 618 N GLY A 39 -5.131 4.694 8.994 1.00 0.00 N ATOM 619 CA GLY A 39 -6.342 5.496 8.989 1.00 0.00 C ATOM 620 C GLY A 39 -6.011 6.987 8.895 1.00 0.00 C ATOM 621 O GLY A 39 -4.843 7.370 8.916 1.00 0.00 O ATOM 0 H GLY A 39 -5.109 3.960 9.702 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -6.971 5.206 8.148 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -6.914 5.303 9.897 1.00 0.00 H new ATOM 625 N SER A 40 -7.062 7.788 8.793 1.00 0.00 N ATOM 626 CA SER A 40 -6.898 9.228 8.695 1.00 0.00 C ATOM 627 C SER A 40 -5.727 9.682 9.569 1.00 0.00 C ATOM 628 O SER A 40 -5.647 9.321 10.742 1.00 0.00 O ATOM 629 CB SER A 40 -8.180 9.958 9.103 1.00 0.00 C ATOM 630 OG SER A 40 -8.385 11.144 8.341 1.00 0.00 O ATOM 0 H SER A 40 -8.030 7.467 8.776 1.00 0.00 H new ATOM 0 HA SER A 40 -6.685 9.478 7.656 1.00 0.00 H new ATOM 0 HB2 SER A 40 -9.033 9.292 8.973 1.00 0.00 H new ATOM 0 HB3 SER A 40 -8.131 10.211 10.162 1.00 0.00 H new ATOM 0 HG SER A 40 -8.950 10.942 7.566 1.00 0.00 H new ATOM 636 N GLY A 41 -4.848 10.468 8.964 1.00 0.00 N ATOM 637 CA GLY A 41 -3.686 10.975 9.673 1.00 0.00 C ATOM 638 C GLY A 41 -3.120 9.919 10.624 1.00 0.00 C ATOM 639 O GLY A 41 -3.487 9.873 11.797 1.00 0.00 O ATOM 0 H GLY A 41 -4.918 10.766 7.991 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -2.920 11.273 8.957 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -3.960 11.867 10.236 1.00 0.00 H new ATOM 643 N GLY A 42 -2.234 9.095 10.083 1.00 0.00 N ATOM 644 CA GLY A 42 -1.614 8.042 10.869 1.00 0.00 C ATOM 645 C GLY A 42 -0.215 7.715 10.341 1.00 0.00 C ATOM 646 O GLY A 42 0.245 8.322 9.376 1.00 0.00 O ATOM 0 H GLY A 42 -1.931 9.136 9.110 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -1.550 8.352 11.912 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -2.236 7.147 10.840 1.00 0.00 H new ATOM 650 N ASP A 43 0.421 6.757 10.998 1.00 0.00 N ATOM 651 CA ASP A 43 1.758 6.343 10.607 1.00 0.00 C ATOM 652 C ASP A 43 1.842 6.279 9.081 1.00 0.00 C ATOM 653 O ASP A 43 2.745 6.860 8.481 1.00 0.00 O ATOM 654 CB ASP A 43 2.087 4.953 11.157 1.00 0.00 C ATOM 655 CG ASP A 43 3.342 4.882 12.028 1.00 0.00 C ATOM 656 OD1 ASP A 43 4.444 4.904 11.438 1.00 0.00 O ATOM 657 OD2 ASP A 43 3.172 4.809 13.264 1.00 0.00 O ATOM 0 H ASP A 43 0.036 6.255 11.798 1.00 0.00 H new ATOM 0 HA ASP A 43 2.466 7.067 11.009 1.00 0.00 H new ATOM 0 HB2 ASP A 43 1.237 4.600 11.741 1.00 0.00 H new ATOM 0 HB3 ASP A 43 2.205 4.266 10.319 1.00 0.00 H new ATOM 662 N TYR A 44 0.888 5.569 8.497 1.00 0.00 N ATOM 663 CA TYR A 44 0.843 5.422 7.052 1.00 0.00 C ATOM 664 C TYR A 44 -0.247 6.308 6.445 1.00 0.00 C ATOM 665 O TYR A 44 -1.152 5.813 5.774 1.00 0.00 O ATOM 666 CB TYR A 44 0.497 3.955 6.788 1.00 0.00 C ATOM 667 CG TYR A 44 1.055 2.986 7.832 1.00 0.00 C ATOM 668 CD1 TYR A 44 2.419 2.816 7.956 1.00 0.00 C ATOM 669 CD2 TYR A 44 0.195 2.283 8.650 1.00 0.00 C ATOM 670 CE1 TYR A 44 2.945 1.904 8.939 1.00 0.00 C ATOM 671 CE2 TYR A 44 0.721 1.371 9.633 1.00 0.00 C ATOM 672 CZ TYR A 44 2.070 1.227 9.729 1.00 0.00 C ATOM 673 OH TYR A 44 2.566 0.365 10.657 1.00 0.00 O ATOM 0 H TYR A 44 0.140 5.089 8.998 1.00 0.00 H new ATOM 0 HA TYR A 44 1.794 5.714 6.606 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -0.587 3.849 6.752 1.00 0.00 H new ATOM 0 HB3 TYR A 44 0.878 3.674 5.806 1.00 0.00 H new ATOM 0 HD1 TYR A 44 3.092 3.367 7.316 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -0.872 2.416 8.553 1.00 0.00 H new ATOM 0 HE1 TYR A 44 4.010 1.761 9.046 1.00 0.00 H new ATOM 0 HE2 TYR A 44 0.059 0.814 10.279 1.00 0.00 H new ATOM 0 HH TYR A 44 1.826 -0.047 11.149 1.00 0.00 H new ATOM 683 N SER A 45 -0.124 7.602 6.702 1.00 0.00 N ATOM 684 CA SER A 45 -1.088 8.561 6.189 1.00 0.00 C ATOM 685 C SER A 45 -0.890 8.747 4.684 1.00 0.00 C ATOM 686 O SER A 45 -1.837 9.058 3.963 1.00 0.00 O ATOM 687 CB SER A 45 -0.965 9.904 6.911 1.00 0.00 C ATOM 688 OG SER A 45 -0.124 10.814 6.207 1.00 0.00 O ATOM 0 H SER A 45 0.628 8.009 7.258 1.00 0.00 H new ATOM 0 HA SER A 45 -2.089 8.171 6.372 1.00 0.00 H new ATOM 0 HB2 SER A 45 -1.955 10.344 7.030 1.00 0.00 H new ATOM 0 HB3 SER A 45 -0.566 9.742 7.912 1.00 0.00 H new ATOM 0 HG SER A 45 -0.073 11.660 6.699 1.00 0.00 H new ATOM 694 N MET A 46 0.347 8.550 4.253 1.00 0.00 N ATOM 695 CA MET A 46 0.682 8.693 2.846 1.00 0.00 C ATOM 696 C MET A 46 0.381 7.404 2.078 1.00 0.00 C ATOM 697 O MET A 46 0.015 7.448 0.904 1.00 0.00 O ATOM 698 CB MET A 46 2.166 9.037 2.706 1.00 0.00 C ATOM 699 CG MET A 46 3.014 8.209 3.674 1.00 0.00 C ATOM 700 SD MET A 46 3.343 9.149 5.155 1.00 0.00 S ATOM 701 CE MET A 46 3.820 10.710 4.432 1.00 0.00 C ATOM 0 H MET A 46 1.130 8.292 4.854 1.00 0.00 H new ATOM 0 HA MET A 46 0.074 9.495 2.426 1.00 0.00 H new ATOM 0 HB2 MET A 46 2.491 8.852 1.682 1.00 0.00 H new ATOM 0 HB3 MET A 46 2.317 10.099 2.901 1.00 0.00 H new ATOM 0 HG2 MET A 46 2.494 7.285 3.928 1.00 0.00 H new ATOM 0 HG3 MET A 46 3.952 7.926 3.197 1.00 0.00 H new ATOM 0 HE1 MET A 46 4.646 11.137 5.001 1.00 0.00 H new ATOM 0 HE2 MET A 46 4.134 10.552 3.400 1.00 0.00 H new ATOM 0 HE3 MET A 46 2.972 11.395 4.453 1.00 0.00 H new ATOM 711 N PHE A 47 0.548 6.287 2.771 1.00 0.00 N ATOM 712 CA PHE A 47 0.299 4.989 2.168 1.00 0.00 C ATOM 713 C PHE A 47 -1.202 4.718 2.048 1.00 0.00 C ATOM 714 O PHE A 47 -1.646 4.073 1.100 1.00 0.00 O ATOM 715 CB PHE A 47 0.921 3.940 3.093 1.00 0.00 C ATOM 716 CG PHE A 47 2.385 4.212 3.445 1.00 0.00 C ATOM 717 CD1 PHE A 47 3.088 5.151 2.756 1.00 0.00 C ATOM 718 CD2 PHE A 47 2.984 3.514 4.448 1.00 0.00 C ATOM 719 CE1 PHE A 47 4.446 5.403 3.084 1.00 0.00 C ATOM 720 CE2 PHE A 47 4.342 3.767 4.775 1.00 0.00 C ATOM 721 CZ PHE A 47 5.045 4.705 4.086 1.00 0.00 C ATOM 0 H PHE A 47 0.853 6.254 3.744 1.00 0.00 H new ATOM 0 HA PHE A 47 0.728 4.956 1.167 1.00 0.00 H new ATOM 0 HB2 PHE A 47 0.339 3.891 4.014 1.00 0.00 H new ATOM 0 HB3 PHE A 47 0.848 2.962 2.618 1.00 0.00 H new ATOM 0 HD1 PHE A 47 2.613 5.705 1.960 1.00 0.00 H new ATOM 0 HD2 PHE A 47 2.427 2.768 4.995 1.00 0.00 H new ATOM 0 HE1 PHE A 47 5.004 6.149 2.538 1.00 0.00 H new ATOM 0 HE2 PHE A 47 4.817 3.214 5.572 1.00 0.00 H new ATOM 0 HZ PHE A 47 6.079 4.896 4.334 1.00 0.00 H new ATOM 731 N ALA A 48 -1.942 5.226 3.023 1.00 0.00 N ATOM 732 CA ALA A 48 -3.384 5.047 3.038 1.00 0.00 C ATOM 733 C ALA A 48 -3.952 5.400 1.662 1.00 0.00 C ATOM 734 O ALA A 48 -3.700 6.486 1.142 1.00 0.00 O ATOM 735 CB ALA A 48 -3.992 5.898 4.155 1.00 0.00 C ATOM 0 H ALA A 48 -1.570 5.761 3.808 1.00 0.00 H new ATOM 0 HA ALA A 48 -3.640 4.007 3.243 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -5.074 5.764 4.167 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -3.578 5.589 5.115 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -3.758 6.948 3.980 1.00 0.00 H new ATOM 741 N GLY A 49 -4.708 4.462 1.111 1.00 0.00 N ATOM 742 CA GLY A 49 -5.314 4.660 -0.195 1.00 0.00 C ATOM 743 C GLY A 49 -4.263 5.066 -1.231 1.00 0.00 C ATOM 744 O GLY A 49 -4.534 5.888 -2.105 1.00 0.00 O ATOM 0 H GLY A 49 -4.915 3.562 1.545 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -5.808 3.742 -0.513 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -6.083 5.430 -0.130 1.00 0.00 H new ATOM 748 N LYS A 50 -3.087 4.471 -1.098 1.00 0.00 N ATOM 749 CA LYS A 50 -1.995 4.761 -2.011 1.00 0.00 C ATOM 750 C LYS A 50 -0.957 3.639 -1.931 1.00 0.00 C ATOM 751 O LYS A 50 -0.801 3.006 -0.888 1.00 0.00 O ATOM 752 CB LYS A 50 -1.419 6.151 -1.734 1.00 0.00 C ATOM 753 CG LYS A 50 -2.324 7.244 -2.307 1.00 0.00 C ATOM 754 CD LYS A 50 -1.506 8.458 -2.749 1.00 0.00 C ATOM 755 CE LYS A 50 -1.198 8.397 -4.247 1.00 0.00 C ATOM 756 NZ LYS A 50 -0.136 9.366 -4.598 1.00 0.00 N ATOM 0 H LYS A 50 -2.867 3.789 -0.372 1.00 0.00 H new ATOM 0 HA LYS A 50 -2.356 4.790 -3.039 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -1.306 6.294 -0.659 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -0.424 6.230 -2.173 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -2.884 6.850 -3.155 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -3.054 7.547 -1.556 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -2.055 9.372 -2.524 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -0.575 8.498 -2.184 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -0.883 7.389 -4.519 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -2.100 8.614 -4.819 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -0.475 9.993 -5.355 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 0.106 9.934 -3.761 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 0.708 8.853 -4.925 1.00 0.00 H new ATOM 770 N ASP A 51 -0.275 3.427 -3.047 1.00 0.00 N ATOM 771 CA ASP A 51 0.743 2.392 -3.116 1.00 0.00 C ATOM 772 C ASP A 51 2.040 2.917 -2.497 1.00 0.00 C ATOM 773 O ASP A 51 2.763 3.691 -3.124 1.00 0.00 O ATOM 774 CB ASP A 51 1.035 2.003 -4.566 1.00 0.00 C ATOM 775 CG ASP A 51 2.045 0.867 -4.740 1.00 0.00 C ATOM 776 OD1 ASP A 51 3.004 0.833 -3.939 1.00 0.00 O ATOM 777 OD2 ASP A 51 1.835 0.059 -5.670 1.00 0.00 O ATOM 0 H ASP A 51 -0.407 3.954 -3.910 1.00 0.00 H new ATOM 0 HA ASP A 51 0.375 1.520 -2.576 1.00 0.00 H new ATOM 0 HB2 ASP A 51 0.099 1.713 -5.044 1.00 0.00 H new ATOM 0 HB3 ASP A 51 1.405 2.882 -5.095 1.00 0.00 H new ATOM 782 N ALA A 52 2.296 2.475 -1.274 1.00 0.00 N ATOM 783 CA ALA A 52 3.493 2.891 -0.564 1.00 0.00 C ATOM 784 C ALA A 52 4.619 1.892 -0.842 1.00 0.00 C ATOM 785 O ALA A 52 5.237 1.374 0.087 1.00 0.00 O ATOM 786 CB ALA A 52 3.183 3.019 0.929 1.00 0.00 C ATOM 0 H ALA A 52 1.695 1.833 -0.757 1.00 0.00 H new ATOM 0 HA ALA A 52 3.826 3.869 -0.913 1.00 0.00 H new ATOM 0 HB1 ALA A 52 4.081 3.331 1.462 1.00 0.00 H new ATOM 0 HB2 ALA A 52 2.398 3.761 1.075 1.00 0.00 H new ATOM 0 HB3 ALA A 52 2.848 2.056 1.315 1.00 0.00 H new ATOM 792 N SER A 53 4.850 1.652 -2.124 1.00 0.00 N ATOM 793 CA SER A 53 5.890 0.725 -2.536 1.00 0.00 C ATOM 794 C SER A 53 7.263 1.385 -2.402 1.00 0.00 C ATOM 795 O SER A 53 8.151 0.851 -1.739 1.00 0.00 O ATOM 796 CB SER A 53 5.667 0.250 -3.974 1.00 0.00 C ATOM 797 OG SER A 53 6.896 -0.002 -4.649 1.00 0.00 O ATOM 0 H SER A 53 4.335 2.083 -2.891 1.00 0.00 H new ATOM 0 HA SER A 53 5.848 -0.147 -1.883 1.00 0.00 H new ATOM 0 HB2 SER A 53 5.065 -0.658 -3.967 1.00 0.00 H new ATOM 0 HB3 SER A 53 5.101 1.004 -4.521 1.00 0.00 H new ATOM 0 HG SER A 53 6.711 -0.305 -5.563 1.00 0.00 H new ATOM 803 N ARG A 54 7.396 2.537 -3.043 1.00 0.00 N ATOM 804 CA ARG A 54 8.646 3.276 -3.003 1.00 0.00 C ATOM 805 C ARG A 54 8.906 3.804 -1.591 1.00 0.00 C ATOM 806 O ARG A 54 10.040 3.776 -1.113 1.00 0.00 O ATOM 807 CB ARG A 54 8.622 4.451 -3.983 1.00 0.00 C ATOM 808 CG ARG A 54 7.835 4.097 -5.246 1.00 0.00 C ATOM 809 CD ARG A 54 8.530 4.639 -6.496 1.00 0.00 C ATOM 810 NE ARG A 54 8.236 6.081 -6.653 1.00 0.00 N ATOM 811 CZ ARG A 54 8.835 6.877 -7.550 1.00 0.00 C ATOM 812 NH1 ARG A 54 9.764 6.376 -8.375 1.00 0.00 N ATOM 813 NH2 ARG A 54 8.505 8.173 -7.622 1.00 0.00 N ATOM 0 H ARG A 54 6.658 2.977 -3.593 1.00 0.00 H new ATOM 0 HA ARG A 54 9.445 2.593 -3.291 1.00 0.00 H new ATOM 0 HB2 ARG A 54 8.173 5.320 -3.503 1.00 0.00 H new ATOM 0 HB3 ARG A 54 9.642 4.726 -4.251 1.00 0.00 H new ATOM 0 HG2 ARG A 54 7.732 3.015 -5.323 1.00 0.00 H new ATOM 0 HG3 ARG A 54 6.828 4.509 -5.178 1.00 0.00 H new ATOM 0 HD2 ARG A 54 9.606 4.485 -6.419 1.00 0.00 H new ATOM 0 HD3 ARG A 54 8.192 4.092 -7.376 1.00 0.00 H new ATOM 0 HE ARG A 54 7.534 6.495 -6.040 1.00 0.00 H new ATOM 0 HH11 ARG A 54 10.015 5.389 -8.321 1.00 0.00 H new ATOM 0 HH12 ARG A 54 10.220 6.982 -9.058 1.00 0.00 H new ATOM 0 HH21 ARG A 54 7.798 8.555 -6.994 1.00 0.00 H new ATOM 0 HH22 ARG A 54 8.961 8.778 -8.305 1.00 0.00 H new ATOM 827 N ALA A 55 7.838 4.272 -0.962 1.00 0.00 N ATOM 828 CA ALA A 55 7.937 4.805 0.386 1.00 0.00 C ATOM 829 C ALA A 55 8.477 3.720 1.320 1.00 0.00 C ATOM 830 O ALA A 55 9.351 3.985 2.145 1.00 0.00 O ATOM 831 CB ALA A 55 6.570 5.329 0.830 1.00 0.00 C ATOM 0 H ALA A 55 6.900 4.293 -1.361 1.00 0.00 H new ATOM 0 HA ALA A 55 8.633 5.643 0.417 1.00 0.00 H new ATOM 0 HB1 ALA A 55 6.645 5.729 1.841 1.00 0.00 H new ATOM 0 HB2 ALA A 55 6.245 6.117 0.151 1.00 0.00 H new ATOM 0 HB3 ALA A 55 5.846 4.515 0.814 1.00 0.00 H new ATOM 837 N LEU A 56 7.934 2.522 1.160 1.00 0.00 N ATOM 838 CA LEU A 56 8.351 1.397 1.979 1.00 0.00 C ATOM 839 C LEU A 56 9.755 0.958 1.559 1.00 0.00 C ATOM 840 O LEU A 56 10.611 0.711 2.407 1.00 0.00 O ATOM 841 CB LEU A 56 7.312 0.275 1.916 1.00 0.00 C ATOM 842 CG LEU A 56 6.120 0.412 2.866 1.00 0.00 C ATOM 843 CD1 LEU A 56 4.890 -0.308 2.309 1.00 0.00 C ATOM 844 CD2 LEU A 56 6.480 -0.074 4.271 1.00 0.00 C ATOM 0 H LEU A 56 7.209 2.306 0.476 1.00 0.00 H new ATOM 0 HA LEU A 56 8.408 1.690 3.027 1.00 0.00 H new ATOM 0 HB2 LEU A 56 6.933 0.214 0.896 1.00 0.00 H new ATOM 0 HB3 LEU A 56 7.813 -0.670 2.127 1.00 0.00 H new ATOM 0 HG LEU A 56 5.867 1.469 2.946 1.00 0.00 H new ATOM 0 HD11 LEU A 56 4.057 -0.195 3.003 1.00 0.00 H new ATOM 0 HD12 LEU A 56 4.620 0.125 1.345 1.00 0.00 H new ATOM 0 HD13 LEU A 56 5.115 -1.367 2.181 1.00 0.00 H new ATOM 0 HD21 LEU A 56 5.616 0.034 4.926 1.00 0.00 H new ATOM 0 HD22 LEU A 56 6.774 -1.123 4.229 1.00 0.00 H new ATOM 0 HD23 LEU A 56 7.307 0.520 4.661 1.00 0.00 H new ATOM 856 N GLY A 57 9.948 0.874 0.251 1.00 0.00 N ATOM 857 CA GLY A 57 11.233 0.469 -0.292 1.00 0.00 C ATOM 858 C GLY A 57 12.351 1.388 0.204 1.00 0.00 C ATOM 859 O GLY A 57 13.148 0.999 1.057 1.00 0.00 O ATOM 0 H GLY A 57 9.235 1.080 -0.449 1.00 0.00 H new ATOM 0 HA2 GLY A 57 11.447 -0.560 -0.001 1.00 0.00 H new ATOM 0 HA3 GLY A 57 11.195 0.491 -1.381 1.00 0.00 H new ATOM 863 N LYS A 58 12.375 2.590 -0.352 1.00 0.00 N ATOM 864 CA LYS A 58 13.382 3.568 0.023 1.00 0.00 C ATOM 865 C LYS A 58 13.250 3.885 1.514 1.00 0.00 C ATOM 866 O LYS A 58 14.226 4.258 2.162 1.00 0.00 O ATOM 867 CB LYS A 58 13.293 4.802 -0.878 1.00 0.00 C ATOM 868 CG LYS A 58 13.263 4.401 -2.354 1.00 0.00 C ATOM 869 CD LYS A 58 11.963 4.858 -3.020 1.00 0.00 C ATOM 870 CE LYS A 58 12.244 5.533 -4.364 1.00 0.00 C ATOM 871 NZ LYS A 58 12.040 6.996 -4.261 1.00 0.00 N ATOM 0 H LYS A 58 11.713 2.909 -1.059 1.00 0.00 H new ATOM 0 HA LYS A 58 14.382 3.162 -0.129 1.00 0.00 H new ATOM 0 HB2 LYS A 58 12.396 5.371 -0.634 1.00 0.00 H new ATOM 0 HB3 LYS A 58 14.146 5.455 -0.692 1.00 0.00 H new ATOM 0 HG2 LYS A 58 14.115 4.841 -2.872 1.00 0.00 H new ATOM 0 HG3 LYS A 58 13.360 3.319 -2.443 1.00 0.00 H new ATOM 0 HD2 LYS A 58 11.306 4.001 -3.170 1.00 0.00 H new ATOM 0 HD3 LYS A 58 11.438 5.552 -2.363 1.00 0.00 H new ATOM 0 HE2 LYS A 58 13.267 5.323 -4.676 1.00 0.00 H new ATOM 0 HE3 LYS A 58 11.586 5.121 -5.129 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 12.235 7.439 -5.181 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 11.057 7.191 -3.984 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 12.685 7.387 -3.545 1.00 0.00 H new ATOM 885 N MET A 59 12.034 3.724 2.015 1.00 0.00 N ATOM 886 CA MET A 59 11.761 3.988 3.417 1.00 0.00 C ATOM 887 C MET A 59 11.714 5.492 3.693 1.00 0.00 C ATOM 888 O MET A 59 12.189 5.952 4.730 1.00 0.00 O ATOM 889 CB MET A 59 12.849 3.345 4.279 1.00 0.00 C ATOM 890 CG MET A 59 13.155 1.923 3.804 1.00 0.00 C ATOM 891 SD MET A 59 12.989 0.776 5.162 1.00 0.00 S ATOM 892 CE MET A 59 14.534 -0.106 5.014 1.00 0.00 C ATOM 0 H MET A 59 11.227 3.414 1.474 1.00 0.00 H new ATOM 0 HA MET A 59 10.789 3.562 3.665 1.00 0.00 H new ATOM 0 HB2 MET A 59 13.755 3.949 4.238 1.00 0.00 H new ATOM 0 HB3 MET A 59 12.528 3.323 5.320 1.00 0.00 H new ATOM 0 HG2 MET A 59 12.475 1.646 2.998 1.00 0.00 H new ATOM 0 HG3 MET A 59 14.166 1.876 3.399 1.00 0.00 H new ATOM 0 HE1 MET A 59 14.392 -1.143 5.320 1.00 0.00 H new ATOM 0 HE2 MET A 59 14.872 -0.076 3.978 1.00 0.00 H new ATOM 0 HE3 MET A 59 15.283 0.362 5.653 1.00 0.00 H new ATOM 902 N SER A 60 11.137 6.217 2.746 1.00 0.00 N ATOM 903 CA SER A 60 11.021 7.660 2.874 1.00 0.00 C ATOM 904 C SER A 60 9.685 8.023 3.524 1.00 0.00 C ATOM 905 O SER A 60 9.595 9.002 4.263 1.00 0.00 O ATOM 906 CB SER A 60 11.153 8.346 1.513 1.00 0.00 C ATOM 907 OG SER A 60 11.976 9.508 1.578 1.00 0.00 O ATOM 0 H SER A 60 10.745 5.832 1.887 1.00 0.00 H new ATOM 0 HA SER A 60 11.834 8.013 3.509 1.00 0.00 H new ATOM 0 HB2 SER A 60 11.573 7.644 0.793 1.00 0.00 H new ATOM 0 HB3 SER A 60 10.164 8.623 1.149 1.00 0.00 H new ATOM 0 HG SER A 60 11.413 10.301 1.703 1.00 0.00 H new ATOM 913 N LYS A 61 8.679 7.214 3.224 1.00 0.00 N ATOM 914 CA LYS A 61 7.351 7.438 3.770 1.00 0.00 C ATOM 915 C LYS A 61 6.726 8.661 3.096 1.00 0.00 C ATOM 916 O LYS A 61 5.691 9.157 3.538 1.00 0.00 O ATOM 917 CB LYS A 61 7.409 7.539 5.296 1.00 0.00 C ATOM 918 CG LYS A 61 8.107 6.319 5.900 1.00 0.00 C ATOM 919 CD LYS A 61 7.629 6.067 7.332 1.00 0.00 C ATOM 920 CE LYS A 61 7.589 4.569 7.641 1.00 0.00 C ATOM 921 NZ LYS A 61 8.210 4.295 8.956 1.00 0.00 N ATOM 0 H LYS A 61 8.757 6.403 2.610 1.00 0.00 H new ATOM 0 HA LYS A 61 6.703 6.589 3.554 1.00 0.00 H new ATOM 0 HB2 LYS A 61 7.940 8.446 5.584 1.00 0.00 H new ATOM 0 HB3 LYS A 61 6.399 7.620 5.697 1.00 0.00 H new ATOM 0 HG2 LYS A 61 7.908 5.441 5.286 1.00 0.00 H new ATOM 0 HG3 LYS A 61 9.186 6.473 5.895 1.00 0.00 H new ATOM 0 HD2 LYS A 61 8.294 6.569 8.035 1.00 0.00 H new ATOM 0 HD3 LYS A 61 6.637 6.497 7.469 1.00 0.00 H new ATOM 0 HE2 LYS A 61 6.557 4.219 7.639 1.00 0.00 H new ATOM 0 HE3 LYS A 61 8.114 4.017 6.862 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 8.175 3.274 9.151 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 9.201 4.611 8.945 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 7.692 4.807 9.698 1.00 0.00 H new ATOM 935 N ASN A 62 7.382 9.112 2.037 1.00 0.00 N ATOM 936 CA ASN A 62 6.904 10.268 1.297 1.00 0.00 C ATOM 937 C ASN A 62 5.654 9.880 0.505 1.00 0.00 C ATOM 938 O ASN A 62 5.583 8.786 -0.052 1.00 0.00 O ATOM 939 CB ASN A 62 7.958 10.761 0.305 1.00 0.00 C ATOM 940 CG ASN A 62 9.112 11.456 1.030 1.00 0.00 C ATOM 941 OD1 ASN A 62 9.721 10.917 1.940 1.00 0.00 O ATOM 942 ND2 ASN A 62 9.378 12.678 0.579 1.00 0.00 N ATOM 0 H ASN A 62 8.240 8.698 1.674 1.00 0.00 H new ATOM 0 HA ASN A 62 6.685 11.060 2.013 1.00 0.00 H new ATOM 0 HB2 ASN A 62 8.341 9.919 -0.272 1.00 0.00 H new ATOM 0 HB3 ASN A 62 7.501 11.452 -0.404 1.00 0.00 H new ATOM 0 HD21 ASN A 62 10.131 13.224 0.998 1.00 0.00 H new ATOM 0 HD22 ASN A 62 8.829 13.070 -0.186 1.00 0.00 H new ATOM 949 N GLU A 63 4.699 10.798 0.481 1.00 0.00 N ATOM 950 CA GLU A 63 3.455 10.565 -0.233 1.00 0.00 C ATOM 951 C GLU A 63 3.672 10.717 -1.740 1.00 0.00 C ATOM 952 O GLU A 63 2.874 10.227 -2.538 1.00 0.00 O ATOM 953 CB GLU A 63 2.355 11.508 0.259 1.00 0.00 C ATOM 954 CG GLU A 63 0.992 10.814 0.246 1.00 0.00 C ATOM 955 CD GLU A 63 0.134 11.310 -0.920 1.00 0.00 C ATOM 956 OE1 GLU A 63 -0.459 12.400 -0.764 1.00 0.00 O ATOM 957 OE2 GLU A 63 0.091 10.589 -1.940 1.00 0.00 O ATOM 0 H GLU A 63 4.762 11.704 0.944 1.00 0.00 H new ATOM 0 HA GLU A 63 3.130 9.544 -0.033 1.00 0.00 H new ATOM 0 HB2 GLU A 63 2.586 11.846 1.269 1.00 0.00 H new ATOM 0 HB3 GLU A 63 2.322 12.395 -0.374 1.00 0.00 H new ATOM 0 HG2 GLU A 63 1.130 9.736 0.167 1.00 0.00 H new ATOM 0 HG3 GLU A 63 0.476 11.002 1.187 1.00 0.00 H new ATOM 964 N GLU A 64 4.756 11.396 -2.084 1.00 0.00 N ATOM 965 CA GLU A 64 5.088 11.618 -3.481 1.00 0.00 C ATOM 966 C GLU A 64 5.927 10.457 -4.018 1.00 0.00 C ATOM 967 O GLU A 64 6.033 10.271 -5.230 1.00 0.00 O ATOM 968 CB GLU A 64 5.815 12.952 -3.667 1.00 0.00 C ATOM 969 CG GLU A 64 5.179 14.047 -2.809 1.00 0.00 C ATOM 970 CD GLU A 64 4.478 15.090 -3.682 1.00 0.00 C ATOM 971 OE1 GLU A 64 5.163 15.634 -4.576 1.00 0.00 O ATOM 972 OE2 GLU A 64 3.275 15.319 -3.436 1.00 0.00 O ATOM 0 H GLU A 64 5.416 11.800 -1.419 1.00 0.00 H new ATOM 0 HA GLU A 64 4.160 11.665 -4.052 1.00 0.00 H new ATOM 0 HB2 GLU A 64 6.865 12.838 -3.398 1.00 0.00 H new ATOM 0 HB3 GLU A 64 5.784 13.244 -4.717 1.00 0.00 H new ATOM 0 HG2 GLU A 64 4.461 13.603 -2.120 1.00 0.00 H new ATOM 0 HG3 GLU A 64 5.945 14.530 -2.203 1.00 0.00 H new ATOM 979 N ASP A 65 6.503 9.706 -3.091 1.00 0.00 N ATOM 980 CA ASP A 65 7.329 8.568 -3.456 1.00 0.00 C ATOM 981 C ASP A 65 6.431 7.364 -3.748 1.00 0.00 C ATOM 982 O ASP A 65 6.741 6.550 -4.616 1.00 0.00 O ATOM 983 CB ASP A 65 8.275 8.186 -2.316 1.00 0.00 C ATOM 984 CG ASP A 65 7.620 7.433 -1.156 1.00 0.00 C ATOM 985 OD1 ASP A 65 6.914 6.444 -1.448 1.00 0.00 O ATOM 986 OD2 ASP A 65 7.841 7.864 -0.003 1.00 0.00 O ATOM 0 H ASP A 65 6.414 9.864 -2.087 1.00 0.00 H new ATOM 0 HA ASP A 65 7.914 8.844 -4.333 1.00 0.00 H new ATOM 0 HB2 ASP A 65 9.078 7.571 -2.721 1.00 0.00 H new ATOM 0 HB3 ASP A 65 8.735 9.094 -1.926 1.00 0.00 H new ATOM 991 N VAL A 66 5.336 7.289 -3.006 1.00 0.00 N ATOM 992 CA VAL A 66 4.391 6.198 -3.174 1.00 0.00 C ATOM 993 C VAL A 66 4.065 6.036 -4.660 1.00 0.00 C ATOM 994 O VAL A 66 3.537 6.954 -5.287 1.00 0.00 O ATOM 995 CB VAL A 66 3.150 6.443 -2.313 1.00 0.00 C ATOM 996 CG1 VAL A 66 3.476 7.356 -1.129 1.00 0.00 C ATOM 997 CG2 VAL A 66 2.006 7.019 -3.151 1.00 0.00 C ATOM 0 H VAL A 66 5.082 7.966 -2.287 1.00 0.00 H new ATOM 0 HA VAL A 66 4.827 5.259 -2.832 1.00 0.00 H new ATOM 0 HB VAL A 66 2.823 5.482 -1.915 1.00 0.00 H new ATOM 0 HG11 VAL A 66 2.577 7.514 -0.533 1.00 0.00 H new ATOM 0 HG12 VAL A 66 4.244 6.890 -0.511 1.00 0.00 H new ATOM 0 HG13 VAL A 66 3.840 8.315 -1.498 1.00 0.00 H new ATOM 0 HG21 VAL A 66 1.136 7.184 -2.515 1.00 0.00 H new ATOM 0 HG22 VAL A 66 2.318 7.966 -3.591 1.00 0.00 H new ATOM 0 HG23 VAL A 66 1.748 6.318 -3.945 1.00 0.00 H new ATOM 1007 N SER A 67 4.393 4.863 -5.181 1.00 0.00 N ATOM 1008 CA SER A 67 4.142 4.569 -6.581 1.00 0.00 C ATOM 1009 C SER A 67 3.284 3.308 -6.706 1.00 0.00 C ATOM 1010 O SER A 67 3.662 2.246 -6.214 1.00 0.00 O ATOM 1011 CB SER A 67 5.452 4.398 -7.352 1.00 0.00 C ATOM 1012 OG SER A 67 5.960 3.070 -7.254 1.00 0.00 O ATOM 0 H SER A 67 4.831 4.105 -4.658 1.00 0.00 H new ATOM 0 HA SER A 67 3.604 5.411 -7.015 1.00 0.00 H new ATOM 0 HB2 SER A 67 5.291 4.648 -8.401 1.00 0.00 H new ATOM 0 HB3 SER A 67 6.193 5.099 -6.968 1.00 0.00 H new ATOM 0 HG SER A 67 6.024 2.677 -8.150 1.00 0.00 H new ATOM 1018 N PRO A 68 2.117 3.472 -7.384 1.00 0.00 N ATOM 1019 CA PRO A 68 1.203 2.359 -7.579 1.00 0.00 C ATOM 1020 C PRO A 68 1.728 1.399 -8.648 1.00 0.00 C ATOM 1021 O PRO A 68 1.016 0.494 -9.079 1.00 0.00 O ATOM 1022 CB PRO A 68 -0.122 3.001 -7.957 1.00 0.00 C ATOM 1023 CG PRO A 68 0.212 4.412 -8.412 1.00 0.00 C ATOM 1024 CD PRO A 68 1.637 4.715 -7.980 1.00 0.00 C ATOM 0 HA PRO A 68 1.093 1.744 -6.686 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -0.614 2.441 -8.752 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -0.805 3.016 -7.108 1.00 0.00 H new ATOM 0 HG2 PRO A 68 0.115 4.497 -9.494 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -0.481 5.129 -7.972 1.00 0.00 H new ATOM 0 HD2 PRO A 68 2.253 5.011 -8.829 1.00 0.00 H new ATOM 0 HD3 PRO A 68 1.667 5.535 -7.263 1.00 0.00 H new ATOM 1032 N SER A 69 2.972 1.629 -9.044 1.00 0.00 N ATOM 1033 CA SER A 69 3.601 0.795 -10.054 1.00 0.00 C ATOM 1034 C SER A 69 5.123 0.880 -9.928 1.00 0.00 C ATOM 1035 O SER A 69 5.672 1.957 -9.703 1.00 0.00 O ATOM 1036 CB SER A 69 3.162 1.207 -11.461 1.00 0.00 C ATOM 1037 OG SER A 69 2.987 0.082 -12.317 1.00 0.00 O ATOM 0 H SER A 69 3.560 2.380 -8.684 1.00 0.00 H new ATOM 0 HA SER A 69 3.285 -0.236 -9.891 1.00 0.00 H new ATOM 0 HB2 SER A 69 2.228 1.765 -11.400 1.00 0.00 H new ATOM 0 HB3 SER A 69 3.906 1.877 -11.891 1.00 0.00 H new ATOM 0 HG SER A 69 2.705 0.387 -13.205 1.00 0.00 H new ATOM 1043 N LEU A 70 5.763 -0.271 -10.079 1.00 0.00 N ATOM 1044 CA LEU A 70 7.211 -0.341 -9.984 1.00 0.00 C ATOM 1045 C LEU A 70 7.828 0.194 -11.278 1.00 0.00 C ATOM 1046 O LEU A 70 8.654 -0.474 -11.898 1.00 0.00 O ATOM 1047 CB LEU A 70 7.657 -1.761 -9.631 1.00 0.00 C ATOM 1048 CG LEU A 70 7.044 -2.885 -10.469 1.00 0.00 C ATOM 1049 CD1 LEU A 70 6.809 -2.428 -11.910 1.00 0.00 C ATOM 1050 CD2 LEU A 70 7.902 -4.149 -10.401 1.00 0.00 C ATOM 0 H LEU A 70 5.305 -1.163 -10.267 1.00 0.00 H new ATOM 0 HA LEU A 70 7.571 0.292 -9.173 1.00 0.00 H new ATOM 0 HB2 LEU A 70 8.742 -1.814 -9.726 1.00 0.00 H new ATOM 0 HB3 LEU A 70 7.420 -1.945 -8.583 1.00 0.00 H new ATOM 0 HG LEU A 70 6.070 -3.134 -10.047 1.00 0.00 H new ATOM 0 HD11 LEU A 70 6.373 -3.245 -12.484 1.00 0.00 H new ATOM 0 HD12 LEU A 70 6.128 -1.577 -11.915 1.00 0.00 H new ATOM 0 HD13 LEU A 70 7.759 -2.136 -12.358 1.00 0.00 H new ATOM 0 HD21 LEU A 70 7.444 -4.932 -11.005 1.00 0.00 H new ATOM 0 HD22 LEU A 70 8.900 -3.933 -10.783 1.00 0.00 H new ATOM 0 HD23 LEU A 70 7.975 -4.484 -9.366 1.00 0.00 H new ATOM 1062 N GLU A 71 7.404 1.394 -11.647 1.00 0.00 N ATOM 1063 CA GLU A 71 7.905 2.026 -12.855 1.00 0.00 C ATOM 1064 C GLU A 71 9.051 2.981 -12.519 1.00 0.00 C ATOM 1065 O GLU A 71 9.445 3.800 -13.348 1.00 0.00 O ATOM 1066 CB GLU A 71 6.783 2.755 -13.598 1.00 0.00 C ATOM 1067 CG GLU A 71 6.466 2.064 -14.926 1.00 0.00 C ATOM 1068 CD GLU A 71 6.975 2.890 -16.109 1.00 0.00 C ATOM 1069 OE1 GLU A 71 6.434 4.001 -16.300 1.00 0.00 O ATOM 1070 OE2 GLU A 71 7.892 2.392 -16.796 1.00 0.00 O ATOM 0 H GLU A 71 6.719 1.945 -11.130 1.00 0.00 H new ATOM 0 HA GLU A 71 8.289 1.249 -13.516 1.00 0.00 H new ATOM 0 HB2 GLU A 71 5.888 2.783 -12.976 1.00 0.00 H new ATOM 0 HB3 GLU A 71 7.076 3.789 -13.782 1.00 0.00 H new ATOM 0 HG2 GLU A 71 6.925 1.075 -14.944 1.00 0.00 H new ATOM 0 HG3 GLU A 71 5.390 1.918 -15.016 1.00 0.00 H new ATOM 1077 N GLY A 72 9.554 2.845 -11.301 1.00 0.00 N ATOM 1078 CA GLY A 72 10.648 3.686 -10.844 1.00 0.00 C ATOM 1079 C GLY A 72 11.225 3.168 -9.525 1.00 0.00 C ATOM 1080 O GLY A 72 11.744 3.942 -8.724 1.00 0.00 O ATOM 0 H GLY A 72 9.224 2.165 -10.616 1.00 0.00 H new ATOM 0 HA2 GLY A 72 11.431 3.713 -11.602 1.00 0.00 H new ATOM 0 HA3 GLY A 72 10.295 4.709 -10.714 1.00 0.00 H new ATOM 1084 N LEU A 73 11.114 1.860 -9.341 1.00 0.00 N ATOM 1085 CA LEU A 73 11.618 1.229 -8.134 1.00 0.00 C ATOM 1086 C LEU A 73 13.073 0.809 -8.352 1.00 0.00 C ATOM 1087 O LEU A 73 13.370 0.035 -9.261 1.00 0.00 O ATOM 1088 CB LEU A 73 10.703 0.079 -7.708 1.00 0.00 C ATOM 1089 CG LEU A 73 9.596 0.435 -6.715 1.00 0.00 C ATOM 1090 CD1 LEU A 73 10.047 0.179 -5.275 1.00 0.00 C ATOM 1091 CD2 LEU A 73 9.118 1.874 -6.919 1.00 0.00 C ATOM 0 H LEU A 73 10.682 1.221 -10.008 1.00 0.00 H new ATOM 0 HA LEU A 73 11.611 1.935 -7.304 1.00 0.00 H new ATOM 0 HB2 LEU A 73 10.241 -0.341 -8.601 1.00 0.00 H new ATOM 0 HB3 LEU A 73 11.319 -0.706 -7.269 1.00 0.00 H new ATOM 0 HG LEU A 73 8.744 -0.217 -6.906 1.00 0.00 H new ATOM 0 HD11 LEU A 73 9.241 0.440 -4.589 1.00 0.00 H new ATOM 0 HD12 LEU A 73 10.299 -0.875 -5.154 1.00 0.00 H new ATOM 0 HD13 LEU A 73 10.923 0.789 -5.054 1.00 0.00 H new ATOM 0 HD21 LEU A 73 8.331 2.101 -6.200 1.00 0.00 H new ATOM 0 HD22 LEU A 73 9.953 2.559 -6.772 1.00 0.00 H new ATOM 0 HD23 LEU A 73 8.729 1.988 -7.931 1.00 0.00 H new ATOM 1103 N THR A 74 13.942 1.338 -7.503 1.00 0.00 N ATOM 1104 CA THR A 74 15.359 1.028 -7.592 1.00 0.00 C ATOM 1105 C THR A 74 15.678 -0.242 -6.800 1.00 0.00 C ATOM 1106 O THR A 74 14.783 -0.859 -6.224 1.00 0.00 O ATOM 1107 CB THR A 74 16.142 2.253 -7.117 1.00 0.00 C ATOM 1108 OG1 THR A 74 17.500 1.823 -7.127 1.00 0.00 O ATOM 1109 CG2 THR A 74 15.869 2.590 -5.650 1.00 0.00 C ATOM 0 H THR A 74 13.692 1.979 -6.750 1.00 0.00 H new ATOM 0 HA THR A 74 15.653 0.815 -8.620 1.00 0.00 H new ATOM 0 HB THR A 74 15.887 3.110 -7.740 1.00 0.00 H new ATOM 0 HG1 THR A 74 18.078 2.558 -6.833 1.00 0.00 H new ATOM 0 HG21 THR A 74 16.449 3.467 -5.364 1.00 0.00 H new ATOM 0 HG22 THR A 74 14.807 2.798 -5.516 1.00 0.00 H new ATOM 0 HG23 THR A 74 16.155 1.745 -5.023 1.00 0.00 H new ATOM 1117 N GLU A 75 16.955 -0.593 -6.797 1.00 0.00 N ATOM 1118 CA GLU A 75 17.403 -1.778 -6.084 1.00 0.00 C ATOM 1119 C GLU A 75 17.213 -1.595 -4.577 1.00 0.00 C ATOM 1120 O GLU A 75 16.789 -2.519 -3.885 1.00 0.00 O ATOM 1121 CB GLU A 75 18.861 -2.100 -6.419 1.00 0.00 C ATOM 1122 CG GLU A 75 18.961 -3.367 -7.271 1.00 0.00 C ATOM 1123 CD GLU A 75 20.129 -4.243 -6.815 1.00 0.00 C ATOM 1124 OE1 GLU A 75 21.243 -4.021 -7.338 1.00 0.00 O ATOM 1125 OE2 GLU A 75 19.883 -5.116 -5.954 1.00 0.00 O ATOM 0 H GLU A 75 17.694 -0.078 -7.276 1.00 0.00 H new ATOM 0 HA GLU A 75 16.795 -2.624 -6.406 1.00 0.00 H new ATOM 0 HB2 GLU A 75 19.309 -1.262 -6.953 1.00 0.00 H new ATOM 0 HB3 GLU A 75 19.429 -2.231 -5.498 1.00 0.00 H new ATOM 0 HG2 GLU A 75 18.030 -3.930 -7.202 1.00 0.00 H new ATOM 0 HG3 GLU A 75 19.092 -3.096 -8.319 1.00 0.00 H new ATOM 1132 N LYS A 76 17.537 -0.397 -4.114 1.00 0.00 N ATOM 1133 CA LYS A 76 17.408 -0.080 -2.702 1.00 0.00 C ATOM 1134 C LYS A 76 16.006 -0.466 -2.223 1.00 0.00 C ATOM 1135 O LYS A 76 15.859 -1.160 -1.218 1.00 0.00 O ATOM 1136 CB LYS A 76 17.763 1.386 -2.446 1.00 0.00 C ATOM 1137 CG LYS A 76 16.501 2.230 -2.253 1.00 0.00 C ATOM 1138 CD LYS A 76 16.857 3.664 -1.856 1.00 0.00 C ATOM 1139 CE LYS A 76 17.245 3.744 -0.378 1.00 0.00 C ATOM 1140 NZ LYS A 76 18.581 4.361 -0.225 1.00 0.00 N ATOM 0 H LYS A 76 17.889 0.366 -4.692 1.00 0.00 H new ATOM 0 HA LYS A 76 18.118 -0.662 -2.115 1.00 0.00 H new ATOM 0 HB2 LYS A 76 18.394 1.462 -1.561 1.00 0.00 H new ATOM 0 HB3 LYS A 76 18.341 1.776 -3.284 1.00 0.00 H new ATOM 0 HG2 LYS A 76 15.920 2.238 -3.175 1.00 0.00 H new ATOM 0 HG3 LYS A 76 15.873 1.781 -1.484 1.00 0.00 H new ATOM 0 HD2 LYS A 76 17.682 4.021 -2.472 1.00 0.00 H new ATOM 0 HD3 LYS A 76 16.008 4.320 -2.049 1.00 0.00 H new ATOM 0 HE2 LYS A 76 16.504 4.328 0.167 1.00 0.00 H new ATOM 0 HE3 LYS A 76 17.247 2.745 0.058 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 18.828 4.407 0.784 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 19.288 3.788 -0.729 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 18.567 5.322 -0.623 1.00 0.00 H new ATOM 1154 N GLU A 77 15.013 0.001 -2.966 1.00 0.00 N ATOM 1155 CA GLU A 77 13.629 -0.287 -2.630 1.00 0.00 C ATOM 1156 C GLU A 77 13.240 -1.680 -3.129 1.00 0.00 C ATOM 1157 O GLU A 77 12.575 -2.434 -2.420 1.00 0.00 O ATOM 1158 CB GLU A 77 12.693 0.781 -3.200 1.00 0.00 C ATOM 1159 CG GLU A 77 13.311 1.452 -4.428 1.00 0.00 C ATOM 1160 CD GLU A 77 12.315 2.405 -5.092 1.00 0.00 C ATOM 1161 OE1 GLU A 77 11.142 2.390 -4.660 1.00 0.00 O ATOM 1162 OE2 GLU A 77 12.749 3.127 -6.015 1.00 0.00 O ATOM 0 H GLU A 77 15.139 0.576 -3.799 1.00 0.00 H new ATOM 0 HA GLU A 77 13.528 -0.270 -1.545 1.00 0.00 H new ATOM 0 HB2 GLU A 77 11.739 0.327 -3.470 1.00 0.00 H new ATOM 0 HB3 GLU A 77 12.484 1.531 -2.437 1.00 0.00 H new ATOM 0 HG2 GLU A 77 14.205 2.002 -4.135 1.00 0.00 H new ATOM 0 HG3 GLU A 77 13.624 0.692 -5.143 1.00 0.00 H new ATOM 1169 N ILE A 78 13.670 -1.979 -4.346 1.00 0.00 N ATOM 1170 CA ILE A 78 13.375 -3.268 -4.948 1.00 0.00 C ATOM 1171 C ILE A 78 13.688 -4.379 -3.944 1.00 0.00 C ATOM 1172 O ILE A 78 13.083 -5.449 -3.988 1.00 0.00 O ATOM 1173 CB ILE A 78 14.113 -3.418 -6.280 1.00 0.00 C ATOM 1174 CG1 ILE A 78 13.358 -2.710 -7.407 1.00 0.00 C ATOM 1175 CG2 ILE A 78 14.371 -4.892 -6.601 1.00 0.00 C ATOM 1176 CD1 ILE A 78 12.821 -3.719 -8.425 1.00 0.00 C ATOM 0 H ILE A 78 14.220 -1.351 -4.931 1.00 0.00 H new ATOM 0 HA ILE A 78 12.314 -3.343 -5.187 1.00 0.00 H new ATOM 0 HB ILE A 78 15.085 -2.933 -6.189 1.00 0.00 H new ATOM 0 HG12 ILE A 78 12.532 -2.134 -6.990 1.00 0.00 H new ATOM 0 HG13 ILE A 78 14.021 -2.003 -7.905 1.00 0.00 H new ATOM 0 HG21 ILE A 78 14.897 -4.971 -7.553 1.00 0.00 H new ATOM 0 HG22 ILE A 78 14.980 -5.335 -5.813 1.00 0.00 H new ATOM 0 HG23 ILE A 78 13.421 -5.422 -6.667 1.00 0.00 H new ATOM 0 HD11 ILE A 78 12.289 -3.190 -9.215 1.00 0.00 H new ATOM 0 HD12 ILE A 78 13.652 -4.277 -8.857 1.00 0.00 H new ATOM 0 HD13 ILE A 78 12.140 -4.410 -7.928 1.00 0.00 H new ATOM 1188 N ASN A 79 14.632 -4.086 -3.061 1.00 0.00 N ATOM 1189 CA ASN A 79 15.032 -5.047 -2.047 1.00 0.00 C ATOM 1190 C ASN A 79 14.117 -4.907 -0.828 1.00 0.00 C ATOM 1191 O ASN A 79 13.644 -5.903 -0.285 1.00 0.00 O ATOM 1192 CB ASN A 79 16.470 -4.799 -1.590 1.00 0.00 C ATOM 1193 CG ASN A 79 17.468 -5.500 -2.514 1.00 0.00 C ATOM 1194 OD1 ASN A 79 17.411 -6.698 -2.737 1.00 0.00 O ATOM 1195 ND2 ASN A 79 18.383 -4.689 -3.037 1.00 0.00 N ATOM 0 H ASN A 79 15.131 -3.197 -3.027 1.00 0.00 H new ATOM 0 HA ASN A 79 14.959 -6.044 -2.480 1.00 0.00 H new ATOM 0 HB2 ASN A 79 16.672 -3.728 -1.577 1.00 0.00 H new ATOM 0 HB3 ASN A 79 16.598 -5.160 -0.570 1.00 0.00 H new ATOM 0 HD21 ASN A 79 19.094 -5.061 -3.667 1.00 0.00 H new ATOM 0 HD22 ASN A 79 18.374 -3.695 -2.809 1.00 0.00 H new ATOM 1202 N THR A 80 13.897 -3.661 -0.434 1.00 0.00 N ATOM 1203 CA THR A 80 13.048 -3.377 0.710 1.00 0.00 C ATOM 1204 C THR A 80 11.573 -3.499 0.323 1.00 0.00 C ATOM 1205 O THR A 80 10.785 -4.103 1.048 1.00 0.00 O ATOM 1206 CB THR A 80 13.424 -1.994 1.246 1.00 0.00 C ATOM 1207 OG1 THR A 80 14.797 -2.122 1.605 1.00 0.00 O ATOM 1208 CG2 THR A 80 12.722 -1.668 2.566 1.00 0.00 C ATOM 0 H THR A 80 14.292 -2.837 -0.887 1.00 0.00 H new ATOM 0 HA THR A 80 13.203 -4.103 1.508 1.00 0.00 H new ATOM 0 HB THR A 80 13.172 -1.236 0.504 1.00 0.00 H new ATOM 0 HG1 THR A 80 15.359 -1.866 0.844 1.00 0.00 H new ATOM 0 HG21 THR A 80 13.023 -0.676 2.903 1.00 0.00 H new ATOM 0 HG22 THR A 80 11.642 -1.689 2.419 1.00 0.00 H new ATOM 0 HG23 THR A 80 13.000 -2.407 3.318 1.00 0.00 H new ATOM 1216 N LEU A 81 11.244 -2.914 -0.820 1.00 0.00 N ATOM 1217 CA LEU A 81 9.877 -2.949 -1.312 1.00 0.00 C ATOM 1218 C LEU A 81 9.413 -4.404 -1.413 1.00 0.00 C ATOM 1219 O LEU A 81 8.410 -4.782 -0.809 1.00 0.00 O ATOM 1220 CB LEU A 81 9.761 -2.174 -2.626 1.00 0.00 C ATOM 1221 CG LEU A 81 8.523 -2.473 -3.474 1.00 0.00 C ATOM 1222 CD1 LEU A 81 8.790 -3.622 -4.449 1.00 0.00 C ATOM 1223 CD2 LEU A 81 7.305 -2.745 -2.589 1.00 0.00 C ATOM 0 H LEU A 81 11.900 -2.413 -1.419 1.00 0.00 H new ATOM 0 HA LEU A 81 9.207 -2.448 -0.613 1.00 0.00 H new ATOM 0 HB2 LEU A 81 9.772 -1.108 -2.398 1.00 0.00 H new ATOM 0 HB3 LEU A 81 10.647 -2.381 -3.226 1.00 0.00 H new ATOM 0 HG LEU A 81 8.297 -1.590 -4.071 1.00 0.00 H new ATOM 0 HD11 LEU A 81 7.894 -3.814 -5.039 1.00 0.00 H new ATOM 0 HD12 LEU A 81 9.611 -3.352 -5.113 1.00 0.00 H new ATOM 0 HD13 LEU A 81 9.055 -4.519 -3.890 1.00 0.00 H new ATOM 0 HD21 LEU A 81 6.439 -2.955 -3.217 1.00 0.00 H new ATOM 0 HD22 LEU A 81 7.505 -3.604 -1.948 1.00 0.00 H new ATOM 0 HD23 LEU A 81 7.102 -1.871 -1.971 1.00 0.00 H new ATOM 1235 N ASN A 82 10.165 -5.180 -2.180 1.00 0.00 N ATOM 1236 CA ASN A 82 9.843 -6.584 -2.367 1.00 0.00 C ATOM 1237 C ASN A 82 9.694 -7.255 -1.000 1.00 0.00 C ATOM 1238 O ASN A 82 8.727 -7.978 -0.762 1.00 0.00 O ATOM 1239 CB ASN A 82 10.956 -7.307 -3.130 1.00 0.00 C ATOM 1240 CG ASN A 82 10.753 -7.185 -4.641 1.00 0.00 C ATOM 1241 OD1 ASN A 82 10.415 -8.135 -5.327 1.00 0.00 O ATOM 1242 ND2 ASN A 82 10.978 -5.965 -5.120 1.00 0.00 N ATOM 0 H ASN A 82 10.996 -4.863 -2.679 1.00 0.00 H new ATOM 0 HA ASN A 82 8.916 -6.645 -2.937 1.00 0.00 H new ATOM 0 HB2 ASN A 82 11.923 -6.887 -2.854 1.00 0.00 H new ATOM 0 HB3 ASN A 82 10.973 -8.359 -2.845 1.00 0.00 H new ATOM 0 HD21 ASN A 82 10.870 -5.781 -6.117 1.00 0.00 H new ATOM 0 HD22 ASN A 82 11.259 -5.214 -4.490 1.00 0.00 H new ATOM 1249 N ASP A 83 10.665 -6.993 -0.138 1.00 0.00 N ATOM 1250 CA ASP A 83 10.654 -7.563 1.198 1.00 0.00 C ATOM 1251 C ASP A 83 9.491 -6.964 1.993 1.00 0.00 C ATOM 1252 O ASP A 83 8.884 -7.644 2.819 1.00 0.00 O ATOM 1253 CB ASP A 83 11.950 -7.243 1.944 1.00 0.00 C ATOM 1254 CG ASP A 83 11.817 -7.157 3.466 1.00 0.00 C ATOM 1255 OD1 ASP A 83 11.591 -8.223 4.078 1.00 0.00 O ATOM 1256 OD2 ASP A 83 11.943 -6.026 3.983 1.00 0.00 O ATOM 0 H ASP A 83 11.465 -6.393 -0.339 1.00 0.00 H new ATOM 0 HA ASP A 83 10.550 -8.644 1.103 1.00 0.00 H new ATOM 0 HB2 ASP A 83 12.689 -8.007 1.702 1.00 0.00 H new ATOM 0 HB3 ASP A 83 12.339 -6.294 1.574 1.00 0.00 H new ATOM 1261 N TRP A 84 9.216 -5.698 1.715 1.00 0.00 N ATOM 1262 CA TRP A 84 8.137 -5.001 2.394 1.00 0.00 C ATOM 1263 C TRP A 84 6.822 -5.690 2.025 1.00 0.00 C ATOM 1264 O TRP A 84 5.942 -5.848 2.870 1.00 0.00 O ATOM 1265 CB TRP A 84 8.147 -3.510 2.051 1.00 0.00 C ATOM 1266 CG TRP A 84 8.849 -2.636 3.092 1.00 0.00 C ATOM 1267 CD1 TRP A 84 9.763 -1.678 2.884 1.00 0.00 C ATOM 1268 CD2 TRP A 84 8.657 -2.679 4.522 1.00 0.00 C ATOM 1269 NE1 TRP A 84 10.172 -1.103 4.071 1.00 0.00 N ATOM 1270 CE2 TRP A 84 9.478 -1.731 5.098 1.00 0.00 C ATOM 1271 CE3 TRP A 84 7.817 -3.493 5.303 1.00 0.00 C ATOM 1272 CZ2 TRP A 84 9.539 -1.508 6.479 1.00 0.00 C ATOM 1273 CZ3 TRP A 84 7.890 -3.257 6.681 1.00 0.00 C ATOM 1274 CH2 TRP A 84 8.711 -2.306 7.276 1.00 0.00 C ATOM 0 H TRP A 84 9.721 -5.137 1.029 1.00 0.00 H new ATOM 0 HA TRP A 84 8.265 -5.052 3.475 1.00 0.00 H new ATOM 0 HB2 TRP A 84 8.637 -3.373 1.087 1.00 0.00 H new ATOM 0 HB3 TRP A 84 7.119 -3.167 1.938 1.00 0.00 H new ATOM 0 HD1 TRP A 84 10.133 -1.392 1.911 1.00 0.00 H new ATOM 0 HE1 TRP A 84 10.857 -0.355 4.175 1.00 0.00 H new ATOM 0 HE3 TRP A 84 7.167 -4.241 4.874 1.00 0.00 H new ATOM 0 HZ2 TRP A 84 10.190 -0.760 6.906 1.00 0.00 H new ATOM 0 HZ3 TRP A 84 7.265 -3.856 7.327 1.00 0.00 H new ATOM 0 HH2 TRP A 84 8.710 -2.184 8.349 1.00 0.00 H new ATOM 1285 N GLU A 85 6.731 -6.083 0.763 1.00 0.00 N ATOM 1286 CA GLU A 85 5.538 -6.752 0.272 1.00 0.00 C ATOM 1287 C GLU A 85 5.325 -8.072 1.017 1.00 0.00 C ATOM 1288 O GLU A 85 4.207 -8.389 1.418 1.00 0.00 O ATOM 1289 CB GLU A 85 5.621 -6.982 -1.238 1.00 0.00 C ATOM 1290 CG GLU A 85 5.008 -8.330 -1.622 1.00 0.00 C ATOM 1291 CD GLU A 85 6.012 -9.466 -1.419 1.00 0.00 C ATOM 1292 OE1 GLU A 85 7.144 -9.321 -1.929 1.00 0.00 O ATOM 1293 OE2 GLU A 85 5.625 -10.455 -0.760 1.00 0.00 O ATOM 0 H GLU A 85 7.464 -5.951 0.066 1.00 0.00 H new ATOM 0 HA GLU A 85 4.680 -6.108 0.462 1.00 0.00 H new ATOM 0 HB2 GLU A 85 5.100 -6.180 -1.761 1.00 0.00 H new ATOM 0 HB3 GLU A 85 6.662 -6.948 -1.558 1.00 0.00 H new ATOM 0 HG2 GLU A 85 4.118 -8.514 -1.019 1.00 0.00 H new ATOM 0 HG3 GLU A 85 4.688 -8.305 -2.664 1.00 0.00 H new ATOM 1300 N THR A 86 6.417 -8.806 1.178 1.00 0.00 N ATOM 1301 CA THR A 86 6.364 -10.084 1.867 1.00 0.00 C ATOM 1302 C THR A 86 5.982 -9.883 3.335 1.00 0.00 C ATOM 1303 O THR A 86 5.310 -10.726 3.926 1.00 0.00 O ATOM 1304 CB THR A 86 7.714 -10.778 1.680 1.00 0.00 C ATOM 1305 OG1 THR A 86 7.590 -11.447 0.427 1.00 0.00 O ATOM 1306 CG2 THR A 86 7.935 -11.910 2.685 1.00 0.00 C ATOM 0 H THR A 86 7.343 -8.540 0.843 1.00 0.00 H new ATOM 0 HA THR A 86 5.591 -10.728 1.448 1.00 0.00 H new ATOM 0 HB THR A 86 8.515 -10.045 1.777 1.00 0.00 H new ATOM 0 HG1 THR A 86 6.681 -11.328 0.081 1.00 0.00 H new ATOM 0 HG21 THR A 86 8.908 -12.369 2.508 1.00 0.00 H new ATOM 0 HG22 THR A 86 7.902 -11.509 3.698 1.00 0.00 H new ATOM 0 HG23 THR A 86 7.153 -12.660 2.566 1.00 0.00 H new ATOM 1314 N LYS A 87 6.429 -8.761 3.881 1.00 0.00 N ATOM 1315 CA LYS A 87 6.143 -8.439 5.269 1.00 0.00 C ATOM 1316 C LYS A 87 4.675 -8.028 5.400 1.00 0.00 C ATOM 1317 O LYS A 87 3.988 -8.452 6.329 1.00 0.00 O ATOM 1318 CB LYS A 87 7.125 -7.387 5.788 1.00 0.00 C ATOM 1319 CG LYS A 87 8.566 -7.891 5.699 1.00 0.00 C ATOM 1320 CD LYS A 87 9.555 -6.724 5.667 1.00 0.00 C ATOM 1321 CE LYS A 87 10.782 -7.020 6.531 1.00 0.00 C ATOM 1322 NZ LYS A 87 10.920 -6.005 7.600 1.00 0.00 N ATOM 0 H LYS A 87 6.987 -8.064 3.387 1.00 0.00 H new ATOM 0 HA LYS A 87 6.287 -9.315 5.901 1.00 0.00 H new ATOM 0 HB2 LYS A 87 7.020 -6.470 5.209 1.00 0.00 H new ATOM 0 HB3 LYS A 87 6.886 -7.140 6.822 1.00 0.00 H new ATOM 0 HG2 LYS A 87 8.784 -8.533 6.552 1.00 0.00 H new ATOM 0 HG3 LYS A 87 8.687 -8.500 4.803 1.00 0.00 H new ATOM 0 HD2 LYS A 87 9.866 -6.535 4.640 1.00 0.00 H new ATOM 0 HD3 LYS A 87 9.065 -5.818 6.023 1.00 0.00 H new ATOM 0 HE2 LYS A 87 10.692 -8.012 6.973 1.00 0.00 H new ATOM 0 HE3 LYS A 87 11.678 -7.027 5.910 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 11.758 -6.221 8.177 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 11.027 -5.063 7.173 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 10.072 -6.017 8.202 1.00 0.00 H new ATOM 1336 N PHE A 88 4.236 -7.207 4.457 1.00 0.00 N ATOM 1337 CA PHE A 88 2.862 -6.734 4.456 1.00 0.00 C ATOM 1338 C PHE A 88 1.898 -7.852 4.054 1.00 0.00 C ATOM 1339 O PHE A 88 0.830 -7.998 4.646 1.00 0.00 O ATOM 1340 CB PHE A 88 2.778 -5.608 3.423 1.00 0.00 C ATOM 1341 CG PHE A 88 2.716 -4.207 4.035 1.00 0.00 C ATOM 1342 CD1 PHE A 88 3.583 -3.857 5.022 1.00 0.00 C ATOM 1343 CD2 PHE A 88 1.794 -3.311 3.590 1.00 0.00 C ATOM 1344 CE1 PHE A 88 3.525 -2.557 5.590 1.00 0.00 C ATOM 1345 CE2 PHE A 88 1.736 -2.011 4.157 1.00 0.00 C ATOM 1346 CZ PHE A 88 2.603 -1.661 5.145 1.00 0.00 C ATOM 0 H PHE A 88 4.808 -6.857 3.688 1.00 0.00 H new ATOM 0 HA PHE A 88 2.585 -6.393 5.453 1.00 0.00 H new ATOM 0 HB2 PHE A 88 3.644 -5.668 2.764 1.00 0.00 H new ATOM 0 HB3 PHE A 88 1.895 -5.762 2.803 1.00 0.00 H new ATOM 0 HD1 PHE A 88 4.316 -4.568 5.374 1.00 0.00 H new ATOM 0 HD2 PHE A 88 1.106 -3.589 2.805 1.00 0.00 H new ATOM 0 HE1 PHE A 88 4.213 -2.279 6.375 1.00 0.00 H new ATOM 0 HE2 PHE A 88 1.004 -1.300 3.804 1.00 0.00 H new ATOM 0 HZ PHE A 88 2.559 -0.672 5.576 1.00 0.00 H new ATOM 1356 N GLU A 89 2.310 -8.612 3.050 1.00 0.00 N ATOM 1357 CA GLU A 89 1.496 -9.713 2.562 1.00 0.00 C ATOM 1358 C GLU A 89 1.513 -10.870 3.562 1.00 0.00 C ATOM 1359 O GLU A 89 0.637 -11.733 3.534 1.00 0.00 O ATOM 1360 CB GLU A 89 1.968 -10.174 1.181 1.00 0.00 C ATOM 1361 CG GLU A 89 3.134 -11.157 1.301 1.00 0.00 C ATOM 1362 CD GLU A 89 2.637 -12.604 1.264 1.00 0.00 C ATOM 1363 OE1 GLU A 89 2.117 -12.999 0.198 1.00 0.00 O ATOM 1364 OE2 GLU A 89 2.788 -13.282 2.304 1.00 0.00 O ATOM 0 H GLU A 89 3.196 -8.487 2.561 1.00 0.00 H new ATOM 0 HA GLU A 89 0.469 -9.362 2.460 1.00 0.00 H new ATOM 0 HB2 GLU A 89 1.142 -10.647 0.649 1.00 0.00 H new ATOM 0 HB3 GLU A 89 2.275 -9.311 0.590 1.00 0.00 H new ATOM 0 HG2 GLU A 89 3.840 -10.990 0.488 1.00 0.00 H new ATOM 0 HG3 GLU A 89 3.672 -10.977 2.232 1.00 0.00 H new ATOM 1371 N ALA A 90 2.520 -10.851 4.423 1.00 0.00 N ATOM 1372 CA ALA A 90 2.663 -11.889 5.430 1.00 0.00 C ATOM 1373 C ALA A 90 1.986 -11.434 6.724 1.00 0.00 C ATOM 1374 O ALA A 90 1.751 -12.240 7.623 1.00 0.00 O ATOM 1375 CB ALA A 90 4.146 -12.207 5.629 1.00 0.00 C ATOM 0 H ALA A 90 3.245 -10.133 4.444 1.00 0.00 H new ATOM 0 HA ALA A 90 2.173 -12.808 5.106 1.00 0.00 H new ATOM 0 HB1 ALA A 90 4.253 -12.986 6.384 1.00 0.00 H new ATOM 0 HB2 ALA A 90 4.573 -12.553 4.688 1.00 0.00 H new ATOM 0 HB3 ALA A 90 4.670 -11.309 5.957 1.00 0.00 H new ATOM 1381 N LYS A 91 1.692 -10.143 6.778 1.00 0.00 N ATOM 1382 CA LYS A 91 1.046 -9.571 7.948 1.00 0.00 C ATOM 1383 C LYS A 91 -0.377 -9.145 7.582 1.00 0.00 C ATOM 1384 O LYS A 91 -1.347 -9.701 8.096 1.00 0.00 O ATOM 1385 CB LYS A 91 1.896 -8.440 8.529 1.00 0.00 C ATOM 1386 CG LYS A 91 2.930 -8.984 9.518 1.00 0.00 C ATOM 1387 CD LYS A 91 2.791 -8.309 10.884 1.00 0.00 C ATOM 1388 CE LYS A 91 3.659 -7.052 10.966 1.00 0.00 C ATOM 1389 NZ LYS A 91 4.688 -7.201 12.019 1.00 0.00 N ATOM 0 H LYS A 91 1.889 -9.477 6.031 1.00 0.00 H new ATOM 0 HA LYS A 91 0.963 -10.315 8.740 1.00 0.00 H new ATOM 0 HB2 LYS A 91 2.403 -7.910 7.723 1.00 0.00 H new ATOM 0 HB3 LYS A 91 1.252 -7.717 9.031 1.00 0.00 H new ATOM 0 HG2 LYS A 91 2.803 -10.061 9.626 1.00 0.00 H new ATOM 0 HG3 LYS A 91 3.934 -8.819 9.127 1.00 0.00 H new ATOM 0 HD2 LYS A 91 1.748 -8.047 11.059 1.00 0.00 H new ATOM 0 HD3 LYS A 91 3.081 -9.007 11.670 1.00 0.00 H new ATOM 0 HE2 LYS A 91 4.138 -6.870 10.004 1.00 0.00 H new ATOM 0 HE3 LYS A 91 3.034 -6.185 11.180 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 5.269 -6.339 12.062 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 4.225 -7.352 12.938 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 5.295 -8.016 11.799 1.00 0.00 H new ATOM 1403 N TYR A 92 -0.458 -8.163 6.697 1.00 0.00 N ATOM 1404 CA TYR A 92 -1.746 -7.656 6.256 1.00 0.00 C ATOM 1405 C TYR A 92 -2.420 -8.634 5.292 1.00 0.00 C ATOM 1406 O TYR A 92 -1.757 -9.231 4.444 1.00 0.00 O ATOM 1407 CB TYR A 92 -1.455 -6.348 5.517 1.00 0.00 C ATOM 1408 CG TYR A 92 -1.061 -5.189 6.434 1.00 0.00 C ATOM 1409 CD1 TYR A 92 -1.750 -4.976 7.611 1.00 0.00 C ATOM 1410 CD2 TYR A 92 -0.018 -4.356 6.085 1.00 0.00 C ATOM 1411 CE1 TYR A 92 -1.379 -3.885 8.475 1.00 0.00 C ATOM 1412 CE2 TYR A 92 0.353 -3.265 6.948 1.00 0.00 C ATOM 1413 CZ TYR A 92 -0.346 -3.083 8.101 1.00 0.00 C ATOM 1414 OH TYR A 92 0.003 -2.052 8.916 1.00 0.00 O ATOM 0 H TYR A 92 0.348 -7.704 6.273 1.00 0.00 H new ATOM 0 HA TYR A 92 -2.414 -7.516 7.106 1.00 0.00 H new ATOM 0 HB2 TYR A 92 -0.652 -6.519 4.800 1.00 0.00 H new ATOM 0 HB3 TYR A 92 -2.338 -6.062 4.945 1.00 0.00 H new ATOM 0 HD1 TYR A 92 -2.567 -5.627 7.884 1.00 0.00 H new ATOM 0 HD2 TYR A 92 0.521 -4.522 5.164 1.00 0.00 H new ATOM 0 HE1 TYR A 92 -1.909 -3.708 9.399 1.00 0.00 H new ATOM 0 HE2 TYR A 92 1.168 -2.606 6.686 1.00 0.00 H new ATOM 0 HH TYR A 92 0.757 -1.565 8.523 1.00 0.00 H new ATOM 1424 N PRO A 93 -3.762 -8.771 5.457 1.00 0.00 N ATOM 1425 CA PRO A 93 -4.533 -9.667 4.611 1.00 0.00 C ATOM 1426 C PRO A 93 -4.731 -9.069 3.217 1.00 0.00 C ATOM 1427 O PRO A 93 -5.066 -7.893 3.083 1.00 0.00 O ATOM 1428 CB PRO A 93 -5.840 -9.883 5.355 1.00 0.00 C ATOM 1429 CG PRO A 93 -5.944 -8.743 6.356 1.00 0.00 C ATOM 1430 CD PRO A 93 -4.580 -8.080 6.450 1.00 0.00 C ATOM 0 HA PRO A 93 -4.029 -10.617 4.435 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -6.686 -9.878 4.668 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -5.846 -10.849 5.861 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -6.697 -8.023 6.037 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -6.254 -9.118 7.331 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -4.643 -7.013 6.238 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -4.159 -8.182 7.450 1.00 0.00 H new ATOM 1438 N VAL A 94 -4.515 -9.906 2.213 1.00 0.00 N ATOM 1439 CA VAL A 94 -4.666 -9.475 0.833 1.00 0.00 C ATOM 1440 C VAL A 94 -6.112 -9.701 0.388 1.00 0.00 C ATOM 1441 O VAL A 94 -6.532 -10.840 0.184 1.00 0.00 O ATOM 1442 CB VAL A 94 -3.647 -10.195 -0.054 1.00 0.00 C ATOM 1443 CG1 VAL A 94 -3.734 -9.701 -1.499 1.00 0.00 C ATOM 1444 CG2 VAL A 94 -2.229 -10.032 0.497 1.00 0.00 C ATOM 0 H VAL A 94 -4.237 -10.881 2.327 1.00 0.00 H new ATOM 0 HA VAL A 94 -4.461 -8.408 0.741 1.00 0.00 H new ATOM 0 HB VAL A 94 -3.888 -11.258 -0.048 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -3.000 -10.228 -2.109 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -4.734 -9.892 -1.889 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -3.530 -8.631 -1.530 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -1.525 -10.553 -0.152 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -1.973 -8.973 0.535 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -2.178 -10.454 1.501 1.00 0.00 H new ATOM 1454 N VAL A 95 -6.834 -8.599 0.249 1.00 0.00 N ATOM 1455 CA VAL A 95 -8.224 -8.663 -0.169 1.00 0.00 C ATOM 1456 C VAL A 95 -8.291 -8.703 -1.697 1.00 0.00 C ATOM 1457 O VAL A 95 -9.340 -8.997 -2.268 1.00 0.00 O ATOM 1458 CB VAL A 95 -9.005 -7.494 0.433 1.00 0.00 C ATOM 1459 CG1 VAL A 95 -8.956 -7.531 1.962 1.00 0.00 C ATOM 1460 CG2 VAL A 95 -8.488 -6.156 -0.100 1.00 0.00 C ATOM 0 H VAL A 95 -6.482 -7.657 0.418 1.00 0.00 H new ATOM 0 HA VAL A 95 -8.693 -9.575 0.201 1.00 0.00 H new ATOM 0 HB VAL A 95 -10.047 -7.596 0.129 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -9.519 -6.689 2.365 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -9.394 -8.464 2.318 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -7.920 -7.467 2.294 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -9.061 -5.342 0.344 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -7.435 -6.043 0.160 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -8.599 -6.129 -1.184 1.00 0.00 H new ATOM 1470 N GLY A 96 -7.159 -8.403 -2.316 1.00 0.00 N ATOM 1471 CA GLY A 96 -7.076 -8.402 -3.766 1.00 0.00 C ATOM 1472 C GLY A 96 -5.839 -7.638 -4.244 1.00 0.00 C ATOM 1473 O GLY A 96 -5.065 -7.133 -3.432 1.00 0.00 O ATOM 0 H GLY A 96 -6.291 -8.159 -1.839 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -7.038 -9.428 -4.132 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -7.973 -7.947 -4.185 1.00 0.00 H new ATOM 1477 N ARG A 97 -5.692 -7.578 -5.559 1.00 0.00 N ATOM 1478 CA ARG A 97 -4.562 -6.885 -6.155 1.00 0.00 C ATOM 1479 C ARG A 97 -5.043 -5.664 -6.941 1.00 0.00 C ATOM 1480 O ARG A 97 -6.073 -5.719 -7.611 1.00 0.00 O ATOM 1481 CB ARG A 97 -3.779 -7.809 -7.090 1.00 0.00 C ATOM 1482 CG ARG A 97 -4.491 -7.958 -8.436 1.00 0.00 C ATOM 1483 CD ARG A 97 -3.683 -7.305 -9.559 1.00 0.00 C ATOM 1484 NE ARG A 97 -4.530 -7.141 -10.762 1.00 0.00 N ATOM 1485 CZ ARG A 97 -4.111 -6.579 -11.904 1.00 0.00 C ATOM 1486 NH1 ARG A 97 -2.855 -6.124 -12.006 1.00 0.00 N ATOM 1487 NH2 ARG A 97 -4.949 -6.472 -12.944 1.00 0.00 N ATOM 0 H ARG A 97 -6.336 -7.998 -6.229 1.00 0.00 H new ATOM 0 HA ARG A 97 -3.905 -6.565 -5.346 1.00 0.00 H new ATOM 0 HB2 ARG A 97 -2.777 -7.409 -7.247 1.00 0.00 H new ATOM 0 HB3 ARG A 97 -3.663 -8.788 -6.626 1.00 0.00 H new ATOM 0 HG2 ARG A 97 -4.640 -9.015 -8.658 1.00 0.00 H new ATOM 0 HG3 ARG A 97 -5.479 -7.501 -8.381 1.00 0.00 H new ATOM 0 HD2 ARG A 97 -3.309 -6.335 -9.232 1.00 0.00 H new ATOM 0 HD3 ARG A 97 -2.814 -7.918 -9.797 1.00 0.00 H new ATOM 0 HE ARG A 97 -5.492 -7.477 -10.719 1.00 0.00 H new ATOM 0 HH11 ARG A 97 -2.217 -6.205 -11.214 1.00 0.00 H new ATOM 0 HH12 ARG A 97 -2.537 -5.696 -12.876 1.00 0.00 H new ATOM 0 HH21 ARG A 97 -5.905 -6.818 -12.866 1.00 0.00 H new ATOM 0 HH22 ARG A 97 -4.631 -6.044 -13.814 1.00 0.00 H new ATOM 1501 N VAL A 98 -4.275 -4.590 -6.834 1.00 0.00 N ATOM 1502 CA VAL A 98 -4.610 -3.358 -7.526 1.00 0.00 C ATOM 1503 C VAL A 98 -4.955 -3.674 -8.983 1.00 0.00 C ATOM 1504 O VAL A 98 -4.665 -4.765 -9.470 1.00 0.00 O ATOM 1505 CB VAL A 98 -3.466 -2.352 -7.388 1.00 0.00 C ATOM 1506 CG1 VAL A 98 -3.444 -1.380 -8.569 1.00 0.00 C ATOM 1507 CG2 VAL A 98 -3.555 -1.598 -6.059 1.00 0.00 C ATOM 0 H VAL A 98 -3.421 -4.548 -6.278 1.00 0.00 H new ATOM 0 HA VAL A 98 -5.488 -2.895 -7.077 1.00 0.00 H new ATOM 0 HB VAL A 98 -2.529 -2.909 -7.395 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -2.621 -0.676 -8.445 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -3.309 -1.937 -9.496 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -4.386 -0.834 -8.608 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -2.730 -0.889 -5.987 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -4.501 -1.059 -6.009 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -3.497 -2.308 -5.234 1.00 0.00 H new ATOM 1517 N VAL A 99 -5.570 -2.699 -9.637 1.00 0.00 N ATOM 1518 CA VAL A 99 -5.958 -2.860 -11.028 1.00 0.00 C ATOM 1519 C VAL A 99 -5.942 -1.495 -11.719 1.00 0.00 C ATOM 1520 O VAL A 99 -4.951 -1.125 -12.347 1.00 0.00 O ATOM 1521 CB VAL A 99 -7.316 -3.558 -11.115 1.00 0.00 C ATOM 1522 CG1 VAL A 99 -7.148 -5.054 -11.393 1.00 0.00 C ATOM 1523 CG2 VAL A 99 -8.135 -3.326 -9.844 1.00 0.00 C ATOM 0 H VAL A 99 -5.809 -1.795 -9.229 1.00 0.00 H new ATOM 0 HA VAL A 99 -5.246 -3.498 -11.552 1.00 0.00 H new ATOM 0 HB VAL A 99 -7.863 -3.121 -11.951 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -8.129 -5.526 -11.450 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -6.624 -5.192 -12.339 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -6.572 -5.511 -10.589 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -9.096 -3.833 -9.933 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -7.594 -3.722 -8.985 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -8.300 -2.257 -9.708 1.00 0.00 H new ATOM 1533 N SER A 100 -7.051 -0.784 -11.579 1.00 0.00 N ATOM 1534 CA SER A 100 -7.177 0.532 -12.182 1.00 0.00 C ATOM 1535 C SER A 100 -7.672 0.402 -13.623 1.00 0.00 C ATOM 1536 O SER A 100 -7.821 1.402 -14.324 1.00 0.00 O ATOM 1537 CB SER A 100 -5.845 1.285 -12.144 1.00 0.00 C ATOM 1538 OG SER A 100 -6.031 2.693 -12.024 1.00 0.00 O ATOM 0 H SER A 100 -7.870 -1.094 -11.057 1.00 0.00 H new ATOM 0 HA SER A 100 -7.904 1.104 -11.605 1.00 0.00 H new ATOM 0 HB2 SER A 100 -5.249 0.925 -11.305 1.00 0.00 H new ATOM 0 HB3 SER A 100 -5.281 1.070 -13.051 1.00 0.00 H new ATOM 0 HG SER A 100 -5.158 3.138 -12.002 1.00 0.00 H new