USER MOD reduce.3.24.130724 H: found=0, std=0, add=712, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 714 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 85 SER OG : rot -117:sc= 0.241 USER MOD Set 1.2: A 87 SER OG : rot 180:sc= 0.232 USER MOD Set 2.1: A 3 THR OG1 : rot 180:sc= 0.103 USER MOD Set 2.2: A 77 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 SER OG : rot -89:sc= -1.09 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 LYS NZ :NH3+ -116:sc= -0.0245 (180deg=-0.899) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 ASN : amide:sc= -0.117 K(o=-0.12,f=-2.1) USER MOD Single : A 36 THR OG1 : rot -175:sc= -1.18 USER MOD Single : A 38 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 HIS : no HE2:sc= -2.26 K(o=-2.3,f=-2.8!) USER MOD Single : A 59 CYS SG : rot 180:sc= 0 USER MOD Single : A 60 HIS : no HE2:sc= -0.228 K(o=-0.23,f=-0.78) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 TYR OH : rot 32:sc= -0.72 USER MOD Single : A 70 GLN : amide:sc= 0.641 K(o=0.64,f=-1.2) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0767) USER MOD Single : A 74 GLN : amide:sc= -1.25 K(o=-1.3,f=-4.9!) USER MOD Single : A 76 ASN : amide:sc= -0.952 K(o=-0.95,f=-4.3!) USER MOD Single : A 86 HIS : no HD1:sc= -0.636 X(o=-0.64,f=-0.21) USER MOD ----------------------------------------------------------------- ATOM 20 N LEU A 2 1.940 -6.551 11.570 1.00 0.00 N ATOM 21 CA LEU A 2 2.856 -7.219 10.653 1.00 0.00 C ATOM 22 C LEU A 2 4.047 -6.326 10.323 1.00 0.00 C ATOM 23 O LEU A 2 3.900 -5.114 10.164 1.00 0.00 O ATOM 24 CB LEU A 2 2.127 -7.612 9.367 1.00 0.00 C ATOM 25 CG LEU A 2 0.711 -8.153 9.563 1.00 0.00 C ATOM 26 CD1 LEU A 2 -0.284 -7.010 9.697 1.00 0.00 C ATOM 27 CD2 LEU A 2 0.325 -9.065 8.410 1.00 0.00 C ATOM 0 HA LEU A 2 3.226 -8.119 11.143 1.00 0.00 H new ATOM 0 HB2 LEU A 2 2.079 -6.740 8.714 1.00 0.00 H new ATOM 0 HB3 LEU A 2 2.719 -8.366 8.848 1.00 0.00 H new ATOM 0 HG LEU A 2 0.690 -8.736 10.484 1.00 0.00 H new ATOM 0 HD11 LEU A 2 -1.287 -7.415 9.836 1.00 0.00 H new ATOM 0 HD12 LEU A 2 -0.018 -6.395 10.557 1.00 0.00 H new ATOM 0 HD13 LEU A 2 -0.261 -6.400 8.794 1.00 0.00 H new ATOM 0 HD21 LEU A 2 -0.686 -9.441 8.566 1.00 0.00 H new ATOM 0 HD22 LEU A 2 0.364 -8.506 7.475 1.00 0.00 H new ATOM 0 HD23 LEU A 2 1.020 -9.903 8.361 1.00 0.00 H new ATOM 39 N THR A 3 5.224 -6.933 10.222 1.00 0.00 N ATOM 40 CA THR A 3 6.443 -6.195 9.908 1.00 0.00 C ATOM 41 C THR A 3 6.295 -5.436 8.594 1.00 0.00 C ATOM 42 O THR A 3 5.201 -5.350 8.039 1.00 0.00 O ATOM 43 CB THR A 3 7.634 -7.149 9.825 1.00 0.00 C ATOM 44 OG1 THR A 3 7.372 -8.343 10.537 1.00 0.00 O ATOM 45 CG2 THR A 3 8.915 -6.559 10.375 1.00 0.00 C ATOM 0 H THR A 3 5.361 -7.935 10.353 1.00 0.00 H new ATOM 0 HA THR A 3 6.618 -5.474 10.707 1.00 0.00 H new ATOM 0 HB THR A 3 7.771 -7.345 8.762 1.00 0.00 H new ATOM 0 HG1 THR A 3 8.146 -8.940 10.470 1.00 0.00 H new ATOM 0 HG21 THR A 3 9.720 -7.289 10.285 1.00 0.00 H new ATOM 0 HG22 THR A 3 9.174 -5.662 9.812 1.00 0.00 H new ATOM 0 HG23 THR A 3 8.775 -6.300 11.425 1.00 0.00 H new ATOM 53 N ILE A 4 7.400 -4.886 8.102 1.00 0.00 N ATOM 54 CA ILE A 4 7.390 -4.136 6.856 1.00 0.00 C ATOM 55 C ILE A 4 8.508 -4.597 5.926 1.00 0.00 C ATOM 56 O ILE A 4 9.643 -4.800 6.355 1.00 0.00 O ATOM 57 CB ILE A 4 7.541 -2.625 7.112 1.00 0.00 C ATOM 58 CG1 ILE A 4 6.531 -2.159 8.161 1.00 0.00 C ATOM 59 CG2 ILE A 4 7.369 -1.849 5.816 1.00 0.00 C ATOM 60 CD1 ILE A 4 7.094 -2.118 9.566 1.00 0.00 C ATOM 0 H ILE A 4 8.314 -4.947 8.550 1.00 0.00 H new ATOM 0 HA ILE A 4 6.427 -4.324 6.381 1.00 0.00 H new ATOM 0 HB ILE A 4 8.544 -2.434 7.495 1.00 0.00 H new ATOM 0 HG12 ILE A 4 6.173 -1.165 7.893 1.00 0.00 H new ATOM 0 HG13 ILE A 4 5.668 -2.824 8.143 1.00 0.00 H new ATOM 0 HG21 ILE A 4 7.478 -0.783 6.013 1.00 0.00 H new ATOM 0 HG22 ILE A 4 8.127 -2.165 5.099 1.00 0.00 H new ATOM 0 HG23 ILE A 4 6.378 -2.042 5.405 1.00 0.00 H new ATOM 0 HD11 ILE A 4 6.323 -1.779 10.257 1.00 0.00 H new ATOM 0 HD12 ILE A 4 7.426 -3.115 9.854 1.00 0.00 H new ATOM 0 HD13 ILE A 4 7.939 -1.430 9.599 1.00 0.00 H new ATOM 72 N GLU A 5 8.177 -4.756 4.647 1.00 0.00 N ATOM 73 CA GLU A 5 9.152 -5.189 3.653 1.00 0.00 C ATOM 74 C GLU A 5 9.157 -4.242 2.456 1.00 0.00 C ATOM 75 O GLU A 5 8.287 -3.381 2.333 1.00 0.00 O ATOM 76 CB GLU A 5 8.846 -6.618 3.193 1.00 0.00 C ATOM 77 CG GLU A 5 9.837 -7.647 3.710 1.00 0.00 C ATOM 78 CD GLU A 5 11.213 -7.491 3.094 1.00 0.00 C ATOM 79 OE1 GLU A 5 11.311 -7.501 1.850 1.00 0.00 O ATOM 80 OE2 GLU A 5 12.195 -7.360 3.857 1.00 0.00 O ATOM 0 H GLU A 5 7.241 -4.591 4.276 1.00 0.00 H new ATOM 0 HA GLU A 5 10.140 -5.172 4.113 1.00 0.00 H new ATOM 0 HB2 GLU A 5 7.844 -6.891 3.525 1.00 0.00 H new ATOM 0 HB3 GLU A 5 8.840 -6.647 2.103 1.00 0.00 H new ATOM 0 HG2 GLU A 5 9.916 -7.558 4.794 1.00 0.00 H new ATOM 0 HG3 GLU A 5 9.460 -8.648 3.499 1.00 0.00 H new ATOM 87 N THR A 6 10.139 -4.406 1.576 1.00 0.00 N ATOM 88 CA THR A 6 10.249 -3.561 0.393 1.00 0.00 C ATOM 89 C THR A 6 10.610 -4.386 -0.839 1.00 0.00 C ATOM 90 O THR A 6 11.024 -5.540 -0.727 1.00 0.00 O ATOM 91 CB THR A 6 11.298 -2.471 0.614 1.00 0.00 C ATOM 92 OG1 THR A 6 12.607 -3.009 0.532 1.00 0.00 O ATOM 93 CG2 THR A 6 11.169 -1.779 1.954 1.00 0.00 C ATOM 0 H THR A 6 10.868 -5.114 1.659 1.00 0.00 H new ATOM 0 HA THR A 6 9.279 -3.095 0.223 1.00 0.00 H new ATOM 0 HB THR A 6 11.123 -1.738 -0.174 1.00 0.00 H new ATOM 0 HG1 THR A 6 13.263 -2.295 0.674 1.00 0.00 H new ATOM 0 HG21 THR A 6 11.943 -1.017 2.046 1.00 0.00 H new ATOM 0 HG22 THR A 6 10.188 -1.310 2.028 1.00 0.00 H new ATOM 0 HG23 THR A 6 11.283 -2.511 2.754 1.00 0.00 H new ATOM 101 N SER A 7 10.449 -3.784 -2.013 1.00 0.00 N ATOM 102 CA SER A 7 10.755 -4.458 -3.268 1.00 0.00 C ATOM 103 C SER A 7 11.619 -3.575 -4.164 1.00 0.00 C ATOM 104 O SER A 7 12.038 -2.490 -3.763 1.00 0.00 O ATOM 105 CB SER A 7 9.464 -4.835 -3.997 1.00 0.00 C ATOM 106 OG SER A 7 8.400 -3.974 -3.628 1.00 0.00 O ATOM 0 H SER A 7 10.108 -2.829 -2.121 1.00 0.00 H new ATOM 0 HA SER A 7 11.312 -5.366 -3.037 1.00 0.00 H new ATOM 0 HB2 SER A 7 9.622 -4.782 -5.074 1.00 0.00 H new ATOM 0 HB3 SER A 7 9.199 -5.866 -3.764 1.00 0.00 H new ATOM 0 HG SER A 7 7.941 -4.339 -2.843 1.00 0.00 H new ATOM 112 N LYS A 8 11.881 -4.049 -5.379 1.00 0.00 N ATOM 113 CA LYS A 8 12.694 -3.302 -6.330 1.00 0.00 C ATOM 114 C LYS A 8 11.932 -2.095 -6.870 1.00 0.00 C ATOM 115 O LYS A 8 12.419 -0.966 -6.817 1.00 0.00 O ATOM 116 CB LYS A 8 13.122 -4.205 -7.488 1.00 0.00 C ATOM 117 CG LYS A 8 13.606 -5.578 -7.043 1.00 0.00 C ATOM 118 CD LYS A 8 12.511 -6.625 -7.178 1.00 0.00 C ATOM 119 CE LYS A 8 12.696 -7.466 -8.430 1.00 0.00 C ATOM 120 NZ LYS A 8 11.659 -8.530 -8.542 1.00 0.00 N ATOM 0 H LYS A 8 11.542 -4.946 -5.727 1.00 0.00 H new ATOM 0 HA LYS A 8 13.581 -2.946 -5.807 1.00 0.00 H new ATOM 0 HB2 LYS A 8 12.282 -4.329 -8.171 1.00 0.00 H new ATOM 0 HB3 LYS A 8 13.917 -3.712 -8.047 1.00 0.00 H new ATOM 0 HG2 LYS A 8 14.468 -5.873 -7.641 1.00 0.00 H new ATOM 0 HG3 LYS A 8 13.939 -5.529 -6.006 1.00 0.00 H new ATOM 0 HD2 LYS A 8 12.514 -7.271 -6.300 1.00 0.00 H new ATOM 0 HD3 LYS A 8 11.538 -6.134 -7.209 1.00 0.00 H new ATOM 0 HE2 LYS A 8 12.653 -6.823 -9.309 1.00 0.00 H new ATOM 0 HE3 LYS A 8 13.685 -7.923 -8.418 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 11.820 -9.082 -9.409 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 11.716 -9.159 -7.716 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 10.716 -8.093 -8.580 1.00 0.00 H new ATOM 134 N LYS A 9 10.732 -2.342 -7.386 1.00 0.00 N ATOM 135 CA LYS A 9 9.902 -1.276 -7.935 1.00 0.00 C ATOM 136 C LYS A 9 9.536 -0.261 -6.857 1.00 0.00 C ATOM 137 O LYS A 9 9.457 0.938 -7.122 1.00 0.00 O ATOM 138 CB LYS A 9 8.630 -1.861 -8.553 1.00 0.00 C ATOM 139 CG LYS A 9 8.891 -2.748 -9.759 1.00 0.00 C ATOM 140 CD LYS A 9 7.631 -2.950 -10.586 1.00 0.00 C ATOM 141 CE LYS A 9 7.618 -4.311 -11.258 1.00 0.00 C ATOM 142 NZ LYS A 9 6.910 -4.279 -12.568 1.00 0.00 N ATOM 0 H LYS A 9 10.313 -3.271 -7.435 1.00 0.00 H new ATOM 0 HA LYS A 9 10.474 -0.766 -8.710 1.00 0.00 H new ATOM 0 HB2 LYS A 9 8.101 -2.439 -7.795 1.00 0.00 H new ATOM 0 HB3 LYS A 9 7.971 -1.045 -8.849 1.00 0.00 H new ATOM 0 HG2 LYS A 9 9.667 -2.300 -10.380 1.00 0.00 H new ATOM 0 HG3 LYS A 9 9.268 -3.715 -9.426 1.00 0.00 H new ATOM 0 HD2 LYS A 9 6.755 -2.851 -9.946 1.00 0.00 H new ATOM 0 HD3 LYS A 9 7.562 -2.169 -11.343 1.00 0.00 H new ATOM 0 HE2 LYS A 9 8.643 -4.651 -11.408 1.00 0.00 H new ATOM 0 HE3 LYS A 9 7.134 -5.035 -10.602 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 6.924 -5.228 -12.993 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 5.925 -3.979 -12.423 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 7.386 -3.608 -13.204 1.00 0.00 H new ATOM 156 N PHE A 10 9.313 -0.750 -5.642 1.00 0.00 N ATOM 157 CA PHE A 10 8.954 0.115 -4.522 1.00 0.00 C ATOM 158 C PHE A 10 10.042 1.152 -4.264 1.00 0.00 C ATOM 159 O PHE A 10 9.756 2.278 -3.854 1.00 0.00 O ATOM 160 CB PHE A 10 8.718 -0.719 -3.262 1.00 0.00 C ATOM 161 CG PHE A 10 8.164 0.076 -2.114 1.00 0.00 C ATOM 162 CD1 PHE A 10 6.991 0.799 -2.257 1.00 0.00 C ATOM 163 CD2 PHE A 10 8.817 0.099 -0.891 1.00 0.00 C ATOM 164 CE1 PHE A 10 6.478 1.529 -1.202 1.00 0.00 C ATOM 165 CE2 PHE A 10 8.309 0.829 0.166 1.00 0.00 C ATOM 166 CZ PHE A 10 7.138 1.545 0.011 1.00 0.00 C ATOM 0 H PHE A 10 9.374 -1.741 -5.407 1.00 0.00 H new ATOM 0 HA PHE A 10 8.034 0.638 -4.780 1.00 0.00 H new ATOM 0 HB2 PHE A 10 8.030 -1.531 -3.497 1.00 0.00 H new ATOM 0 HB3 PHE A 10 9.659 -1.176 -2.957 1.00 0.00 H new ATOM 0 HD1 PHE A 10 6.472 0.792 -3.204 1.00 0.00 H new ATOM 0 HD2 PHE A 10 9.732 -0.460 -0.763 1.00 0.00 H new ATOM 0 HE1 PHE A 10 5.561 2.087 -1.326 1.00 0.00 H new ATOM 0 HE2 PHE A 10 8.827 0.840 1.113 1.00 0.00 H new ATOM 0 HZ PHE A 10 6.739 2.116 0.837 1.00 0.00 H new ATOM 176 N ASP A 11 11.290 0.769 -4.507 1.00 0.00 N ATOM 177 CA ASP A 11 12.421 1.666 -4.301 1.00 0.00 C ATOM 178 C ASP A 11 12.432 2.775 -5.348 1.00 0.00 C ATOM 179 O ASP A 11 12.713 3.933 -5.038 1.00 0.00 O ATOM 180 CB ASP A 11 13.736 0.886 -4.352 1.00 0.00 C ATOM 181 CG ASP A 11 14.753 1.403 -3.354 1.00 0.00 C ATOM 182 OD1 ASP A 11 14.338 1.930 -2.302 1.00 0.00 O ATOM 183 OD2 ASP A 11 15.967 1.279 -3.626 1.00 0.00 O ATOM 0 H ASP A 11 11.545 -0.158 -4.847 1.00 0.00 H new ATOM 0 HA ASP A 11 12.317 2.121 -3.316 1.00 0.00 H new ATOM 0 HB2 ASP A 11 13.539 -0.167 -4.153 1.00 0.00 H new ATOM 0 HB3 ASP A 11 14.153 0.948 -5.357 1.00 0.00 H new ATOM 188 N LYS A 12 12.123 2.412 -6.589 1.00 0.00 N ATOM 189 CA LYS A 12 12.096 3.375 -7.684 1.00 0.00 C ATOM 190 C LYS A 12 10.814 4.211 -7.659 1.00 0.00 C ATOM 191 O LYS A 12 10.654 5.135 -8.456 1.00 0.00 O ATOM 192 CB LYS A 12 12.217 2.651 -9.027 1.00 0.00 C ATOM 193 CG LYS A 12 13.463 1.787 -9.139 1.00 0.00 C ATOM 194 CD LYS A 12 13.138 0.405 -9.687 1.00 0.00 C ATOM 195 CE LYS A 12 14.397 -0.357 -10.068 1.00 0.00 C ATOM 196 NZ LYS A 12 14.301 -0.944 -11.432 1.00 0.00 N ATOM 0 H LYS A 12 11.888 1.458 -6.861 1.00 0.00 H new ATOM 0 HA LYS A 12 12.944 4.048 -7.558 1.00 0.00 H new ATOM 0 HB2 LYS A 12 11.336 2.026 -9.175 1.00 0.00 H new ATOM 0 HB3 LYS A 12 12.222 3.389 -9.829 1.00 0.00 H new ATOM 0 HG2 LYS A 12 14.188 2.276 -9.789 1.00 0.00 H new ATOM 0 HG3 LYS A 12 13.929 1.690 -8.158 1.00 0.00 H new ATOM 0 HD2 LYS A 12 12.581 -0.161 -8.940 1.00 0.00 H new ATOM 0 HD3 LYS A 12 12.493 0.502 -10.560 1.00 0.00 H new ATOM 0 HE2 LYS A 12 15.255 0.314 -10.021 1.00 0.00 H new ATOM 0 HE3 LYS A 12 14.574 -1.151 -9.343 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 15.180 -1.455 -11.653 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 13.498 -1.604 -11.470 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 14.158 -0.184 -12.128 1.00 0.00 H new ATOM 210 N ASP A 13 9.904 3.880 -6.746 1.00 0.00 N ATOM 211 CA ASP A 13 8.642 4.602 -6.629 1.00 0.00 C ATOM 212 C ASP A 13 8.765 5.773 -5.659 1.00 0.00 C ATOM 213 O ASP A 13 8.493 6.919 -6.016 1.00 0.00 O ATOM 214 CB ASP A 13 7.533 3.656 -6.163 1.00 0.00 C ATOM 215 CG ASP A 13 6.746 3.073 -7.321 1.00 0.00 C ATOM 216 OD1 ASP A 13 6.087 3.853 -8.041 1.00 0.00 O ATOM 217 OD2 ASP A 13 6.787 1.839 -7.506 1.00 0.00 O ATOM 0 H ASP A 13 10.018 3.118 -6.078 1.00 0.00 H new ATOM 0 HA ASP A 13 8.389 4.997 -7.613 1.00 0.00 H new ATOM 0 HB2 ASP A 13 7.971 2.846 -5.581 1.00 0.00 H new ATOM 0 HB3 ASP A 13 6.855 4.194 -5.501 1.00 0.00 H new ATOM 222 N LEU A 14 9.173 5.476 -4.429 1.00 0.00 N ATOM 223 CA LEU A 14 9.329 6.504 -3.403 1.00 0.00 C ATOM 224 C LEU A 14 10.248 7.626 -3.880 1.00 0.00 C ATOM 225 O LEU A 14 10.028 8.796 -3.568 1.00 0.00 O ATOM 226 CB LEU A 14 9.881 5.888 -2.116 1.00 0.00 C ATOM 227 CG LEU A 14 8.827 5.512 -1.074 1.00 0.00 C ATOM 228 CD1 LEU A 14 8.093 6.752 -0.585 1.00 0.00 C ATOM 229 CD2 LEU A 14 7.846 4.501 -1.649 1.00 0.00 C ATOM 0 H LEU A 14 9.402 4.532 -4.118 1.00 0.00 H new ATOM 0 HA LEU A 14 8.346 6.931 -3.204 1.00 0.00 H new ATOM 0 HB2 LEU A 14 10.450 4.995 -2.374 1.00 0.00 H new ATOM 0 HB3 LEU A 14 10.580 6.592 -1.665 1.00 0.00 H new ATOM 0 HG LEU A 14 9.332 5.055 -0.223 1.00 0.00 H new ATOM 0 HD11 LEU A 14 7.347 6.465 0.156 1.00 0.00 H new ATOM 0 HD12 LEU A 14 8.806 7.442 -0.134 1.00 0.00 H new ATOM 0 HD13 LEU A 14 7.600 7.239 -1.427 1.00 0.00 H new ATOM 0 HD21 LEU A 14 7.103 4.245 -0.894 1.00 0.00 H new ATOM 0 HD22 LEU A 14 7.347 4.931 -2.517 1.00 0.00 H new ATOM 0 HD23 LEU A 14 8.384 3.602 -1.948 1.00 0.00 H new ATOM 241 N LYS A 15 11.279 7.260 -4.634 1.00 0.00 N ATOM 242 CA LYS A 15 12.232 8.237 -5.149 1.00 0.00 C ATOM 243 C LYS A 15 11.531 9.282 -6.013 1.00 0.00 C ATOM 244 O LYS A 15 11.965 10.431 -6.087 1.00 0.00 O ATOM 245 CB LYS A 15 13.323 7.538 -5.961 1.00 0.00 C ATOM 246 CG LYS A 15 12.781 6.592 -7.021 1.00 0.00 C ATOM 247 CD LYS A 15 13.805 6.334 -8.114 1.00 0.00 C ATOM 248 CE LYS A 15 14.966 5.498 -7.605 1.00 0.00 C ATOM 249 NZ LYS A 15 15.454 4.538 -8.634 1.00 0.00 N ATOM 0 H LYS A 15 11.476 6.296 -4.902 1.00 0.00 H new ATOM 0 HA LYS A 15 12.688 8.743 -4.298 1.00 0.00 H new ATOM 0 HB2 LYS A 15 13.945 8.292 -6.443 1.00 0.00 H new ATOM 0 HB3 LYS A 15 13.968 6.979 -5.283 1.00 0.00 H new ATOM 0 HG2 LYS A 15 12.497 5.648 -6.556 1.00 0.00 H new ATOM 0 HG3 LYS A 15 11.878 7.015 -7.460 1.00 0.00 H new ATOM 0 HD2 LYS A 15 13.326 5.823 -8.949 1.00 0.00 H new ATOM 0 HD3 LYS A 15 14.179 7.284 -8.495 1.00 0.00 H new ATOM 0 HE2 LYS A 15 15.783 6.155 -7.306 1.00 0.00 H new ATOM 0 HE3 LYS A 15 14.656 4.950 -6.715 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 15.299 3.565 -8.302 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 14.935 4.688 -9.523 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 16.470 4.690 -8.797 1.00 0.00 H new ATOM 263 N ILE A 16 10.448 8.874 -6.666 1.00 0.00 N ATOM 264 CA ILE A 16 9.689 9.776 -7.526 1.00 0.00 C ATOM 265 C ILE A 16 8.717 10.625 -6.715 1.00 0.00 C ATOM 266 O ILE A 16 8.411 11.758 -7.085 1.00 0.00 O ATOM 267 CB ILE A 16 8.903 9.001 -8.600 1.00 0.00 C ATOM 268 CG1 ILE A 16 9.815 7.992 -9.301 1.00 0.00 C ATOM 269 CG2 ILE A 16 8.293 9.963 -9.608 1.00 0.00 C ATOM 270 CD1 ILE A 16 10.936 8.636 -10.088 1.00 0.00 C ATOM 0 H ILE A 16 10.076 7.926 -6.617 1.00 0.00 H new ATOM 0 HA ILE A 16 10.413 10.427 -8.015 1.00 0.00 H new ATOM 0 HB ILE A 16 8.094 8.455 -8.114 1.00 0.00 H new ATOM 0 HG12 ILE A 16 10.243 7.322 -8.555 1.00 0.00 H new ATOM 0 HG13 ILE A 16 9.216 7.378 -9.974 1.00 0.00 H new ATOM 0 HG21 ILE A 16 7.741 9.400 -10.360 1.00 0.00 H new ATOM 0 HG22 ILE A 16 7.615 10.645 -9.095 1.00 0.00 H new ATOM 0 HG23 ILE A 16 9.086 10.534 -10.092 1.00 0.00 H new ATOM 0 HD11 ILE A 16 11.542 7.862 -10.558 1.00 0.00 H new ATOM 0 HD12 ILE A 16 10.515 9.284 -10.857 1.00 0.00 H new ATOM 0 HD13 ILE A 16 11.559 9.227 -9.417 1.00 0.00 H new ATOM 282 N LEU A 17 8.234 10.070 -5.607 1.00 0.00 N ATOM 283 CA LEU A 17 7.295 10.780 -4.746 1.00 0.00 C ATOM 284 C LEU A 17 8.028 11.738 -3.813 1.00 0.00 C ATOM 285 O LEU A 17 7.567 12.851 -3.561 1.00 0.00 O ATOM 286 CB LEU A 17 6.468 9.786 -3.928 1.00 0.00 C ATOM 287 CG LEU A 17 5.431 8.994 -4.726 1.00 0.00 C ATOM 288 CD1 LEU A 17 4.911 7.821 -3.910 1.00 0.00 C ATOM 289 CD2 LEU A 17 4.284 9.898 -5.153 1.00 0.00 C ATOM 0 H LEU A 17 8.477 9.133 -5.285 1.00 0.00 H new ATOM 0 HA LEU A 17 6.627 11.361 -5.382 1.00 0.00 H new ATOM 0 HB2 LEU A 17 7.147 9.083 -3.445 1.00 0.00 H new ATOM 0 HB3 LEU A 17 5.955 10.330 -3.135 1.00 0.00 H new ATOM 0 HG LEU A 17 5.912 8.602 -5.622 1.00 0.00 H new ATOM 0 HD11 LEU A 17 4.174 7.269 -4.494 1.00 0.00 H new ATOM 0 HD12 LEU A 17 5.739 7.160 -3.654 1.00 0.00 H new ATOM 0 HD13 LEU A 17 4.446 8.191 -2.996 1.00 0.00 H new ATOM 0 HD21 LEU A 17 3.555 9.318 -5.720 1.00 0.00 H new ATOM 0 HD22 LEU A 17 3.804 10.319 -4.269 1.00 0.00 H new ATOM 0 HD23 LEU A 17 4.669 10.705 -5.776 1.00 0.00 H new ATOM 301 N VAL A 18 9.174 11.298 -3.301 1.00 0.00 N ATOM 302 CA VAL A 18 9.971 12.118 -2.396 1.00 0.00 C ATOM 303 C VAL A 18 10.395 13.421 -3.066 1.00 0.00 C ATOM 304 O VAL A 18 10.505 14.460 -2.414 1.00 0.00 O ATOM 305 CB VAL A 18 11.227 11.363 -1.914 1.00 0.00 C ATOM 306 CG1 VAL A 18 12.138 11.030 -3.086 1.00 0.00 C ATOM 307 CG2 VAL A 18 11.968 12.174 -0.863 1.00 0.00 C ATOM 0 H VAL A 18 9.571 10.379 -3.498 1.00 0.00 H new ATOM 0 HA VAL A 18 9.342 12.345 -1.535 1.00 0.00 H new ATOM 0 HB VAL A 18 10.910 10.425 -1.457 1.00 0.00 H new ATOM 0 HG11 VAL A 18 13.017 10.498 -2.723 1.00 0.00 H new ATOM 0 HG12 VAL A 18 11.601 10.402 -3.797 1.00 0.00 H new ATOM 0 HG13 VAL A 18 12.449 11.951 -3.578 1.00 0.00 H new ATOM 0 HG21 VAL A 18 12.851 11.625 -0.535 1.00 0.00 H new ATOM 0 HG22 VAL A 18 12.273 13.130 -1.289 1.00 0.00 H new ATOM 0 HG23 VAL A 18 11.313 12.349 -0.010 1.00 0.00 H new ATOM 317 N LYS A 19 10.630 13.359 -4.374 1.00 0.00 N ATOM 318 CA LYS A 19 11.041 14.532 -5.133 1.00 0.00 C ATOM 319 C LYS A 19 9.846 15.428 -5.444 1.00 0.00 C ATOM 320 O LYS A 19 9.984 16.646 -5.559 1.00 0.00 O ATOM 321 CB LYS A 19 11.727 14.109 -6.435 1.00 0.00 C ATOM 322 CG LYS A 19 12.365 15.263 -7.191 1.00 0.00 C ATOM 323 CD LYS A 19 12.909 14.814 -8.536 1.00 0.00 C ATOM 324 CE LYS A 19 13.159 15.997 -9.458 1.00 0.00 C ATOM 325 NZ LYS A 19 14.540 16.534 -9.312 1.00 0.00 N ATOM 0 H LYS A 19 10.542 12.508 -4.929 1.00 0.00 H new ATOM 0 HA LYS A 19 11.747 15.097 -4.524 1.00 0.00 H new ATOM 0 HB2 LYS A 19 12.493 13.367 -6.208 1.00 0.00 H new ATOM 0 HB3 LYS A 19 10.995 13.624 -7.080 1.00 0.00 H new ATOM 0 HG2 LYS A 19 11.629 16.053 -7.340 1.00 0.00 H new ATOM 0 HG3 LYS A 19 13.172 15.688 -6.594 1.00 0.00 H new ATOM 0 HD2 LYS A 19 13.838 14.263 -8.389 1.00 0.00 H new ATOM 0 HD3 LYS A 19 12.203 14.128 -9.005 1.00 0.00 H new ATOM 0 HE2 LYS A 19 12.996 15.692 -10.492 1.00 0.00 H new ATOM 0 HE3 LYS A 19 12.438 16.785 -9.240 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 14.669 17.339 -9.958 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 14.688 16.849 -8.332 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 15.228 15.790 -9.544 1.00 0.00 H new ATOM 339 N ASN A 20 8.673 14.817 -5.578 1.00 0.00 N ATOM 340 CA ASN A 20 7.454 15.561 -5.875 1.00 0.00 C ATOM 341 C ASN A 20 6.650 15.821 -4.603 1.00 0.00 C ATOM 342 O ASN A 20 5.425 15.931 -4.643 1.00 0.00 O ATOM 343 CB ASN A 20 6.600 14.793 -6.888 1.00 0.00 C ATOM 344 CG ASN A 20 6.566 15.471 -8.244 1.00 0.00 C ATOM 345 OD1 ASN A 20 5.646 16.233 -8.548 1.00 0.00 O ATOM 346 ND2 ASN A 20 7.570 15.196 -9.068 1.00 0.00 N ATOM 0 H ASN A 20 8.541 13.810 -5.486 1.00 0.00 H new ATOM 0 HA ASN A 20 7.738 16.522 -6.304 1.00 0.00 H new ATOM 0 HB2 ASN A 20 6.993 13.783 -6.999 1.00 0.00 H new ATOM 0 HB3 ASN A 20 5.584 14.699 -6.506 1.00 0.00 H new ATOM 0 HD21 ASN A 20 7.601 15.622 -9.994 1.00 0.00 H new ATOM 0 HD22 ASN A 20 8.311 14.559 -8.775 1.00 0.00 H new ATOM 353 N GLY A 21 7.348 15.918 -3.476 1.00 0.00 N ATOM 354 CA GLY A 21 6.683 16.165 -2.210 1.00 0.00 C ATOM 355 C GLY A 21 6.222 14.888 -1.535 1.00 0.00 C ATOM 356 O GLY A 21 5.144 14.376 -1.832 1.00 0.00 O ATOM 0 H GLY A 21 8.362 15.830 -3.417 1.00 0.00 H new ATOM 0 HA2 GLY A 21 7.362 16.698 -1.545 1.00 0.00 H new ATOM 0 HA3 GLY A 21 5.824 16.815 -2.376 1.00 0.00 H new ATOM 360 N PHE A 22 7.043 14.374 -0.625 1.00 0.00 N ATOM 361 CA PHE A 22 6.714 13.151 0.096 1.00 0.00 C ATOM 362 C PHE A 22 7.783 12.826 1.136 1.00 0.00 C ATOM 363 O PHE A 22 8.850 12.313 0.804 1.00 0.00 O ATOM 364 CB PHE A 22 6.567 11.982 -0.880 1.00 0.00 C ATOM 365 CG PHE A 22 5.800 10.820 -0.316 1.00 0.00 C ATOM 366 CD1 PHE A 22 6.424 9.900 0.512 1.00 0.00 C ATOM 367 CD2 PHE A 22 4.458 10.649 -0.612 1.00 0.00 C ATOM 368 CE1 PHE A 22 5.722 8.829 1.034 1.00 0.00 C ATOM 369 CE2 PHE A 22 3.751 9.580 -0.093 1.00 0.00 C ATOM 370 CZ PHE A 22 4.384 8.669 0.730 1.00 0.00 C ATOM 0 H PHE A 22 7.941 14.786 -0.370 1.00 0.00 H new ATOM 0 HA PHE A 22 5.766 13.308 0.611 1.00 0.00 H new ATOM 0 HB2 PHE A 22 6.066 12.334 -1.782 1.00 0.00 H new ATOM 0 HB3 PHE A 22 7.559 11.642 -1.178 1.00 0.00 H new ATOM 0 HD1 PHE A 22 7.470 10.021 0.752 1.00 0.00 H new ATOM 0 HD2 PHE A 22 3.958 11.358 -1.255 1.00 0.00 H new ATOM 0 HE1 PHE A 22 6.219 8.119 1.678 1.00 0.00 H new ATOM 0 HE2 PHE A 22 2.705 9.457 -0.331 1.00 0.00 H new ATOM 0 HZ PHE A 22 3.834 7.833 1.135 1.00 0.00 H new ATOM 380 N ASP A 23 7.487 13.133 2.394 1.00 0.00 N ATOM 381 CA ASP A 23 8.422 12.876 3.484 1.00 0.00 C ATOM 382 C ASP A 23 8.742 11.387 3.586 1.00 0.00 C ATOM 383 O ASP A 23 8.419 10.610 2.688 1.00 0.00 O ATOM 384 CB ASP A 23 7.845 13.380 4.808 1.00 0.00 C ATOM 385 CG ASP A 23 8.891 14.055 5.674 1.00 0.00 C ATOM 386 OD1 ASP A 23 9.869 14.592 5.115 1.00 0.00 O ATOM 387 OD2 ASP A 23 8.732 14.047 6.914 1.00 0.00 O ATOM 0 H ASP A 23 6.607 13.560 2.685 1.00 0.00 H new ATOM 0 HA ASP A 23 9.346 13.413 3.272 1.00 0.00 H new ATOM 0 HB2 ASP A 23 7.037 14.083 4.605 1.00 0.00 H new ATOM 0 HB3 ASP A 23 7.410 12.543 5.354 1.00 0.00 H new ATOM 392 N LEU A 24 9.379 10.997 4.685 1.00 0.00 N ATOM 393 CA LEU A 24 9.745 9.601 4.903 1.00 0.00 C ATOM 394 C LEU A 24 9.065 9.046 6.151 1.00 0.00 C ATOM 395 O LEU A 24 8.614 7.901 6.168 1.00 0.00 O ATOM 396 CB LEU A 24 11.262 9.464 5.032 1.00 0.00 C ATOM 397 CG LEU A 24 12.031 9.490 3.708 1.00 0.00 C ATOM 398 CD1 LEU A 24 11.745 8.233 2.901 1.00 0.00 C ATOM 399 CD2 LEU A 24 11.673 10.734 2.910 1.00 0.00 C ATOM 0 H LEU A 24 9.653 11.627 5.439 1.00 0.00 H new ATOM 0 HA LEU A 24 9.406 9.025 4.042 1.00 0.00 H new ATOM 0 HB2 LEU A 24 11.632 10.271 5.665 1.00 0.00 H new ATOM 0 HB3 LEU A 24 11.485 8.529 5.545 1.00 0.00 H new ATOM 0 HG LEU A 24 13.098 9.519 3.928 1.00 0.00 H new ATOM 0 HD11 LEU A 24 12.300 8.269 1.963 1.00 0.00 H new ATOM 0 HD12 LEU A 24 12.052 7.357 3.472 1.00 0.00 H new ATOM 0 HD13 LEU A 24 10.678 8.172 2.689 1.00 0.00 H new ATOM 0 HD21 LEU A 24 12.228 10.737 1.972 1.00 0.00 H new ATOM 0 HD22 LEU A 24 10.604 10.736 2.699 1.00 0.00 H new ATOM 0 HD23 LEU A 24 11.930 11.623 3.487 1.00 0.00 H new ATOM 411 N LYS A 25 8.998 9.865 7.197 1.00 0.00 N ATOM 412 CA LYS A 25 8.378 9.456 8.451 1.00 0.00 C ATOM 413 C LYS A 25 6.876 9.243 8.280 1.00 0.00 C ATOM 414 O LYS A 25 6.263 8.466 9.012 1.00 0.00 O ATOM 415 CB LYS A 25 8.636 10.501 9.536 1.00 0.00 C ATOM 416 CG LYS A 25 10.107 10.828 9.730 1.00 0.00 C ATOM 417 CD LYS A 25 10.388 11.318 11.140 1.00 0.00 C ATOM 418 CE LYS A 25 11.640 12.181 11.192 1.00 0.00 C ATOM 419 NZ LYS A 25 11.314 13.633 11.174 1.00 0.00 N ATOM 0 H LYS A 25 9.366 10.816 7.200 1.00 0.00 H new ATOM 0 HA LYS A 25 8.825 8.509 8.752 1.00 0.00 H new ATOM 0 HB2 LYS A 25 8.100 11.415 9.282 1.00 0.00 H new ATOM 0 HB3 LYS A 25 8.225 10.142 10.479 1.00 0.00 H new ATOM 0 HG2 LYS A 25 10.708 9.942 9.525 1.00 0.00 H new ATOM 0 HG3 LYS A 25 10.409 11.590 9.012 1.00 0.00 H new ATOM 0 HD2 LYS A 25 9.535 11.891 11.504 1.00 0.00 H new ATOM 0 HD3 LYS A 25 10.506 10.464 11.806 1.00 0.00 H new ATOM 0 HE2 LYS A 25 12.205 11.947 12.094 1.00 0.00 H new ATOM 0 HE3 LYS A 25 12.281 11.942 10.343 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 12.194 14.187 11.211 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 10.797 13.862 10.301 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 10.723 13.866 11.998 1.00 0.00 H new ATOM 433 N LEU A 26 6.286 9.943 7.314 1.00 0.00 N ATOM 434 CA LEU A 26 4.855 9.830 7.055 1.00 0.00 C ATOM 435 C LEU A 26 4.467 8.387 6.740 1.00 0.00 C ATOM 436 O LEU A 26 3.439 7.895 7.208 1.00 0.00 O ATOM 437 CB LEU A 26 4.449 10.745 5.896 1.00 0.00 C ATOM 438 CG LEU A 26 4.954 10.314 4.517 1.00 0.00 C ATOM 439 CD1 LEU A 26 4.034 9.264 3.912 1.00 0.00 C ATOM 440 CD2 LEU A 26 5.071 11.521 3.596 1.00 0.00 C ATOM 0 H LEU A 26 6.776 10.593 6.699 1.00 0.00 H new ATOM 0 HA LEU A 26 4.325 10.140 7.956 1.00 0.00 H new ATOM 0 HB2 LEU A 26 3.361 10.804 5.865 1.00 0.00 H new ATOM 0 HB3 LEU A 26 4.817 11.750 6.102 1.00 0.00 H new ATOM 0 HG LEU A 26 5.943 9.871 4.634 1.00 0.00 H new ATOM 0 HD11 LEU A 26 4.411 8.971 2.932 1.00 0.00 H new ATOM 0 HD12 LEU A 26 4.000 8.391 4.564 1.00 0.00 H new ATOM 0 HD13 LEU A 26 3.031 9.677 3.806 1.00 0.00 H new ATOM 0 HD21 LEU A 26 5.431 11.199 2.619 1.00 0.00 H new ATOM 0 HD22 LEU A 26 4.094 11.991 3.486 1.00 0.00 H new ATOM 0 HD23 LEU A 26 5.772 12.238 4.023 1.00 0.00 H new ATOM 452 N LEU A 27 5.292 7.716 5.945 1.00 0.00 N ATOM 453 CA LEU A 27 5.032 6.330 5.568 1.00 0.00 C ATOM 454 C LEU A 27 5.080 5.413 6.786 1.00 0.00 C ATOM 455 O LEU A 27 4.397 4.389 6.830 1.00 0.00 O ATOM 456 CB LEU A 27 6.050 5.865 4.525 1.00 0.00 C ATOM 457 CG LEU A 27 5.624 4.646 3.705 1.00 0.00 C ATOM 458 CD1 LEU A 27 4.923 5.081 2.427 1.00 0.00 C ATOM 459 CD2 LEU A 27 6.828 3.773 3.384 1.00 0.00 C ATOM 0 H LEU A 27 6.146 8.108 5.549 1.00 0.00 H new ATOM 0 HA LEU A 27 4.031 6.279 5.139 1.00 0.00 H new ATOM 0 HB2 LEU A 27 6.252 6.691 3.843 1.00 0.00 H new ATOM 0 HB3 LEU A 27 6.987 5.634 5.032 1.00 0.00 H new ATOM 0 HG LEU A 27 4.922 4.060 4.298 1.00 0.00 H new ATOM 0 HD11 LEU A 27 4.627 4.201 1.857 1.00 0.00 H new ATOM 0 HD12 LEU A 27 4.038 5.665 2.678 1.00 0.00 H new ATOM 0 HD13 LEU A 27 5.601 5.690 1.829 1.00 0.00 H new ATOM 0 HD21 LEU A 27 6.507 2.910 2.800 1.00 0.00 H new ATOM 0 HD22 LEU A 27 7.553 4.350 2.810 1.00 0.00 H new ATOM 0 HD23 LEU A 27 7.288 3.432 4.312 1.00 0.00 H new ATOM 471 N TYR A 28 5.892 5.785 7.770 1.00 0.00 N ATOM 472 CA TYR A 28 6.029 4.993 8.987 1.00 0.00 C ATOM 473 C TYR A 28 4.795 5.129 9.874 1.00 0.00 C ATOM 474 O TYR A 28 4.470 4.223 10.642 1.00 0.00 O ATOM 475 CB TYR A 28 7.277 5.423 9.761 1.00 0.00 C ATOM 476 CG TYR A 28 8.545 4.745 9.293 1.00 0.00 C ATOM 477 CD1 TYR A 28 8.688 3.365 9.376 1.00 0.00 C ATOM 478 CD2 TYR A 28 9.597 5.483 8.767 1.00 0.00 C ATOM 479 CE1 TYR A 28 9.846 2.741 8.950 1.00 0.00 C ATOM 480 CE2 TYR A 28 10.756 4.867 8.338 1.00 0.00 C ATOM 481 CZ TYR A 28 10.876 3.496 8.431 1.00 0.00 C ATOM 482 OH TYR A 28 12.029 2.880 8.005 1.00 0.00 O ATOM 0 H TYR A 28 6.465 6.629 7.749 1.00 0.00 H new ATOM 0 HA TYR A 28 6.129 3.947 8.697 1.00 0.00 H new ATOM 0 HB2 TYR A 28 7.397 6.502 9.669 1.00 0.00 H new ATOM 0 HB3 TYR A 28 7.130 5.208 10.819 1.00 0.00 H new ATOM 0 HD1 TYR A 28 7.882 2.771 9.780 1.00 0.00 H new ATOM 0 HD2 TYR A 28 9.507 6.557 8.692 1.00 0.00 H new ATOM 0 HE1 TYR A 28 9.943 1.668 9.023 1.00 0.00 H new ATOM 0 HE2 TYR A 28 11.565 5.456 7.931 1.00 0.00 H new ATOM 0 HH TYR A 28 12.654 3.554 7.666 1.00 0.00 H new ATOM 492 N LYS A 29 4.112 6.264 9.766 1.00 0.00 N ATOM 493 CA LYS A 29 2.915 6.514 10.562 1.00 0.00 C ATOM 494 C LYS A 29 1.667 6.003 9.850 1.00 0.00 C ATOM 495 O LYS A 29 0.697 5.597 10.490 1.00 0.00 O ATOM 496 CB LYS A 29 2.776 8.010 10.854 1.00 0.00 C ATOM 497 CG LYS A 29 3.386 8.430 12.183 1.00 0.00 C ATOM 498 CD LYS A 29 4.839 8.847 12.022 1.00 0.00 C ATOM 499 CE LYS A 29 5.189 10.014 12.930 1.00 0.00 C ATOM 500 NZ LYS A 29 6.101 9.606 14.034 1.00 0.00 N ATOM 0 H LYS A 29 4.366 7.025 9.136 1.00 0.00 H new ATOM 0 HA LYS A 29 3.017 5.974 11.504 1.00 0.00 H new ATOM 0 HB2 LYS A 29 3.251 8.574 10.051 1.00 0.00 H new ATOM 0 HB3 LYS A 29 1.719 8.276 10.849 1.00 0.00 H new ATOM 0 HG2 LYS A 29 2.813 9.257 12.602 1.00 0.00 H new ATOM 0 HG3 LYS A 29 3.320 7.605 12.892 1.00 0.00 H new ATOM 0 HD2 LYS A 29 5.488 8.001 12.249 1.00 0.00 H new ATOM 0 HD3 LYS A 29 5.026 9.123 10.984 1.00 0.00 H new ATOM 0 HE2 LYS A 29 5.660 10.802 12.343 1.00 0.00 H new ATOM 0 HE3 LYS A 29 4.275 10.433 13.351 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 6.315 10.431 14.630 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 5.642 8.872 14.610 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 6.984 9.230 13.634 1.00 0.00 H new ATOM 514 N VAL A 30 1.697 6.025 8.522 1.00 0.00 N ATOM 515 CA VAL A 30 0.566 5.565 7.724 1.00 0.00 C ATOM 516 C VAL A 30 0.472 4.040 7.718 1.00 0.00 C ATOM 517 O VAL A 30 -0.573 3.477 7.392 1.00 0.00 O ATOM 518 CB VAL A 30 0.662 6.067 6.269 1.00 0.00 C ATOM 519 CG1 VAL A 30 -0.592 5.699 5.491 1.00 0.00 C ATOM 520 CG2 VAL A 30 0.898 7.570 6.237 1.00 0.00 C ATOM 0 H VAL A 30 2.492 6.356 7.975 1.00 0.00 H new ATOM 0 HA VAL A 30 -0.331 5.978 8.186 1.00 0.00 H new ATOM 0 HB VAL A 30 1.512 5.579 5.792 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -0.505 6.062 4.467 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -0.710 4.615 5.483 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -1.461 6.155 5.965 1.00 0.00 H new ATOM 0 HG21 VAL A 30 0.963 7.906 5.202 1.00 0.00 H new ATOM 0 HG22 VAL A 30 0.071 8.079 6.733 1.00 0.00 H new ATOM 0 HG23 VAL A 30 1.829 7.803 6.753 1.00 0.00 H new ATOM 530 N VAL A 31 1.567 3.376 8.080 1.00 0.00 N ATOM 531 CA VAL A 31 1.602 1.916 8.114 1.00 0.00 C ATOM 532 C VAL A 31 0.407 1.347 8.873 1.00 0.00 C ATOM 533 O VAL A 31 -0.036 0.231 8.606 1.00 0.00 O ATOM 534 CB VAL A 31 2.900 1.401 8.766 1.00 0.00 C ATOM 535 CG1 VAL A 31 4.109 1.785 7.928 1.00 0.00 C ATOM 536 CG2 VAL A 31 3.033 1.935 10.184 1.00 0.00 C ATOM 0 H VAL A 31 2.441 3.825 8.354 1.00 0.00 H new ATOM 0 HA VAL A 31 1.562 1.579 7.078 1.00 0.00 H new ATOM 0 HB VAL A 31 2.853 0.313 8.815 1.00 0.00 H new ATOM 0 HG11 VAL A 31 5.016 1.412 8.405 1.00 0.00 H new ATOM 0 HG12 VAL A 31 4.016 1.348 6.934 1.00 0.00 H new ATOM 0 HG13 VAL A 31 4.163 2.870 7.844 1.00 0.00 H new ATOM 0 HG21 VAL A 31 3.955 1.561 10.629 1.00 0.00 H new ATOM 0 HG22 VAL A 31 3.057 3.025 10.162 1.00 0.00 H new ATOM 0 HG23 VAL A 31 2.182 1.603 10.779 1.00 0.00 H new ATOM 546 N GLY A 32 -0.111 2.123 9.821 1.00 0.00 N ATOM 547 CA GLY A 32 -1.251 1.678 10.602 1.00 0.00 C ATOM 548 C GLY A 32 -2.539 1.677 9.804 1.00 0.00 C ATOM 549 O GLY A 32 -3.455 0.906 10.090 1.00 0.00 O ATOM 0 H GLY A 32 0.238 3.051 10.062 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -1.060 0.673 10.977 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -1.367 2.326 11.471 1.00 0.00 H new ATOM 553 N ASN A 33 -2.611 2.545 8.799 1.00 0.00 N ATOM 554 CA ASN A 33 -3.797 2.642 7.957 1.00 0.00 C ATOM 555 C ASN A 33 -3.731 1.650 6.800 1.00 0.00 C ATOM 556 O ASN A 33 -4.760 1.191 6.305 1.00 0.00 O ATOM 557 CB ASN A 33 -3.949 4.065 7.415 1.00 0.00 C ATOM 558 CG ASN A 33 -4.788 4.943 8.323 1.00 0.00 C ATOM 559 OD1 ASN A 33 -6.004 5.038 8.160 1.00 0.00 O ATOM 560 ND2 ASN A 33 -4.141 5.588 9.285 1.00 0.00 N ATOM 0 H ASN A 33 -1.862 3.191 8.549 1.00 0.00 H new ATOM 0 HA ASN A 33 -4.665 2.398 8.570 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -2.962 4.512 7.293 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -4.407 4.027 6.426 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -4.653 6.193 9.927 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -3.132 5.479 9.382 1.00 0.00 H new ATOM 567 N LEU A 34 -2.515 1.322 6.375 1.00 0.00 N ATOM 568 CA LEU A 34 -2.316 0.383 5.276 1.00 0.00 C ATOM 569 C LEU A 34 -2.805 -1.012 5.654 1.00 0.00 C ATOM 570 O LEU A 34 -3.475 -1.681 4.868 1.00 0.00 O ATOM 571 CB LEU A 34 -0.838 0.328 4.883 1.00 0.00 C ATOM 572 CG LEU A 34 -0.179 1.688 4.646 1.00 0.00 C ATOM 573 CD1 LEU A 34 1.259 1.510 4.184 1.00 0.00 C ATOM 574 CD2 LEU A 34 -0.972 2.493 3.626 1.00 0.00 C ATOM 0 H LEU A 34 -1.653 1.692 6.775 1.00 0.00 H new ATOM 0 HA LEU A 34 -2.899 0.734 4.424 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -0.289 -0.193 5.667 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -0.741 -0.268 3.976 1.00 0.00 H new ATOM 0 HG LEU A 34 -0.172 2.237 5.588 1.00 0.00 H new ATOM 0 HD11 LEU A 34 1.712 2.488 4.020 1.00 0.00 H new ATOM 0 HD12 LEU A 34 1.822 0.972 4.947 1.00 0.00 H new ATOM 0 HD13 LEU A 34 1.275 0.942 3.254 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -0.489 3.458 3.469 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -1.010 1.948 2.683 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -1.986 2.650 3.995 1.00 0.00 H new ATOM 586 N ALA A 35 -2.460 -1.447 6.863 1.00 0.00 N ATOM 587 CA ALA A 35 -2.860 -2.762 7.345 1.00 0.00 C ATOM 588 C ALA A 35 -4.346 -2.800 7.683 1.00 0.00 C ATOM 589 O ALA A 35 -5.014 -3.813 7.475 1.00 0.00 O ATOM 590 CB ALA A 35 -2.031 -3.153 8.559 1.00 0.00 C ATOM 0 H ALA A 35 -1.904 -0.906 7.526 1.00 0.00 H new ATOM 0 HA ALA A 35 -2.680 -3.482 6.546 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -2.340 -4.138 8.909 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -0.976 -3.180 8.286 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -2.182 -2.422 9.353 1.00 0.00 H new ATOM 596 N THR A 36 -4.858 -1.693 8.210 1.00 0.00 N ATOM 597 CA THR A 36 -6.267 -1.603 8.580 1.00 0.00 C ATOM 598 C THR A 36 -7.141 -1.400 7.347 1.00 0.00 C ATOM 599 O THR A 36 -8.178 -2.046 7.197 1.00 0.00 O ATOM 600 CB THR A 36 -6.484 -0.456 9.568 1.00 0.00 C ATOM 601 OG1 THR A 36 -6.127 0.784 8.985 1.00 0.00 O ATOM 602 CG2 THR A 36 -5.686 -0.609 10.846 1.00 0.00 C ATOM 0 H THR A 36 -4.319 -0.846 8.391 1.00 0.00 H new ATOM 0 HA THR A 36 -6.553 -2.541 9.055 1.00 0.00 H new ATOM 0 HB THR A 36 -7.545 -0.484 9.815 1.00 0.00 H new ATOM 0 HG1 THR A 36 -6.198 1.494 9.657 1.00 0.00 H new ATOM 0 HG21 THR A 36 -5.885 0.238 11.503 1.00 0.00 H new ATOM 0 HG22 THR A 36 -5.975 -1.533 11.347 1.00 0.00 H new ATOM 0 HG23 THR A 36 -4.623 -0.642 10.609 1.00 0.00 H new ATOM 610 N GLU A 37 -6.717 -0.498 6.469 1.00 0.00 N ATOM 611 CA GLU A 37 -7.464 -0.211 5.250 1.00 0.00 C ATOM 612 C GLU A 37 -8.860 0.310 5.580 1.00 0.00 C ATOM 613 O GLU A 37 -9.866 -0.248 5.139 1.00 0.00 O ATOM 614 CB GLU A 37 -7.564 -1.466 4.380 1.00 0.00 C ATOM 615 CG GLU A 37 -6.258 -2.236 4.271 1.00 0.00 C ATOM 616 CD GLU A 37 -6.423 -3.569 3.570 1.00 0.00 C ATOM 617 OE1 GLU A 37 -7.256 -3.654 2.643 1.00 0.00 O ATOM 618 OE2 GLU A 37 -5.720 -4.530 3.947 1.00 0.00 O ATOM 0 H GLU A 37 -5.861 0.046 6.578 1.00 0.00 H new ATOM 0 HA GLU A 37 -6.929 0.561 4.697 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -8.330 -2.123 4.791 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -7.892 -1.180 3.381 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -5.529 -1.633 3.729 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -5.855 -2.403 5.270 1.00 0.00 H new ATOM 625 N GLN A 38 -8.915 1.382 6.364 1.00 0.00 N ATOM 626 CA GLN A 38 -10.188 1.978 6.759 1.00 0.00 C ATOM 627 C GLN A 38 -10.609 3.075 5.781 1.00 0.00 C ATOM 628 O GLN A 38 -11.729 3.063 5.272 1.00 0.00 O ATOM 629 CB GLN A 38 -10.106 2.551 8.181 1.00 0.00 C ATOM 630 CG GLN A 38 -8.955 1.998 9.008 1.00 0.00 C ATOM 631 CD GLN A 38 -9.035 2.410 10.465 1.00 0.00 C ATOM 632 OE1 GLN A 38 -8.639 3.517 10.832 1.00 0.00 O ATOM 633 NE2 GLN A 38 -9.548 1.520 11.305 1.00 0.00 N ATOM 0 H GLN A 38 -8.093 1.856 6.739 1.00 0.00 H new ATOM 0 HA GLN A 38 -10.940 1.189 6.741 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -10.007 3.635 8.119 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -11.043 2.345 8.699 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -8.954 0.910 8.941 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -8.011 2.344 8.587 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -9.864 0.614 10.958 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -9.626 1.742 12.298 1.00 0.00 H new ATOM 642 N PRO A 39 -9.717 4.045 5.507 1.00 0.00 N ATOM 643 CA PRO A 39 -10.011 5.141 4.594 1.00 0.00 C ATOM 644 C PRO A 39 -9.781 4.768 3.130 1.00 0.00 C ATOM 645 O PRO A 39 -10.732 4.493 2.397 1.00 0.00 O ATOM 646 CB PRO A 39 -9.047 6.241 5.041 1.00 0.00 C ATOM 647 CG PRO A 39 -7.904 5.541 5.711 1.00 0.00 C ATOM 648 CD PRO A 39 -8.360 4.145 6.067 1.00 0.00 C ATOM 0 HA PRO A 39 -11.059 5.437 4.635 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -8.701 6.826 4.189 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -9.536 6.934 5.726 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -7.039 5.503 5.049 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -7.597 6.082 6.606 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -7.698 3.391 5.641 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -8.364 3.992 7.146 1.00 0.00 H new ATOM 656 N LEU A 40 -8.521 4.764 2.705 1.00 0.00 N ATOM 657 CA LEU A 40 -8.180 4.426 1.326 1.00 0.00 C ATOM 658 C LEU A 40 -8.890 5.353 0.344 1.00 0.00 C ATOM 659 O LEU A 40 -9.117 4.991 -0.812 1.00 0.00 O ATOM 660 CB LEU A 40 -8.548 2.971 1.028 1.00 0.00 C ATOM 661 CG LEU A 40 -8.235 1.977 2.148 1.00 0.00 C ATOM 662 CD1 LEU A 40 -9.282 0.875 2.188 1.00 0.00 C ATOM 663 CD2 LEU A 40 -6.846 1.387 1.962 1.00 0.00 C ATOM 0 H LEU A 40 -7.720 4.991 3.294 1.00 0.00 H new ATOM 0 HA LEU A 40 -7.104 4.554 1.205 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -9.614 2.921 0.807 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -8.021 2.657 0.127 1.00 0.00 H new ATOM 0 HG LEU A 40 -8.258 2.509 3.099 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -9.044 0.176 2.990 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -10.264 1.313 2.367 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -9.289 0.345 1.236 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -6.639 0.682 2.767 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -6.796 0.869 1.004 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -6.106 2.187 1.981 1.00 0.00 H new ATOM 675 N ALA A 41 -9.243 6.549 0.810 1.00 0.00 N ATOM 676 CA ALA A 41 -9.930 7.525 -0.028 1.00 0.00 C ATOM 677 C ALA A 41 -11.298 7.006 -0.468 1.00 0.00 C ATOM 678 O ALA A 41 -11.442 5.835 -0.818 1.00 0.00 O ATOM 679 CB ALA A 41 -9.080 7.872 -1.241 1.00 0.00 C ATOM 0 H ALA A 41 -9.064 6.864 1.763 1.00 0.00 H new ATOM 0 HA ALA A 41 -10.085 8.428 0.563 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -9.606 8.601 -1.857 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -8.130 8.293 -0.911 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -8.894 6.971 -1.825 1.00 0.00 H new ATOM 685 N PRO A 42 -12.327 7.872 -0.456 1.00 0.00 N ATOM 686 CA PRO A 42 -13.684 7.490 -0.853 1.00 0.00 C ATOM 687 C PRO A 42 -13.837 7.363 -2.367 1.00 0.00 C ATOM 688 O PRO A 42 -14.757 6.705 -2.853 1.00 0.00 O ATOM 689 CB PRO A 42 -14.538 8.642 -0.326 1.00 0.00 C ATOM 690 CG PRO A 42 -13.629 9.821 -0.344 1.00 0.00 C ATOM 691 CD PRO A 42 -12.250 9.290 -0.050 1.00 0.00 C ATOM 0 HA PRO A 42 -13.964 6.513 -0.459 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -15.413 8.806 -0.954 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -14.902 8.437 0.681 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -13.656 10.319 -1.313 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -13.930 10.557 0.401 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -11.486 9.827 -0.612 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -11.999 9.391 1.006 1.00 0.00 H new ATOM 699 N LYS A 43 -12.934 8.000 -3.107 1.00 0.00 N ATOM 700 CA LYS A 43 -12.976 7.959 -4.564 1.00 0.00 C ATOM 701 C LYS A 43 -12.019 6.904 -5.112 1.00 0.00 C ATOM 702 O LYS A 43 -11.466 7.061 -6.201 1.00 0.00 O ATOM 703 CB LYS A 43 -12.625 9.331 -5.143 1.00 0.00 C ATOM 704 CG LYS A 43 -11.248 9.829 -4.737 1.00 0.00 C ATOM 705 CD LYS A 43 -11.335 10.915 -3.676 1.00 0.00 C ATOM 706 CE LYS A 43 -10.209 11.926 -3.819 1.00 0.00 C ATOM 707 NZ LYS A 43 -10.013 12.724 -2.576 1.00 0.00 N ATOM 0 H LYS A 43 -12.166 8.550 -2.722 1.00 0.00 H new ATOM 0 HA LYS A 43 -13.989 7.692 -4.864 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -12.678 9.281 -6.231 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -13.374 10.055 -4.820 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -10.657 8.996 -4.358 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -10.728 10.216 -5.613 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -12.295 11.425 -3.754 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -11.294 10.461 -2.686 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -9.284 11.405 -4.065 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -10.428 12.597 -4.650 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -9.236 13.401 -2.717 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -10.887 13.242 -2.354 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -9.779 12.087 -1.788 1.00 0.00 H new ATOM 721 N TYR A 44 -11.828 5.831 -4.352 1.00 0.00 N ATOM 722 CA TYR A 44 -10.939 4.751 -4.767 1.00 0.00 C ATOM 723 C TYR A 44 -11.285 3.450 -4.050 1.00 0.00 C ATOM 724 O TYR A 44 -11.804 2.515 -4.658 1.00 0.00 O ATOM 725 CB TYR A 44 -9.483 5.128 -4.488 1.00 0.00 C ATOM 726 CG TYR A 44 -8.982 6.275 -5.337 1.00 0.00 C ATOM 727 CD1 TYR A 44 -8.773 6.117 -6.701 1.00 0.00 C ATOM 728 CD2 TYR A 44 -8.722 7.517 -4.773 1.00 0.00 C ATOM 729 CE1 TYR A 44 -8.318 7.162 -7.479 1.00 0.00 C ATOM 730 CE2 TYR A 44 -8.266 8.569 -5.545 1.00 0.00 C ATOM 731 CZ TYR A 44 -8.066 8.387 -6.897 1.00 0.00 C ATOM 732 OH TYR A 44 -7.613 9.431 -7.670 1.00 0.00 O ATOM 0 H TYR A 44 -12.276 5.686 -3.447 1.00 0.00 H new ATOM 0 HA TYR A 44 -11.071 4.598 -5.838 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -9.380 5.394 -3.436 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -8.851 4.257 -4.660 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -8.970 5.160 -7.161 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -8.879 7.663 -3.714 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -8.160 7.021 -8.538 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -8.067 9.529 -5.091 1.00 0.00 H new ATOM 0 HH TYR A 44 -7.486 10.223 -7.108 1.00 0.00 H new ATOM 742 N LYS A 45 -10.995 3.397 -2.754 1.00 0.00 N ATOM 743 CA LYS A 45 -11.274 2.209 -1.954 1.00 0.00 C ATOM 744 C LYS A 45 -10.459 1.018 -2.445 1.00 0.00 C ATOM 745 O LYS A 45 -10.294 0.820 -3.649 1.00 0.00 O ATOM 746 CB LYS A 45 -12.766 1.876 -1.999 1.00 0.00 C ATOM 747 CG LYS A 45 -13.659 3.016 -1.536 1.00 0.00 C ATOM 748 CD LYS A 45 -13.489 3.289 -0.051 1.00 0.00 C ATOM 749 CE LYS A 45 -14.594 2.638 0.765 1.00 0.00 C ATOM 750 NZ LYS A 45 -15.006 3.488 1.916 1.00 0.00 N ATOM 0 H LYS A 45 -10.567 4.163 -2.235 1.00 0.00 H new ATOM 0 HA LYS A 45 -10.988 2.421 -0.924 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -13.038 1.604 -3.019 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -12.954 1.002 -1.375 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -13.423 3.917 -2.102 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -14.700 2.772 -1.745 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -12.521 2.913 0.281 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -13.491 4.365 0.125 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -15.456 2.450 0.125 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -14.253 1.670 1.132 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -15.761 3.010 2.448 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -14.190 3.646 2.540 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -15.356 4.402 1.565 1.00 0.00 H new ATOM 764 N ASP A 46 -9.950 0.227 -1.508 1.00 0.00 N ATOM 765 CA ASP A 46 -9.151 -0.945 -1.845 1.00 0.00 C ATOM 766 C ASP A 46 -10.030 -2.065 -2.392 1.00 0.00 C ATOM 767 O ASP A 46 -11.246 -2.063 -2.202 1.00 0.00 O ATOM 768 CB ASP A 46 -8.384 -1.435 -0.615 1.00 0.00 C ATOM 769 CG ASP A 46 -7.402 -2.541 -0.950 1.00 0.00 C ATOM 770 OD1 ASP A 46 -6.919 -2.579 -2.102 1.00 0.00 O ATOM 771 OD2 ASP A 46 -7.115 -3.371 -0.061 1.00 0.00 O ATOM 0 H ASP A 46 -10.077 0.376 -0.507 1.00 0.00 H new ATOM 0 HA ASP A 46 -8.438 -0.658 -2.618 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -7.847 -0.599 -0.168 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -9.092 -1.795 0.132 1.00 0.00 H new ATOM 776 N HIS A 47 -9.404 -3.022 -3.070 1.00 0.00 N ATOM 777 CA HIS A 47 -10.127 -4.151 -3.645 1.00 0.00 C ATOM 778 C HIS A 47 -9.165 -5.269 -4.039 1.00 0.00 C ATOM 779 O HIS A 47 -7.991 -5.020 -4.313 1.00 0.00 O ATOM 780 CB HIS A 47 -10.932 -3.698 -4.866 1.00 0.00 C ATOM 781 CG HIS A 47 -12.381 -3.457 -4.571 1.00 0.00 C ATOM 782 ND1 HIS A 47 -12.880 -2.224 -4.209 1.00 0.00 N ATOM 783 CD2 HIS A 47 -13.441 -4.300 -4.587 1.00 0.00 C ATOM 784 CE1 HIS A 47 -14.184 -2.319 -4.014 1.00 0.00 C ATOM 785 NE2 HIS A 47 -14.549 -3.567 -4.237 1.00 0.00 N ATOM 0 H HIS A 47 -8.398 -3.038 -3.235 1.00 0.00 H new ATOM 0 HA HIS A 47 -10.812 -4.536 -2.890 1.00 0.00 H new ATOM 0 HB2 HIS A 47 -10.493 -2.782 -5.261 1.00 0.00 H new ATOM 0 HB3 HIS A 47 -10.849 -4.454 -5.647 1.00 0.00 H new ATOM 0 HD1 HIS A 47 -12.329 -1.372 -4.107 1.00 0.00 H new ATOM 0 HD2 HIS A 47 -13.419 -5.352 -4.830 1.00 0.00 H new ATOM 0 HE1 HIS A 47 -14.839 -1.512 -3.722 1.00 0.00 H new ATOM 794 N PRO A 48 -9.651 -6.521 -4.075 1.00 0.00 N ATOM 795 CA PRO A 48 -8.827 -7.677 -4.439 1.00 0.00 C ATOM 796 C PRO A 48 -8.354 -7.618 -5.887 1.00 0.00 C ATOM 797 O PRO A 48 -8.932 -6.906 -6.710 1.00 0.00 O ATOM 798 CB PRO A 48 -9.765 -8.872 -4.231 1.00 0.00 C ATOM 799 CG PRO A 48 -11.138 -8.300 -4.318 1.00 0.00 C ATOM 800 CD PRO A 48 -11.040 -6.907 -3.766 1.00 0.00 C ATOM 0 HA PRO A 48 -7.916 -7.728 -3.842 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -9.606 -9.636 -4.992 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -9.594 -9.345 -3.264 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -11.491 -8.287 -5.349 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -11.847 -8.898 -3.745 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -11.759 -6.236 -4.236 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -11.236 -6.884 -2.694 1.00 0.00 H new ATOM 904 N ASP A 55 -3.757 -12.471 -2.447 1.00 0.00 N ATOM 905 CA ASP A 55 -2.511 -12.098 -1.784 1.00 0.00 C ATOM 906 C ASP A 55 -2.118 -10.665 -2.133 1.00 0.00 C ATOM 907 O ASP A 55 -1.786 -9.871 -1.254 1.00 0.00 O ATOM 908 CB ASP A 55 -1.392 -13.064 -2.181 1.00 0.00 C ATOM 909 CG ASP A 55 -0.962 -13.954 -1.032 1.00 0.00 C ATOM 910 OD1 ASP A 55 -1.609 -15.001 -0.818 1.00 0.00 O ATOM 911 OD2 ASP A 55 0.022 -13.605 -0.345 1.00 0.00 O ATOM 0 HA ASP A 55 -2.665 -12.158 -0.707 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -1.729 -13.685 -3.011 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -0.533 -12.495 -2.537 1.00 0.00 H new ATOM 916 N PHE A 56 -2.159 -10.343 -3.422 1.00 0.00 N ATOM 917 CA PHE A 56 -1.807 -9.006 -3.887 1.00 0.00 C ATOM 918 C PHE A 56 -3.024 -8.086 -3.860 1.00 0.00 C ATOM 919 O PHE A 56 -4.155 -8.530 -4.061 1.00 0.00 O ATOM 920 CB PHE A 56 -1.231 -9.071 -5.303 1.00 0.00 C ATOM 921 CG PHE A 56 0.269 -9.139 -5.338 1.00 0.00 C ATOM 922 CD1 PHE A 56 0.935 -10.270 -4.896 1.00 0.00 C ATOM 923 CD2 PHE A 56 1.013 -8.070 -5.813 1.00 0.00 C ATOM 924 CE1 PHE A 56 2.315 -10.336 -4.927 1.00 0.00 C ATOM 925 CE2 PHE A 56 2.393 -8.131 -5.845 1.00 0.00 C ATOM 926 CZ PHE A 56 3.044 -9.264 -5.402 1.00 0.00 C ATOM 0 H PHE A 56 -2.432 -10.989 -4.163 1.00 0.00 H new ATOM 0 HA PHE A 56 -1.051 -8.600 -3.215 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -1.638 -9.944 -5.812 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -1.560 -8.194 -5.861 1.00 0.00 H new ATOM 0 HD1 PHE A 56 0.369 -11.111 -4.523 1.00 0.00 H new ATOM 0 HD2 PHE A 56 0.509 -7.181 -6.161 1.00 0.00 H new ATOM 0 HE1 PHE A 56 2.822 -11.224 -4.580 1.00 0.00 H new ATOM 0 HE2 PHE A 56 2.962 -7.292 -6.217 1.00 0.00 H new ATOM 0 HZ PHE A 56 4.123 -9.312 -5.427 1.00 0.00 H new ATOM 936 N ARG A 57 -2.783 -6.804 -3.607 1.00 0.00 N ATOM 937 CA ARG A 57 -3.862 -5.822 -3.552 1.00 0.00 C ATOM 938 C ARG A 57 -3.320 -4.406 -3.721 1.00 0.00 C ATOM 939 O ARG A 57 -2.206 -4.103 -3.293 1.00 0.00 O ATOM 940 CB ARG A 57 -4.616 -5.939 -2.226 1.00 0.00 C ATOM 941 CG ARG A 57 -6.125 -5.820 -2.370 1.00 0.00 C ATOM 942 CD ARG A 57 -6.825 -5.955 -1.027 1.00 0.00 C ATOM 943 NE ARG A 57 -7.233 -7.330 -0.758 1.00 0.00 N ATOM 944 CZ ARG A 57 -7.571 -7.781 0.449 1.00 0.00 C ATOM 945 NH1 ARG A 57 -7.551 -6.968 1.498 1.00 0.00 N ATOM 946 NH2 ARG A 57 -7.931 -9.048 0.606 1.00 0.00 N ATOM 0 H ARG A 57 -1.853 -6.421 -3.437 1.00 0.00 H new ATOM 0 HA ARG A 57 -4.549 -6.027 -4.373 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -4.378 -6.898 -1.766 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -4.262 -5.163 -1.547 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -6.374 -4.857 -2.816 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -6.489 -6.590 -3.050 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -6.159 -5.613 -0.235 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -7.701 -5.307 -1.008 1.00 0.00 H new ATOM 0 HE ARG A 57 -7.261 -7.984 -1.540 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -7.276 -5.993 1.382 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -7.811 -7.319 2.420 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -7.949 -9.676 -0.197 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -8.190 -9.394 1.530 1.00 0.00 H new ATOM 960 N GLU A 58 -4.114 -3.544 -4.346 1.00 0.00 N ATOM 961 CA GLU A 58 -3.713 -2.159 -4.571 1.00 0.00 C ATOM 962 C GLU A 58 -4.778 -1.194 -4.062 1.00 0.00 C ATOM 963 O GLU A 58 -5.910 -1.189 -4.549 1.00 0.00 O ATOM 964 CB GLU A 58 -3.457 -1.916 -6.060 1.00 0.00 C ATOM 965 CG GLU A 58 -2.939 -0.520 -6.368 1.00 0.00 C ATOM 966 CD GLU A 58 -2.424 -0.390 -7.788 1.00 0.00 C ATOM 967 OE1 GLU A 58 -1.950 -1.405 -8.343 1.00 0.00 O ATOM 968 OE2 GLU A 58 -2.495 0.724 -8.345 1.00 0.00 O ATOM 0 H GLU A 58 -5.039 -3.779 -4.706 1.00 0.00 H new ATOM 0 HA GLU A 58 -2.792 -1.979 -4.017 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -2.736 -2.650 -6.421 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -4.383 -2.081 -6.611 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -3.738 0.204 -6.207 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -2.139 -0.271 -5.671 1.00 0.00 H new ATOM 975 N CYS A 59 -4.409 -0.377 -3.082 1.00 0.00 N ATOM 976 CA CYS A 59 -5.334 0.594 -2.507 1.00 0.00 C ATOM 977 C CYS A 59 -4.869 2.020 -2.789 1.00 0.00 C ATOM 978 O CYS A 59 -3.814 2.234 -3.387 1.00 0.00 O ATOM 979 CB CYS A 59 -5.461 0.377 -0.998 1.00 0.00 C ATOM 980 SG CYS A 59 -3.924 0.636 -0.083 1.00 0.00 S ATOM 0 H CYS A 59 -3.476 -0.367 -2.669 1.00 0.00 H new ATOM 0 HA CYS A 59 -6.309 0.449 -2.972 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -6.222 1.053 -0.607 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -5.813 -0.639 -0.816 1.00 0.00 H new ATOM 0 HG CYS A 59 -4.133 0.431 1.184 1.00 0.00 H new ATOM 986 N HIS A 60 -5.664 2.993 -2.356 1.00 0.00 N ATOM 987 CA HIS A 60 -5.334 4.398 -2.563 1.00 0.00 C ATOM 988 C HIS A 60 -5.303 5.151 -1.236 1.00 0.00 C ATOM 989 O HIS A 60 -6.320 5.687 -0.791 1.00 0.00 O ATOM 990 CB HIS A 60 -6.347 5.049 -3.507 1.00 0.00 C ATOM 991 CG HIS A 60 -5.967 4.946 -4.952 1.00 0.00 C ATOM 992 ND1 HIS A 60 -5.514 6.020 -5.691 1.00 0.00 N ATOM 993 CD2 HIS A 60 -5.972 3.886 -5.797 1.00 0.00 C ATOM 994 CE1 HIS A 60 -5.259 5.625 -6.925 1.00 0.00 C ATOM 995 NE2 HIS A 60 -5.527 4.336 -7.015 1.00 0.00 N ATOM 0 H HIS A 60 -6.541 2.834 -1.860 1.00 0.00 H new ATOM 0 HA HIS A 60 -4.343 4.449 -3.014 1.00 0.00 H new ATOM 0 HB2 HIS A 60 -7.321 4.581 -3.361 1.00 0.00 H new ATOM 0 HB3 HIS A 60 -6.456 6.101 -3.242 1.00 0.00 H new ATOM 0 HD1 HIS A 60 -5.395 6.970 -5.339 1.00 0.00 H new ATOM 0 HD2 HIS A 60 -6.270 2.876 -5.557 1.00 0.00 H new ATOM 0 HE1 HIS A 60 -4.893 6.251 -7.725 1.00 0.00 H new ATOM 1004 N LEU A 61 -4.133 5.186 -0.610 1.00 0.00 N ATOM 1005 CA LEU A 61 -3.968 5.873 0.665 1.00 0.00 C ATOM 1006 C LEU A 61 -4.166 7.377 0.502 1.00 0.00 C ATOM 1007 O LEU A 61 -4.649 8.052 1.412 1.00 0.00 O ATOM 1008 CB LEU A 61 -2.581 5.590 1.244 1.00 0.00 C ATOM 1009 CG LEU A 61 -1.410 5.988 0.343 1.00 0.00 C ATOM 1010 CD1 LEU A 61 -0.952 7.403 0.655 1.00 0.00 C ATOM 1011 CD2 LEU A 61 -0.259 5.006 0.501 1.00 0.00 C ATOM 0 H LEU A 61 -3.284 4.746 -0.965 1.00 0.00 H new ATOM 0 HA LEU A 61 -4.725 5.497 1.353 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -2.485 6.118 2.193 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -2.506 4.525 1.463 1.00 0.00 H new ATOM 0 HG LEU A 61 -1.748 5.959 -0.693 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -0.119 7.668 0.004 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -1.776 8.097 0.490 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -0.632 7.461 1.695 1.00 0.00 H new ATOM 0 HD21 LEU A 61 0.565 5.304 -0.147 1.00 0.00 H new ATOM 0 HD22 LEU A 61 0.077 5.003 1.538 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -0.594 4.006 0.225 1.00 0.00 H new ATOM 1023 N LYS A 62 -3.789 7.894 -0.662 1.00 0.00 N ATOM 1024 CA LYS A 62 -3.925 9.318 -0.945 1.00 0.00 C ATOM 1025 C LYS A 62 -4.409 9.543 -2.376 1.00 0.00 C ATOM 1026 O LYS A 62 -4.369 8.632 -3.203 1.00 0.00 O ATOM 1027 CB LYS A 62 -2.589 10.032 -0.726 1.00 0.00 C ATOM 1028 CG LYS A 62 -2.468 10.688 0.642 1.00 0.00 C ATOM 1029 CD LYS A 62 -1.072 10.517 1.221 1.00 0.00 C ATOM 1030 CE LYS A 62 -0.609 11.775 1.936 1.00 0.00 C ATOM 1031 NZ LYS A 62 -1.110 11.834 3.338 1.00 0.00 N ATOM 0 H LYS A 62 -3.387 7.349 -1.425 1.00 0.00 H new ATOM 0 HA LYS A 62 -4.666 9.732 -0.261 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -1.778 9.314 -0.849 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -2.462 10.792 -1.497 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -2.701 11.750 0.559 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -3.201 10.253 1.322 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -1.066 9.678 1.917 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -0.372 10.273 0.421 1.00 0.00 H new ATOM 0 HE2 LYS A 62 0.480 11.811 1.938 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -0.956 12.652 1.389 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -0.772 12.707 3.791 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -2.150 11.825 3.336 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -0.758 11.011 3.867 1.00 0.00 H new ATOM 1045 N PRO A 63 -4.871 10.766 -2.689 1.00 0.00 N ATOM 1046 CA PRO A 63 -5.361 11.105 -4.029 1.00 0.00 C ATOM 1047 C PRO A 63 -4.275 10.970 -5.089 1.00 0.00 C ATOM 1048 O PRO A 63 -3.168 11.481 -4.926 1.00 0.00 O ATOM 1049 CB PRO A 63 -5.805 12.566 -3.898 1.00 0.00 C ATOM 1050 CG PRO A 63 -5.093 13.083 -2.695 1.00 0.00 C ATOM 1051 CD PRO A 63 -4.950 11.910 -1.767 1.00 0.00 C ATOM 0 HA PRO A 63 -6.160 10.436 -4.349 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -5.543 13.139 -4.788 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -6.886 12.640 -3.778 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -4.118 13.491 -2.963 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -5.656 13.888 -2.223 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -4.057 11.992 -1.148 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -5.800 11.825 -1.090 1.00 0.00 H new ATOM 1059 N ASP A 64 -4.598 10.275 -6.176 1.00 0.00 N ATOM 1060 CA ASP A 64 -3.648 10.071 -7.262 1.00 0.00 C ATOM 1061 C ASP A 64 -2.418 9.311 -6.772 1.00 0.00 C ATOM 1062 O ASP A 64 -1.314 9.509 -7.278 1.00 0.00 O ATOM 1063 CB ASP A 64 -3.228 11.413 -7.861 1.00 0.00 C ATOM 1064 CG ASP A 64 -4.259 11.963 -8.827 1.00 0.00 C ATOM 1065 OD1 ASP A 64 -4.395 11.400 -9.935 1.00 0.00 O ATOM 1066 OD2 ASP A 64 -4.933 12.955 -8.477 1.00 0.00 O ATOM 0 H ASP A 64 -5.510 9.844 -6.327 1.00 0.00 H new ATOM 0 HA ASP A 64 -4.138 9.476 -8.033 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -3.067 12.132 -7.058 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -2.276 11.295 -8.378 1.00 0.00 H new ATOM 1071 N LEU A 65 -2.620 8.446 -5.783 1.00 0.00 N ATOM 1072 CA LEU A 65 -1.527 7.660 -5.222 1.00 0.00 C ATOM 1073 C LEU A 65 -1.981 6.233 -4.927 1.00 0.00 C ATOM 1074 O LEU A 65 -2.878 6.012 -4.114 1.00 0.00 O ATOM 1075 CB LEU A 65 -1.000 8.319 -3.945 1.00 0.00 C ATOM 1076 CG LEU A 65 0.368 8.988 -4.078 1.00 0.00 C ATOM 1077 CD1 LEU A 65 0.218 10.419 -4.571 1.00 0.00 C ATOM 1078 CD2 LEU A 65 1.107 8.954 -2.749 1.00 0.00 C ATOM 0 H LEU A 65 -3.529 8.272 -5.354 1.00 0.00 H new ATOM 0 HA LEU A 65 -0.723 7.621 -5.957 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -1.722 9.066 -3.616 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -0.943 7.563 -3.161 1.00 0.00 H new ATOM 0 HG LEU A 65 0.953 8.434 -4.812 1.00 0.00 H new ATOM 0 HD11 LEU A 65 1.202 10.878 -4.659 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -0.271 10.419 -5.545 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -0.385 10.987 -3.862 1.00 0.00 H new ATOM 0 HD21 LEU A 65 2.079 9.434 -2.861 1.00 0.00 H new ATOM 0 HD22 LEU A 65 0.525 9.484 -1.995 1.00 0.00 H new ATOM 0 HD23 LEU A 65 1.247 7.919 -2.437 1.00 0.00 H new ATOM 1090 N LEU A 66 -1.353 5.268 -5.592 1.00 0.00 N ATOM 1091 CA LEU A 66 -1.692 3.862 -5.399 1.00 0.00 C ATOM 1092 C LEU A 66 -0.725 3.206 -4.418 1.00 0.00 C ATOM 1093 O LEU A 66 0.218 3.841 -3.943 1.00 0.00 O ATOM 1094 CB LEU A 66 -1.672 3.101 -6.732 1.00 0.00 C ATOM 1095 CG LEU A 66 -1.706 3.975 -7.993 1.00 0.00 C ATOM 1096 CD1 LEU A 66 -0.306 4.143 -8.561 1.00 0.00 C ATOM 1097 CD2 LEU A 66 -2.635 3.371 -9.036 1.00 0.00 C ATOM 0 H LEU A 66 -0.608 5.434 -6.268 1.00 0.00 H new ATOM 0 HA LEU A 66 -2.701 3.819 -4.989 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -0.775 2.483 -6.764 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -2.526 2.425 -6.757 1.00 0.00 H new ATOM 0 HG LEU A 66 -2.088 4.959 -7.720 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -0.348 4.765 -9.455 1.00 0.00 H new ATOM 0 HD12 LEU A 66 0.334 4.619 -7.818 1.00 0.00 H new ATOM 0 HD13 LEU A 66 0.102 3.166 -8.818 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -2.647 4.004 -9.923 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -2.282 2.376 -9.305 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -3.643 3.300 -8.628 1.00 0.00 H new ATOM 1109 N LEU A 67 -0.961 1.932 -4.122 1.00 0.00 N ATOM 1110 CA LEU A 67 -0.105 1.196 -3.202 1.00 0.00 C ATOM 1111 C LEU A 67 -0.354 -0.303 -3.301 1.00 0.00 C ATOM 1112 O LEU A 67 -1.329 -0.818 -2.754 1.00 0.00 O ATOM 1113 CB LEU A 67 -0.334 1.661 -1.762 1.00 0.00 C ATOM 1114 CG LEU A 67 0.805 1.345 -0.786 1.00 0.00 C ATOM 1115 CD1 LEU A 67 0.523 1.952 0.582 1.00 0.00 C ATOM 1116 CD2 LEU A 67 1.015 -0.158 -0.675 1.00 0.00 C ATOM 0 H LEU A 67 -1.736 1.390 -4.505 1.00 0.00 H new ATOM 0 HA LEU A 67 0.929 1.397 -3.482 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -0.499 2.738 -1.767 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -1.249 1.200 -1.389 1.00 0.00 H new ATOM 0 HG LEU A 67 1.722 1.789 -1.174 1.00 0.00 H new ATOM 0 HD11 LEU A 67 1.343 1.717 1.261 1.00 0.00 H new ATOM 0 HD12 LEU A 67 0.429 3.034 0.488 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -0.405 1.541 0.978 1.00 0.00 H new ATOM 0 HD21 LEU A 67 1.828 -0.361 0.022 1.00 0.00 H new ATOM 0 HD22 LEU A 67 0.100 -0.627 -0.313 1.00 0.00 H new ATOM 0 HD23 LEU A 67 1.268 -0.563 -1.655 1.00 0.00 H new ATOM 1128 N VAL A 68 0.544 -1.000 -3.985 1.00 0.00 N ATOM 1129 CA VAL A 68 0.432 -2.443 -4.136 1.00 0.00 C ATOM 1130 C VAL A 68 1.253 -3.149 -3.063 1.00 0.00 C ATOM 1131 O VAL A 68 2.451 -2.906 -2.930 1.00 0.00 O ATOM 1132 CB VAL A 68 0.908 -2.905 -5.527 1.00 0.00 C ATOM 1133 CG1 VAL A 68 0.655 -4.394 -5.712 1.00 0.00 C ATOM 1134 CG2 VAL A 68 0.222 -2.102 -6.621 1.00 0.00 C ATOM 0 H VAL A 68 1.357 -0.589 -4.443 1.00 0.00 H new ATOM 0 HA VAL A 68 -0.621 -2.703 -4.028 1.00 0.00 H new ATOM 0 HB VAL A 68 1.982 -2.730 -5.598 1.00 0.00 H new ATOM 0 HG11 VAL A 68 0.998 -4.701 -6.700 1.00 0.00 H new ATOM 0 HG12 VAL A 68 1.198 -4.953 -4.950 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -0.412 -4.596 -5.619 1.00 0.00 H new ATOM 0 HG21 VAL A 68 0.571 -2.443 -7.596 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -0.857 -2.242 -6.553 1.00 0.00 H new ATOM 0 HG23 VAL A 68 0.459 -1.045 -6.500 1.00 0.00 H new ATOM 1144 N TYR A 69 0.607 -4.017 -2.294 1.00 0.00 N ATOM 1145 CA TYR A 69 1.290 -4.744 -1.230 1.00 0.00 C ATOM 1146 C TYR A 69 0.798 -6.184 -1.141 1.00 0.00 C ATOM 1147 O TYR A 69 -0.302 -6.506 -1.591 1.00 0.00 O ATOM 1148 CB TYR A 69 1.093 -4.036 0.115 1.00 0.00 C ATOM 1149 CG TYR A 69 -0.349 -3.960 0.570 1.00 0.00 C ATOM 1150 CD1 TYR A 69 -1.050 -5.106 0.930 1.00 0.00 C ATOM 1151 CD2 TYR A 69 -1.010 -2.739 0.643 1.00 0.00 C ATOM 1152 CE1 TYR A 69 -2.365 -5.037 1.347 1.00 0.00 C ATOM 1153 CE2 TYR A 69 -2.325 -2.663 1.059 1.00 0.00 C ATOM 1154 CZ TYR A 69 -2.998 -3.814 1.409 1.00 0.00 C ATOM 1155 OH TYR A 69 -4.307 -3.742 1.824 1.00 0.00 O ATOM 0 H TYR A 69 -0.385 -4.234 -2.386 1.00 0.00 H new ATOM 0 HA TYR A 69 2.353 -4.762 -1.469 1.00 0.00 H new ATOM 0 HB2 TYR A 69 1.675 -4.556 0.876 1.00 0.00 H new ATOM 0 HB3 TYR A 69 1.493 -3.025 0.043 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -0.558 -6.066 0.883 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -0.486 -1.835 0.370 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -2.895 -5.937 1.623 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -2.824 -1.706 1.110 1.00 0.00 H new ATOM 0 HH TYR A 69 -4.479 -4.444 2.486 1.00 0.00 H new ATOM 1165 N GLN A 70 1.623 -7.046 -0.556 1.00 0.00 N ATOM 1166 CA GLN A 70 1.278 -8.453 -0.401 1.00 0.00 C ATOM 1167 C GLN A 70 1.663 -8.954 0.987 1.00 0.00 C ATOM 1168 O GLN A 70 2.844 -9.019 1.328 1.00 0.00 O ATOM 1169 CB GLN A 70 1.977 -9.293 -1.473 1.00 0.00 C ATOM 1170 CG GLN A 70 1.572 -10.757 -1.460 1.00 0.00 C ATOM 1171 CD GLN A 70 2.740 -11.687 -1.716 1.00 0.00 C ATOM 1172 OE1 GLN A 70 3.699 -11.326 -2.401 1.00 0.00 O ATOM 1173 NE2 GLN A 70 2.669 -12.893 -1.165 1.00 0.00 N ATOM 0 H GLN A 70 2.537 -6.793 -0.181 1.00 0.00 H new ATOM 0 HA GLN A 70 0.199 -8.554 -0.519 1.00 0.00 H new ATOM 0 HB2 GLN A 70 1.755 -8.872 -2.454 1.00 0.00 H new ATOM 0 HB3 GLN A 70 3.056 -9.222 -1.332 1.00 0.00 H new ATOM 0 HG2 GLN A 70 1.125 -10.998 -0.495 1.00 0.00 H new ATOM 0 HG3 GLN A 70 0.806 -10.925 -2.217 1.00 0.00 H new ATOM 0 HE21 GLN A 70 1.856 -13.151 -0.605 1.00 0.00 H new ATOM 0 HE22 GLN A 70 3.427 -13.562 -1.302 1.00 0.00 H new ATOM 1182 N ILE A 71 0.659 -9.306 1.784 1.00 0.00 N ATOM 1183 CA ILE A 71 0.893 -9.800 3.136 1.00 0.00 C ATOM 1184 C ILE A 71 1.174 -11.300 3.126 1.00 0.00 C ATOM 1185 O ILE A 71 0.451 -12.073 2.500 1.00 0.00 O ATOM 1186 CB ILE A 71 -0.314 -9.504 4.060 1.00 0.00 C ATOM 1187 CG1 ILE A 71 -0.379 -8.010 4.395 1.00 0.00 C ATOM 1188 CG2 ILE A 71 -0.235 -10.326 5.342 1.00 0.00 C ATOM 1189 CD1 ILE A 71 -0.344 -7.108 3.181 1.00 0.00 C ATOM 0 H ILE A 71 -0.324 -9.258 1.517 1.00 0.00 H new ATOM 0 HA ILE A 71 1.766 -9.277 3.525 1.00 0.00 H new ATOM 0 HB ILE A 71 -1.222 -9.786 3.527 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -1.293 -7.813 4.956 1.00 0.00 H new ATOM 0 HG13 ILE A 71 0.457 -7.757 5.048 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -1.094 -10.099 5.973 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -0.237 -11.387 5.094 1.00 0.00 H new ATOM 0 HG23 ILE A 71 0.683 -10.080 5.876 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -0.394 -6.067 3.500 1.00 0.00 H new ATOM 0 HD12 ILE A 71 0.582 -7.275 2.630 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -1.195 -7.331 2.537 1.00 0.00 H new ATOM 1201 N LYS A 72 2.230 -11.701 3.826 1.00 0.00 N ATOM 1202 CA LYS A 72 2.608 -13.107 3.901 1.00 0.00 C ATOM 1203 C LYS A 72 2.272 -13.686 5.272 1.00 0.00 C ATOM 1204 O LYS A 72 2.983 -13.450 6.249 1.00 0.00 O ATOM 1205 CB LYS A 72 4.101 -13.272 3.611 1.00 0.00 C ATOM 1206 CG LYS A 72 4.979 -12.285 4.361 1.00 0.00 C ATOM 1207 CD LYS A 72 5.438 -11.146 3.461 1.00 0.00 C ATOM 1208 CE LYS A 72 6.954 -11.044 3.419 1.00 0.00 C ATOM 1209 NZ LYS A 72 7.549 -11.995 2.438 1.00 0.00 N ATOM 0 H LYS A 72 2.839 -11.072 4.349 1.00 0.00 H new ATOM 0 HA LYS A 72 2.040 -13.653 3.148 1.00 0.00 H new ATOM 0 HB2 LYS A 72 4.403 -14.286 3.872 1.00 0.00 H new ATOM 0 HB3 LYS A 72 4.270 -13.155 2.541 1.00 0.00 H new ATOM 0 HG2 LYS A 72 4.428 -11.879 5.210 1.00 0.00 H new ATOM 0 HG3 LYS A 72 5.849 -12.804 4.764 1.00 0.00 H new ATOM 0 HD2 LYS A 72 5.055 -11.301 2.452 1.00 0.00 H new ATOM 0 HD3 LYS A 72 5.019 -10.206 3.820 1.00 0.00 H new ATOM 0 HE2 LYS A 72 7.242 -10.026 3.158 1.00 0.00 H new ATOM 0 HE3 LYS A 72 7.359 -11.245 4.411 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 8.584 -11.894 2.440 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 7.296 -12.969 2.701 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 7.183 -11.787 1.487 1.00 0.00 H new ATOM 1223 N LYS A 73 1.180 -14.440 5.336 1.00 0.00 N ATOM 1224 CA LYS A 73 0.738 -15.052 6.585 1.00 0.00 C ATOM 1225 C LYS A 73 1.804 -15.983 7.160 1.00 0.00 C ATOM 1226 O LYS A 73 1.819 -16.249 8.361 1.00 0.00 O ATOM 1227 CB LYS A 73 -0.562 -15.826 6.362 1.00 0.00 C ATOM 1228 CG LYS A 73 -1.796 -14.942 6.305 1.00 0.00 C ATOM 1229 CD LYS A 73 -3.070 -15.748 6.500 1.00 0.00 C ATOM 1230 CE LYS A 73 -4.307 -14.900 6.258 1.00 0.00 C ATOM 1231 NZ LYS A 73 -4.498 -14.596 4.812 1.00 0.00 N ATOM 0 H LYS A 73 0.582 -14.643 4.535 1.00 0.00 H new ATOM 0 HA LYS A 73 0.565 -14.251 7.304 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -0.485 -16.388 5.431 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -0.684 -16.554 7.164 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -1.730 -14.173 7.075 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -1.833 -14.429 5.344 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -3.072 -16.599 5.819 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -3.096 -16.151 7.513 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -5.185 -15.422 6.638 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -4.223 -13.968 6.817 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -5.433 -14.165 4.669 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -3.760 -13.935 4.496 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -4.434 -15.476 4.261 1.00 0.00 H new ATOM 1245 N GLN A 74 2.690 -16.478 6.301 1.00 0.00 N ATOM 1246 CA GLN A 74 3.752 -17.383 6.735 1.00 0.00 C ATOM 1247 C GLN A 74 4.518 -16.804 7.921 1.00 0.00 C ATOM 1248 O GLN A 74 4.978 -17.541 8.793 1.00 0.00 O ATOM 1249 CB GLN A 74 4.714 -17.672 5.581 1.00 0.00 C ATOM 1250 CG GLN A 74 5.116 -16.433 4.799 1.00 0.00 C ATOM 1251 CD GLN A 74 6.482 -16.566 4.156 1.00 0.00 C ATOM 1252 OE1 GLN A 74 7.395 -15.791 4.442 1.00 0.00 O ATOM 1253 NE2 GLN A 74 6.631 -17.554 3.281 1.00 0.00 N ATOM 0 H GLN A 74 2.695 -16.269 5.303 1.00 0.00 H new ATOM 0 HA GLN A 74 3.286 -18.317 7.051 1.00 0.00 H new ATOM 0 HB2 GLN A 74 5.611 -18.148 5.977 1.00 0.00 H new ATOM 0 HB3 GLN A 74 4.248 -18.385 4.901 1.00 0.00 H new ATOM 0 HG2 GLN A 74 4.372 -16.239 4.026 1.00 0.00 H new ATOM 0 HG3 GLN A 74 5.115 -15.571 5.466 1.00 0.00 H new ATOM 0 HE21 GLN A 74 5.848 -18.174 3.073 1.00 0.00 H new ATOM 0 HE22 GLN A 74 7.529 -17.693 2.817 1.00 0.00 H new ATOM 1262 N GLU A 75 4.652 -15.482 7.949 1.00 0.00 N ATOM 1263 CA GLU A 75 5.362 -14.810 9.032 1.00 0.00 C ATOM 1264 C GLU A 75 4.735 -13.455 9.356 1.00 0.00 C ATOM 1265 O GLU A 75 5.357 -12.614 10.004 1.00 0.00 O ATOM 1266 CB GLU A 75 6.838 -14.626 8.669 1.00 0.00 C ATOM 1267 CG GLU A 75 7.064 -14.211 7.223 1.00 0.00 C ATOM 1268 CD GLU A 75 8.531 -14.022 6.895 1.00 0.00 C ATOM 1269 OE1 GLU A 75 9.185 -13.191 7.557 1.00 0.00 O ATOM 1270 OE2 GLU A 75 9.027 -14.705 5.973 1.00 0.00 O ATOM 0 H GLU A 75 4.279 -14.856 7.236 1.00 0.00 H new ATOM 0 HA GLU A 75 5.285 -15.441 9.918 1.00 0.00 H new ATOM 0 HB2 GLU A 75 7.274 -13.873 9.326 1.00 0.00 H new ATOM 0 HB3 GLU A 75 7.369 -15.559 8.857 1.00 0.00 H new ATOM 0 HG2 GLU A 75 6.642 -14.967 6.561 1.00 0.00 H new ATOM 0 HG3 GLU A 75 6.529 -13.282 7.027 1.00 0.00 H new ATOM 1277 N ASN A 76 3.498 -13.247 8.904 1.00 0.00 N ATOM 1278 CA ASN A 76 2.787 -11.993 9.150 1.00 0.00 C ATOM 1279 C ASN A 76 3.677 -10.786 8.861 1.00 0.00 C ATOM 1280 O ASN A 76 4.128 -10.099 9.778 1.00 0.00 O ATOM 1281 CB ASN A 76 2.293 -11.942 10.599 1.00 0.00 C ATOM 1282 CG ASN A 76 1.539 -13.195 10.996 1.00 0.00 C ATOM 1283 OD1 ASN A 76 1.976 -14.311 10.719 1.00 0.00 O ATOM 1284 ND2 ASN A 76 0.397 -13.016 11.650 1.00 0.00 N ATOM 0 H ASN A 76 2.968 -13.932 8.365 1.00 0.00 H new ATOM 0 HA ASN A 76 1.932 -11.954 8.476 1.00 0.00 H new ATOM 0 HB2 ASN A 76 3.145 -11.807 11.266 1.00 0.00 H new ATOM 0 HB3 ASN A 76 1.645 -11.075 10.729 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -0.155 -13.822 11.943 1.00 0.00 H new ATOM 0 HD22 ASN A 76 0.072 -12.072 11.859 1.00 0.00 H new ATOM 1291 N THR A 77 3.926 -10.532 7.580 1.00 0.00 N ATOM 1292 CA THR A 77 4.763 -9.410 7.172 1.00 0.00 C ATOM 1293 C THR A 77 4.084 -8.594 6.076 1.00 0.00 C ATOM 1294 O THR A 77 3.422 -9.144 5.197 1.00 0.00 O ATOM 1295 CB THR A 77 6.120 -9.914 6.678 1.00 0.00 C ATOM 1296 OG1 THR A 77 6.779 -10.657 7.689 1.00 0.00 O ATOM 1297 CG2 THR A 77 7.048 -8.802 6.242 1.00 0.00 C ATOM 0 H THR A 77 3.560 -11.088 6.807 1.00 0.00 H new ATOM 0 HA THR A 77 4.913 -8.767 8.039 1.00 0.00 H new ATOM 0 HB THR A 77 5.899 -10.539 5.813 1.00 0.00 H new ATOM 0 HG1 THR A 77 7.644 -10.972 7.352 1.00 0.00 H new ATOM 0 HG21 THR A 77 7.992 -9.228 5.903 1.00 0.00 H new ATOM 0 HG22 THR A 77 6.589 -8.244 5.426 1.00 0.00 H new ATOM 0 HG23 THR A 77 7.233 -8.132 7.082 1.00 0.00 H new ATOM 1305 N LEU A 78 4.261 -7.277 6.133 1.00 0.00 N ATOM 1306 CA LEU A 78 3.672 -6.382 5.141 1.00 0.00 C ATOM 1307 C LEU A 78 4.691 -6.038 4.059 1.00 0.00 C ATOM 1308 O LEU A 78 5.437 -5.066 4.182 1.00 0.00 O ATOM 1309 CB LEU A 78 3.169 -5.101 5.810 1.00 0.00 C ATOM 1310 CG LEU A 78 2.631 -4.034 4.855 1.00 0.00 C ATOM 1311 CD1 LEU A 78 1.420 -4.558 4.099 1.00 0.00 C ATOM 1312 CD2 LEU A 78 2.280 -2.765 5.617 1.00 0.00 C ATOM 0 H LEU A 78 4.807 -6.806 6.855 1.00 0.00 H new ATOM 0 HA LEU A 78 2.828 -6.893 4.678 1.00 0.00 H new ATOM 0 HB2 LEU A 78 2.381 -5.364 6.516 1.00 0.00 H new ATOM 0 HB3 LEU A 78 3.985 -4.669 6.390 1.00 0.00 H new ATOM 0 HG LEU A 78 3.410 -3.794 4.131 1.00 0.00 H new ATOM 0 HD11 LEU A 78 1.050 -3.786 3.424 1.00 0.00 H new ATOM 0 HD12 LEU A 78 1.704 -5.438 3.522 1.00 0.00 H new ATOM 0 HD13 LEU A 78 0.637 -4.826 4.808 1.00 0.00 H new ATOM 0 HD21 LEU A 78 1.899 -2.017 4.922 1.00 0.00 H new ATOM 0 HD22 LEU A 78 1.518 -2.988 6.364 1.00 0.00 H new ATOM 0 HD23 LEU A 78 3.171 -2.380 6.112 1.00 0.00 H new ATOM 1324 N PHE A 79 4.720 -6.844 3.004 1.00 0.00 N ATOM 1325 CA PHE A 79 5.651 -6.630 1.903 1.00 0.00 C ATOM 1326 C PHE A 79 5.020 -5.761 0.817 1.00 0.00 C ATOM 1327 O PHE A 79 4.158 -6.217 0.064 1.00 0.00 O ATOM 1328 CB PHE A 79 6.093 -7.980 1.323 1.00 0.00 C ATOM 1329 CG PHE A 79 6.767 -7.889 -0.019 1.00 0.00 C ATOM 1330 CD1 PHE A 79 7.625 -6.839 -0.315 1.00 0.00 C ATOM 1331 CD2 PHE A 79 6.543 -8.857 -0.984 1.00 0.00 C ATOM 1332 CE1 PHE A 79 8.243 -6.759 -1.549 1.00 0.00 C ATOM 1333 CE2 PHE A 79 7.158 -8.782 -2.219 1.00 0.00 C ATOM 1334 CZ PHE A 79 8.009 -7.732 -2.502 1.00 0.00 C ATOM 0 H PHE A 79 4.109 -7.652 2.888 1.00 0.00 H new ATOM 0 HA PHE A 79 6.527 -6.105 2.286 1.00 0.00 H new ATOM 0 HB2 PHE A 79 6.774 -8.458 2.027 1.00 0.00 H new ATOM 0 HB3 PHE A 79 5.220 -8.627 1.235 1.00 0.00 H new ATOM 0 HD1 PHE A 79 7.812 -6.076 0.427 1.00 0.00 H new ATOM 0 HD2 PHE A 79 5.879 -9.681 -0.768 1.00 0.00 H new ATOM 0 HE1 PHE A 79 8.908 -5.937 -1.768 1.00 0.00 H new ATOM 0 HE2 PHE A 79 6.973 -9.544 -2.962 1.00 0.00 H new ATOM 0 HZ PHE A 79 8.491 -7.671 -3.467 1.00 0.00 H new ATOM 1344 N LEU A 80 5.460 -4.510 0.741 1.00 0.00 N ATOM 1345 CA LEU A 80 4.946 -3.576 -0.255 1.00 0.00 C ATOM 1346 C LEU A 80 5.321 -4.029 -1.662 1.00 0.00 C ATOM 1347 O LEU A 80 5.934 -5.082 -1.841 1.00 0.00 O ATOM 1348 CB LEU A 80 5.489 -2.170 0.006 1.00 0.00 C ATOM 1349 CG LEU A 80 4.889 -1.456 1.220 1.00 0.00 C ATOM 1350 CD1 LEU A 80 3.371 -1.465 1.150 1.00 0.00 C ATOM 1351 CD2 LEU A 80 5.369 -2.106 2.510 1.00 0.00 C ATOM 0 H LEU A 80 6.172 -4.119 1.358 1.00 0.00 H new ATOM 0 HA LEU A 80 3.859 -3.555 -0.176 1.00 0.00 H new ATOM 0 HB2 LEU A 80 6.569 -2.234 0.139 1.00 0.00 H new ATOM 0 HB3 LEU A 80 5.312 -1.559 -0.879 1.00 0.00 H new ATOM 0 HG LEU A 80 5.225 -0.419 1.210 1.00 0.00 H new ATOM 0 HD11 LEU A 80 2.964 -0.953 2.022 1.00 0.00 H new ATOM 0 HD12 LEU A 80 3.046 -0.954 0.244 1.00 0.00 H new ATOM 0 HD13 LEU A 80 3.014 -2.495 1.134 1.00 0.00 H new ATOM 0 HD21 LEU A 80 4.933 -1.586 3.363 1.00 0.00 H new ATOM 0 HD22 LEU A 80 5.062 -3.152 2.527 1.00 0.00 H new ATOM 0 HD23 LEU A 80 6.456 -2.046 2.565 1.00 0.00 H new ATOM 1363 N VAL A 81 4.951 -3.231 -2.657 1.00 0.00 N ATOM 1364 CA VAL A 81 5.251 -3.555 -4.047 1.00 0.00 C ATOM 1365 C VAL A 81 5.344 -2.293 -4.899 1.00 0.00 C ATOM 1366 O VAL A 81 6.398 -1.983 -5.452 1.00 0.00 O ATOM 1367 CB VAL A 81 4.184 -4.494 -4.646 1.00 0.00 C ATOM 1368 CG1 VAL A 81 4.552 -4.897 -6.066 1.00 0.00 C ATOM 1369 CG2 VAL A 81 4.004 -5.724 -3.767 1.00 0.00 C ATOM 0 H VAL A 81 4.443 -2.356 -2.528 1.00 0.00 H new ATOM 0 HA VAL A 81 6.215 -4.063 -4.054 1.00 0.00 H new ATOM 0 HB VAL A 81 3.237 -3.955 -4.683 1.00 0.00 H new ATOM 0 HG11 VAL A 81 3.784 -5.559 -6.467 1.00 0.00 H new ATOM 0 HG12 VAL A 81 4.625 -4.006 -6.690 1.00 0.00 H new ATOM 0 HG13 VAL A 81 5.511 -5.415 -6.060 1.00 0.00 H new ATOM 0 HG21 VAL A 81 3.248 -6.376 -4.204 1.00 0.00 H new ATOM 0 HG22 VAL A 81 4.949 -6.262 -3.696 1.00 0.00 H new ATOM 0 HG23 VAL A 81 3.686 -5.416 -2.771 1.00 0.00 H new ATOM 1379 N ARG A 82 4.233 -1.569 -5.000 1.00 0.00 N ATOM 1380 CA ARG A 82 4.193 -0.340 -5.786 1.00 0.00 C ATOM 1381 C ARG A 82 3.645 0.819 -4.956 1.00 0.00 C ATOM 1382 O ARG A 82 3.080 0.613 -3.883 1.00 0.00 O ATOM 1383 CB ARG A 82 3.339 -0.540 -7.040 1.00 0.00 C ATOM 1384 CG ARG A 82 4.117 -0.375 -8.337 1.00 0.00 C ATOM 1385 CD ARG A 82 3.273 0.290 -9.412 1.00 0.00 C ATOM 1386 NE ARG A 82 4.025 0.497 -10.648 1.00 0.00 N ATOM 1387 CZ ARG A 82 4.269 -0.463 -11.538 1.00 0.00 C ATOM 1388 NH1 ARG A 82 3.824 -1.697 -11.332 1.00 0.00 N ATOM 1389 NH2 ARG A 82 4.961 -0.189 -12.634 1.00 0.00 N ATOM 0 H ARG A 82 3.351 -1.811 -4.549 1.00 0.00 H new ATOM 0 HA ARG A 82 5.212 -0.095 -6.087 1.00 0.00 H new ATOM 0 HB2 ARG A 82 2.898 -1.536 -7.014 1.00 0.00 H new ATOM 0 HB3 ARG A 82 2.515 0.174 -7.026 1.00 0.00 H new ATOM 0 HG2 ARG A 82 5.010 0.222 -8.153 1.00 0.00 H new ATOM 0 HG3 ARG A 82 4.452 -1.351 -8.688 1.00 0.00 H new ATOM 0 HD2 ARG A 82 2.398 -0.326 -9.619 1.00 0.00 H new ATOM 0 HD3 ARG A 82 2.908 1.249 -9.045 1.00 0.00 H new ATOM 0 HE ARG A 82 4.384 1.432 -10.840 1.00 0.00 H new ATOM 0 HH11 ARG A 82 3.292 -1.913 -10.489 1.00 0.00 H new ATOM 0 HH12 ARG A 82 4.014 -2.429 -12.017 1.00 0.00 H new ATOM 0 HH21 ARG A 82 5.307 0.757 -12.796 1.00 0.00 H new ATOM 0 HH22 ARG A 82 5.148 -0.924 -13.316 1.00 0.00 H new ATOM 1403 N LEU A 83 3.818 2.035 -5.463 1.00 0.00 N ATOM 1404 CA LEU A 83 3.342 3.227 -4.770 1.00 0.00 C ATOM 1405 C LEU A 83 3.631 4.483 -5.588 1.00 0.00 C ATOM 1406 O LEU A 83 4.744 4.673 -6.079 1.00 0.00 O ATOM 1407 CB LEU A 83 4.000 3.340 -3.395 1.00 0.00 C ATOM 1408 CG LEU A 83 3.149 4.025 -2.325 1.00 0.00 C ATOM 1409 CD1 LEU A 83 3.508 3.503 -0.943 1.00 0.00 C ATOM 1410 CD2 LEU A 83 3.327 5.535 -2.390 1.00 0.00 C ATOM 0 H LEU A 83 4.284 2.221 -6.351 1.00 0.00 H new ATOM 0 HA LEU A 83 2.263 3.136 -4.643 1.00 0.00 H new ATOM 0 HB2 LEU A 83 4.256 2.339 -3.048 1.00 0.00 H new ATOM 0 HB3 LEU A 83 4.935 3.890 -3.501 1.00 0.00 H new ATOM 0 HG LEU A 83 2.101 3.794 -2.517 1.00 0.00 H new ATOM 0 HD11 LEU A 83 2.892 4.002 -0.194 1.00 0.00 H new ATOM 0 HD12 LEU A 83 3.329 2.428 -0.902 1.00 0.00 H new ATOM 0 HD13 LEU A 83 4.560 3.704 -0.740 1.00 0.00 H new ATOM 0 HD21 LEU A 83 2.714 6.007 -1.622 1.00 0.00 H new ATOM 0 HD22 LEU A 83 4.375 5.785 -2.223 1.00 0.00 H new ATOM 0 HD23 LEU A 83 3.020 5.896 -3.372 1.00 0.00 H new ATOM 1422 N GLY A 84 2.624 5.339 -5.725 1.00 0.00 N ATOM 1423 CA GLY A 84 2.794 6.567 -6.482 1.00 0.00 C ATOM 1424 C GLY A 84 1.700 6.770 -7.511 1.00 0.00 C ATOM 1425 O GLY A 84 0.550 6.395 -7.286 1.00 0.00 O ATOM 0 H GLY A 84 1.695 5.206 -5.327 1.00 0.00 H new ATOM 0 HA2 GLY A 84 2.805 7.414 -5.796 1.00 0.00 H new ATOM 0 HA3 GLY A 84 3.762 6.550 -6.984 1.00 0.00 H new ATOM 1429 N SER A 85 2.058 7.366 -8.644 1.00 0.00 N ATOM 1430 CA SER A 85 1.098 7.620 -9.711 1.00 0.00 C ATOM 1431 C SER A 85 1.626 7.113 -11.049 1.00 0.00 C ATOM 1432 O SER A 85 2.833 7.117 -11.294 1.00 0.00 O ATOM 1433 CB SER A 85 0.791 9.115 -9.806 1.00 0.00 C ATOM 1434 OG SER A 85 -0.211 9.370 -10.775 1.00 0.00 O ATOM 0 H SER A 85 3.006 7.682 -8.846 1.00 0.00 H new ATOM 0 HA SER A 85 0.180 7.082 -9.474 1.00 0.00 H new ATOM 0 HB2 SER A 85 0.464 9.485 -8.834 1.00 0.00 H new ATOM 0 HB3 SER A 85 1.699 9.660 -10.065 1.00 0.00 H new ATOM 0 HG SER A 85 0.163 9.920 -11.495 1.00 0.00 H new ATOM 1440 N HIS A 86 0.714 6.677 -11.912 1.00 0.00 N ATOM 1441 CA HIS A 86 1.087 6.167 -13.226 1.00 0.00 C ATOM 1442 C HIS A 86 1.717 7.264 -14.077 1.00 0.00 C ATOM 1443 O HIS A 86 2.674 7.021 -14.812 1.00 0.00 O ATOM 1444 CB HIS A 86 -0.140 5.593 -13.938 1.00 0.00 C ATOM 1445 CG HIS A 86 -1.240 6.591 -14.131 1.00 0.00 C ATOM 1446 ND1 HIS A 86 -1.468 7.237 -15.327 1.00 0.00 N ATOM 1447 CD2 HIS A 86 -2.177 7.054 -13.270 1.00 0.00 C ATOM 1448 CE1 HIS A 86 -2.498 8.054 -15.195 1.00 0.00 C ATOM 1449 NE2 HIS A 86 -2.946 7.960 -13.957 1.00 0.00 N ATOM 0 H HIS A 86 -0.289 6.667 -11.725 1.00 0.00 H new ATOM 0 HA HIS A 86 1.822 5.375 -13.087 1.00 0.00 H new ATOM 0 HB2 HIS A 86 0.163 5.205 -14.911 1.00 0.00 H new ATOM 0 HB3 HIS A 86 -0.522 4.749 -13.363 1.00 0.00 H new ATOM 0 HD2 HIS A 86 -2.297 6.765 -12.236 1.00 0.00 H new ATOM 0 HE1 HIS A 86 -2.904 8.690 -15.968 1.00 0.00 H new ATOM 0 HE2 HIS A 86 -3.737 8.477 -13.573 1.00 0.00 H new ATOM 1458 N SER A 87 1.173 8.471 -13.973 1.00 0.00 N ATOM 1459 CA SER A 87 1.681 9.607 -14.734 1.00 0.00 C ATOM 1460 C SER A 87 3.087 9.981 -14.278 1.00 0.00 C ATOM 1461 O SER A 87 3.900 10.461 -15.069 1.00 0.00 O ATOM 1462 CB SER A 87 0.748 10.809 -14.583 1.00 0.00 C ATOM 1463 OG SER A 87 0.529 11.117 -13.217 1.00 0.00 O ATOM 0 H SER A 87 0.380 8.689 -13.369 1.00 0.00 H new ATOM 0 HA SER A 87 1.722 9.318 -15.784 1.00 0.00 H new ATOM 0 HB2 SER A 87 1.178 11.673 -15.089 1.00 0.00 H new ATOM 0 HB3 SER A 87 -0.205 10.597 -15.068 1.00 0.00 H new ATOM 0 HG SER A 87 -0.069 11.890 -13.148 1.00 0.00 H new ATOM 1469 N GLU A 88 3.369 9.758 -12.998 1.00 0.00 N ATOM 1470 CA GLU A 88 4.677 10.072 -12.439 1.00 0.00 C ATOM 1471 C GLU A 88 5.747 9.139 -13.000 1.00 0.00 C ATOM 1472 O GLU A 88 6.770 9.592 -13.516 1.00 0.00 O ATOM 1473 CB GLU A 88 4.641 9.968 -10.912 1.00 0.00 C ATOM 1474 CG GLU A 88 5.377 11.097 -10.209 1.00 0.00 C ATOM 1475 CD GLU A 88 4.574 12.382 -10.168 1.00 0.00 C ATOM 1476 OE1 GLU A 88 4.135 12.842 -11.242 1.00 0.00 O ATOM 1477 OE2 GLU A 88 4.381 12.927 -9.060 1.00 0.00 O ATOM 0 H GLU A 88 2.709 9.361 -12.330 1.00 0.00 H new ATOM 0 HA GLU A 88 4.929 11.094 -12.720 1.00 0.00 H new ATOM 0 HB2 GLU A 88 3.603 9.960 -10.581 1.00 0.00 H new ATOM 0 HB3 GLU A 88 5.079 9.016 -10.610 1.00 0.00 H new ATOM 0 HG2 GLU A 88 5.617 10.790 -9.191 1.00 0.00 H new ATOM 0 HG3 GLU A 88 6.323 11.281 -10.718 1.00 0.00 H new ATOM 1484 N LEU A 89 5.503 7.837 -12.897 1.00 0.00 N ATOM 1485 CA LEU A 89 6.445 6.842 -13.396 1.00 0.00 C ATOM 1486 C LEU A 89 6.667 7.007 -14.896 1.00 0.00 C ATOM 1487 O LEU A 89 7.805 7.075 -15.362 1.00 0.00 O ATOM 1488 CB LEU A 89 5.937 5.431 -13.097 1.00 0.00 C ATOM 1489 CG LEU A 89 6.277 4.903 -11.703 1.00 0.00 C ATOM 1490 CD1 LEU A 89 5.192 5.282 -10.708 1.00 0.00 C ATOM 1491 CD2 LEU A 89 6.468 3.393 -11.736 1.00 0.00 C ATOM 0 H LEU A 89 4.662 7.446 -12.473 1.00 0.00 H new ATOM 0 HA LEU A 89 7.397 6.993 -12.887 1.00 0.00 H new ATOM 0 HB2 LEU A 89 4.854 5.417 -13.220 1.00 0.00 H new ATOM 0 HB3 LEU A 89 6.351 4.748 -13.839 1.00 0.00 H new ATOM 0 HG LEU A 89 7.212 5.361 -11.381 1.00 0.00 H new ATOM 0 HD11 LEU A 89 5.452 4.897 -9.722 1.00 0.00 H new ATOM 0 HD12 LEU A 89 5.103 6.367 -10.662 1.00 0.00 H new ATOM 0 HD13 LEU A 89 4.241 4.853 -11.025 1.00 0.00 H new ATOM 0 HD21 LEU A 89 6.709 3.035 -10.735 1.00 0.00 H new ATOM 0 HD22 LEU A 89 5.549 2.917 -12.080 1.00 0.00 H new ATOM 0 HD23 LEU A 89 7.282 3.144 -12.417 1.00 0.00 H new