USER MOD reduce.3.24.130724 H: found=0, std=0, add=601, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 602 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 87 ASN : amide:sc= 1.07 K(o=2.2,f=-10!) USER MOD Set 1.2: A 89 LYS NZ :NH3+ 176:sc= 1.13 (180deg=0) USER MOD Set 2.1: A 75 LYS NZ :NH3+ 179:sc= 2.27 (180deg=0.974) USER MOD Set 2.2: A 78 ASN : amide:sc= 1.2 K(o=3.5,f=-10!) USER MOD Set 3.1: A 64 ASN : amide:sc= -5.4! C(o=-3.3!,f=-7.5!) USER MOD Set 3.2: A 67 LYS NZ :NH3+ 146:sc= 1.58 (180deg=0) USER MOD Set 3.3: A 68 TYR OH : rot -151:sc= 0.552 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ 157:sc= 1.22 (180deg=0.353) USER MOD Single : A 15 MET CE :methyl -129:sc= -0.437 (180deg=-2.1!) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 TYR OH : rot 30:sc= 0.453 USER MOD Single : A 20 HIS : no HD1:sc= -1.27 K(o=-1.3,f=-2.2) USER MOD Single : A 39 LYS NZ :NH3+ -175:sc= 1.27 (180deg=0.922) USER MOD Single : A 47 THR OG1 : rot 176:sc= 1.22 USER MOD Single : A 48 HIS : no HD1:sc= -0.491! C(o=-0.49!,f=-5.3!) USER MOD Single : A 50 THR OG1 : rot -78:sc=0.000242 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 TYR OH : rot 178:sc= 1.29 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ -171:sc= 0.873 (180deg=0.304) USER MOD Single : A 70 LYS NZ :NH3+ 162:sc= 0.555 (180deg=0.0352) USER MOD Single : A 72 ASN : amide:sc= -0.79! C(o=-0.79!,f=-6.6!) USER MOD Single : A 73 LYS NZ :NH3+ -179:sc= 0.253 (180deg=0.25) USER MOD Single : A 86 ASN : amide:sc= -2.16! K(o=-2.2!,f=-0.57) USER MOD ----------------------------------------------------------------- ATOM 66 N PHE A 5 3.217 10.752 6.037 1.00 0.00 N ATOM 67 CA PHE A 5 3.217 9.306 5.993 1.00 0.00 C ATOM 68 C PHE A 5 4.526 8.732 6.493 1.00 0.00 C ATOM 69 O PHE A 5 5.603 9.262 6.198 1.00 0.00 O ATOM 70 CB PHE A 5 2.925 8.836 4.571 1.00 0.00 C ATOM 71 CG PHE A 5 1.597 9.312 4.021 1.00 0.00 C ATOM 72 CD1 PHE A 5 0.460 8.568 4.211 1.00 0.00 C ATOM 73 CD2 PHE A 5 1.501 10.499 3.302 1.00 0.00 C ATOM 74 CE1 PHE A 5 -0.757 8.984 3.699 1.00 0.00 C ATOM 75 CE2 PHE A 5 0.285 10.921 2.791 1.00 0.00 C ATOM 76 CZ PHE A 5 -0.847 10.156 2.992 1.00 0.00 C ATOM 0 HA PHE A 5 2.434 8.942 6.658 1.00 0.00 H new ATOM 0 HB2 PHE A 5 3.723 9.183 3.914 1.00 0.00 H new ATOM 0 HB3 PHE A 5 2.945 7.746 4.549 1.00 0.00 H new ATOM 0 HD1 PHE A 5 0.515 7.644 4.768 1.00 0.00 H new ATOM 0 HD2 PHE A 5 2.385 11.098 3.140 1.00 0.00 H new ATOM 0 HE1 PHE A 5 -1.640 8.383 3.857 1.00 0.00 H new ATOM 0 HE2 PHE A 5 0.222 11.846 2.237 1.00 0.00 H new ATOM 0 HZ PHE A 5 -1.798 10.479 2.595 1.00 0.00 H new ATOM 86 N LYS A 6 4.421 7.667 7.249 1.00 0.00 N ATOM 87 CA LYS A 6 5.548 6.996 7.836 1.00 0.00 C ATOM 88 C LYS A 6 5.554 5.568 7.345 1.00 0.00 C ATOM 89 O LYS A 6 4.485 5.001 7.092 1.00 0.00 O ATOM 90 CB LYS A 6 5.453 6.937 9.395 1.00 0.00 C ATOM 91 CG LYS A 6 5.249 8.260 10.122 1.00 0.00 C ATOM 92 CD LYS A 6 3.824 8.764 9.988 1.00 0.00 C ATOM 93 CE LYS A 6 3.659 10.105 10.628 1.00 0.00 C ATOM 94 NZ LYS A 6 2.345 10.689 10.308 1.00 0.00 N ATOM 0 H LYS A 6 3.526 7.234 7.477 1.00 0.00 H new ATOM 0 HA LYS A 6 6.445 7.547 7.555 1.00 0.00 H new ATOM 0 HB2 LYS A 6 4.630 6.273 9.660 1.00 0.00 H new ATOM 0 HB3 LYS A 6 6.367 6.479 9.774 1.00 0.00 H new ATOM 0 HG2 LYS A 6 5.493 8.136 11.177 1.00 0.00 H new ATOM 0 HG3 LYS A 6 5.937 9.005 9.721 1.00 0.00 H new ATOM 0 HD2 LYS A 6 3.556 8.827 8.933 1.00 0.00 H new ATOM 0 HD3 LYS A 6 3.139 8.052 10.449 1.00 0.00 H new ATOM 0 HE2 LYS A 6 3.765 10.011 11.709 1.00 0.00 H new ATOM 0 HE3 LYS A 6 4.450 10.773 10.287 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 2.258 11.619 10.765 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 2.256 10.800 9.278 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 1.592 10.061 10.655 1.00 0.00 H new ATOM 108 N PRO A 7 6.735 4.961 7.174 1.00 0.00 N ATOM 109 CA PRO A 7 6.821 3.548 6.853 1.00 0.00 C ATOM 110 C PRO A 7 6.102 2.741 7.930 1.00 0.00 C ATOM 111 O PRO A 7 6.445 2.821 9.114 1.00 0.00 O ATOM 112 CB PRO A 7 8.327 3.260 6.886 1.00 0.00 C ATOM 113 CG PRO A 7 8.970 4.577 6.643 1.00 0.00 C ATOM 114 CD PRO A 7 8.059 5.597 7.260 1.00 0.00 C ATOM 0 HA PRO A 7 6.366 3.289 5.897 1.00 0.00 H new ATOM 0 HB2 PRO A 7 8.629 2.843 7.847 1.00 0.00 H new ATOM 0 HB3 PRO A 7 8.608 2.535 6.122 1.00 0.00 H new ATOM 0 HG2 PRO A 7 9.962 4.616 7.092 1.00 0.00 H new ATOM 0 HG3 PRO A 7 9.096 4.760 5.576 1.00 0.00 H new ATOM 0 HD2 PRO A 7 8.336 5.812 8.292 1.00 0.00 H new ATOM 0 HD3 PRO A 7 8.088 6.542 6.718 1.00 0.00 H new ATOM 122 N GLY A 8 5.118 1.993 7.526 1.00 0.00 N ATOM 123 CA GLY A 8 4.345 1.249 8.456 1.00 0.00 C ATOM 124 C GLY A 8 2.880 1.659 8.517 1.00 0.00 C ATOM 125 O GLY A 8 2.043 0.819 8.867 1.00 0.00 O ATOM 0 H GLY A 8 4.836 1.887 6.551 1.00 0.00 H new ATOM 0 HA2 GLY A 8 4.405 0.192 8.198 1.00 0.00 H new ATOM 0 HA3 GLY A 8 4.784 1.360 9.448 1.00 0.00 H new ATOM 129 N ASP A 9 2.527 2.907 8.160 1.00 0.00 N ATOM 130 CA ASP A 9 1.105 3.275 8.241 1.00 0.00 C ATOM 131 C ASP A 9 0.282 2.772 7.073 1.00 0.00 C ATOM 132 O ASP A 9 0.788 2.562 5.957 1.00 0.00 O ATOM 133 CB ASP A 9 0.764 4.755 8.632 1.00 0.00 C ATOM 134 CG ASP A 9 1.158 5.867 7.670 1.00 0.00 C ATOM 135 OD1 ASP A 9 0.394 6.133 6.724 1.00 0.00 O ATOM 136 OD2 ASP A 9 2.126 6.570 7.944 1.00 0.00 O ATOM 0 H ASP A 9 3.161 3.636 7.833 1.00 0.00 H new ATOM 0 HA ASP A 9 0.789 2.721 9.125 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -0.313 4.817 8.788 1.00 0.00 H new ATOM 0 HB3 ASP A 9 1.238 4.963 9.591 1.00 0.00 H new ATOM 141 N LEU A 10 -0.981 2.510 7.362 1.00 0.00 N ATOM 142 CA LEU A 10 -1.911 1.938 6.411 1.00 0.00 C ATOM 143 C LEU A 10 -2.556 3.006 5.590 1.00 0.00 C ATOM 144 O LEU A 10 -3.138 3.971 6.138 1.00 0.00 O ATOM 145 CB LEU A 10 -2.980 1.133 7.138 1.00 0.00 C ATOM 146 CG LEU A 10 -2.462 -0.006 8.007 1.00 0.00 C ATOM 147 CD1 LEU A 10 -3.614 -0.765 8.640 1.00 0.00 C ATOM 148 CD2 LEU A 10 -1.576 -0.930 7.187 1.00 0.00 C ATOM 0 H LEU A 10 -1.392 2.692 8.277 1.00 0.00 H new ATOM 0 HA LEU A 10 -1.353 1.278 5.747 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -3.558 1.812 7.765 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -3.666 0.720 6.398 1.00 0.00 H new ATOM 0 HG LEU A 10 -1.861 0.413 8.814 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -3.222 -1.574 9.256 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -4.199 -0.087 9.261 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -4.250 -1.180 7.858 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -1.212 -1.740 7.819 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -2.151 -1.346 6.360 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -0.729 -0.368 6.794 1.00 0.00 H new ATOM 160 N ILE A 11 -2.507 2.832 4.293 1.00 0.00 N ATOM 161 CA ILE A 11 -2.998 3.810 3.373 1.00 0.00 C ATOM 162 C ILE A 11 -3.702 3.170 2.162 1.00 0.00 C ATOM 163 O ILE A 11 -3.885 1.956 2.086 1.00 0.00 O ATOM 164 CB ILE A 11 -1.833 4.781 2.909 1.00 0.00 C ATOM 165 CG1 ILE A 11 -0.622 4.033 2.313 1.00 0.00 C ATOM 166 CG2 ILE A 11 -1.366 5.654 4.056 1.00 0.00 C ATOM 167 CD1 ILE A 11 -0.761 3.560 0.886 1.00 0.00 C ATOM 0 H ILE A 11 -2.121 1.999 3.849 1.00 0.00 H new ATOM 0 HA ILE A 11 -3.749 4.399 3.899 1.00 0.00 H new ATOM 0 HB ILE A 11 -2.259 5.400 2.120 1.00 0.00 H new ATOM 0 HG12 ILE A 11 0.247 4.688 2.373 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -0.412 3.167 2.941 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -0.567 6.310 3.712 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -2.200 6.256 4.418 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -0.995 5.024 4.865 1.00 0.00 H new ATOM 0 HD11 ILE A 11 0.153 3.050 0.581 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -1.603 2.872 0.811 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -0.933 4.416 0.234 1.00 0.00 H new ATOM 179 N PHE A 12 -4.114 4.001 1.274 1.00 0.00 N ATOM 180 CA PHE A 12 -4.650 3.624 0.013 1.00 0.00 C ATOM 181 C PHE A 12 -3.698 4.094 -1.028 1.00 0.00 C ATOM 182 O PHE A 12 -3.290 5.252 -1.025 1.00 0.00 O ATOM 183 CB PHE A 12 -6.040 4.206 -0.241 1.00 0.00 C ATOM 184 CG PHE A 12 -7.145 3.501 0.480 1.00 0.00 C ATOM 185 CD1 PHE A 12 -7.627 2.294 -0.001 1.00 0.00 C ATOM 186 CD2 PHE A 12 -7.710 4.035 1.618 1.00 0.00 C ATOM 187 CE1 PHE A 12 -8.648 1.634 0.639 1.00 0.00 C ATOM 188 CE2 PHE A 12 -8.737 3.378 2.263 1.00 0.00 C ATOM 189 CZ PHE A 12 -9.206 2.177 1.773 1.00 0.00 C ATOM 0 H PHE A 12 -4.086 5.011 1.412 1.00 0.00 H new ATOM 0 HA PHE A 12 -4.771 2.541 -0.011 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -6.041 5.255 0.054 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -6.243 4.176 -1.311 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -7.193 1.866 -0.893 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -7.346 4.974 2.007 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -9.011 0.693 0.253 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -9.175 3.805 3.153 1.00 0.00 H new ATOM 0 HZ PHE A 12 -10.010 1.664 2.279 1.00 0.00 H new ATOM 199 N ALA A 13 -3.331 3.210 -1.869 1.00 0.00 N ATOM 200 CA ALA A 13 -2.363 3.446 -2.867 1.00 0.00 C ATOM 201 C ALA A 13 -3.023 3.513 -4.200 1.00 0.00 C ATOM 202 O ALA A 13 -3.679 2.573 -4.631 1.00 0.00 O ATOM 203 CB ALA A 13 -1.369 2.338 -2.835 1.00 0.00 C ATOM 0 H ALA A 13 -3.711 2.263 -1.883 1.00 0.00 H new ATOM 0 HA ALA A 13 -1.857 4.394 -2.685 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -0.613 2.506 -3.602 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -0.892 2.305 -1.856 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -1.874 1.391 -3.024 1.00 0.00 H new ATOM 209 N LYS A 14 -2.874 4.608 -4.826 1.00 0.00 N ATOM 210 CA LYS A 14 -3.472 4.852 -6.073 1.00 0.00 C ATOM 211 C LYS A 14 -2.416 4.884 -7.180 1.00 0.00 C ATOM 212 O LYS A 14 -1.444 5.636 -7.115 1.00 0.00 O ATOM 213 CB LYS A 14 -4.279 6.150 -5.935 1.00 0.00 C ATOM 214 CG LYS A 14 -4.992 6.601 -7.169 1.00 0.00 C ATOM 215 CD LYS A 14 -4.044 7.288 -8.095 1.00 0.00 C ATOM 216 CE LYS A 14 -3.719 8.711 -7.625 1.00 0.00 C ATOM 217 NZ LYS A 14 -2.536 9.302 -8.314 1.00 0.00 N ATOM 0 H LYS A 14 -2.315 5.385 -4.475 1.00 0.00 H new ATOM 0 HA LYS A 14 -4.153 4.053 -6.366 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -5.013 6.018 -5.141 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -3.604 6.944 -5.616 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -5.443 5.744 -7.670 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -5.804 7.278 -6.901 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -3.123 6.710 -8.167 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -4.476 7.325 -9.095 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -4.586 9.349 -7.794 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -3.537 8.699 -6.550 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -2.589 10.340 -8.266 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -1.665 8.978 -7.847 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -2.528 9.001 -9.310 1.00 0.00 H new ATOM 231 N MET A 15 -2.641 4.084 -8.201 1.00 0.00 N ATOM 232 CA MET A 15 -1.760 3.991 -9.348 1.00 0.00 C ATOM 233 C MET A 15 -2.519 4.353 -10.594 1.00 0.00 C ATOM 234 O MET A 15 -3.743 4.314 -10.606 1.00 0.00 O ATOM 235 CB MET A 15 -1.150 2.596 -9.517 1.00 0.00 C ATOM 236 CG MET A 15 -0.273 2.162 -8.379 1.00 0.00 C ATOM 237 SD MET A 15 0.684 0.680 -8.758 1.00 0.00 S ATOM 238 CE MET A 15 -0.621 -0.515 -9.027 1.00 0.00 C ATOM 0 H MET A 15 -3.454 3.470 -8.259 1.00 0.00 H new ATOM 0 HA MET A 15 -0.939 4.687 -9.178 1.00 0.00 H new ATOM 0 HB2 MET A 15 -1.956 1.872 -9.635 1.00 0.00 H new ATOM 0 HB3 MET A 15 -0.567 2.577 -10.437 1.00 0.00 H new ATOM 0 HG2 MET A 15 0.408 2.973 -8.122 1.00 0.00 H new ATOM 0 HG3 MET A 15 -0.891 1.975 -7.501 1.00 0.00 H new ATOM 0 HE1 MET A 15 -0.430 -1.404 -8.425 1.00 0.00 H new ATOM 0 HE2 MET A 15 -1.578 -0.080 -8.739 1.00 0.00 H new ATOM 0 HE3 MET A 15 -0.651 -0.790 -10.081 1.00 0.00 H new ATOM 248 N LYS A 16 -1.808 4.737 -11.622 1.00 0.00 N ATOM 249 CA LYS A 16 -2.434 5.099 -12.877 1.00 0.00 C ATOM 250 C LYS A 16 -3.030 3.848 -13.521 1.00 0.00 C ATOM 251 O LYS A 16 -2.305 2.914 -13.844 1.00 0.00 O ATOM 252 CB LYS A 16 -1.401 5.744 -13.817 1.00 0.00 C ATOM 253 CG LYS A 16 -1.954 6.169 -15.173 1.00 0.00 C ATOM 254 CD LYS A 16 -0.863 6.755 -16.056 1.00 0.00 C ATOM 255 CE LYS A 16 -1.405 7.155 -17.422 1.00 0.00 C ATOM 256 NZ LYS A 16 -0.341 7.715 -18.300 1.00 0.00 N ATOM 0 H LYS A 16 -0.791 4.809 -11.619 1.00 0.00 H new ATOM 0 HA LYS A 16 -3.229 5.822 -12.692 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -0.976 6.618 -13.323 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -0.585 5.039 -13.977 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -2.404 5.310 -15.670 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -2.745 6.906 -15.031 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -0.427 7.626 -15.567 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -0.063 6.025 -16.180 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -1.853 6.286 -17.904 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -2.197 7.893 -17.296 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -0.751 7.975 -19.220 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 0.069 8.560 -17.853 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 0.403 7.002 -18.441 1.00 0.00 H new ATOM 270 N GLY A 17 -4.337 3.840 -13.677 1.00 0.00 N ATOM 271 CA GLY A 17 -5.011 2.704 -14.269 1.00 0.00 C ATOM 272 C GLY A 17 -5.573 1.780 -13.211 1.00 0.00 C ATOM 273 O GLY A 17 -6.234 0.796 -13.516 1.00 0.00 O ATOM 0 H GLY A 17 -4.953 4.606 -13.403 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -5.817 3.053 -14.914 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -4.313 2.154 -14.901 1.00 0.00 H new ATOM 277 N TYR A 18 -5.313 2.110 -11.967 1.00 0.00 N ATOM 278 CA TYR A 18 -5.761 1.324 -10.853 1.00 0.00 C ATOM 279 C TYR A 18 -6.598 2.155 -9.911 1.00 0.00 C ATOM 280 O TYR A 18 -6.420 3.373 -9.816 1.00 0.00 O ATOM 281 CB TYR A 18 -4.570 0.755 -10.075 1.00 0.00 C ATOM 282 CG TYR A 18 -3.864 -0.405 -10.731 1.00 0.00 C ATOM 283 CD1 TYR A 18 -2.907 -0.217 -11.723 1.00 0.00 C ATOM 284 CD2 TYR A 18 -4.153 -1.699 -10.338 1.00 0.00 C ATOM 285 CE1 TYR A 18 -2.266 -1.299 -12.302 1.00 0.00 C ATOM 286 CE2 TYR A 18 -3.522 -2.775 -10.903 1.00 0.00 C ATOM 287 CZ TYR A 18 -2.583 -2.579 -11.884 1.00 0.00 C ATOM 288 OH TYR A 18 -1.950 -3.669 -12.440 1.00 0.00 O ATOM 0 H TYR A 18 -4.780 2.939 -11.703 1.00 0.00 H new ATOM 0 HA TYR A 18 -6.362 0.507 -11.253 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -3.847 1.555 -9.915 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -4.918 0.438 -9.092 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -2.661 0.784 -12.045 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -4.893 -1.865 -9.569 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -1.525 -1.145 -13.073 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -3.763 -3.776 -10.577 1.00 0.00 H new ATOM 0 HH TYR A 18 -1.045 -3.415 -12.717 1.00 0.00 H new ATOM 298 N PRO A 19 -7.546 1.518 -9.220 1.00 0.00 N ATOM 299 CA PRO A 19 -8.307 2.170 -8.176 1.00 0.00 C ATOM 300 C PRO A 19 -7.435 2.323 -6.928 1.00 0.00 C ATOM 301 O PRO A 19 -6.319 1.787 -6.876 1.00 0.00 O ATOM 302 CB PRO A 19 -9.456 1.190 -7.907 1.00 0.00 C ATOM 303 CG PRO A 19 -8.909 -0.140 -8.284 1.00 0.00 C ATOM 304 CD PRO A 19 -7.956 0.110 -9.416 1.00 0.00 C ATOM 0 HA PRO A 19 -8.656 3.166 -8.447 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -9.759 1.212 -6.860 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -10.337 1.439 -8.499 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -8.399 -0.605 -7.440 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -9.707 -0.818 -8.588 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -7.102 -0.566 -9.378 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -8.435 -0.037 -10.384 1.00 0.00 H new ATOM 312 N HIS A 20 -7.915 3.061 -5.956 1.00 0.00 N ATOM 313 CA HIS A 20 -7.186 3.232 -4.716 1.00 0.00 C ATOM 314 C HIS A 20 -7.138 1.867 -3.985 1.00 0.00 C ATOM 315 O HIS A 20 -8.166 1.362 -3.547 1.00 0.00 O ATOM 316 CB HIS A 20 -7.898 4.277 -3.841 1.00 0.00 C ATOM 317 CG HIS A 20 -7.882 5.677 -4.397 1.00 0.00 C ATOM 318 ND1 HIS A 20 -8.711 6.133 -5.413 1.00 0.00 N ATOM 319 CD2 HIS A 20 -7.111 6.727 -4.059 1.00 0.00 C ATOM 320 CE1 HIS A 20 -8.407 7.414 -5.650 1.00 0.00 C ATOM 321 NE2 HIS A 20 -7.448 7.823 -4.856 1.00 0.00 N ATOM 0 H HIS A 20 -8.807 3.554 -5.997 1.00 0.00 H new ATOM 0 HA HIS A 20 -6.172 3.578 -4.916 1.00 0.00 H new ATOM 0 HB2 HIS A 20 -8.934 3.968 -3.700 1.00 0.00 H new ATOM 0 HB3 HIS A 20 -7.431 4.286 -2.856 1.00 0.00 H new ATOM 0 HD2 HIS A 20 -6.351 6.723 -3.292 1.00 0.00 H new ATOM 0 HE1 HIS A 20 -8.888 8.029 -6.396 1.00 0.00 H new ATOM 0 HE2 HIS A 20 -7.032 8.754 -4.826 1.00 0.00 H new ATOM 329 N TRP A 21 -5.966 1.286 -3.900 1.00 0.00 N ATOM 330 CA TRP A 21 -5.767 -0.055 -3.353 1.00 0.00 C ATOM 331 C TRP A 21 -5.342 0.044 -1.892 1.00 0.00 C ATOM 332 O TRP A 21 -4.554 0.908 -1.555 1.00 0.00 O ATOM 333 CB TRP A 21 -4.635 -0.725 -4.152 1.00 0.00 C ATOM 334 CG TRP A 21 -4.509 -2.213 -3.981 1.00 0.00 C ATOM 335 CD1 TRP A 21 -4.027 -2.912 -2.903 1.00 0.00 C ATOM 336 CD2 TRP A 21 -4.836 -3.182 -4.956 1.00 0.00 C ATOM 337 NE1 TRP A 21 -4.084 -4.261 -3.163 1.00 0.00 N ATOM 338 CE2 TRP A 21 -4.566 -4.442 -4.409 1.00 0.00 C ATOM 339 CE3 TRP A 21 -5.347 -3.104 -6.245 1.00 0.00 C ATOM 340 CZ2 TRP A 21 -4.787 -5.601 -5.098 1.00 0.00 C ATOM 341 CZ3 TRP A 21 -5.565 -4.266 -6.930 1.00 0.00 C ATOM 342 CH2 TRP A 21 -5.286 -5.504 -6.351 1.00 0.00 C ATOM 0 H TRP A 21 -5.102 1.730 -4.211 1.00 0.00 H new ATOM 0 HA TRP A 21 -6.690 -0.630 -3.421 1.00 0.00 H new ATOM 0 HB2 TRP A 21 -4.786 -0.511 -5.210 1.00 0.00 H new ATOM 0 HB3 TRP A 21 -3.690 -0.263 -3.865 1.00 0.00 H new ATOM 0 HD1 TRP A 21 -3.659 -2.470 -1.989 1.00 0.00 H new ATOM 0 HE1 TRP A 21 -3.807 -5.002 -2.519 1.00 0.00 H new ATOM 0 HE3 TRP A 21 -5.567 -2.147 -6.695 1.00 0.00 H new ATOM 0 HZ2 TRP A 21 -4.570 -6.563 -4.657 1.00 0.00 H new ATOM 0 HZ3 TRP A 21 -5.959 -4.225 -7.935 1.00 0.00 H new ATOM 0 HH2 TRP A 21 -5.473 -6.405 -6.916 1.00 0.00 H new ATOM 353 N PRO A 22 -5.852 -0.809 -1.004 1.00 0.00 N ATOM 354 CA PRO A 22 -5.409 -0.810 0.384 1.00 0.00 C ATOM 355 C PRO A 22 -3.957 -1.320 0.477 1.00 0.00 C ATOM 356 O PRO A 22 -3.654 -2.472 0.129 1.00 0.00 O ATOM 357 CB PRO A 22 -6.375 -1.777 1.078 1.00 0.00 C ATOM 358 CG PRO A 22 -6.970 -2.617 -0.005 1.00 0.00 C ATOM 359 CD PRO A 22 -6.886 -1.823 -1.276 1.00 0.00 C ATOM 0 HA PRO A 22 -5.417 0.181 0.837 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -5.851 -2.395 1.807 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -7.149 -1.233 1.619 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -6.430 -3.559 -0.103 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -8.006 -2.866 0.226 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -6.612 -2.454 -2.122 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -7.842 -1.360 -1.520 1.00 0.00 H new ATOM 367 N ALA A 23 -3.072 -0.478 0.943 1.00 0.00 N ATOM 368 CA ALA A 23 -1.681 -0.793 0.971 1.00 0.00 C ATOM 369 C ALA A 23 -1.019 -0.163 2.175 1.00 0.00 C ATOM 370 O ALA A 23 -1.606 0.658 2.860 1.00 0.00 O ATOM 371 CB ALA A 23 -1.037 -0.313 -0.306 1.00 0.00 C ATOM 0 H ALA A 23 -3.303 0.444 1.312 1.00 0.00 H new ATOM 0 HA ALA A 23 -1.556 -1.873 1.050 1.00 0.00 H new ATOM 0 HB1 ALA A 23 0.026 -0.552 -0.289 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -1.506 -0.806 -1.158 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -1.165 0.766 -0.395 1.00 0.00 H new ATOM 377 N ARG A 24 0.165 -0.573 2.460 1.00 0.00 N ATOM 378 CA ARG A 24 0.890 -0.024 3.573 1.00 0.00 C ATOM 379 C ARG A 24 2.053 0.771 3.038 1.00 0.00 C ATOM 380 O ARG A 24 2.608 0.413 1.982 1.00 0.00 O ATOM 381 CB ARG A 24 1.436 -1.157 4.446 1.00 0.00 C ATOM 382 CG ARG A 24 2.089 -0.701 5.740 1.00 0.00 C ATOM 383 CD ARG A 24 2.854 -1.829 6.410 1.00 0.00 C ATOM 384 NE ARG A 24 3.982 -2.266 5.577 1.00 0.00 N ATOM 385 CZ ARG A 24 5.269 -2.293 5.965 1.00 0.00 C ATOM 386 NH1 ARG A 24 5.621 -1.987 7.211 1.00 0.00 N ATOM 387 NH2 ARG A 24 6.202 -2.623 5.110 1.00 0.00 N ATOM 0 H ARG A 24 0.665 -1.293 1.939 1.00 0.00 H new ATOM 0 HA ARG A 24 0.228 0.607 4.166 1.00 0.00 H new ATOM 0 HB2 ARG A 24 0.620 -1.838 4.687 1.00 0.00 H new ATOM 0 HB3 ARG A 24 2.165 -1.725 3.867 1.00 0.00 H new ATOM 0 HG2 ARG A 24 2.768 0.127 5.533 1.00 0.00 H new ATOM 0 HG3 ARG A 24 1.325 -0.325 6.420 1.00 0.00 H new ATOM 0 HD2 ARG A 24 3.221 -1.498 7.381 1.00 0.00 H new ATOM 0 HD3 ARG A 24 2.184 -2.670 6.592 1.00 0.00 H new ATOM 0 HE ARG A 24 3.772 -2.574 4.628 1.00 0.00 H new ATOM 0 HH11 ARG A 24 4.909 -1.726 7.893 1.00 0.00 H new ATOM 0 HH12 ARG A 24 6.603 -2.014 7.485 1.00 0.00 H new ATOM 0 HH21 ARG A 24 5.953 -2.860 4.150 1.00 0.00 H new ATOM 0 HH22 ARG A 24 7.179 -2.644 5.404 1.00 0.00 H new ATOM 401 N VAL A 25 2.400 1.857 3.704 1.00 0.00 N ATOM 402 CA VAL A 25 3.627 2.542 3.382 1.00 0.00 C ATOM 403 C VAL A 25 4.727 1.595 3.822 1.00 0.00 C ATOM 404 O VAL A 25 4.765 1.189 4.980 1.00 0.00 O ATOM 405 CB VAL A 25 3.768 3.898 4.123 1.00 0.00 C ATOM 406 CG1 VAL A 25 5.039 4.622 3.686 1.00 0.00 C ATOM 407 CG2 VAL A 25 2.556 4.778 3.879 1.00 0.00 C ATOM 0 H VAL A 25 1.856 2.275 4.459 1.00 0.00 H new ATOM 0 HA VAL A 25 3.664 2.784 2.320 1.00 0.00 H new ATOM 0 HB VAL A 25 3.834 3.690 5.191 1.00 0.00 H new ATOM 0 HG11 VAL A 25 5.119 5.570 4.217 1.00 0.00 H new ATOM 0 HG12 VAL A 25 5.907 4.004 3.915 1.00 0.00 H new ATOM 0 HG13 VAL A 25 5.000 4.810 2.613 1.00 0.00 H new ATOM 0 HG21 VAL A 25 2.679 5.722 4.409 1.00 0.00 H new ATOM 0 HG22 VAL A 25 2.456 4.972 2.811 1.00 0.00 H new ATOM 0 HG23 VAL A 25 1.661 4.273 4.241 1.00 0.00 H new ATOM 417 N ASP A 26 5.553 1.212 2.921 1.00 0.00 N ATOM 418 CA ASP A 26 6.523 0.174 3.167 1.00 0.00 C ATOM 419 C ASP A 26 7.820 0.796 3.670 1.00 0.00 C ATOM 420 O ASP A 26 7.939 2.032 3.732 1.00 0.00 O ATOM 421 CB ASP A 26 6.748 -0.594 1.861 1.00 0.00 C ATOM 422 CG ASP A 26 7.431 -1.914 2.038 1.00 0.00 C ATOM 423 OD1 ASP A 26 6.810 -2.852 2.570 1.00 0.00 O ATOM 424 OD2 ASP A 26 8.591 -2.049 1.664 1.00 0.00 O ATOM 0 H ASP A 26 5.588 1.604 1.980 1.00 0.00 H new ATOM 0 HA ASP A 26 6.165 -0.516 3.931 1.00 0.00 H new ATOM 0 HB2 ASP A 26 5.785 -0.757 1.378 1.00 0.00 H new ATOM 0 HB3 ASP A 26 7.342 0.023 1.187 1.00 0.00 H new ATOM 429 N GLU A 27 8.774 -0.015 4.023 1.00 0.00 N ATOM 430 CA GLU A 27 10.027 0.473 4.495 1.00 0.00 C ATOM 431 C GLU A 27 11.144 0.027 3.573 1.00 0.00 C ATOM 432 O GLU A 27 11.312 -1.169 3.294 1.00 0.00 O ATOM 433 CB GLU A 27 10.317 0.126 5.991 1.00 0.00 C ATOM 434 CG GLU A 27 10.402 -1.362 6.383 1.00 0.00 C ATOM 435 CD GLU A 27 9.084 -2.092 6.321 1.00 0.00 C ATOM 436 OE1 GLU A 27 8.261 -1.951 7.236 1.00 0.00 O ATOM 437 OE2 GLU A 27 8.836 -2.815 5.339 1.00 0.00 O ATOM 0 H GLU A 27 8.701 -1.032 3.990 1.00 0.00 H new ATOM 0 HA GLU A 27 9.972 1.561 4.473 1.00 0.00 H new ATOM 0 HB2 GLU A 27 11.259 0.599 6.267 1.00 0.00 H new ATOM 0 HB3 GLU A 27 9.539 0.588 6.598 1.00 0.00 H new ATOM 0 HG2 GLU A 27 11.112 -1.860 5.723 1.00 0.00 H new ATOM 0 HG3 GLU A 27 10.800 -1.438 7.395 1.00 0.00 H new ATOM 597 N LYS A 39 9.155 9.723 -3.653 1.00 0.00 N ATOM 598 CA LYS A 39 7.992 8.952 -3.417 1.00 0.00 C ATOM 599 C LYS A 39 8.315 7.897 -2.398 1.00 0.00 C ATOM 600 O LYS A 39 9.501 7.573 -2.182 1.00 0.00 O ATOM 601 CB LYS A 39 7.446 8.312 -4.698 1.00 0.00 C ATOM 602 CG LYS A 39 6.920 9.308 -5.720 1.00 0.00 C ATOM 603 CD LYS A 39 5.975 8.631 -6.692 1.00 0.00 C ATOM 604 CE LYS A 39 5.259 9.641 -7.569 1.00 0.00 C ATOM 605 NZ LYS A 39 4.069 9.049 -8.247 1.00 0.00 N ATOM 0 HA LYS A 39 7.210 9.613 -3.044 1.00 0.00 H new ATOM 0 HB2 LYS A 39 8.236 7.719 -5.159 1.00 0.00 H new ATOM 0 HB3 LYS A 39 6.644 7.623 -4.433 1.00 0.00 H new ATOM 0 HG2 LYS A 39 6.404 10.121 -5.210 1.00 0.00 H new ATOM 0 HG3 LYS A 39 7.753 9.752 -6.265 1.00 0.00 H new ATOM 0 HD2 LYS A 39 6.533 7.935 -7.318 1.00 0.00 H new ATOM 0 HD3 LYS A 39 5.242 8.044 -6.139 1.00 0.00 H new ATOM 0 HE2 LYS A 39 4.945 10.490 -6.962 1.00 0.00 H new ATOM 0 HE3 LYS A 39 5.950 10.024 -8.319 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 3.659 9.746 -8.900 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 4.358 8.204 -8.779 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 3.360 8.784 -7.534 1.00 0.00 H new ATOM 619 N LEU A 40 7.295 7.359 -1.817 1.00 0.00 N ATOM 620 CA LEU A 40 7.404 6.394 -0.754 1.00 0.00 C ATOM 621 C LEU A 40 7.199 4.998 -1.321 1.00 0.00 C ATOM 622 O LEU A 40 6.511 4.832 -2.335 1.00 0.00 O ATOM 623 CB LEU A 40 6.316 6.676 0.297 1.00 0.00 C ATOM 624 CG LEU A 40 6.347 8.056 0.972 1.00 0.00 C ATOM 625 CD1 LEU A 40 5.107 8.251 1.809 1.00 0.00 C ATOM 626 CD2 LEU A 40 7.577 8.206 1.853 1.00 0.00 C ATOM 0 H LEU A 40 6.332 7.579 -2.070 1.00 0.00 H new ATOM 0 HA LEU A 40 8.390 6.463 -0.294 1.00 0.00 H new ATOM 0 HB2 LEU A 40 5.343 6.552 -0.179 1.00 0.00 H new ATOM 0 HB3 LEU A 40 6.389 5.916 1.075 1.00 0.00 H new ATOM 0 HG LEU A 40 6.384 8.812 0.188 1.00 0.00 H new ATOM 0 HD11 LEU A 40 5.139 9.232 2.283 1.00 0.00 H new ATOM 0 HD12 LEU A 40 4.224 8.184 1.173 1.00 0.00 H new ATOM 0 HD13 LEU A 40 5.061 7.478 2.577 1.00 0.00 H new ATOM 0 HD21 LEU A 40 7.573 9.192 2.318 1.00 0.00 H new ATOM 0 HD22 LEU A 40 7.565 7.439 2.628 1.00 0.00 H new ATOM 0 HD23 LEU A 40 8.475 8.095 1.246 1.00 0.00 H new ATOM 638 N PRO A 41 7.815 3.982 -0.720 1.00 0.00 N ATOM 639 CA PRO A 41 7.590 2.610 -1.124 1.00 0.00 C ATOM 640 C PRO A 41 6.229 2.144 -0.606 1.00 0.00 C ATOM 641 O PRO A 41 5.870 2.405 0.540 1.00 0.00 O ATOM 642 CB PRO A 41 8.742 1.849 -0.457 1.00 0.00 C ATOM 643 CG PRO A 41 9.087 2.655 0.748 1.00 0.00 C ATOM 644 CD PRO A 41 8.762 4.086 0.413 1.00 0.00 C ATOM 0 HA PRO A 41 7.573 2.460 -2.203 1.00 0.00 H new ATOM 0 HB2 PRO A 41 8.441 0.838 -0.183 1.00 0.00 H new ATOM 0 HB3 PRO A 41 9.596 1.757 -1.128 1.00 0.00 H new ATOM 0 HG2 PRO A 41 8.517 2.320 1.615 1.00 0.00 H new ATOM 0 HG3 PRO A 41 10.142 2.545 0.999 1.00 0.00 H new ATOM 0 HD2 PRO A 41 8.314 4.603 1.262 1.00 0.00 H new ATOM 0 HD3 PRO A 41 9.656 4.644 0.136 1.00 0.00 H new ATOM 652 N ILE A 42 5.463 1.522 -1.446 1.00 0.00 N ATOM 653 CA ILE A 42 4.133 1.101 -1.087 1.00 0.00 C ATOM 654 C ILE A 42 3.980 -0.386 -1.322 1.00 0.00 C ATOM 655 O ILE A 42 4.226 -0.871 -2.415 1.00 0.00 O ATOM 656 CB ILE A 42 3.061 1.852 -1.922 1.00 0.00 C ATOM 657 CG1 ILE A 42 3.177 3.381 -1.765 1.00 0.00 C ATOM 658 CG2 ILE A 42 1.668 1.387 -1.552 1.00 0.00 C ATOM 659 CD1 ILE A 42 3.049 3.884 -0.340 1.00 0.00 C ATOM 0 H ILE A 42 5.736 1.289 -2.401 1.00 0.00 H new ATOM 0 HA ILE A 42 3.986 1.332 -0.032 1.00 0.00 H new ATOM 0 HB ILE A 42 3.244 1.614 -2.970 1.00 0.00 H new ATOM 0 HG12 ILE A 42 4.140 3.701 -2.164 1.00 0.00 H new ATOM 0 HG13 ILE A 42 2.406 3.854 -2.373 1.00 0.00 H new ATOM 0 HG21 ILE A 42 0.933 1.927 -2.150 1.00 0.00 H new ATOM 0 HG22 ILE A 42 1.578 0.318 -1.745 1.00 0.00 H new ATOM 0 HG23 ILE A 42 1.489 1.581 -0.495 1.00 0.00 H new ATOM 0 HD11 ILE A 42 3.143 4.970 -0.328 1.00 0.00 H new ATOM 0 HD12 ILE A 42 2.076 3.600 0.060 1.00 0.00 H new ATOM 0 HD13 ILE A 42 3.836 3.444 0.273 1.00 0.00 H new ATOM 671 N PHE A 43 3.553 -1.081 -0.318 1.00 0.00 N ATOM 672 CA PHE A 43 3.370 -2.512 -0.392 1.00 0.00 C ATOM 673 C PHE A 43 1.886 -2.812 -0.476 1.00 0.00 C ATOM 674 O PHE A 43 1.131 -2.500 0.461 1.00 0.00 O ATOM 675 CB PHE A 43 3.980 -3.190 0.846 1.00 0.00 C ATOM 676 CG PHE A 43 3.947 -4.700 0.818 1.00 0.00 C ATOM 677 CD1 PHE A 43 4.974 -5.411 0.220 1.00 0.00 C ATOM 678 CD2 PHE A 43 2.898 -5.405 1.392 1.00 0.00 C ATOM 679 CE1 PHE A 43 4.957 -6.789 0.194 1.00 0.00 C ATOM 680 CE2 PHE A 43 2.875 -6.785 1.368 1.00 0.00 C ATOM 681 CZ PHE A 43 3.909 -7.479 0.767 1.00 0.00 C ATOM 0 H PHE A 43 3.317 -0.677 0.588 1.00 0.00 H new ATOM 0 HA PHE A 43 3.873 -2.901 -1.277 1.00 0.00 H new ATOM 0 HB2 PHE A 43 5.015 -2.864 0.949 1.00 0.00 H new ATOM 0 HB3 PHE A 43 3.448 -2.845 1.732 1.00 0.00 H new ATOM 0 HD1 PHE A 43 5.798 -4.879 -0.232 1.00 0.00 H new ATOM 0 HD2 PHE A 43 2.089 -4.867 1.864 1.00 0.00 H new ATOM 0 HE1 PHE A 43 5.766 -7.329 -0.276 1.00 0.00 H new ATOM 0 HE2 PHE A 43 2.052 -7.321 1.817 1.00 0.00 H new ATOM 0 HZ PHE A 43 3.896 -8.559 0.746 1.00 0.00 H new ATOM 691 N PHE A 44 1.464 -3.366 -1.589 1.00 0.00 N ATOM 692 CA PHE A 44 0.055 -3.714 -1.789 1.00 0.00 C ATOM 693 C PHE A 44 -0.305 -5.010 -1.089 1.00 0.00 C ATOM 694 O PHE A 44 0.427 -6.007 -1.166 1.00 0.00 O ATOM 695 CB PHE A 44 -0.290 -3.855 -3.265 1.00 0.00 C ATOM 696 CG PHE A 44 -0.090 -2.620 -4.064 1.00 0.00 C ATOM 697 CD1 PHE A 44 -1.024 -1.609 -4.043 1.00 0.00 C ATOM 698 CD2 PHE A 44 1.021 -2.476 -4.847 1.00 0.00 C ATOM 699 CE1 PHE A 44 -0.847 -0.475 -4.791 1.00 0.00 C ATOM 700 CE2 PHE A 44 1.206 -1.355 -5.593 1.00 0.00 C ATOM 701 CZ PHE A 44 0.271 -0.346 -5.568 1.00 0.00 C ATOM 0 H PHE A 44 2.070 -3.590 -2.379 1.00 0.00 H new ATOM 0 HA PHE A 44 -0.520 -2.894 -1.360 1.00 0.00 H new ATOM 0 HB2 PHE A 44 0.318 -4.652 -3.693 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -1.331 -4.166 -3.354 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -1.907 -1.711 -3.429 1.00 0.00 H new ATOM 0 HD2 PHE A 44 1.761 -3.262 -4.873 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -1.586 0.312 -4.767 1.00 0.00 H new ATOM 0 HE2 PHE A 44 2.089 -1.256 -6.207 1.00 0.00 H new ATOM 0 HZ PHE A 44 0.419 0.545 -6.160 1.00 0.00 H new ATOM 711 N PHE A 45 -1.431 -5.013 -0.437 1.00 0.00 N ATOM 712 CA PHE A 45 -1.898 -6.196 0.229 1.00 0.00 C ATOM 713 C PHE A 45 -2.700 -7.056 -0.718 1.00 0.00 C ATOM 714 O PHE A 45 -3.210 -6.571 -1.728 1.00 0.00 O ATOM 715 CB PHE A 45 -2.721 -5.855 1.461 1.00 0.00 C ATOM 716 CG PHE A 45 -1.916 -5.250 2.555 1.00 0.00 C ATOM 717 CD1 PHE A 45 -1.069 -6.035 3.301 1.00 0.00 C ATOM 718 CD2 PHE A 45 -2.005 -3.913 2.843 1.00 0.00 C ATOM 719 CE1 PHE A 45 -0.322 -5.497 4.317 1.00 0.00 C ATOM 720 CE2 PHE A 45 -1.261 -3.365 3.861 1.00 0.00 C ATOM 721 CZ PHE A 45 -0.417 -4.161 4.602 1.00 0.00 C ATOM 0 H PHE A 45 -2.047 -4.205 -0.351 1.00 0.00 H new ATOM 0 HA PHE A 45 -1.023 -6.757 0.558 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -3.516 -5.164 1.179 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -3.202 -6.761 1.831 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -0.991 -7.090 3.084 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -2.666 -3.284 2.265 1.00 0.00 H new ATOM 0 HE1 PHE A 45 0.341 -6.126 4.892 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -1.339 -2.310 4.079 1.00 0.00 H new ATOM 0 HZ PHE A 45 0.167 -3.734 5.404 1.00 0.00 H new ATOM 731 N GLY A 46 -2.777 -8.328 -0.399 1.00 0.00 N ATOM 732 CA GLY A 46 -3.510 -9.328 -1.158 1.00 0.00 C ATOM 733 C GLY A 46 -2.823 -9.767 -2.419 1.00 0.00 C ATOM 734 O GLY A 46 -3.083 -10.849 -2.919 1.00 0.00 O ATOM 0 H GLY A 46 -2.316 -8.713 0.425 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -3.675 -10.200 -0.525 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -4.492 -8.928 -1.412 1.00 0.00 H new ATOM 738 N THR A 47 -1.928 -8.965 -2.922 1.00 0.00 N ATOM 739 CA THR A 47 -1.154 -9.361 -4.061 1.00 0.00 C ATOM 740 C THR A 47 0.311 -9.364 -3.718 1.00 0.00 C ATOM 741 O THR A 47 1.101 -10.082 -4.322 1.00 0.00 O ATOM 742 CB THR A 47 -1.399 -8.396 -5.208 1.00 0.00 C ATOM 743 OG1 THR A 47 -1.149 -7.055 -4.750 1.00 0.00 O ATOM 744 CG2 THR A 47 -2.825 -8.487 -5.684 1.00 0.00 C ATOM 0 H THR A 47 -1.717 -8.035 -2.561 1.00 0.00 H new ATOM 0 HA THR A 47 -1.455 -10.366 -4.357 1.00 0.00 H new ATOM 0 HB THR A 47 -0.733 -8.653 -6.032 1.00 0.00 H new ATOM 0 HG1 THR A 47 -1.235 -6.431 -5.501 1.00 0.00 H new ATOM 0 HG21 THR A 47 -2.980 -7.788 -6.506 1.00 0.00 H new ATOM 0 HG22 THR A 47 -3.030 -9.501 -6.027 1.00 0.00 H new ATOM 0 HG23 THR A 47 -3.499 -8.238 -4.864 1.00 0.00 H new ATOM 752 N HIS A 48 0.656 -8.579 -2.686 1.00 0.00 N ATOM 753 CA HIS A 48 2.017 -8.459 -2.177 1.00 0.00 C ATOM 754 C HIS A 48 2.917 -7.764 -3.200 1.00 0.00 C ATOM 755 O HIS A 48 4.136 -7.891 -3.165 1.00 0.00 O ATOM 756 CB HIS A 48 2.580 -9.830 -1.704 1.00 0.00 C ATOM 757 CG HIS A 48 1.773 -10.453 -0.583 1.00 0.00 C ATOM 758 ND1 HIS A 48 1.997 -11.727 -0.091 1.00 0.00 N ATOM 759 CD2 HIS A 48 0.729 -9.963 0.139 1.00 0.00 C ATOM 760 CE1 HIS A 48 1.120 -11.982 0.880 1.00 0.00 C ATOM 761 NE2 HIS A 48 0.354 -10.930 1.031 1.00 0.00 N ATOM 0 H HIS A 48 -0.017 -8.004 -2.179 1.00 0.00 H new ATOM 0 HA HIS A 48 1.996 -7.826 -1.290 1.00 0.00 H new ATOM 0 HB2 HIS A 48 2.604 -10.517 -2.550 1.00 0.00 H new ATOM 0 HB3 HIS A 48 3.609 -9.697 -1.371 1.00 0.00 H new ATOM 0 HD2 HIS A 48 0.278 -8.988 0.028 1.00 0.00 H new ATOM 0 HE1 HIS A 48 1.052 -12.899 1.446 1.00 0.00 H new ATOM 0 HE2 HIS A 48 -0.404 -10.845 1.708 1.00 0.00 H new ATOM 770 N GLU A 49 2.278 -6.989 -4.082 1.00 0.00 N ATOM 771 CA GLU A 49 2.959 -6.174 -5.068 1.00 0.00 C ATOM 772 C GLU A 49 3.576 -4.984 -4.354 1.00 0.00 C ATOM 773 O GLU A 49 3.200 -4.661 -3.233 1.00 0.00 O ATOM 774 CB GLU A 49 1.955 -5.667 -6.120 1.00 0.00 C ATOM 775 CG GLU A 49 1.344 -6.747 -7.009 1.00 0.00 C ATOM 776 CD GLU A 49 0.141 -6.251 -7.814 1.00 0.00 C ATOM 777 OE1 GLU A 49 -0.965 -6.184 -7.245 1.00 0.00 O ATOM 778 OE2 GLU A 49 0.265 -5.949 -9.017 1.00 0.00 O ATOM 0 H GLU A 49 1.262 -6.916 -4.124 1.00 0.00 H new ATOM 0 HA GLU A 49 3.726 -6.764 -5.569 1.00 0.00 H new ATOM 0 HB2 GLU A 49 1.149 -5.143 -5.607 1.00 0.00 H new ATOM 0 HB3 GLU A 49 2.456 -4.937 -6.755 1.00 0.00 H new ATOM 0 HG2 GLU A 49 2.105 -7.118 -7.695 1.00 0.00 H new ATOM 0 HG3 GLU A 49 1.037 -7.589 -6.389 1.00 0.00 H new ATOM 785 N THR A 50 4.492 -4.335 -4.972 1.00 0.00 N ATOM 786 CA THR A 50 5.119 -3.193 -4.363 1.00 0.00 C ATOM 787 C THR A 50 5.266 -2.098 -5.406 1.00 0.00 C ATOM 788 O THR A 50 5.523 -2.376 -6.575 1.00 0.00 O ATOM 789 CB THR A 50 6.502 -3.552 -3.788 1.00 0.00 C ATOM 790 OG1 THR A 50 6.418 -4.806 -3.089 1.00 0.00 O ATOM 791 CG2 THR A 50 6.974 -2.486 -2.803 1.00 0.00 C ATOM 0 H THR A 50 4.835 -4.566 -5.904 1.00 0.00 H new ATOM 0 HA THR A 50 4.494 -2.850 -3.539 1.00 0.00 H new ATOM 0 HB THR A 50 7.208 -3.617 -4.616 1.00 0.00 H new ATOM 0 HG1 THR A 50 6.012 -4.663 -2.209 1.00 0.00 H new ATOM 0 HG21 THR A 50 7.953 -2.761 -2.410 1.00 0.00 H new ATOM 0 HG22 THR A 50 7.045 -1.525 -3.313 1.00 0.00 H new ATOM 0 HG23 THR A 50 6.262 -2.409 -1.981 1.00 0.00 H new ATOM 799 N ALA A 51 5.075 -0.891 -4.984 1.00 0.00 N ATOM 800 CA ALA A 51 5.154 0.273 -5.850 1.00 0.00 C ATOM 801 C ALA A 51 5.848 1.405 -5.137 1.00 0.00 C ATOM 802 O ALA A 51 6.277 1.261 -3.995 1.00 0.00 O ATOM 803 CB ALA A 51 3.765 0.721 -6.236 1.00 0.00 C ATOM 0 H ALA A 51 4.855 -0.667 -4.014 1.00 0.00 H new ATOM 0 HA ALA A 51 5.718 0.002 -6.743 1.00 0.00 H new ATOM 0 HB1 ALA A 51 3.832 1.594 -6.885 1.00 0.00 H new ATOM 0 HB2 ALA A 51 3.256 -0.086 -6.764 1.00 0.00 H new ATOM 0 HB3 ALA A 51 3.203 0.979 -5.338 1.00 0.00 H new ATOM 809 N PHE A 52 5.972 2.519 -5.825 1.00 0.00 N ATOM 810 CA PHE A 52 6.518 3.729 -5.269 1.00 0.00 C ATOM 811 C PHE A 52 5.574 4.854 -5.624 1.00 0.00 C ATOM 812 O PHE A 52 5.459 5.245 -6.794 1.00 0.00 O ATOM 813 CB PHE A 52 7.948 4.002 -5.798 1.00 0.00 C ATOM 814 CG PHE A 52 8.916 2.878 -5.508 1.00 0.00 C ATOM 815 CD1 PHE A 52 9.413 2.684 -4.229 1.00 0.00 C ATOM 816 CD2 PHE A 52 9.306 2.000 -6.511 1.00 0.00 C ATOM 817 CE1 PHE A 52 10.276 1.637 -3.954 1.00 0.00 C ATOM 818 CE2 PHE A 52 10.171 0.956 -6.241 1.00 0.00 C ATOM 819 CZ PHE A 52 10.655 0.773 -4.961 1.00 0.00 C ATOM 0 H PHE A 52 5.691 2.607 -6.802 1.00 0.00 H new ATOM 0 HA PHE A 52 6.609 3.639 -4.187 1.00 0.00 H new ATOM 0 HB2 PHE A 52 7.905 4.166 -6.875 1.00 0.00 H new ATOM 0 HB3 PHE A 52 8.325 4.922 -5.350 1.00 0.00 H new ATOM 0 HD1 PHE A 52 9.123 3.358 -3.437 1.00 0.00 H new ATOM 0 HD2 PHE A 52 8.929 2.135 -7.514 1.00 0.00 H new ATOM 0 HE1 PHE A 52 10.653 1.496 -2.952 1.00 0.00 H new ATOM 0 HE2 PHE A 52 10.468 0.283 -7.032 1.00 0.00 H new ATOM 0 HZ PHE A 52 11.328 -0.044 -4.748 1.00 0.00 H new ATOM 829 N LEU A 53 4.887 5.350 -4.636 1.00 0.00 N ATOM 830 CA LEU A 53 3.873 6.355 -4.826 1.00 0.00 C ATOM 831 C LEU A 53 4.136 7.516 -3.913 1.00 0.00 C ATOM 832 O LEU A 53 4.761 7.355 -2.868 1.00 0.00 O ATOM 833 CB LEU A 53 2.486 5.773 -4.585 1.00 0.00 C ATOM 834 CG LEU A 53 2.053 4.672 -5.555 1.00 0.00 C ATOM 835 CD1 LEU A 53 0.730 4.100 -5.125 1.00 0.00 C ATOM 836 CD2 LEU A 53 1.951 5.220 -6.978 1.00 0.00 C ATOM 0 H LEU A 53 5.014 5.067 -3.664 1.00 0.00 H new ATOM 0 HA LEU A 53 3.909 6.706 -5.857 1.00 0.00 H new ATOM 0 HB2 LEU A 53 2.450 5.374 -3.571 1.00 0.00 H new ATOM 0 HB3 LEU A 53 1.758 6.583 -4.635 1.00 0.00 H new ATOM 0 HG LEU A 53 2.804 3.882 -5.542 1.00 0.00 H new ATOM 0 HD11 LEU A 53 0.429 3.317 -5.821 1.00 0.00 H new ATOM 0 HD12 LEU A 53 0.824 3.680 -4.124 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -0.022 4.889 -5.118 1.00 0.00 H new ATOM 0 HD21 LEU A 53 1.642 4.423 -7.654 1.00 0.00 H new ATOM 0 HD22 LEU A 53 1.216 6.025 -7.006 1.00 0.00 H new ATOM 0 HD23 LEU A 53 2.922 5.604 -7.290 1.00 0.00 H new ATOM 848 N GLY A 54 3.696 8.680 -4.300 1.00 0.00 N ATOM 849 CA GLY A 54 4.009 9.839 -3.535 1.00 0.00 C ATOM 850 C GLY A 54 2.980 10.100 -2.489 1.00 0.00 C ATOM 851 O GLY A 54 1.927 9.489 -2.509 1.00 0.00 O ATOM 0 H GLY A 54 3.127 8.844 -5.131 1.00 0.00 H new ATOM 0 HA2 GLY A 54 4.984 9.712 -3.064 1.00 0.00 H new ATOM 0 HA3 GLY A 54 4.084 10.703 -4.196 1.00 0.00 H new ATOM 855 N PRO A 55 3.227 11.057 -1.585 1.00 0.00 N ATOM 856 CA PRO A 55 2.284 11.414 -0.506 1.00 0.00 C ATOM 857 C PRO A 55 0.986 12.034 -1.051 1.00 0.00 C ATOM 858 O PRO A 55 0.084 12.429 -0.280 1.00 0.00 O ATOM 859 CB PRO A 55 3.062 12.432 0.337 1.00 0.00 C ATOM 860 CG PRO A 55 4.098 12.980 -0.585 1.00 0.00 C ATOM 861 CD PRO A 55 4.467 11.857 -1.510 1.00 0.00 C ATOM 0 HA PRO A 55 1.964 10.540 0.061 1.00 0.00 H new ATOM 0 HB2 PRO A 55 2.407 13.220 0.709 1.00 0.00 H new ATOM 0 HB3 PRO A 55 3.517 11.959 1.207 1.00 0.00 H new ATOM 0 HG2 PRO A 55 3.712 13.833 -1.142 1.00 0.00 H new ATOM 0 HG3 PRO A 55 4.968 13.330 -0.030 1.00 0.00 H new ATOM 0 HD2 PRO A 55 4.768 12.226 -2.491 1.00 0.00 H new ATOM 0 HD3 PRO A 55 5.300 11.272 -1.120 1.00 0.00 H new ATOM 869 N LYS A 56 0.976 12.250 -2.350 1.00 0.00 N ATOM 870 CA LYS A 56 -0.187 12.728 -3.061 1.00 0.00 C ATOM 871 C LYS A 56 -0.949 11.580 -3.746 1.00 0.00 C ATOM 872 O LYS A 56 -2.084 11.740 -4.160 1.00 0.00 O ATOM 873 CB LYS A 56 0.191 13.787 -4.089 1.00 0.00 C ATOM 874 CG LYS A 56 1.205 13.318 -5.142 1.00 0.00 C ATOM 875 CD LYS A 56 1.419 14.359 -6.247 1.00 0.00 C ATOM 876 CE LYS A 56 1.985 15.674 -5.715 1.00 0.00 C ATOM 877 NZ LYS A 56 2.176 16.673 -6.804 1.00 0.00 N ATOM 0 H LYS A 56 1.788 12.096 -2.948 1.00 0.00 H new ATOM 0 HA LYS A 56 -0.846 13.179 -2.319 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -0.713 14.121 -4.597 1.00 0.00 H new ATOM 0 HB3 LYS A 56 0.601 14.652 -3.567 1.00 0.00 H new ATOM 0 HG2 LYS A 56 2.158 13.105 -4.657 1.00 0.00 H new ATOM 0 HG3 LYS A 56 0.859 12.385 -5.587 1.00 0.00 H new ATOM 0 HD2 LYS A 56 2.098 13.953 -6.997 1.00 0.00 H new ATOM 0 HD3 LYS A 56 0.470 14.552 -6.747 1.00 0.00 H new ATOM 0 HE2 LYS A 56 1.311 16.082 -4.961 1.00 0.00 H new ATOM 0 HE3 LYS A 56 2.939 15.487 -5.222 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 2.562 17.552 -6.405 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 2.838 16.294 -7.510 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 1.261 16.871 -7.258 1.00 0.00 H new ATOM 891 N ASP A 57 -0.292 10.456 -3.887 1.00 0.00 N ATOM 892 CA ASP A 57 -0.877 9.283 -4.563 1.00 0.00 C ATOM 893 C ASP A 57 -1.510 8.364 -3.551 1.00 0.00 C ATOM 894 O ASP A 57 -2.178 7.387 -3.904 1.00 0.00 O ATOM 895 CB ASP A 57 0.185 8.468 -5.333 1.00 0.00 C ATOM 896 CG ASP A 57 0.761 9.123 -6.569 1.00 0.00 C ATOM 897 OD1 ASP A 57 -0.003 9.362 -7.541 1.00 0.00 O ATOM 898 OD2 ASP A 57 2.020 9.377 -6.599 1.00 0.00 O ATOM 0 H ASP A 57 0.658 10.310 -3.545 1.00 0.00 H new ATOM 0 HA ASP A 57 -1.617 9.665 -5.267 1.00 0.00 H new ATOM 0 HB2 ASP A 57 1.005 8.242 -4.651 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -0.258 7.516 -5.625 1.00 0.00 H new ATOM 903 N ILE A 58 -1.280 8.659 -2.308 1.00 0.00 N ATOM 904 CA ILE A 58 -1.741 7.843 -1.232 1.00 0.00 C ATOM 905 C ILE A 58 -2.673 8.603 -0.317 1.00 0.00 C ATOM 906 O ILE A 58 -2.549 9.818 -0.139 1.00 0.00 O ATOM 907 CB ILE A 58 -0.562 7.266 -0.430 1.00 0.00 C ATOM 908 CG1 ILE A 58 0.341 8.390 0.060 1.00 0.00 C ATOM 909 CG2 ILE A 58 0.218 6.282 -1.278 1.00 0.00 C ATOM 910 CD1 ILE A 58 1.581 7.924 0.757 1.00 0.00 C ATOM 0 H ILE A 58 -0.760 9.485 -2.011 1.00 0.00 H new ATOM 0 HA ILE A 58 -2.299 7.017 -1.672 1.00 0.00 H new ATOM 0 HB ILE A 58 -0.952 6.735 0.438 1.00 0.00 H new ATOM 0 HG12 ILE A 58 0.627 9.008 -0.791 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -0.226 9.026 0.739 1.00 0.00 H new ATOM 0 HG21 ILE A 58 1.050 5.881 -0.698 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -0.437 5.466 -1.584 1.00 0.00 H new ATOM 0 HG23 ILE A 58 0.604 6.789 -2.162 1.00 0.00 H new ATOM 0 HD11 ILE A 58 2.167 8.787 1.073 1.00 0.00 H new ATOM 0 HD12 ILE A 58 1.307 7.332 1.630 1.00 0.00 H new ATOM 0 HD13 ILE A 58 2.174 7.313 0.076 1.00 0.00 H new ATOM 922 N PHE A 59 -3.576 7.880 0.262 1.00 0.00 N ATOM 923 CA PHE A 59 -4.606 8.408 1.136 1.00 0.00 C ATOM 924 C PHE A 59 -4.638 7.545 2.367 1.00 0.00 C ATOM 925 O PHE A 59 -4.331 6.397 2.273 1.00 0.00 O ATOM 926 CB PHE A 59 -5.991 8.374 0.461 1.00 0.00 C ATOM 927 CG PHE A 59 -6.197 9.333 -0.687 1.00 0.00 C ATOM 928 CD1 PHE A 59 -5.674 9.074 -1.938 1.00 0.00 C ATOM 929 CD2 PHE A 59 -6.950 10.482 -0.509 1.00 0.00 C ATOM 930 CE1 PHE A 59 -5.891 9.941 -2.989 1.00 0.00 C ATOM 931 CE2 PHE A 59 -7.168 11.357 -1.556 1.00 0.00 C ATOM 932 CZ PHE A 59 -6.637 11.083 -2.799 1.00 0.00 C ATOM 0 H PHE A 59 -3.630 6.868 0.143 1.00 0.00 H new ATOM 0 HA PHE A 59 -4.379 9.447 1.376 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -6.171 7.362 0.098 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -6.747 8.580 1.219 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -5.087 8.181 -2.096 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -7.372 10.697 0.461 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -5.475 9.724 -3.962 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -7.752 12.252 -1.402 1.00 0.00 H new ATOM 0 HZ PHE A 59 -6.806 11.762 -3.621 1.00 0.00 H new ATOM 942 N PRO A 60 -4.970 8.076 3.531 1.00 0.00 N ATOM 943 CA PRO A 60 -5.001 7.284 4.764 1.00 0.00 C ATOM 944 C PRO A 60 -6.083 6.229 4.731 1.00 0.00 C ATOM 945 O PRO A 60 -7.213 6.505 4.373 1.00 0.00 O ATOM 946 CB PRO A 60 -5.281 8.309 5.831 1.00 0.00 C ATOM 947 CG PRO A 60 -5.952 9.427 5.141 1.00 0.00 C ATOM 948 CD PRO A 60 -5.400 9.456 3.750 1.00 0.00 C ATOM 0 HA PRO A 60 -4.074 6.734 4.927 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -5.915 7.895 6.615 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -4.359 8.640 6.308 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -7.032 9.283 5.127 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -5.763 10.370 5.654 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -6.153 9.763 3.024 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -4.569 10.155 3.661 1.00 0.00 H new ATOM 956 N TYR A 61 -5.725 5.025 5.094 1.00 0.00 N ATOM 957 CA TYR A 61 -6.652 3.915 5.052 1.00 0.00 C ATOM 958 C TYR A 61 -7.737 4.029 6.087 1.00 0.00 C ATOM 959 O TYR A 61 -8.873 3.740 5.813 1.00 0.00 O ATOM 960 CB TYR A 61 -5.910 2.596 5.210 1.00 0.00 C ATOM 961 CG TYR A 61 -6.789 1.384 5.390 1.00 0.00 C ATOM 962 CD1 TYR A 61 -7.529 0.877 4.345 1.00 0.00 C ATOM 963 CD2 TYR A 61 -6.843 0.735 6.608 1.00 0.00 C ATOM 964 CE1 TYR A 61 -8.304 -0.247 4.498 1.00 0.00 C ATOM 965 CE2 TYR A 61 -7.622 -0.394 6.781 1.00 0.00 C ATOM 966 CZ TYR A 61 -8.351 -0.879 5.714 1.00 0.00 C ATOM 967 OH TYR A 61 -9.101 -2.013 5.851 1.00 0.00 O ATOM 0 H TYR A 61 -4.791 4.783 5.425 1.00 0.00 H new ATOM 0 HA TYR A 61 -7.136 3.943 4.076 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -5.282 2.443 4.332 1.00 0.00 H new ATOM 0 HB3 TYR A 61 -5.243 2.673 6.069 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -7.499 1.373 3.386 1.00 0.00 H new ATOM 0 HD2 TYR A 61 -6.267 1.116 7.439 1.00 0.00 H new ATOM 0 HE1 TYR A 61 -8.873 -0.631 3.665 1.00 0.00 H new ATOM 0 HE2 TYR A 61 -7.660 -0.890 7.739 1.00 0.00 H new ATOM 0 HH TYR A 61 -9.005 -2.360 6.762 1.00 0.00 H new ATOM 977 N SER A 62 -7.389 4.494 7.244 1.00 0.00 N ATOM 978 CA SER A 62 -8.334 4.494 8.340 1.00 0.00 C ATOM 979 C SER A 62 -9.362 5.609 8.188 1.00 0.00 C ATOM 980 O SER A 62 -10.499 5.461 8.594 1.00 0.00 O ATOM 981 CB SER A 62 -7.602 4.586 9.689 1.00 0.00 C ATOM 982 OG SER A 62 -8.492 4.440 10.781 1.00 0.00 O ATOM 0 H SER A 62 -6.470 4.877 7.464 1.00 0.00 H new ATOM 0 HA SER A 62 -8.877 3.549 8.316 1.00 0.00 H new ATOM 0 HB2 SER A 62 -6.835 3.814 9.740 1.00 0.00 H new ATOM 0 HB3 SER A 62 -7.092 5.547 9.761 1.00 0.00 H new ATOM 0 HG SER A 62 -7.992 4.502 11.621 1.00 0.00 H new ATOM 988 N GLU A 63 -8.929 6.712 7.629 1.00 0.00 N ATOM 989 CA GLU A 63 -9.761 7.875 7.455 1.00 0.00 C ATOM 990 C GLU A 63 -10.383 7.914 6.066 1.00 0.00 C ATOM 991 O GLU A 63 -11.035 8.880 5.703 1.00 0.00 O ATOM 992 CB GLU A 63 -8.932 9.156 7.680 1.00 0.00 C ATOM 993 CG GLU A 63 -8.098 9.160 8.963 1.00 0.00 C ATOM 994 CD GLU A 63 -6.693 8.568 8.800 1.00 0.00 C ATOM 995 OE1 GLU A 63 -6.548 7.344 8.564 1.00 0.00 O ATOM 996 OE2 GLU A 63 -5.692 9.324 8.864 1.00 0.00 O ATOM 0 H GLU A 63 -7.978 6.828 7.278 1.00 0.00 H new ATOM 0 HA GLU A 63 -10.565 7.819 8.189 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -8.265 9.295 6.829 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -9.608 10.011 7.699 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -8.009 10.185 9.322 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -8.630 8.598 9.731 1.00 0.00 H new ATOM 1003 N ASN A 64 -10.057 6.937 5.241 1.00 0.00 N ATOM 1004 CA ASN A 64 -10.629 6.853 3.886 1.00 0.00 C ATOM 1005 C ASN A 64 -11.168 5.454 3.575 1.00 0.00 C ATOM 1006 O ASN A 64 -11.457 5.143 2.411 1.00 0.00 O ATOM 1007 CB ASN A 64 -9.628 7.271 2.749 1.00 0.00 C ATOM 1008 CG ASN A 64 -9.267 8.779 2.647 1.00 0.00 C ATOM 1009 OD1 ASN A 64 -9.070 9.310 1.539 1.00 0.00 O ATOM 1010 ND2 ASN A 64 -9.181 9.473 3.736 1.00 0.00 N ATOM 0 H ASN A 64 -9.404 6.188 5.472 1.00 0.00 H new ATOM 0 HA ASN A 64 -11.448 7.572 3.894 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -8.704 6.710 2.888 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -10.050 6.958 1.794 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -8.950 10.465 3.691 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -9.344 9.028 4.639 1.00 0.00 H new ATOM 1017 N LYS A 65 -11.348 4.630 4.589 1.00 0.00 N ATOM 1018 CA LYS A 65 -11.851 3.259 4.410 1.00 0.00 C ATOM 1019 C LYS A 65 -13.316 3.289 3.995 1.00 0.00 C ATOM 1020 O LYS A 65 -13.780 2.457 3.218 1.00 0.00 O ATOM 1021 CB LYS A 65 -11.668 2.436 5.700 1.00 0.00 C ATOM 1022 CG LYS A 65 -12.189 1.005 5.634 1.00 0.00 C ATOM 1023 CD LYS A 65 -11.916 0.253 6.936 1.00 0.00 C ATOM 1024 CE LYS A 65 -12.425 -1.186 6.879 1.00 0.00 C ATOM 1025 NZ LYS A 65 -12.138 -1.926 8.138 1.00 0.00 N ATOM 0 H LYS A 65 -11.155 4.879 5.559 1.00 0.00 H new ATOM 0 HA LYS A 65 -11.274 2.778 3.620 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -10.607 2.409 5.947 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -12.173 2.952 6.517 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -13.261 1.015 5.435 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -11.716 0.482 4.803 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -10.845 0.252 7.137 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -12.395 0.775 7.764 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -13.499 -1.184 6.696 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -11.959 -1.703 6.040 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -12.359 -2.934 8.006 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -11.132 -1.821 8.381 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -12.722 -1.541 8.908 1.00 0.00 H new ATOM 1039 N GLU A 66 -14.014 4.279 4.476 1.00 0.00 N ATOM 1040 CA GLU A 66 -15.414 4.500 4.163 1.00 0.00 C ATOM 1041 C GLU A 66 -15.507 4.843 2.688 1.00 0.00 C ATOM 1042 O GLU A 66 -16.481 4.509 1.991 1.00 0.00 O ATOM 1043 CB GLU A 66 -15.991 5.712 4.937 1.00 0.00 C ATOM 1044 CG GLU A 66 -15.418 5.985 6.323 1.00 0.00 C ATOM 1045 CD GLU A 66 -14.027 6.577 6.237 1.00 0.00 C ATOM 1046 OE1 GLU A 66 -13.906 7.733 5.847 1.00 0.00 O ATOM 1047 OE2 GLU A 66 -13.052 5.822 6.438 1.00 0.00 O ATOM 0 H GLU A 66 -13.625 4.975 5.112 1.00 0.00 H new ATOM 0 HA GLU A 66 -15.971 3.602 4.433 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -15.844 6.604 4.328 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -17.067 5.569 5.038 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -16.074 6.669 6.862 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -15.386 5.058 6.895 1.00 0.00 H new ATOM 1054 N LYS A 67 -14.460 5.486 2.214 1.00 0.00 N ATOM 1055 CA LYS A 67 -14.395 5.977 0.875 1.00 0.00 C ATOM 1056 C LYS A 67 -13.991 4.892 -0.093 1.00 0.00 C ATOM 1057 O LYS A 67 -14.764 4.511 -0.981 1.00 0.00 O ATOM 1058 CB LYS A 67 -13.343 7.075 0.765 1.00 0.00 C ATOM 1059 CG LYS A 67 -13.471 8.195 1.761 1.00 0.00 C ATOM 1060 CD LYS A 67 -12.375 9.239 1.577 1.00 0.00 C ATOM 1061 CE LYS A 67 -12.268 9.760 0.149 1.00 0.00 C ATOM 1062 NZ LYS A 67 -11.054 10.590 -0.034 1.00 0.00 N ATOM 0 H LYS A 67 -13.624 5.679 2.765 1.00 0.00 H new ATOM 0 HA LYS A 67 -15.389 6.351 0.630 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -12.358 6.623 0.877 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -13.387 7.498 -0.239 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -14.447 8.668 1.653 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -13.423 7.791 2.772 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -12.565 10.077 2.248 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -11.419 8.806 1.870 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -12.245 8.920 -0.546 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -13.153 10.349 -0.092 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -10.685 10.458 -0.997 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -11.293 11.592 0.111 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -10.331 10.304 0.656 1.00 0.00 H new ATOM 1076 N TYR A 68 -12.821 4.350 0.127 1.00 0.00 N ATOM 1077 CA TYR A 68 -12.191 3.483 -0.848 1.00 0.00 C ATOM 1078 C TYR A 68 -12.214 2.030 -0.448 1.00 0.00 C ATOM 1079 O TYR A 68 -11.745 1.175 -1.193 1.00 0.00 O ATOM 1080 CB TYR A 68 -10.753 3.917 -1.069 1.00 0.00 C ATOM 1081 CG TYR A 68 -10.572 5.366 -1.440 1.00 0.00 C ATOM 1082 CD1 TYR A 68 -11.124 5.889 -2.593 1.00 0.00 C ATOM 1083 CD2 TYR A 68 -9.810 6.194 -0.648 1.00 0.00 C ATOM 1084 CE1 TYR A 68 -10.917 7.210 -2.942 1.00 0.00 C ATOM 1085 CE2 TYR A 68 -9.600 7.506 -0.978 1.00 0.00 C ATOM 1086 CZ TYR A 68 -10.151 8.015 -2.123 1.00 0.00 C ATOM 1087 OH TYR A 68 -9.920 9.332 -2.458 1.00 0.00 O ATOM 0 H TYR A 68 -12.278 4.492 0.978 1.00 0.00 H new ATOM 0 HA TYR A 68 -12.768 3.576 -1.768 1.00 0.00 H new ATOM 0 HB2 TYR A 68 -10.186 3.717 -0.160 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -10.321 3.300 -1.856 1.00 0.00 H new ATOM 0 HD1 TYR A 68 -11.725 5.257 -3.230 1.00 0.00 H new ATOM 0 HD2 TYR A 68 -9.367 5.800 0.255 1.00 0.00 H new ATOM 0 HE1 TYR A 68 -11.351 7.609 -3.847 1.00 0.00 H new ATOM 0 HE2 TYR A 68 -9.002 8.137 -0.337 1.00 0.00 H new ATOM 0 HH TYR A 68 -9.059 9.617 -2.088 1.00 0.00 H new ATOM 1097 N GLY A 69 -12.762 1.739 0.707 1.00 0.00 N ATOM 1098 CA GLY A 69 -12.818 0.374 1.182 1.00 0.00 C ATOM 1099 C GLY A 69 -13.937 -0.415 0.516 1.00 0.00 C ATOM 1100 O GLY A 69 -14.828 -0.925 1.183 1.00 0.00 O ATOM 0 H GLY A 69 -13.176 2.427 1.336 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -11.864 -0.117 0.989 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -12.965 0.371 2.262 1.00 0.00 H new ATOM 1104 N LYS A 70 -13.906 -0.470 -0.795 1.00 0.00 N ATOM 1105 CA LYS A 70 -14.906 -1.167 -1.573 1.00 0.00 C ATOM 1106 C LYS A 70 -14.234 -2.165 -2.498 1.00 0.00 C ATOM 1107 O LYS A 70 -13.345 -1.798 -3.257 1.00 0.00 O ATOM 1108 CB LYS A 70 -15.754 -0.170 -2.371 1.00 0.00 C ATOM 1109 CG LYS A 70 -16.543 0.779 -1.489 1.00 0.00 C ATOM 1110 CD LYS A 70 -17.283 1.831 -2.289 1.00 0.00 C ATOM 1111 CE LYS A 70 -18.043 2.768 -1.364 1.00 0.00 C ATOM 1112 NZ LYS A 70 -17.144 3.379 -0.360 1.00 0.00 N ATOM 0 H LYS A 70 -13.179 -0.028 -1.358 1.00 0.00 H new ATOM 0 HA LYS A 70 -15.569 -1.708 -0.898 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -15.103 0.409 -3.026 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -16.444 -0.720 -3.011 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -17.257 0.209 -0.895 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -15.865 1.268 -0.789 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -16.576 2.401 -2.893 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -17.977 1.350 -2.979 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -18.522 3.552 -1.951 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -18.836 2.218 -0.858 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -17.600 4.219 0.049 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -16.947 2.691 0.394 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -16.252 3.657 -0.816 1.00 0.00 H new ATOM 1126 N PRO A 71 -14.646 -3.446 -2.429 1.00 0.00 N ATOM 1127 CA PRO A 71 -14.051 -4.528 -3.214 1.00 0.00 C ATOM 1128 C PRO A 71 -13.996 -4.264 -4.699 1.00 0.00 C ATOM 1129 O PRO A 71 -15.030 -3.990 -5.371 1.00 0.00 O ATOM 1130 CB PRO A 71 -14.987 -5.665 -3.040 1.00 0.00 C ATOM 1131 CG PRO A 71 -15.679 -5.429 -1.745 1.00 0.00 C ATOM 1132 CD PRO A 71 -15.727 -3.941 -1.555 1.00 0.00 C ATOM 0 HA PRO A 71 -13.026 -4.679 -2.876 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -15.702 -5.712 -3.862 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -14.451 -6.614 -3.029 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -16.684 -5.851 -1.759 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -15.143 -5.908 -0.925 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -16.695 -3.531 -1.843 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -15.560 -3.664 -0.514 1.00 0.00 H new ATOM 1140 N ASN A 72 -12.850 -4.439 -5.238 1.00 0.00 N ATOM 1141 CA ASN A 72 -12.685 -4.256 -6.623 1.00 0.00 C ATOM 1142 C ASN A 72 -12.817 -5.577 -7.326 1.00 0.00 C ATOM 1143 O ASN A 72 -13.223 -6.575 -6.717 1.00 0.00 O ATOM 1144 CB ASN A 72 -11.367 -3.606 -6.933 1.00 0.00 C ATOM 1145 CG ASN A 72 -11.465 -2.823 -8.182 1.00 0.00 C ATOM 1146 OD1 ASN A 72 -11.061 -3.274 -9.250 1.00 0.00 O ATOM 1147 ND2 ASN A 72 -12.154 -1.746 -8.078 1.00 0.00 N ATOM 0 H ASN A 72 -12.006 -4.711 -4.734 1.00 0.00 H new ATOM 0 HA ASN A 72 -13.466 -3.586 -6.983 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -11.072 -2.956 -6.110 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -10.593 -4.367 -7.032 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -12.395 -1.212 -8.913 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -12.460 -1.423 -7.160 1.00 0.00 H new ATOM 1154 N LYS A 73 -12.537 -5.579 -8.588 1.00 0.00 N ATOM 1155 CA LYS A 73 -12.647 -6.745 -9.385 1.00 0.00 C ATOM 1156 C LYS A 73 -11.265 -7.259 -9.711 1.00 0.00 C ATOM 1157 O LYS A 73 -11.104 -8.353 -10.232 1.00 0.00 O ATOM 1158 CB LYS A 73 -13.514 -6.487 -10.632 1.00 0.00 C ATOM 1159 CG LYS A 73 -14.982 -6.129 -10.297 1.00 0.00 C ATOM 1160 CD LYS A 73 -15.148 -4.682 -9.790 1.00 0.00 C ATOM 1161 CE LYS A 73 -16.472 -4.472 -9.056 1.00 0.00 C ATOM 1162 NZ LYS A 73 -16.505 -5.182 -7.732 1.00 0.00 N ATOM 0 H LYS A 73 -12.221 -4.754 -9.098 1.00 0.00 H new ATOM 0 HA LYS A 73 -13.164 -7.527 -8.829 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -13.073 -5.675 -11.210 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -13.500 -7.374 -11.265 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -15.597 -6.269 -11.186 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -15.355 -6.819 -9.540 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -14.322 -4.437 -9.122 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -15.090 -3.995 -10.634 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -16.633 -3.406 -8.899 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -17.292 -4.830 -9.679 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -17.427 -5.026 -7.277 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -16.360 -6.201 -7.881 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -15.750 -4.811 -7.120 1.00 0.00 H new ATOM 1176 N ARG A 74 -10.252 -6.432 -9.409 1.00 0.00 N ATOM 1177 CA ARG A 74 -8.908 -6.857 -9.457 1.00 0.00 C ATOM 1178 C ARG A 74 -8.754 -7.896 -8.373 1.00 0.00 C ATOM 1179 O ARG A 74 -8.992 -7.596 -7.197 1.00 0.00 O ATOM 1180 CB ARG A 74 -8.048 -5.668 -9.105 1.00 0.00 C ATOM 1181 CG ARG A 74 -6.879 -5.435 -10.015 1.00 0.00 C ATOM 1182 CD ARG A 74 -5.777 -6.511 -9.870 1.00 0.00 C ATOM 1183 NE ARG A 74 -4.465 -6.078 -10.432 1.00 0.00 N ATOM 1184 CZ ARG A 74 -3.264 -6.137 -9.753 1.00 0.00 C ATOM 1185 NH1 ARG A 74 -3.205 -6.656 -8.542 1.00 0.00 N ATOM 1186 NH2 ARG A 74 -2.139 -5.678 -10.307 1.00 0.00 N ATOM 0 H ARG A 74 -10.376 -5.459 -9.129 1.00 0.00 H new ATOM 0 HA ARG A 74 -8.630 -7.254 -10.433 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -8.673 -4.775 -9.106 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -7.677 -5.796 -8.088 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -7.227 -5.416 -11.048 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -6.452 -4.454 -9.805 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -5.652 -6.756 -8.815 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -6.099 -7.423 -10.373 1.00 0.00 H new ATOM 0 HE ARG A 74 -4.454 -5.713 -11.384 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -4.050 -7.018 -8.100 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -2.314 -6.696 -8.047 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -2.159 -5.277 -11.245 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -1.260 -5.729 -9.793 1.00 0.00 H new ATOM 1200 N LYS A 75 -8.423 -9.102 -8.733 1.00 0.00 N ATOM 1201 CA LYS A 75 -8.249 -10.102 -7.727 1.00 0.00 C ATOM 1202 C LYS A 75 -6.999 -9.767 -6.952 1.00 0.00 C ATOM 1203 O LYS A 75 -6.015 -9.269 -7.528 1.00 0.00 O ATOM 1204 CB LYS A 75 -8.197 -11.514 -8.301 1.00 0.00 C ATOM 1205 CG LYS A 75 -9.005 -12.507 -7.469 1.00 0.00 C ATOM 1206 CD LYS A 75 -10.507 -12.226 -7.612 1.00 0.00 C ATOM 1207 CE LYS A 75 -11.363 -13.074 -6.678 1.00 0.00 C ATOM 1208 NZ LYS A 75 -11.249 -12.653 -5.263 1.00 0.00 N ATOM 0 H LYS A 75 -8.272 -9.410 -9.693 1.00 0.00 H new ATOM 0 HA LYS A 75 -9.115 -10.097 -7.065 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -8.579 -11.503 -9.322 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -7.160 -11.845 -8.352 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -8.786 -13.525 -7.792 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -8.713 -12.436 -6.421 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -10.695 -11.171 -7.410 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -10.809 -12.412 -8.642 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -12.406 -13.011 -6.989 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -11.066 -14.119 -6.767 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -11.863 -13.250 -4.673 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -10.263 -12.754 -4.949 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -11.541 -11.659 -5.172 1.00 0.00 H new ATOM 1222 N GLY A 76 -7.059 -9.956 -5.676 1.00 0.00 N ATOM 1223 CA GLY A 76 -6.007 -9.546 -4.827 1.00 0.00 C ATOM 1224 C GLY A 76 -6.451 -8.349 -4.034 1.00 0.00 C ATOM 1225 O GLY A 76 -5.946 -8.089 -2.964 1.00 0.00 O ATOM 0 H GLY A 76 -7.843 -10.400 -5.198 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -5.727 -10.358 -4.156 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -5.123 -9.300 -5.416 1.00 0.00 H new ATOM 1229 N PHE A 77 -7.434 -7.617 -4.571 1.00 0.00 N ATOM 1230 CA PHE A 77 -7.955 -6.440 -3.907 1.00 0.00 C ATOM 1231 C PHE A 77 -8.840 -6.880 -2.760 1.00 0.00 C ATOM 1232 O PHE A 77 -8.832 -6.295 -1.686 1.00 0.00 O ATOM 1233 CB PHE A 77 -8.780 -5.593 -4.888 1.00 0.00 C ATOM 1234 CG PHE A 77 -9.127 -4.203 -4.402 1.00 0.00 C ATOM 1235 CD1 PHE A 77 -10.056 -3.996 -3.394 1.00 0.00 C ATOM 1236 CD2 PHE A 77 -8.519 -3.107 -4.969 1.00 0.00 C ATOM 1237 CE1 PHE A 77 -10.365 -2.724 -2.966 1.00 0.00 C ATOM 1238 CE2 PHE A 77 -8.824 -1.829 -4.549 1.00 0.00 C ATOM 1239 CZ PHE A 77 -9.750 -1.638 -3.545 1.00 0.00 C ATOM 0 H PHE A 77 -7.878 -7.828 -5.465 1.00 0.00 H new ATOM 0 HA PHE A 77 -7.125 -5.838 -3.537 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -8.227 -5.506 -5.823 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -9.705 -6.124 -5.113 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -10.544 -4.844 -2.938 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -7.792 -3.249 -5.755 1.00 0.00 H new ATOM 0 HE1 PHE A 77 -11.089 -2.579 -2.177 1.00 0.00 H new ATOM 0 HE2 PHE A 77 -8.338 -0.979 -5.006 1.00 0.00 H new ATOM 0 HZ PHE A 77 -9.992 -0.639 -3.214 1.00 0.00 H new ATOM 1249 N ASN A 78 -9.594 -7.940 -3.002 1.00 0.00 N ATOM 1250 CA ASN A 78 -10.544 -8.469 -2.021 1.00 0.00 C ATOM 1251 C ASN A 78 -9.738 -9.047 -0.888 1.00 0.00 C ATOM 1252 O ASN A 78 -9.970 -8.767 0.287 1.00 0.00 O ATOM 1253 CB ASN A 78 -11.397 -9.603 -2.640 1.00 0.00 C ATOM 1254 CG ASN A 78 -12.067 -9.259 -3.972 1.00 0.00 C ATOM 1255 OD1 ASN A 78 -12.250 -10.134 -4.821 1.00 0.00 O ATOM 1256 ND2 ASN A 78 -12.445 -8.014 -4.168 1.00 0.00 N ATOM 0 H ASN A 78 -9.570 -8.460 -3.879 1.00 0.00 H new ATOM 0 HA ASN A 78 -11.211 -7.674 -1.687 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -10.761 -10.476 -2.786 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -12.169 -9.887 -1.925 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -12.903 -7.751 -5.041 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -12.280 -7.311 -3.447 1.00 0.00 H new ATOM 1263 N GLU A 79 -8.764 -9.814 -1.291 1.00 0.00 N ATOM 1264 CA GLU A 79 -7.826 -10.474 -0.444 1.00 0.00 C ATOM 1265 C GLU A 79 -7.020 -9.442 0.353 1.00 0.00 C ATOM 1266 O GLU A 79 -6.801 -9.594 1.550 1.00 0.00 O ATOM 1267 CB GLU A 79 -6.877 -11.323 -1.314 1.00 0.00 C ATOM 1268 CG GLU A 79 -7.529 -12.490 -2.104 1.00 0.00 C ATOM 1269 CD GLU A 79 -8.519 -12.099 -3.225 1.00 0.00 C ATOM 1270 OE1 GLU A 79 -8.553 -10.919 -3.675 1.00 0.00 O ATOM 1271 OE2 GLU A 79 -9.273 -12.966 -3.684 1.00 0.00 O ATOM 0 H GLU A 79 -8.599 -10.003 -2.280 1.00 0.00 H new ATOM 0 HA GLU A 79 -8.357 -11.118 0.257 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -6.382 -10.662 -2.026 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -6.101 -11.737 -0.670 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -6.733 -13.089 -2.546 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -8.053 -13.131 -1.395 1.00 0.00 H new ATOM 1278 N GLY A 80 -6.619 -8.381 -0.323 1.00 0.00 N ATOM 1279 CA GLY A 80 -5.839 -7.335 0.289 1.00 0.00 C ATOM 1280 C GLY A 80 -6.608 -6.524 1.266 1.00 0.00 C ATOM 1281 O GLY A 80 -6.070 -6.124 2.293 1.00 0.00 O ATOM 0 H GLY A 80 -6.827 -8.225 -1.309 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -4.980 -7.779 0.792 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -5.449 -6.679 -0.490 1.00 0.00 H new ATOM 1285 N LEU A 81 -7.873 -6.281 0.961 1.00 0.00 N ATOM 1286 CA LEU A 81 -8.758 -5.572 1.834 1.00 0.00 C ATOM 1287 C LEU A 81 -8.916 -6.367 3.128 1.00 0.00 C ATOM 1288 O LEU A 81 -9.090 -5.807 4.198 1.00 0.00 O ATOM 1289 CB LEU A 81 -10.087 -5.409 1.121 1.00 0.00 C ATOM 1290 CG LEU A 81 -11.139 -4.550 1.782 1.00 0.00 C ATOM 1291 CD1 LEU A 81 -10.636 -3.120 1.948 1.00 0.00 C ATOM 1292 CD2 LEU A 81 -12.387 -4.580 0.937 1.00 0.00 C ATOM 0 H LEU A 81 -8.307 -6.579 0.087 1.00 0.00 H new ATOM 0 HA LEU A 81 -8.366 -4.587 2.086 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -9.888 -4.995 0.133 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -10.511 -6.402 0.971 1.00 0.00 H new ATOM 0 HG LEU A 81 -11.361 -4.940 2.775 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -11.407 -2.516 2.426 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -9.739 -3.119 2.567 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -10.401 -2.701 0.970 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -13.156 -3.964 1.402 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -12.163 -4.192 -0.057 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -12.745 -5.606 0.854 1.00 0.00 H new ATOM 1304 N TRP A 82 -8.824 -7.680 3.006 1.00 0.00 N ATOM 1305 CA TRP A 82 -8.847 -8.540 4.147 1.00 0.00 C ATOM 1306 C TRP A 82 -7.505 -8.470 4.893 1.00 0.00 C ATOM 1307 O TRP A 82 -7.478 -8.234 6.107 1.00 0.00 O ATOM 1308 CB TRP A 82 -9.184 -9.986 3.744 1.00 0.00 C ATOM 1309 CG TRP A 82 -9.066 -10.932 4.887 1.00 0.00 C ATOM 1310 CD1 TRP A 82 -9.961 -11.119 5.884 1.00 0.00 C ATOM 1311 CD2 TRP A 82 -7.970 -11.810 5.155 1.00 0.00 C ATOM 1312 NE1 TRP A 82 -9.477 -12.037 6.777 1.00 0.00 N ATOM 1313 CE2 TRP A 82 -8.261 -12.484 6.345 1.00 0.00 C ATOM 1314 CE3 TRP A 82 -6.772 -12.077 4.500 1.00 0.00 C ATOM 1315 CZ2 TRP A 82 -7.394 -13.416 6.905 1.00 0.00 C ATOM 1316 CZ3 TRP A 82 -5.906 -13.002 5.049 1.00 0.00 C ATOM 1317 CH2 TRP A 82 -6.223 -13.662 6.244 1.00 0.00 C ATOM 0 H TRP A 82 -8.732 -8.165 2.113 1.00 0.00 H new ATOM 0 HA TRP A 82 -9.632 -8.197 4.821 1.00 0.00 H new ATOM 0 HB2 TRP A 82 -10.199 -10.023 3.347 1.00 0.00 H new ATOM 0 HB3 TRP A 82 -8.517 -10.303 2.943 1.00 0.00 H new ATOM 0 HD1 TRP A 82 -10.915 -10.619 5.964 1.00 0.00 H new ATOM 0 HE1 TRP A 82 -9.949 -12.339 7.629 1.00 0.00 H new ATOM 0 HE3 TRP A 82 -6.524 -11.570 3.579 1.00 0.00 H new ATOM 0 HZ2 TRP A 82 -7.636 -13.925 7.826 1.00 0.00 H new ATOM 0 HZ3 TRP A 82 -4.973 -13.220 4.551 1.00 0.00 H new ATOM 0 HH2 TRP A 82 -5.527 -14.380 6.651 1.00 0.00 H new ATOM 1328 N GLU A 83 -6.393 -8.650 4.157 1.00 0.00 N ATOM 1329 CA GLU A 83 -5.057 -8.633 4.756 1.00 0.00 C ATOM 1330 C GLU A 83 -4.782 -7.375 5.532 1.00 0.00 C ATOM 1331 O GLU A 83 -4.340 -7.447 6.649 1.00 0.00 O ATOM 1332 CB GLU A 83 -3.918 -8.878 3.750 1.00 0.00 C ATOM 1333 CG GLU A 83 -3.739 -10.324 3.319 1.00 0.00 C ATOM 1334 CD GLU A 83 -2.413 -10.554 2.593 1.00 0.00 C ATOM 1335 OE1 GLU A 83 -2.053 -9.760 1.702 1.00 0.00 O ATOM 1336 OE2 GLU A 83 -1.701 -11.544 2.895 1.00 0.00 O ATOM 0 H GLU A 83 -6.399 -8.808 3.149 1.00 0.00 H new ATOM 0 HA GLU A 83 -5.070 -9.476 5.447 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -4.100 -8.271 2.863 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -2.984 -8.528 4.190 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -3.788 -10.970 4.195 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -4.563 -10.610 2.665 1.00 0.00 H new ATOM 1343 N ILE A 84 -5.106 -6.242 4.972 1.00 0.00 N ATOM 1344 CA ILE A 84 -4.797 -4.977 5.615 1.00 0.00 C ATOM 1345 C ILE A 84 -5.632 -4.751 6.891 1.00 0.00 C ATOM 1346 O ILE A 84 -5.175 -4.110 7.836 1.00 0.00 O ATOM 1347 CB ILE A 84 -4.969 -3.781 4.631 1.00 0.00 C ATOM 1348 CG1 ILE A 84 -4.437 -2.490 5.256 1.00 0.00 C ATOM 1349 CG2 ILE A 84 -6.432 -3.615 4.224 1.00 0.00 C ATOM 1350 CD1 ILE A 84 -4.361 -1.328 4.301 1.00 0.00 C ATOM 0 H ILE A 84 -5.583 -6.160 4.074 1.00 0.00 H new ATOM 0 HA ILE A 84 -3.750 -5.029 5.913 1.00 0.00 H new ATOM 0 HB ILE A 84 -4.389 -3.996 3.733 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -5.076 -2.215 6.095 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -3.443 -2.678 5.661 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -6.525 -2.774 3.537 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -6.779 -4.524 3.733 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -7.037 -3.428 5.111 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -3.974 -0.453 4.823 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -3.697 -1.580 3.474 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -5.356 -1.109 3.914 1.00 0.00 H new ATOM 1362 N ASP A 85 -6.813 -5.335 6.934 1.00 0.00 N ATOM 1363 CA ASP A 85 -7.726 -5.079 8.030 1.00 0.00 C ATOM 1364 C ASP A 85 -7.550 -6.131 9.123 1.00 0.00 C ATOM 1365 O ASP A 85 -7.982 -5.952 10.248 1.00 0.00 O ATOM 1366 CB ASP A 85 -9.164 -5.074 7.494 1.00 0.00 C ATOM 1367 CG ASP A 85 -10.076 -4.084 8.199 1.00 0.00 C ATOM 1368 OD1 ASP A 85 -9.729 -2.862 8.253 1.00 0.00 O ATOM 1369 OD2 ASP A 85 -11.217 -4.435 8.575 1.00 0.00 O ATOM 0 H ASP A 85 -7.161 -5.985 6.229 1.00 0.00 H new ATOM 0 HA ASP A 85 -7.509 -4.106 8.470 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -9.144 -4.842 6.429 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -9.583 -6.075 7.594 1.00 0.00 H new ATOM 1374 N ASN A 86 -6.903 -7.250 8.772 1.00 0.00 N ATOM 1375 CA ASN A 86 -6.664 -8.335 9.743 1.00 0.00 C ATOM 1376 C ASN A 86 -5.203 -8.439 10.109 1.00 0.00 C ATOM 1377 O ASN A 86 -4.833 -8.360 11.279 1.00 0.00 O ATOM 1378 CB ASN A 86 -7.151 -9.727 9.257 1.00 0.00 C ATOM 1379 CG ASN A 86 -8.658 -9.871 9.125 1.00 0.00 C ATOM 1380 OD1 ASN A 86 -9.222 -10.919 9.440 1.00 0.00 O ATOM 1381 ND2 ASN A 86 -9.299 -8.885 8.585 1.00 0.00 N ATOM 0 H ASN A 86 -6.538 -7.430 7.837 1.00 0.00 H new ATOM 0 HA ASN A 86 -7.254 -8.059 10.617 1.00 0.00 H new ATOM 0 HB2 ASN A 86 -6.695 -9.937 8.289 1.00 0.00 H new ATOM 0 HB3 ASN A 86 -6.788 -10.485 9.952 1.00 0.00 H new ATOM 0 HD21 ASN A 86 -10.301 -8.963 8.409 1.00 0.00 H new ATOM 0 HD22 ASN A 86 -8.803 -8.030 8.335 1.00 0.00 H new ATOM 1388 N ASN A 87 -4.359 -8.614 9.118 1.00 0.00 N ATOM 1389 CA ASN A 87 -2.930 -8.777 9.380 1.00 0.00 C ATOM 1390 C ASN A 87 -2.098 -7.808 8.535 1.00 0.00 C ATOM 1391 O ASN A 87 -1.472 -8.207 7.548 1.00 0.00 O ATOM 1392 CB ASN A 87 -2.480 -10.214 9.101 1.00 0.00 C ATOM 1393 CG ASN A 87 -1.083 -10.515 9.613 1.00 0.00 C ATOM 1394 OD1 ASN A 87 -0.898 -10.922 10.751 1.00 0.00 O ATOM 1395 ND2 ASN A 87 -0.097 -10.317 8.791 1.00 0.00 N ATOM 0 H ASN A 87 -4.623 -8.648 8.133 1.00 0.00 H new ATOM 0 HA ASN A 87 -2.768 -8.553 10.434 1.00 0.00 H new ATOM 0 HB2 ASN A 87 -3.186 -10.905 9.563 1.00 0.00 H new ATOM 0 HB3 ASN A 87 -2.513 -10.396 8.027 1.00 0.00 H new ATOM 0 HD21 ASN A 87 0.861 -10.502 9.089 1.00 0.00 H new ATOM 0 HD22 ASN A 87 -0.280 -9.977 7.847 1.00 0.00 H new ATOM 1402 N PRO A 88 -2.074 -6.526 8.897 1.00 0.00 N ATOM 1403 CA PRO A 88 -1.351 -5.499 8.134 1.00 0.00 C ATOM 1404 C PRO A 88 0.166 -5.587 8.303 1.00 0.00 C ATOM 1405 O PRO A 88 0.918 -4.871 7.651 1.00 0.00 O ATOM 1406 CB PRO A 88 -1.872 -4.190 8.708 1.00 0.00 C ATOM 1407 CG PRO A 88 -2.308 -4.518 10.092 1.00 0.00 C ATOM 1408 CD PRO A 88 -2.788 -5.938 10.058 1.00 0.00 C ATOM 0 HA PRO A 88 -1.519 -5.610 7.063 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -1.096 -3.424 8.710 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -2.701 -3.802 8.115 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -1.484 -4.403 10.796 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -3.103 -3.847 10.418 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -2.549 -6.463 10.983 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -3.869 -5.992 9.932 1.00 0.00 H new ATOM 1416 N LYS A 89 0.612 -6.476 9.172 1.00 0.00 N ATOM 1417 CA LYS A 89 2.017 -6.594 9.470 1.00 0.00 C ATOM 1418 C LYS A 89 2.681 -7.549 8.482 1.00 0.00 C ATOM 1419 O LYS A 89 3.856 -7.940 8.645 1.00 0.00 O ATOM 1420 CB LYS A 89 2.242 -7.054 10.932 1.00 0.00 C ATOM 1421 CG LYS A 89 1.795 -8.485 11.264 1.00 0.00 C ATOM 1422 CD LYS A 89 2.122 -8.826 12.722 1.00 0.00 C ATOM 1423 CE LYS A 89 1.963 -10.319 13.044 1.00 0.00 C ATOM 1424 NZ LYS A 89 0.566 -10.799 12.939 1.00 0.00 N ATOM 0 H LYS A 89 0.015 -7.126 9.682 1.00 0.00 H new ATOM 0 HA LYS A 89 2.478 -5.612 9.365 1.00 0.00 H new ATOM 0 HB2 LYS A 89 3.304 -6.964 11.161 1.00 0.00 H new ATOM 0 HB3 LYS A 89 1.714 -6.367 11.593 1.00 0.00 H new ATOM 0 HG2 LYS A 89 0.723 -8.586 11.092 1.00 0.00 H new ATOM 0 HG3 LYS A 89 2.292 -9.191 10.599 1.00 0.00 H new ATOM 0 HD2 LYS A 89 3.146 -8.521 12.939 1.00 0.00 H new ATOM 0 HD3 LYS A 89 1.471 -8.248 13.378 1.00 0.00 H new ATOM 0 HE2 LYS A 89 2.590 -10.898 12.366 1.00 0.00 H new ATOM 0 HE3 LYS A 89 2.328 -10.506 14.054 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 0.539 -11.826 13.102 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -0.020 -10.319 13.652 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 0.197 -10.589 11.989 1.00 0.00 H new