USER MOD reduce.3.24.130724 H: found=0, std=0, add=869, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 871 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 105 TYR OH : rot 130:sc= 0.14 USER MOD Set 1.2: A 109 LYS NZ :NH3+ 163:sc= 0.15 (180deg=0.0581) USER MOD Set 2.1: A 98 SER OG : rot 46:sc= 0.676 USER MOD Set 2.2: A 100 GLN : amide:sc= 0 K(o=0.68,f=0.037) USER MOD Set 3.1: A 68 TYR OH : rot 30:sc= 0.527 USER MOD Set 3.2: A 101 LYS NZ :NH3+ -164:sc= 0.571 (180deg=0) USER MOD Set 4.1: A 13 SER OG : rot 30:sc= -0.55 USER MOD Set 4.2: A 66 GLN : amide:sc= 2.13 K(o=1.6,f=-14!) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 12 TYR OH : rot 30:sc= 0 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ -135:sc= 0.655 (180deg=-0.185) USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 34 THR OG1 : rot -160:sc= -0.963! USER MOD Single : A 40 LYS NZ :NH3+ 168:sc= -0.0129 (180deg=-0.142) USER MOD Single : A 43 HIS : no HD1:sc= -0.39 K(o=-0.39,f=-5.5!) USER MOD Single : A 46 SER OG : rot -84:sc= 0.00643 USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot -143:sc= -0.426 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 150:sc=-0.00518 USER MOD Single : A 72 ASN : amide:sc= -0.655 K(o=-0.65,f=-1.3!) USER MOD Single : A 76 SER OG : rot 26:sc= 0.417 USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 SER OG : rot 51:sc= 0.115 USER MOD Single : A 111 TYR OH : rot 180:sc= 0 USER MOD Single : A 125 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 128 MET CE :methyl 164:sc= -0.228 (180deg=-0.868) USER MOD Single : A 130 SER OG : rot 90:sc= 0.601 USER MOD ----------------------------------------------------------------- ATOM 18 N LEU A 2 4.389 0.034 -2.021 1.00 0.00 N ATOM 19 CA LEU A 2 5.842 0.066 -1.886 1.00 0.00 C ATOM 20 C LEU A 2 6.343 1.497 -1.728 1.00 0.00 C ATOM 21 O LEU A 2 5.672 2.450 -2.128 1.00 0.00 O ATOM 22 CB LEU A 2 6.501 -0.586 -3.104 1.00 0.00 C ATOM 23 CG LEU A 2 7.444 -1.753 -2.812 1.00 0.00 C ATOM 24 CD1 LEU A 2 8.695 -1.263 -2.099 1.00 0.00 C ATOM 25 CD2 LEU A 2 6.737 -2.816 -1.984 1.00 0.00 C ATOM 0 HA LEU A 2 6.112 -0.494 -0.991 1.00 0.00 H new ATOM 0 HB2 LEU A 2 5.715 -0.938 -3.772 1.00 0.00 H new ATOM 0 HB3 LEU A 2 7.059 0.179 -3.644 1.00 0.00 H new ATOM 0 HG LEU A 2 7.743 -2.200 -3.760 1.00 0.00 H new ATOM 0 HD11 LEU A 2 9.354 -2.108 -1.899 1.00 0.00 H new ATOM 0 HD12 LEU A 2 9.213 -0.539 -2.729 1.00 0.00 H new ATOM 0 HD13 LEU A 2 8.416 -0.790 -1.157 1.00 0.00 H new ATOM 0 HD21 LEU A 2 7.424 -3.639 -1.786 1.00 0.00 H new ATOM 0 HD22 LEU A 2 6.408 -2.382 -1.040 1.00 0.00 H new ATOM 0 HD23 LEU A 2 5.872 -3.189 -2.533 1.00 0.00 H new ATOM 37 N LEU A 3 7.527 1.643 -1.144 1.00 0.00 N ATOM 38 CA LEU A 3 8.121 2.959 -0.934 1.00 0.00 C ATOM 39 C LEU A 3 9.428 3.096 -1.708 1.00 0.00 C ATOM 40 O LEU A 3 10.317 3.851 -1.315 1.00 0.00 O ATOM 41 CB LEU A 3 8.371 3.196 0.556 1.00 0.00 C ATOM 42 CG LEU A 3 7.238 2.788 1.500 1.00 0.00 C ATOM 43 CD1 LEU A 3 7.402 1.341 1.936 1.00 0.00 C ATOM 44 CD2 LEU A 3 7.194 3.710 2.710 1.00 0.00 C ATOM 0 H LEU A 3 8.095 0.866 -0.807 1.00 0.00 H new ATOM 0 HA LEU A 3 7.421 3.709 -1.302 1.00 0.00 H new ATOM 0 HB2 LEU A 3 9.271 2.652 0.844 1.00 0.00 H new ATOM 0 HB3 LEU A 3 8.578 4.256 0.705 1.00 0.00 H new ATOM 0 HG LEU A 3 6.293 2.880 0.964 1.00 0.00 H new ATOM 0 HD11 LEU A 3 6.587 1.069 2.607 1.00 0.00 H new ATOM 0 HD12 LEU A 3 7.383 0.693 1.060 1.00 0.00 H new ATOM 0 HD13 LEU A 3 8.354 1.223 2.454 1.00 0.00 H new ATOM 0 HD21 LEU A 3 6.382 3.405 3.370 1.00 0.00 H new ATOM 0 HD22 LEU A 3 8.141 3.651 3.247 1.00 0.00 H new ATOM 0 HD23 LEU A 3 7.028 4.735 2.380 1.00 0.00 H new ATOM 56 N ILE A 4 9.536 2.364 -2.812 1.00 0.00 N ATOM 57 CA ILE A 4 10.732 2.407 -3.643 1.00 0.00 C ATOM 58 C ILE A 4 10.485 3.200 -4.921 1.00 0.00 C ATOM 59 O ILE A 4 9.413 3.776 -5.112 1.00 0.00 O ATOM 60 CB ILE A 4 11.210 0.991 -4.015 1.00 0.00 C ATOM 61 CG1 ILE A 4 10.149 0.274 -4.853 1.00 0.00 C ATOM 62 CG2 ILE A 4 11.530 0.193 -2.760 1.00 0.00 C ATOM 63 CD1 ILE A 4 10.616 -1.050 -5.415 1.00 0.00 C ATOM 0 H ILE A 4 8.809 1.734 -3.151 1.00 0.00 H new ATOM 0 HA ILE A 4 11.507 2.901 -3.056 1.00 0.00 H new ATOM 0 HB ILE A 4 12.119 1.075 -4.610 1.00 0.00 H new ATOM 0 HG12 ILE A 4 9.264 0.107 -4.239 1.00 0.00 H new ATOM 0 HG13 ILE A 4 9.848 0.923 -5.676 1.00 0.00 H new ATOM 0 HG21 ILE A 4 11.866 -0.805 -3.040 1.00 0.00 H new ATOM 0 HG22 ILE A 4 12.317 0.697 -2.199 1.00 0.00 H new ATOM 0 HG23 ILE A 4 10.636 0.115 -2.141 1.00 0.00 H new ATOM 0 HD11 ILE A 4 9.813 -1.502 -5.998 1.00 0.00 H new ATOM 0 HD12 ILE A 4 11.482 -0.888 -6.056 1.00 0.00 H new ATOM 0 HD13 ILE A 4 10.890 -1.716 -4.597 1.00 0.00 H new ATOM 75 N THR A 5 11.485 3.226 -5.798 1.00 0.00 N ATOM 76 CA THR A 5 11.377 3.948 -7.059 1.00 0.00 C ATOM 77 C THR A 5 11.764 3.060 -8.236 1.00 0.00 C ATOM 78 O THR A 5 12.449 2.049 -8.083 1.00 0.00 O ATOM 79 CB THR A 5 12.267 5.205 -7.065 1.00 0.00 C ATOM 80 OG1 THR A 5 13.441 4.977 -6.278 1.00 0.00 O ATOM 81 CG2 THR A 5 11.510 6.407 -6.519 1.00 0.00 C ATOM 0 H THR A 5 12.379 2.755 -5.657 1.00 0.00 H new ATOM 0 HA THR A 5 10.335 4.249 -7.162 1.00 0.00 H new ATOM 0 HB THR A 5 12.555 5.414 -8.095 1.00 0.00 H new ATOM 0 HG1 THR A 5 14.003 5.780 -6.288 1.00 0.00 H new ATOM 0 HG21 THR A 5 12.159 7.283 -6.533 1.00 0.00 H new ATOM 0 HG22 THR A 5 10.632 6.596 -7.137 1.00 0.00 H new ATOM 0 HG23 THR A 5 11.196 6.205 -5.495 1.00 0.00 H new ATOM 89 N PRO A 6 11.316 3.444 -9.441 1.00 0.00 N ATOM 90 CA PRO A 6 11.605 2.696 -10.668 1.00 0.00 C ATOM 91 C PRO A 6 13.072 2.792 -11.073 1.00 0.00 C ATOM 92 O PRO A 6 13.611 1.885 -11.707 1.00 0.00 O ATOM 93 CB PRO A 6 10.716 3.374 -11.714 1.00 0.00 C ATOM 94 CG PRO A 6 10.508 4.755 -11.197 1.00 0.00 C ATOM 95 CD PRO A 6 10.495 4.639 -9.698 1.00 0.00 C ATOM 0 HA PRO A 6 11.412 1.630 -10.551 1.00 0.00 H new ATOM 0 HB2 PRO A 6 11.195 3.386 -12.693 1.00 0.00 H new ATOM 0 HB3 PRO A 6 9.769 2.848 -11.829 1.00 0.00 H new ATOM 0 HG2 PRO A 6 11.305 5.420 -11.530 1.00 0.00 H new ATOM 0 HG3 PRO A 6 9.570 5.172 -11.564 1.00 0.00 H new ATOM 0 HD2 PRO A 6 10.916 5.525 -9.223 1.00 0.00 H new ATOM 0 HD3 PRO A 6 9.482 4.521 -9.313 1.00 0.00 H new ATOM 103 N ASP A 7 13.712 3.896 -10.704 1.00 0.00 N ATOM 104 CA ASP A 7 15.118 4.109 -11.028 1.00 0.00 C ATOM 105 C ASP A 7 16.008 3.148 -10.246 1.00 0.00 C ATOM 106 O ASP A 7 17.035 2.692 -10.747 1.00 0.00 O ATOM 107 CB ASP A 7 15.519 5.554 -10.728 1.00 0.00 C ATOM 108 CG ASP A 7 15.805 6.349 -11.986 1.00 0.00 C ATOM 109 OD1 ASP A 7 14.855 6.604 -12.756 1.00 0.00 O ATOM 110 OD2 ASP A 7 16.979 6.717 -12.201 1.00 0.00 O ATOM 0 H ASP A 7 13.280 4.657 -10.180 1.00 0.00 H new ATOM 0 HA ASP A 7 15.253 3.916 -12.092 1.00 0.00 H new ATOM 0 HB2 ASP A 7 14.720 6.041 -10.168 1.00 0.00 H new ATOM 0 HB3 ASP A 7 16.403 5.558 -10.091 1.00 0.00 H new ATOM 115 N GLU A 8 15.606 2.846 -9.015 1.00 0.00 N ATOM 116 CA GLU A 8 16.369 1.941 -8.164 1.00 0.00 C ATOM 117 C GLU A 8 16.297 0.510 -8.689 1.00 0.00 C ATOM 118 O GLU A 8 17.258 -0.253 -8.581 1.00 0.00 O ATOM 119 CB GLU A 8 15.847 1.996 -6.726 1.00 0.00 C ATOM 120 CG GLU A 8 16.899 2.415 -5.713 1.00 0.00 C ATOM 121 CD GLU A 8 18.112 1.505 -5.720 1.00 0.00 C ATOM 122 OE1 GLU A 8 18.002 0.368 -5.215 1.00 0.00 O ATOM 123 OE2 GLU A 8 19.170 1.930 -6.229 1.00 0.00 O ATOM 0 H GLU A 8 14.757 3.215 -8.586 1.00 0.00 H new ATOM 0 HA GLU A 8 17.411 2.262 -8.177 1.00 0.00 H new ATOM 0 HB2 GLU A 8 15.011 2.693 -6.678 1.00 0.00 H new ATOM 0 HB3 GLU A 8 15.460 1.015 -6.451 1.00 0.00 H new ATOM 0 HG2 GLU A 8 17.215 3.437 -5.924 1.00 0.00 H new ATOM 0 HG3 GLU A 8 16.457 2.418 -4.716 1.00 0.00 H new ATOM 130 N LEU A 9 15.150 0.152 -9.256 1.00 0.00 N ATOM 131 CA LEU A 9 14.950 -1.188 -9.798 1.00 0.00 C ATOM 132 C LEU A 9 16.024 -1.524 -10.828 1.00 0.00 C ATOM 133 O LEU A 9 16.652 -2.581 -10.764 1.00 0.00 O ATOM 134 CB LEU A 9 13.564 -1.301 -10.434 1.00 0.00 C ATOM 135 CG LEU A 9 13.355 -2.481 -11.383 1.00 0.00 C ATOM 136 CD1 LEU A 9 13.762 -3.784 -10.713 1.00 0.00 C ATOM 137 CD2 LEU A 9 11.905 -2.546 -11.842 1.00 0.00 C ATOM 0 H LEU A 9 14.345 0.770 -9.352 1.00 0.00 H new ATOM 0 HA LEU A 9 15.025 -1.900 -8.976 1.00 0.00 H new ATOM 0 HB2 LEU A 9 12.824 -1.367 -9.636 1.00 0.00 H new ATOM 0 HB3 LEU A 9 13.361 -0.380 -10.981 1.00 0.00 H new ATOM 0 HG LEU A 9 13.987 -2.334 -12.259 1.00 0.00 H new ATOM 0 HD11 LEU A 9 13.606 -4.613 -11.404 1.00 0.00 H new ATOM 0 HD12 LEU A 9 14.815 -3.737 -10.435 1.00 0.00 H new ATOM 0 HD13 LEU A 9 13.157 -3.938 -9.819 1.00 0.00 H new ATOM 0 HD21 LEU A 9 11.775 -3.392 -12.517 1.00 0.00 H new ATOM 0 HD22 LEU A 9 11.254 -2.669 -10.976 1.00 0.00 H new ATOM 0 HD23 LEU A 9 11.646 -1.624 -12.362 1.00 0.00 H new ATOM 149 N LYS A 10 16.231 -0.617 -11.777 1.00 0.00 N ATOM 150 CA LYS A 10 17.230 -0.815 -12.820 1.00 0.00 C ATOM 151 C LYS A 10 18.641 -0.700 -12.250 1.00 0.00 C ATOM 152 O LYS A 10 19.577 -1.317 -12.757 1.00 0.00 O ATOM 153 CB LYS A 10 17.037 0.209 -13.941 1.00 0.00 C ATOM 154 CG LYS A 10 16.983 1.645 -13.450 1.00 0.00 C ATOM 155 CD LYS A 10 16.967 2.629 -14.608 1.00 0.00 C ATOM 156 CE LYS A 10 18.361 2.843 -15.177 1.00 0.00 C ATOM 157 NZ LYS A 10 18.919 4.169 -14.792 1.00 0.00 N ATOM 0 H LYS A 10 15.720 0.263 -11.845 1.00 0.00 H new ATOM 0 HA LYS A 10 17.101 -1.818 -13.226 1.00 0.00 H new ATOM 0 HB2 LYS A 10 17.853 0.109 -14.657 1.00 0.00 H new ATOM 0 HB3 LYS A 10 16.114 -0.019 -14.475 1.00 0.00 H new ATOM 0 HG2 LYS A 10 16.093 1.788 -12.837 1.00 0.00 H new ATOM 0 HG3 LYS A 10 17.844 1.845 -12.813 1.00 0.00 H new ATOM 0 HD2 LYS A 10 16.306 2.259 -15.392 1.00 0.00 H new ATOM 0 HD3 LYS A 10 16.560 3.582 -14.271 1.00 0.00 H new ATOM 0 HE2 LYS A 10 19.023 2.053 -14.822 1.00 0.00 H new ATOM 0 HE3 LYS A 10 18.326 2.765 -16.264 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 19.870 4.277 -15.199 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 18.301 4.924 -15.152 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 18.977 4.234 -13.756 1.00 0.00 H new ATOM 171 N SER A 11 18.784 0.093 -11.193 1.00 0.00 N ATOM 172 CA SER A 11 20.081 0.290 -10.556 1.00 0.00 C ATOM 173 C SER A 11 20.613 -1.022 -9.988 1.00 0.00 C ATOM 174 O SER A 11 21.823 -1.225 -9.893 1.00 0.00 O ATOM 175 CB SER A 11 19.973 1.334 -9.442 1.00 0.00 C ATOM 176 OG SER A 11 21.247 1.854 -9.105 1.00 0.00 O ATOM 0 H SER A 11 18.018 0.609 -10.760 1.00 0.00 H new ATOM 0 HA SER A 11 20.779 0.647 -11.313 1.00 0.00 H new ATOM 0 HB2 SER A 11 19.319 2.145 -9.762 1.00 0.00 H new ATOM 0 HB3 SER A 11 19.516 0.884 -8.561 1.00 0.00 H new ATOM 0 HG SER A 11 21.151 2.520 -8.392 1.00 0.00 H new ATOM 182 N TYR A 12 19.699 -1.910 -9.612 1.00 0.00 N ATOM 183 CA TYR A 12 20.074 -3.202 -9.051 1.00 0.00 C ATOM 184 C TYR A 12 19.916 -4.312 -10.086 1.00 0.00 C ATOM 185 O TYR A 12 20.822 -5.121 -10.288 1.00 0.00 O ATOM 186 CB TYR A 12 19.222 -3.514 -7.819 1.00 0.00 C ATOM 187 CG TYR A 12 19.476 -4.887 -7.239 1.00 0.00 C ATOM 188 CD1 TYR A 12 20.650 -5.166 -6.551 1.00 0.00 C ATOM 189 CD2 TYR A 12 18.542 -5.906 -7.380 1.00 0.00 C ATOM 190 CE1 TYR A 12 20.887 -6.419 -6.019 1.00 0.00 C ATOM 191 CE2 TYR A 12 18.769 -7.161 -6.851 1.00 0.00 C ATOM 192 CZ TYR A 12 19.943 -7.413 -6.172 1.00 0.00 C ATOM 193 OH TYR A 12 20.173 -8.663 -5.645 1.00 0.00 O ATOM 0 H TYR A 12 18.693 -1.758 -9.686 1.00 0.00 H new ATOM 0 HA TYR A 12 21.122 -3.151 -8.756 1.00 0.00 H new ATOM 0 HB2 TYR A 12 19.417 -2.763 -7.053 1.00 0.00 H new ATOM 0 HB3 TYR A 12 18.168 -3.431 -8.086 1.00 0.00 H new ATOM 0 HD1 TYR A 12 21.391 -4.390 -6.430 1.00 0.00 H new ATOM 0 HD2 TYR A 12 17.623 -5.713 -7.913 1.00 0.00 H new ATOM 0 HE1 TYR A 12 21.805 -6.619 -5.487 1.00 0.00 H new ATOM 0 HE2 TYR A 12 18.031 -7.941 -6.968 1.00 0.00 H new ATOM 0 HH TYR A 12 20.736 -8.583 -4.847 1.00 0.00 H new ATOM 203 N SER A 13 18.759 -4.343 -10.739 1.00 0.00 N ATOM 204 CA SER A 13 18.480 -5.354 -11.751 1.00 0.00 C ATOM 205 C SER A 13 19.598 -5.409 -12.788 1.00 0.00 C ATOM 206 O SER A 13 20.376 -4.465 -12.929 1.00 0.00 O ATOM 207 CB SER A 13 17.145 -5.062 -12.440 1.00 0.00 C ATOM 208 OG SER A 13 17.009 -5.819 -13.630 1.00 0.00 O ATOM 0 H SER A 13 18.000 -3.679 -10.585 1.00 0.00 H new ATOM 0 HA SER A 13 18.421 -6.322 -11.254 1.00 0.00 H new ATOM 0 HB2 SER A 13 16.324 -5.294 -11.762 1.00 0.00 H new ATOM 0 HB3 SER A 13 17.077 -3.999 -12.672 1.00 0.00 H new ATOM 0 HG SER A 13 17.500 -6.662 -13.539 1.00 0.00 H new ATOM 214 N VAL A 14 19.672 -6.522 -13.511 1.00 0.00 N ATOM 215 CA VAL A 14 20.694 -6.701 -14.536 1.00 0.00 C ATOM 216 C VAL A 14 20.067 -6.838 -15.919 1.00 0.00 C ATOM 217 O VAL A 14 20.700 -6.540 -16.932 1.00 0.00 O ATOM 218 CB VAL A 14 21.562 -7.941 -14.253 1.00 0.00 C ATOM 219 CG1 VAL A 14 22.184 -7.853 -12.868 1.00 0.00 C ATOM 220 CG2 VAL A 14 20.737 -9.212 -14.395 1.00 0.00 C ATOM 0 H VAL A 14 19.037 -7.313 -13.406 1.00 0.00 H new ATOM 0 HA VAL A 14 21.325 -5.812 -14.512 1.00 0.00 H new ATOM 0 HB VAL A 14 22.368 -7.973 -14.986 1.00 0.00 H new ATOM 0 HG11 VAL A 14 22.794 -8.738 -12.686 1.00 0.00 H new ATOM 0 HG12 VAL A 14 22.809 -6.962 -12.806 1.00 0.00 H new ATOM 0 HG13 VAL A 14 21.395 -7.795 -12.118 1.00 0.00 H new ATOM 0 HG21 VAL A 14 21.366 -10.079 -14.192 1.00 0.00 H new ATOM 0 HG22 VAL A 14 19.909 -9.190 -13.686 1.00 0.00 H new ATOM 0 HG23 VAL A 14 20.344 -9.279 -15.409 1.00 0.00 H new ATOM 230 N PHE A 15 18.818 -7.291 -15.954 1.00 0.00 N ATOM 231 CA PHE A 15 18.104 -7.468 -17.213 1.00 0.00 C ATOM 232 C PHE A 15 17.935 -6.134 -17.935 1.00 0.00 C ATOM 233 O PHE A 15 17.293 -5.218 -17.424 1.00 0.00 O ATOM 234 CB PHE A 15 16.734 -8.102 -16.963 1.00 0.00 C ATOM 235 CG PHE A 15 16.645 -9.533 -17.410 1.00 0.00 C ATOM 236 CD1 PHE A 15 16.723 -9.859 -18.754 1.00 0.00 C ATOM 237 CD2 PHE A 15 16.483 -10.553 -16.485 1.00 0.00 C ATOM 238 CE1 PHE A 15 16.642 -11.175 -19.169 1.00 0.00 C ATOM 239 CE2 PHE A 15 16.402 -11.870 -16.894 1.00 0.00 C ATOM 240 CZ PHE A 15 16.480 -12.182 -18.238 1.00 0.00 C ATOM 0 H PHE A 15 18.280 -7.542 -15.125 1.00 0.00 H new ATOM 0 HA PHE A 15 18.694 -8.132 -17.845 1.00 0.00 H new ATOM 0 HB2 PHE A 15 16.506 -8.047 -15.898 1.00 0.00 H new ATOM 0 HB3 PHE A 15 15.973 -7.520 -17.482 1.00 0.00 H new ATOM 0 HD1 PHE A 15 16.849 -9.075 -19.487 1.00 0.00 H new ATOM 0 HD2 PHE A 15 16.419 -10.315 -15.433 1.00 0.00 H new ATOM 0 HE1 PHE A 15 16.705 -11.415 -20.220 1.00 0.00 H new ATOM 0 HE2 PHE A 15 16.278 -12.656 -16.164 1.00 0.00 H new ATOM 0 HZ PHE A 15 16.414 -13.211 -18.559 1.00 0.00 H new ATOM 250 N GLU A 16 18.518 -6.035 -19.126 1.00 0.00 N ATOM 251 CA GLU A 16 18.433 -4.813 -19.918 1.00 0.00 C ATOM 252 C GLU A 16 16.981 -4.480 -20.250 1.00 0.00 C ATOM 253 O GLU A 16 16.654 -3.338 -20.573 1.00 0.00 O ATOM 254 CB GLU A 16 19.242 -4.958 -21.208 1.00 0.00 C ATOM 255 CG GLU A 16 18.748 -6.072 -22.115 1.00 0.00 C ATOM 256 CD GLU A 16 19.744 -6.425 -23.202 1.00 0.00 C ATOM 257 OE1 GLU A 16 19.735 -5.753 -24.255 1.00 0.00 O ATOM 258 OE2 GLU A 16 20.533 -7.372 -23.001 1.00 0.00 O ATOM 0 H GLU A 16 19.053 -6.785 -19.563 1.00 0.00 H new ATOM 0 HA GLU A 16 18.849 -3.997 -19.327 1.00 0.00 H new ATOM 0 HB2 GLU A 16 19.210 -4.015 -21.754 1.00 0.00 H new ATOM 0 HB3 GLU A 16 20.285 -5.144 -20.953 1.00 0.00 H new ATOM 0 HG2 GLU A 16 18.541 -6.958 -21.515 1.00 0.00 H new ATOM 0 HG3 GLU A 16 17.806 -5.771 -22.574 1.00 0.00 H new ATOM 265 N SER A 17 16.116 -5.485 -20.168 1.00 0.00 N ATOM 266 CA SER A 17 14.700 -5.300 -20.464 1.00 0.00 C ATOM 267 C SER A 17 14.020 -4.474 -19.376 1.00 0.00 C ATOM 268 O SER A 17 13.113 -3.689 -19.652 1.00 0.00 O ATOM 269 CB SER A 17 14.004 -6.656 -20.599 1.00 0.00 C ATOM 270 OG SER A 17 14.536 -7.396 -21.685 1.00 0.00 O ATOM 0 H SER A 17 16.370 -6.436 -19.899 1.00 0.00 H new ATOM 0 HA SER A 17 14.620 -4.762 -21.408 1.00 0.00 H new ATOM 0 HB2 SER A 17 14.123 -7.223 -19.676 1.00 0.00 H new ATOM 0 HB3 SER A 17 12.934 -6.506 -20.746 1.00 0.00 H new ATOM 0 HG SER A 17 14.076 -8.259 -21.749 1.00 0.00 H new ATOM 276 N VAL A 18 14.467 -4.657 -18.137 1.00 0.00 N ATOM 277 CA VAL A 18 13.904 -3.929 -17.006 1.00 0.00 C ATOM 278 C VAL A 18 14.385 -2.482 -16.990 1.00 0.00 C ATOM 279 O VAL A 18 13.660 -1.579 -16.573 1.00 0.00 O ATOM 280 CB VAL A 18 14.273 -4.597 -15.669 1.00 0.00 C ATOM 281 CG1 VAL A 18 13.664 -3.832 -14.503 1.00 0.00 C ATOM 282 CG2 VAL A 18 13.823 -6.050 -15.657 1.00 0.00 C ATOM 0 H VAL A 18 15.217 -5.303 -17.891 1.00 0.00 H new ATOM 0 HA VAL A 18 12.821 -3.947 -17.125 1.00 0.00 H new ATOM 0 HB VAL A 18 15.357 -4.575 -15.560 1.00 0.00 H new ATOM 0 HG11 VAL A 18 13.936 -4.319 -13.567 1.00 0.00 H new ATOM 0 HG12 VAL A 18 14.041 -2.809 -14.503 1.00 0.00 H new ATOM 0 HG13 VAL A 18 12.579 -3.819 -14.604 1.00 0.00 H new ATOM 0 HG21 VAL A 18 14.092 -6.506 -14.704 1.00 0.00 H new ATOM 0 HG22 VAL A 18 12.742 -6.097 -15.790 1.00 0.00 H new ATOM 0 HG23 VAL A 18 14.312 -6.589 -16.468 1.00 0.00 H new ATOM 292 N LYS A 19 15.615 -2.268 -17.446 1.00 0.00 N ATOM 293 CA LYS A 19 16.195 -0.931 -17.486 1.00 0.00 C ATOM 294 C LYS A 19 15.723 -0.170 -18.721 1.00 0.00 C ATOM 295 O LYS A 19 15.282 0.976 -18.627 1.00 0.00 O ATOM 296 CB LYS A 19 17.723 -1.015 -17.479 1.00 0.00 C ATOM 297 CG LYS A 19 18.273 -2.000 -16.461 1.00 0.00 C ATOM 298 CD LYS A 19 19.791 -2.054 -16.502 1.00 0.00 C ATOM 299 CE LYS A 19 20.357 -2.745 -15.271 1.00 0.00 C ATOM 300 NZ LYS A 19 21.503 -1.992 -14.691 1.00 0.00 N ATOM 0 H LYS A 19 16.230 -3.004 -17.793 1.00 0.00 H new ATOM 0 HA LYS A 19 15.863 -0.391 -16.599 1.00 0.00 H new ATOM 0 HB2 LYS A 19 18.067 -1.302 -18.473 1.00 0.00 H new ATOM 0 HB3 LYS A 19 18.132 -0.026 -17.273 1.00 0.00 H new ATOM 0 HG2 LYS A 19 17.945 -1.713 -15.462 1.00 0.00 H new ATOM 0 HG3 LYS A 19 17.867 -2.992 -16.657 1.00 0.00 H new ATOM 0 HD2 LYS A 19 20.113 -2.584 -17.398 1.00 0.00 H new ATOM 0 HD3 LYS A 19 20.191 -1.042 -16.569 1.00 0.00 H new ATOM 0 HE2 LYS A 19 19.574 -2.849 -14.520 1.00 0.00 H new ATOM 0 HE3 LYS A 19 20.680 -3.752 -15.536 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 22.272 -2.653 -14.461 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 21.843 -1.292 -15.381 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 21.196 -1.504 -13.825 1.00 0.00 H new ATOM 314 N THR A 20 15.816 -0.815 -19.880 1.00 0.00 N ATOM 315 CA THR A 20 15.399 -0.200 -21.133 1.00 0.00 C ATOM 316 C THR A 20 13.967 0.316 -21.043 1.00 0.00 C ATOM 317 O THR A 20 13.608 1.296 -21.695 1.00 0.00 O ATOM 318 CB THR A 20 15.502 -1.191 -22.308 1.00 0.00 C ATOM 319 OG1 THR A 20 15.316 -0.501 -23.549 1.00 0.00 O ATOM 320 CG2 THR A 20 14.465 -2.296 -22.176 1.00 0.00 C ATOM 0 H THR A 20 16.177 -1.764 -19.976 1.00 0.00 H new ATOM 0 HA THR A 20 16.074 0.637 -21.313 1.00 0.00 H new ATOM 0 HB THR A 20 16.494 -1.641 -22.289 1.00 0.00 H new ATOM 0 HG1 THR A 20 15.384 -1.138 -24.291 1.00 0.00 H new ATOM 0 HG21 THR A 20 14.557 -2.984 -23.017 1.00 0.00 H new ATOM 0 HG22 THR A 20 14.628 -2.838 -21.244 1.00 0.00 H new ATOM 0 HG23 THR A 20 13.466 -1.859 -22.172 1.00 0.00 H new ATOM 328 N ARG A 21 13.154 -0.350 -20.230 1.00 0.00 N ATOM 329 CA ARG A 21 11.760 0.042 -20.054 1.00 0.00 C ATOM 330 C ARG A 21 11.660 1.460 -19.501 1.00 0.00 C ATOM 331 O ARG A 21 12.607 1.998 -18.928 1.00 0.00 O ATOM 332 CB ARG A 21 11.048 -0.935 -19.116 1.00 0.00 C ATOM 333 CG ARG A 21 10.107 -1.890 -19.831 1.00 0.00 C ATOM 334 CD ARG A 21 10.069 -3.249 -19.151 1.00 0.00 C ATOM 335 NE ARG A 21 10.440 -4.328 -20.062 1.00 0.00 N ATOM 336 CZ ARG A 21 9.689 -4.716 -21.087 1.00 0.00 C ATOM 337 NH1 ARG A 21 8.532 -4.115 -21.329 1.00 0.00 N ATOM 338 NH2 ARG A 21 10.095 -5.706 -21.872 1.00 0.00 N ATOM 0 H ARG A 21 13.436 -1.163 -19.683 1.00 0.00 H new ATOM 0 HA ARG A 21 11.275 0.016 -21.030 1.00 0.00 H new ATOM 0 HB2 ARG A 21 11.795 -1.513 -18.573 1.00 0.00 H new ATOM 0 HB3 ARG A 21 10.483 -0.368 -18.376 1.00 0.00 H new ATOM 0 HG2 ARG A 21 9.104 -1.465 -19.853 1.00 0.00 H new ATOM 0 HG3 ARG A 21 10.426 -2.009 -20.867 1.00 0.00 H new ATOM 0 HD2 ARG A 21 10.747 -3.246 -18.297 1.00 0.00 H new ATOM 0 HD3 ARG A 21 9.067 -3.432 -18.762 1.00 0.00 H new ATOM 0 HE ARG A 21 11.324 -4.810 -19.903 1.00 0.00 H new ATOM 0 HH11 ARG A 21 8.217 -3.353 -20.728 1.00 0.00 H new ATOM 0 HH12 ARG A 21 7.957 -4.414 -22.116 1.00 0.00 H new ATOM 0 HH21 ARG A 21 10.985 -6.170 -21.689 1.00 0.00 H new ATOM 0 HH22 ARG A 21 9.517 -6.003 -22.659 1.00 0.00 H new ATOM 352 N PRO A 22 10.484 2.082 -19.676 1.00 0.00 N ATOM 353 CA PRO A 22 10.231 3.446 -19.202 1.00 0.00 C ATOM 354 C PRO A 22 10.159 3.526 -17.681 1.00 0.00 C ATOM 355 O PRO A 22 10.470 2.561 -16.983 1.00 0.00 O ATOM 356 CB PRO A 22 8.875 3.791 -19.821 1.00 0.00 C ATOM 357 CG PRO A 22 8.210 2.475 -20.034 1.00 0.00 C ATOM 358 CD PRO A 22 9.311 1.501 -20.351 1.00 0.00 C ATOM 0 HA PRO A 22 11.030 4.131 -19.485 1.00 0.00 H new ATOM 0 HB2 PRO A 22 8.288 4.428 -19.159 1.00 0.00 H new ATOM 0 HB3 PRO A 22 8.994 4.331 -20.760 1.00 0.00 H new ATOM 0 HG2 PRO A 22 7.661 2.167 -19.144 1.00 0.00 H new ATOM 0 HG3 PRO A 22 7.490 2.529 -20.850 1.00 0.00 H new ATOM 0 HD2 PRO A 22 9.085 0.503 -19.976 1.00 0.00 H new ATOM 0 HD3 PRO A 22 9.470 1.410 -21.425 1.00 0.00 H new ATOM 366 N ASP A 23 9.746 4.682 -17.174 1.00 0.00 N ATOM 367 CA ASP A 23 9.631 4.888 -15.734 1.00 0.00 C ATOM 368 C ASP A 23 8.201 4.640 -15.263 1.00 0.00 C ATOM 369 O ASP A 23 7.972 4.295 -14.104 1.00 0.00 O ATOM 370 CB ASP A 23 10.064 6.308 -15.365 1.00 0.00 C ATOM 371 CG ASP A 23 11.285 6.761 -16.140 1.00 0.00 C ATOM 372 OD1 ASP A 23 12.403 6.323 -15.796 1.00 0.00 O ATOM 373 OD2 ASP A 23 11.123 7.553 -17.092 1.00 0.00 O ATOM 0 H ASP A 23 9.485 5.491 -17.738 1.00 0.00 H new ATOM 0 HA ASP A 23 10.288 4.175 -15.235 1.00 0.00 H new ATOM 0 HB2 ASP A 23 9.241 6.997 -15.555 1.00 0.00 H new ATOM 0 HB3 ASP A 23 10.278 6.354 -14.297 1.00 0.00 H new ATOM 378 N GLU A 24 7.245 4.820 -16.168 1.00 0.00 N ATOM 379 CA GLU A 24 5.838 4.617 -15.843 1.00 0.00 C ATOM 380 C GLU A 24 5.521 3.131 -15.701 1.00 0.00 C ATOM 381 O GLU A 24 4.805 2.722 -14.786 1.00 0.00 O ATOM 382 CB GLU A 24 4.948 5.239 -16.921 1.00 0.00 C ATOM 383 CG GLU A 24 5.228 4.714 -18.319 1.00 0.00 C ATOM 384 CD GLU A 24 5.098 5.787 -19.382 1.00 0.00 C ATOM 385 OE1 GLU A 24 6.114 6.099 -20.037 1.00 0.00 O ATOM 386 OE2 GLU A 24 3.980 6.316 -19.559 1.00 0.00 O ATOM 0 H GLU A 24 7.419 5.106 -17.132 1.00 0.00 H new ATOM 0 HA GLU A 24 5.638 5.106 -14.890 1.00 0.00 H new ATOM 0 HB2 GLU A 24 3.904 5.048 -16.673 1.00 0.00 H new ATOM 0 HB3 GLU A 24 5.085 6.320 -16.914 1.00 0.00 H new ATOM 0 HG2 GLU A 24 6.234 4.296 -18.351 1.00 0.00 H new ATOM 0 HG3 GLU A 24 4.538 3.901 -18.543 1.00 0.00 H new ATOM 393 N LEU A 25 6.058 2.328 -16.612 1.00 0.00 N ATOM 394 CA LEU A 25 5.834 0.887 -16.590 1.00 0.00 C ATOM 395 C LEU A 25 6.467 0.256 -15.355 1.00 0.00 C ATOM 396 O LEU A 25 5.850 -0.570 -14.680 1.00 0.00 O ATOM 397 CB LEU A 25 6.403 0.242 -17.856 1.00 0.00 C ATOM 398 CG LEU A 25 5.663 0.551 -19.158 1.00 0.00 C ATOM 399 CD1 LEU A 25 6.348 -0.126 -20.334 1.00 0.00 C ATOM 400 CD2 LEU A 25 4.209 0.115 -19.061 1.00 0.00 C ATOM 0 H LEU A 25 6.652 2.650 -17.376 1.00 0.00 H new ATOM 0 HA LEU A 25 4.759 0.712 -16.553 1.00 0.00 H new ATOM 0 HB2 LEU A 25 7.440 0.559 -17.967 1.00 0.00 H new ATOM 0 HB3 LEU A 25 6.414 -0.839 -17.715 1.00 0.00 H new ATOM 0 HG LEU A 25 5.688 1.628 -19.321 1.00 0.00 H new ATOM 0 HD11 LEU A 25 5.808 0.105 -21.252 1.00 0.00 H new ATOM 0 HD12 LEU A 25 7.373 0.236 -20.415 1.00 0.00 H new ATOM 0 HD13 LEU A 25 6.355 -1.205 -20.179 1.00 0.00 H new ATOM 0 HD21 LEU A 25 3.698 0.343 -19.996 1.00 0.00 H new ATOM 0 HD22 LEU A 25 4.163 -0.958 -18.874 1.00 0.00 H new ATOM 0 HD23 LEU A 25 3.723 0.647 -18.243 1.00 0.00 H new ATOM 412 N LEU A 26 7.702 0.650 -15.063 1.00 0.00 N ATOM 413 CA LEU A 26 8.419 0.125 -13.906 1.00 0.00 C ATOM 414 C LEU A 26 7.580 0.254 -12.639 1.00 0.00 C ATOM 415 O LEU A 26 7.613 -0.615 -11.768 1.00 0.00 O ATOM 416 CB LEU A 26 9.748 0.862 -13.728 1.00 0.00 C ATOM 417 CG LEU A 26 10.872 0.459 -14.683 1.00 0.00 C ATOM 418 CD1 LEU A 26 12.124 1.277 -14.409 1.00 0.00 C ATOM 419 CD2 LEU A 26 11.168 -1.029 -14.562 1.00 0.00 C ATOM 0 H LEU A 26 8.227 1.331 -15.611 1.00 0.00 H new ATOM 0 HA LEU A 26 8.617 -0.932 -14.082 1.00 0.00 H new ATOM 0 HB2 LEU A 26 9.566 1.931 -13.843 1.00 0.00 H new ATOM 0 HB3 LEU A 26 10.093 0.706 -12.706 1.00 0.00 H new ATOM 0 HG LEU A 26 10.546 0.662 -15.703 1.00 0.00 H new ATOM 0 HD11 LEU A 26 12.913 0.976 -15.098 1.00 0.00 H new ATOM 0 HD12 LEU A 26 11.905 2.336 -14.548 1.00 0.00 H new ATOM 0 HD13 LEU A 26 12.453 1.106 -13.384 1.00 0.00 H new ATOM 0 HD21 LEU A 26 11.970 -1.297 -15.249 1.00 0.00 H new ATOM 0 HD22 LEU A 26 11.473 -1.257 -13.541 1.00 0.00 H new ATOM 0 HD23 LEU A 26 10.273 -1.599 -14.809 1.00 0.00 H new ATOM 431 N LYS A 27 6.825 1.343 -12.545 1.00 0.00 N ATOM 432 CA LYS A 27 5.972 1.586 -11.387 1.00 0.00 C ATOM 433 C LYS A 27 4.884 0.522 -11.280 1.00 0.00 C ATOM 434 O LYS A 27 4.610 0.009 -10.195 1.00 0.00 O ATOM 435 CB LYS A 27 5.336 2.974 -11.478 1.00 0.00 C ATOM 436 CG LYS A 27 6.200 4.079 -10.894 1.00 0.00 C ATOM 437 CD LYS A 27 6.326 5.252 -11.852 1.00 0.00 C ATOM 438 CE LYS A 27 5.336 6.356 -11.514 1.00 0.00 C ATOM 439 NZ LYS A 27 6.024 7.617 -11.119 1.00 0.00 N ATOM 0 H LYS A 27 6.786 2.072 -13.257 1.00 0.00 H new ATOM 0 HA LYS A 27 6.593 1.536 -10.493 1.00 0.00 H new ATOM 0 HB2 LYS A 27 5.128 3.201 -12.524 1.00 0.00 H new ATOM 0 HB3 LYS A 27 4.378 2.960 -10.958 1.00 0.00 H new ATOM 0 HG2 LYS A 27 5.769 4.421 -9.953 1.00 0.00 H new ATOM 0 HG3 LYS A 27 7.191 3.686 -10.666 1.00 0.00 H new ATOM 0 HD2 LYS A 27 7.341 5.648 -11.813 1.00 0.00 H new ATOM 0 HD3 LYS A 27 6.156 4.909 -12.873 1.00 0.00 H new ATOM 0 HE2 LYS A 27 4.696 6.546 -12.376 1.00 0.00 H new ATOM 0 HE3 LYS A 27 4.688 6.026 -10.702 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 5.315 8.344 -10.897 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 6.615 7.442 -10.281 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 6.623 7.946 -11.903 1.00 0.00 H new ATOM 453 N GLN A 28 4.269 0.195 -12.412 1.00 0.00 N ATOM 454 CA GLN A 28 3.212 -0.808 -12.444 1.00 0.00 C ATOM 455 C GLN A 28 3.736 -2.166 -11.990 1.00 0.00 C ATOM 456 O GLN A 28 3.061 -2.890 -11.258 1.00 0.00 O ATOM 457 CB GLN A 28 2.628 -0.919 -13.854 1.00 0.00 C ATOM 458 CG GLN A 28 1.454 0.015 -14.101 1.00 0.00 C ATOM 459 CD GLN A 28 0.434 -0.571 -15.058 1.00 0.00 C ATOM 460 OE1 GLN A 28 -0.730 -0.759 -14.703 1.00 0.00 O ATOM 461 NE2 GLN A 28 0.866 -0.862 -16.279 1.00 0.00 N ATOM 0 H GLN A 28 4.485 0.610 -13.318 1.00 0.00 H new ATOM 0 HA GLN A 28 2.427 -0.494 -11.756 1.00 0.00 H new ATOM 0 HB2 GLN A 28 3.411 -0.705 -14.581 1.00 0.00 H new ATOM 0 HB3 GLN A 28 2.307 -1.946 -14.025 1.00 0.00 H new ATOM 0 HG2 GLN A 28 0.968 0.241 -13.152 1.00 0.00 H new ATOM 0 HG3 GLN A 28 1.823 0.959 -14.503 1.00 0.00 H new ATOM 0 HE21 GLN A 28 1.839 -0.690 -16.530 1.00 0.00 H new ATOM 0 HE22 GLN A 28 0.224 -1.258 -16.966 1.00 0.00 H new ATOM 470 N ASP A 29 4.943 -2.506 -12.429 1.00 0.00 N ATOM 471 CA ASP A 29 5.558 -3.778 -12.067 1.00 0.00 C ATOM 472 C ASP A 29 5.838 -3.839 -10.569 1.00 0.00 C ATOM 473 O ASP A 29 5.494 -4.815 -9.902 1.00 0.00 O ATOM 474 CB ASP A 29 6.856 -3.982 -12.850 1.00 0.00 C ATOM 475 CG ASP A 29 7.748 -5.038 -12.227 1.00 0.00 C ATOM 476 OD1 ASP A 29 7.233 -6.123 -11.885 1.00 0.00 O ATOM 477 OD2 ASP A 29 8.961 -4.779 -12.083 1.00 0.00 O ATOM 0 H ASP A 29 5.515 -1.919 -13.036 1.00 0.00 H new ATOM 0 HA ASP A 29 4.861 -4.576 -12.321 1.00 0.00 H new ATOM 0 HB2 ASP A 29 6.618 -4.270 -13.874 1.00 0.00 H new ATOM 0 HB3 ASP A 29 7.398 -3.038 -12.902 1.00 0.00 H new ATOM 482 N ILE A 30 6.465 -2.790 -10.046 1.00 0.00 N ATOM 483 CA ILE A 30 6.792 -2.725 -8.627 1.00 0.00 C ATOM 484 C ILE A 30 5.548 -2.920 -7.767 1.00 0.00 C ATOM 485 O ILE A 30 5.533 -3.748 -6.855 1.00 0.00 O ATOM 486 CB ILE A 30 7.449 -1.381 -8.262 1.00 0.00 C ATOM 487 CG1 ILE A 30 8.740 -1.186 -9.060 1.00 0.00 C ATOM 488 CG2 ILE A 30 7.729 -1.317 -6.768 1.00 0.00 C ATOM 489 CD1 ILE A 30 9.071 0.266 -9.327 1.00 0.00 C ATOM 0 H ILE A 30 6.756 -1.974 -10.584 1.00 0.00 H new ATOM 0 HA ILE A 30 7.498 -3.531 -8.428 1.00 0.00 H new ATOM 0 HB ILE A 30 6.761 -0.576 -8.518 1.00 0.00 H new ATOM 0 HG12 ILE A 30 9.566 -1.645 -8.517 1.00 0.00 H new ATOM 0 HG13 ILE A 30 8.653 -1.711 -10.011 1.00 0.00 H new ATOM 0 HG21 ILE A 30 8.193 -0.361 -6.525 1.00 0.00 H new ATOM 0 HG22 ILE A 30 6.793 -1.416 -6.218 1.00 0.00 H new ATOM 0 HG23 ILE A 30 8.401 -2.128 -6.489 1.00 0.00 H new ATOM 0 HD11 ILE A 30 9.998 0.329 -9.897 1.00 0.00 H new ATOM 0 HD12 ILE A 30 8.263 0.724 -9.897 1.00 0.00 H new ATOM 0 HD13 ILE A 30 9.191 0.792 -8.380 1.00 0.00 H new ATOM 501 N LEU A 31 4.504 -2.154 -8.065 1.00 0.00 N ATOM 502 CA LEU A 31 3.252 -2.244 -7.321 1.00 0.00 C ATOM 503 C LEU A 31 2.620 -3.623 -7.482 1.00 0.00 C ATOM 504 O LEU A 31 1.911 -4.098 -6.596 1.00 0.00 O ATOM 505 CB LEU A 31 2.277 -1.164 -7.793 1.00 0.00 C ATOM 506 CG LEU A 31 2.716 0.283 -7.568 1.00 0.00 C ATOM 507 CD1 LEU A 31 1.595 1.244 -7.931 1.00 0.00 C ATOM 508 CD2 LEU A 31 3.152 0.490 -6.125 1.00 0.00 C ATOM 0 H LEU A 31 4.500 -1.464 -8.816 1.00 0.00 H new ATOM 0 HA LEU A 31 3.473 -2.088 -6.265 1.00 0.00 H new ATOM 0 HB2 LEU A 31 2.097 -1.306 -8.859 1.00 0.00 H new ATOM 0 HB3 LEU A 31 1.324 -1.316 -7.286 1.00 0.00 H new ATOM 0 HG LEU A 31 3.567 0.489 -8.217 1.00 0.00 H new ATOM 0 HD11 LEU A 31 1.926 2.269 -7.764 1.00 0.00 H new ATOM 0 HD12 LEU A 31 1.330 1.114 -8.980 1.00 0.00 H new ATOM 0 HD13 LEU A 31 0.724 1.038 -7.309 1.00 0.00 H new ATOM 0 HD21 LEU A 31 3.461 1.526 -5.983 1.00 0.00 H new ATOM 0 HD22 LEU A 31 2.320 0.265 -5.458 1.00 0.00 H new ATOM 0 HD23 LEU A 31 3.988 -0.172 -5.899 1.00 0.00 H new ATOM 520 N GLU A 32 2.885 -4.260 -8.618 1.00 0.00 N ATOM 521 CA GLU A 32 2.343 -5.585 -8.894 1.00 0.00 C ATOM 522 C GLU A 32 3.153 -6.664 -8.181 1.00 0.00 C ATOM 523 O GLU A 32 2.647 -7.748 -7.894 1.00 0.00 O ATOM 524 CB GLU A 32 2.331 -5.852 -10.401 1.00 0.00 C ATOM 525 CG GLU A 32 0.958 -5.702 -11.034 1.00 0.00 C ATOM 526 CD GLU A 32 0.957 -4.732 -12.200 1.00 0.00 C ATOM 527 OE1 GLU A 32 1.930 -4.745 -12.983 1.00 0.00 O ATOM 528 OE2 GLU A 32 -0.017 -3.961 -12.330 1.00 0.00 O ATOM 0 H GLU A 32 3.471 -3.880 -9.361 1.00 0.00 H new ATOM 0 HA GLU A 32 1.320 -5.616 -8.519 1.00 0.00 H new ATOM 0 HB2 GLU A 32 3.024 -5.166 -10.889 1.00 0.00 H new ATOM 0 HB3 GLU A 32 2.699 -6.861 -10.586 1.00 0.00 H new ATOM 0 HG2 GLU A 32 0.611 -6.677 -11.377 1.00 0.00 H new ATOM 0 HG3 GLU A 32 0.250 -5.359 -10.280 1.00 0.00 H new ATOM 535 N ALA A 33 4.416 -6.358 -7.900 1.00 0.00 N ATOM 536 CA ALA A 33 5.297 -7.300 -7.220 1.00 0.00 C ATOM 537 C ALA A 33 4.997 -7.351 -5.726 1.00 0.00 C ATOM 538 O ALA A 33 4.916 -8.428 -5.135 1.00 0.00 O ATOM 539 CB ALA A 33 6.752 -6.925 -7.457 1.00 0.00 C ATOM 0 H ALA A 33 4.852 -5.466 -8.133 1.00 0.00 H new ATOM 0 HA ALA A 33 5.117 -8.293 -7.633 1.00 0.00 H new ATOM 0 HB1 ALA A 33 7.399 -7.636 -6.944 1.00 0.00 H new ATOM 0 HB2 ALA A 33 6.964 -6.947 -8.526 1.00 0.00 H new ATOM 0 HB3 ALA A 33 6.937 -5.922 -7.071 1.00 0.00 H new ATOM 545 N THR A 34 4.835 -6.179 -5.119 1.00 0.00 N ATOM 546 CA THR A 34 4.547 -6.091 -3.693 1.00 0.00 C ATOM 547 C THR A 34 3.294 -6.881 -3.335 1.00 0.00 C ATOM 548 O THR A 34 3.109 -7.283 -2.187 1.00 0.00 O ATOM 549 CB THR A 34 4.362 -4.628 -3.247 1.00 0.00 C ATOM 550 OG1 THR A 34 4.405 -4.542 -1.819 1.00 0.00 O ATOM 551 CG2 THR A 34 3.040 -4.071 -3.754 1.00 0.00 C ATOM 0 H THR A 34 4.898 -5.278 -5.593 1.00 0.00 H new ATOM 0 HA THR A 34 5.403 -6.517 -3.171 1.00 0.00 H new ATOM 0 HB THR A 34 5.174 -4.037 -3.671 1.00 0.00 H new ATOM 0 HG1 THR A 34 3.983 -3.706 -1.529 1.00 0.00 H new ATOM 0 HG21 THR A 34 2.931 -3.037 -3.427 1.00 0.00 H new ATOM 0 HG22 THR A 34 3.022 -4.111 -4.843 1.00 0.00 H new ATOM 0 HG23 THR A 34 2.218 -4.666 -3.356 1.00 0.00 H new ATOM 559 N ALA A 35 2.436 -7.102 -4.326 1.00 0.00 N ATOM 560 CA ALA A 35 1.201 -7.848 -4.116 1.00 0.00 C ATOM 561 C ALA A 35 1.492 -9.303 -3.764 1.00 0.00 C ATOM 562 O ALA A 35 0.715 -9.949 -3.061 1.00 0.00 O ATOM 563 CB ALA A 35 0.319 -7.768 -5.352 1.00 0.00 C ATOM 0 H ALA A 35 2.574 -6.775 -5.282 1.00 0.00 H new ATOM 0 HA ALA A 35 0.672 -7.397 -3.276 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -0.599 -8.330 -5.181 1.00 0.00 H new ATOM 0 HB2 ALA A 35 0.074 -6.726 -5.557 1.00 0.00 H new ATOM 0 HB3 ALA A 35 0.849 -8.191 -6.205 1.00 0.00 H new ATOM 569 N ASP A 36 2.614 -9.813 -4.259 1.00 0.00 N ATOM 570 CA ASP A 36 3.008 -11.193 -3.997 1.00 0.00 C ATOM 571 C ASP A 36 3.563 -11.341 -2.584 1.00 0.00 C ATOM 572 O ASP A 36 3.156 -12.230 -1.836 1.00 0.00 O ATOM 573 CB ASP A 36 4.050 -11.652 -5.019 1.00 0.00 C ATOM 574 CG ASP A 36 4.072 -13.158 -5.186 1.00 0.00 C ATOM 575 OD1 ASP A 36 5.116 -13.692 -5.616 1.00 0.00 O ATOM 576 OD2 ASP A 36 3.046 -13.803 -4.887 1.00 0.00 O ATOM 0 H ASP A 36 3.267 -9.292 -4.844 1.00 0.00 H new ATOM 0 HA ASP A 36 2.122 -11.821 -4.087 1.00 0.00 H new ATOM 0 HB2 ASP A 36 3.841 -11.186 -5.982 1.00 0.00 H new ATOM 0 HB3 ASP A 36 5.037 -11.309 -4.707 1.00 0.00 H new ATOM 581 N ILE A 37 4.495 -10.464 -2.226 1.00 0.00 N ATOM 582 CA ILE A 37 5.106 -10.497 -0.903 1.00 0.00 C ATOM 583 C ILE A 37 4.051 -10.385 0.193 1.00 0.00 C ATOM 584 O ILE A 37 4.082 -11.125 1.176 1.00 0.00 O ATOM 585 CB ILE A 37 6.134 -9.363 -0.729 1.00 0.00 C ATOM 586 CG1 ILE A 37 7.171 -9.409 -1.852 1.00 0.00 C ATOM 587 CG2 ILE A 37 6.811 -9.467 0.630 1.00 0.00 C ATOM 588 CD1 ILE A 37 8.218 -8.322 -1.753 1.00 0.00 C ATOM 0 H ILE A 37 4.843 -9.722 -2.833 1.00 0.00 H new ATOM 0 HA ILE A 37 5.617 -11.456 -0.815 1.00 0.00 H new ATOM 0 HB ILE A 37 5.612 -8.407 -0.781 1.00 0.00 H new ATOM 0 HG12 ILE A 37 7.665 -10.380 -1.839 1.00 0.00 H new ATOM 0 HG13 ILE A 37 6.660 -9.324 -2.811 1.00 0.00 H new ATOM 0 HG21 ILE A 37 7.535 -8.659 0.739 1.00 0.00 H new ATOM 0 HG22 ILE A 37 6.061 -9.390 1.417 1.00 0.00 H new ATOM 0 HG23 ILE A 37 7.323 -10.426 0.709 1.00 0.00 H new ATOM 0 HD11 ILE A 37 8.920 -8.416 -2.582 1.00 0.00 H new ATOM 0 HD12 ILE A 37 7.734 -7.346 -1.796 1.00 0.00 H new ATOM 0 HD13 ILE A 37 8.755 -8.419 -0.810 1.00 0.00 H new ATOM 600 N ILE A 38 3.118 -9.456 0.015 1.00 0.00 N ATOM 601 CA ILE A 38 2.052 -9.248 0.987 1.00 0.00 C ATOM 602 C ILE A 38 1.105 -10.443 1.027 1.00 0.00 C ATOM 603 O ILE A 38 0.583 -10.800 2.084 1.00 0.00 O ATOM 604 CB ILE A 38 1.243 -7.976 0.672 1.00 0.00 C ATOM 605 CG1 ILE A 38 2.153 -6.747 0.696 1.00 0.00 C ATOM 606 CG2 ILE A 38 0.101 -7.816 1.665 1.00 0.00 C ATOM 607 CD1 ILE A 38 1.487 -5.491 0.179 1.00 0.00 C ATOM 0 H ILE A 38 3.079 -8.835 -0.793 1.00 0.00 H new ATOM 0 HA ILE A 38 2.530 -9.133 1.960 1.00 0.00 H new ATOM 0 HB ILE A 38 0.819 -8.071 -0.328 1.00 0.00 H new ATOM 0 HG12 ILE A 38 2.491 -6.575 1.718 1.00 0.00 H new ATOM 0 HG13 ILE A 38 3.041 -6.951 0.097 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -0.462 -6.913 1.430 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -0.559 -8.681 1.603 1.00 0.00 H new ATOM 0 HG23 ILE A 38 0.505 -7.739 2.675 1.00 0.00 H new ATOM 0 HD11 ILE A 38 2.191 -4.660 0.225 1.00 0.00 H new ATOM 0 HD12 ILE A 38 1.174 -5.644 -0.854 1.00 0.00 H new ATOM 0 HD13 ILE A 38 0.615 -5.263 0.792 1.00 0.00 H new ATOM 619 N LEU A 39 0.889 -11.059 -0.130 1.00 0.00 N ATOM 620 CA LEU A 39 0.006 -12.216 -0.228 1.00 0.00 C ATOM 621 C LEU A 39 0.583 -13.407 0.530 1.00 0.00 C ATOM 622 O LEU A 39 -0.147 -14.311 0.936 1.00 0.00 O ATOM 623 CB LEU A 39 -0.217 -12.589 -1.695 1.00 0.00 C ATOM 624 CG LEU A 39 -1.573 -12.203 -2.287 1.00 0.00 C ATOM 625 CD1 LEU A 39 -1.574 -12.406 -3.794 1.00 0.00 C ATOM 626 CD2 LEU A 39 -2.688 -13.009 -1.637 1.00 0.00 C ATOM 0 H LEU A 39 1.313 -10.777 -1.014 1.00 0.00 H new ATOM 0 HA LEU A 39 -0.951 -11.952 0.223 1.00 0.00 H new ATOM 0 HB2 LEU A 39 0.565 -12.119 -2.292 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -0.092 -13.667 -1.798 1.00 0.00 H new ATOM 0 HG LEU A 39 -1.750 -11.147 -2.083 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -2.547 -12.126 -4.198 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -0.801 -11.784 -4.245 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -1.375 -13.453 -4.020 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -3.646 -12.721 -2.071 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -2.517 -14.072 -1.809 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -2.702 -12.813 -0.565 1.00 0.00 H new ATOM 638 N LYS A 40 1.898 -13.401 0.718 1.00 0.00 N ATOM 639 CA LYS A 40 2.575 -14.478 1.431 1.00 0.00 C ATOM 640 C LYS A 40 2.494 -14.268 2.939 1.00 0.00 C ATOM 641 O LYS A 40 2.172 -15.190 3.688 1.00 0.00 O ATOM 642 CB LYS A 40 4.039 -14.565 0.995 1.00 0.00 C ATOM 643 CG LYS A 40 4.285 -15.574 -0.114 1.00 0.00 C ATOM 644 CD LYS A 40 5.442 -15.152 -1.005 1.00 0.00 C ATOM 645 CE LYS A 40 5.671 -16.150 -2.129 1.00 0.00 C ATOM 646 NZ LYS A 40 4.522 -16.193 -3.076 1.00 0.00 N ATOM 0 H LYS A 40 2.517 -12.661 0.386 1.00 0.00 H new ATOM 0 HA LYS A 40 2.073 -15.414 1.185 1.00 0.00 H new ATOM 0 HB2 LYS A 40 4.368 -13.582 0.660 1.00 0.00 H new ATOM 0 HB3 LYS A 40 4.651 -14.829 1.857 1.00 0.00 H new ATOM 0 HG2 LYS A 40 4.497 -16.550 0.322 1.00 0.00 H new ATOM 0 HG3 LYS A 40 3.382 -15.683 -0.715 1.00 0.00 H new ATOM 0 HD2 LYS A 40 5.238 -14.168 -1.427 1.00 0.00 H new ATOM 0 HD3 LYS A 40 6.349 -15.061 -0.407 1.00 0.00 H new ATOM 0 HE2 LYS A 40 6.579 -15.884 -2.671 1.00 0.00 H new ATOM 0 HE3 LYS A 40 5.831 -17.142 -1.707 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 4.794 -16.724 -3.928 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 3.713 -16.661 -2.620 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 4.255 -15.224 -3.343 1.00 0.00 H new ATOM 660 N VAL A 41 2.788 -13.048 3.379 1.00 0.00 N ATOM 661 CA VAL A 41 2.747 -12.717 4.798 1.00 0.00 C ATOM 662 C VAL A 41 1.309 -12.626 5.299 1.00 0.00 C ATOM 663 O VAL A 41 1.039 -12.833 6.481 1.00 0.00 O ATOM 664 CB VAL A 41 3.464 -11.384 5.084 1.00 0.00 C ATOM 665 CG1 VAL A 41 4.908 -11.442 4.610 1.00 0.00 C ATOM 666 CG2 VAL A 41 2.724 -10.229 4.427 1.00 0.00 C ATOM 0 H VAL A 41 3.057 -12.273 2.773 1.00 0.00 H new ATOM 0 HA VAL A 41 3.263 -13.519 5.326 1.00 0.00 H new ATOM 0 HB VAL A 41 3.467 -11.217 6.161 1.00 0.00 H new ATOM 0 HG11 VAL A 41 5.398 -10.492 4.820 1.00 0.00 H new ATOM 0 HG12 VAL A 41 5.430 -12.243 5.132 1.00 0.00 H new ATOM 0 HG13 VAL A 41 4.931 -11.633 3.537 1.00 0.00 H new ATOM 0 HG21 VAL A 41 3.245 -9.295 4.640 1.00 0.00 H new ATOM 0 HG22 VAL A 41 2.687 -10.387 3.349 1.00 0.00 H new ATOM 0 HG23 VAL A 41 1.709 -10.176 4.821 1.00 0.00 H new ATOM 676 N GLY A 42 0.390 -12.314 4.390 1.00 0.00 N ATOM 677 CA GLY A 42 -1.009 -12.202 4.758 1.00 0.00 C ATOM 678 C GLY A 42 -1.325 -10.885 5.440 1.00 0.00 C ATOM 679 O GLY A 42 -2.178 -10.825 6.326 1.00 0.00 O ATOM 0 H GLY A 42 0.590 -12.137 3.406 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -1.626 -12.302 3.865 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -1.274 -13.025 5.422 1.00 0.00 H new ATOM 683 N HIS A 43 -0.634 -9.827 5.028 1.00 0.00 N ATOM 684 CA HIS A 43 -0.845 -8.504 5.606 1.00 0.00 C ATOM 685 C HIS A 43 -0.023 -7.451 4.868 1.00 0.00 C ATOM 686 O HIS A 43 1.083 -7.727 4.403 1.00 0.00 O ATOM 687 CB HIS A 43 -0.475 -8.508 7.090 1.00 0.00 C ATOM 688 CG HIS A 43 0.986 -8.713 7.342 1.00 0.00 C ATOM 689 ND1 HIS A 43 1.933 -7.735 7.122 1.00 0.00 N ATOM 690 CD2 HIS A 43 1.662 -9.793 7.801 1.00 0.00 C ATOM 691 CE1 HIS A 43 3.128 -8.205 7.433 1.00 0.00 C ATOM 692 NE2 HIS A 43 2.992 -9.451 7.848 1.00 0.00 N ATOM 0 H HIS A 43 0.076 -9.860 4.297 1.00 0.00 H new ATOM 0 HA HIS A 43 -1.901 -8.254 5.503 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -0.783 -7.562 7.535 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -1.036 -9.295 7.594 1.00 0.00 H new ATOM 0 HD2 HIS A 43 1.235 -10.746 8.078 1.00 0.00 H new ATOM 0 HE1 HIS A 43 4.059 -7.662 7.360 1.00 0.00 H new ATOM 0 HE2 HIS A 43 3.751 -10.060 8.154 1.00 0.00 H new ATOM 700 N ASP A 44 -0.572 -6.246 4.764 1.00 0.00 N ATOM 701 CA ASP A 44 0.110 -5.152 4.082 1.00 0.00 C ATOM 702 C ASP A 44 0.617 -4.119 5.084 1.00 0.00 C ATOM 703 O ASP A 44 0.599 -4.351 6.293 1.00 0.00 O ATOM 704 CB ASP A 44 -0.828 -4.486 3.075 1.00 0.00 C ATOM 705 CG ASP A 44 -1.899 -3.649 3.747 1.00 0.00 C ATOM 706 OD1 ASP A 44 -1.764 -2.407 3.754 1.00 0.00 O ATOM 707 OD2 ASP A 44 -2.872 -4.235 4.264 1.00 0.00 O ATOM 0 H ASP A 44 -1.487 -6.002 5.143 1.00 0.00 H new ATOM 0 HA ASP A 44 0.966 -5.566 3.550 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -0.246 -3.855 2.403 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -1.302 -5.253 2.462 1.00 0.00 H new ATOM 712 N PHE A 45 1.068 -2.978 4.573 1.00 0.00 N ATOM 713 CA PHE A 45 1.581 -1.910 5.423 1.00 0.00 C ATOM 714 C PHE A 45 0.959 -0.569 5.046 1.00 0.00 C ATOM 715 O PHE A 45 1.662 0.370 4.671 1.00 0.00 O ATOM 716 CB PHE A 45 3.105 -1.828 5.311 1.00 0.00 C ATOM 717 CG PHE A 45 3.784 -3.167 5.369 1.00 0.00 C ATOM 718 CD1 PHE A 45 3.941 -3.827 6.577 1.00 0.00 C ATOM 719 CD2 PHE A 45 4.265 -3.765 4.215 1.00 0.00 C ATOM 720 CE1 PHE A 45 4.564 -5.059 6.633 1.00 0.00 C ATOM 721 CE2 PHE A 45 4.889 -4.997 4.266 1.00 0.00 C ATOM 722 CZ PHE A 45 5.040 -5.644 5.476 1.00 0.00 C ATOM 0 H PHE A 45 1.089 -2.769 3.575 1.00 0.00 H new ATOM 0 HA PHE A 45 1.311 -2.139 6.454 1.00 0.00 H new ATOM 0 HB2 PHE A 45 3.366 -1.337 4.373 1.00 0.00 H new ATOM 0 HB3 PHE A 45 3.487 -1.201 6.116 1.00 0.00 H new ATOM 0 HD1 PHE A 45 3.572 -3.373 7.485 1.00 0.00 H new ATOM 0 HD2 PHE A 45 4.151 -3.263 3.266 1.00 0.00 H new ATOM 0 HE1 PHE A 45 4.679 -5.564 7.581 1.00 0.00 H new ATOM 0 HE2 PHE A 45 5.258 -5.453 3.360 1.00 0.00 H new ATOM 0 HZ PHE A 45 5.529 -6.606 5.518 1.00 0.00 H new ATOM 732 N SER A 46 -0.363 -0.487 5.149 1.00 0.00 N ATOM 733 CA SER A 46 -1.082 0.737 4.816 1.00 0.00 C ATOM 734 C SER A 46 -1.027 1.732 5.971 1.00 0.00 C ATOM 735 O SER A 46 -0.806 2.926 5.768 1.00 0.00 O ATOM 736 CB SER A 46 -2.538 0.421 4.469 1.00 0.00 C ATOM 737 OG SER A 46 -3.165 -0.303 5.514 1.00 0.00 O ATOM 0 H SER A 46 -0.959 -1.254 5.461 1.00 0.00 H new ATOM 0 HA SER A 46 -0.599 1.187 3.949 1.00 0.00 H new ATOM 0 HB2 SER A 46 -3.082 1.348 4.288 1.00 0.00 H new ATOM 0 HB3 SER A 46 -2.578 -0.158 3.546 1.00 0.00 H new ATOM 0 HG SER A 46 -2.964 -1.257 5.417 1.00 0.00 H new ATOM 743 N ASP A 47 -1.229 1.230 7.185 1.00 0.00 N ATOM 744 CA ASP A 47 -1.202 2.073 8.375 1.00 0.00 C ATOM 745 C ASP A 47 0.075 2.906 8.421 1.00 0.00 C ATOM 746 O ASP A 47 1.175 2.368 8.540 1.00 0.00 O ATOM 747 CB ASP A 47 -1.313 1.215 9.636 1.00 0.00 C ATOM 748 CG ASP A 47 -2.710 1.230 10.225 1.00 0.00 C ATOM 749 OD1 ASP A 47 -3.083 2.249 10.843 1.00 0.00 O ATOM 750 OD2 ASP A 47 -3.430 0.222 10.068 1.00 0.00 O ATOM 0 H ASP A 47 -1.413 0.244 7.371 1.00 0.00 H new ATOM 0 HA ASP A 47 -2.055 2.751 8.331 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -1.033 0.189 9.399 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -0.604 1.576 10.381 1.00 0.00 H new ATOM 755 N ALA A 48 -0.080 4.223 8.326 1.00 0.00 N ATOM 756 CA ALA A 48 1.061 5.130 8.358 1.00 0.00 C ATOM 757 C ALA A 48 1.865 4.955 9.642 1.00 0.00 C ATOM 758 O ALA A 48 3.046 5.297 9.696 1.00 0.00 O ATOM 759 CB ALA A 48 0.593 6.571 8.218 1.00 0.00 C ATOM 0 H ALA A 48 -0.984 4.685 8.226 1.00 0.00 H new ATOM 0 HA ALA A 48 1.711 4.887 7.517 1.00 0.00 H new ATOM 0 HB1 ALA A 48 1.455 7.238 8.244 1.00 0.00 H new ATOM 0 HB2 ALA A 48 0.068 6.693 7.270 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -0.080 6.816 9.040 1.00 0.00 H new ATOM 765 N GLU A 49 1.217 4.422 10.673 1.00 0.00 N ATOM 766 CA GLU A 49 1.873 4.204 11.957 1.00 0.00 C ATOM 767 C GLU A 49 2.400 2.776 12.063 1.00 0.00 C ATOM 768 O GLU A 49 2.562 2.243 13.161 1.00 0.00 O ATOM 769 CB GLU A 49 0.902 4.488 13.106 1.00 0.00 C ATOM 770 CG GLU A 49 -0.418 3.746 12.984 1.00 0.00 C ATOM 771 CD GLU A 49 -1.524 4.614 12.415 1.00 0.00 C ATOM 772 OE1 GLU A 49 -2.443 4.978 13.177 1.00 0.00 O ATOM 773 OE2 GLU A 49 -1.471 4.928 11.207 1.00 0.00 O ATOM 0 H GLU A 49 0.239 4.133 10.644 1.00 0.00 H new ATOM 0 HA GLU A 49 2.717 4.890 12.026 1.00 0.00 H new ATOM 0 HB2 GLU A 49 1.377 4.215 14.048 1.00 0.00 H new ATOM 0 HB3 GLU A 49 0.705 5.559 13.148 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -0.282 2.873 12.346 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -0.717 3.380 13.966 1.00 0.00 H new ATOM 780 N TYR A 50 2.666 2.164 10.915 1.00 0.00 N ATOM 781 CA TYR A 50 3.172 0.797 10.877 1.00 0.00 C ATOM 782 C TYR A 50 3.624 0.422 9.469 1.00 0.00 C ATOM 783 O TYR A 50 3.111 -0.526 8.873 1.00 0.00 O ATOM 784 CB TYR A 50 2.097 -0.180 11.357 1.00 0.00 C ATOM 785 CG TYR A 50 2.592 -1.602 11.499 1.00 0.00 C ATOM 786 CD1 TYR A 50 1.902 -2.660 10.919 1.00 0.00 C ATOM 787 CD2 TYR A 50 3.748 -1.889 12.214 1.00 0.00 C ATOM 788 CE1 TYR A 50 2.349 -3.960 11.046 1.00 0.00 C ATOM 789 CE2 TYR A 50 4.204 -3.186 12.345 1.00 0.00 C ATOM 790 CZ TYR A 50 3.501 -4.219 11.760 1.00 0.00 C ATOM 791 OH TYR A 50 3.951 -5.513 11.890 1.00 0.00 O ATOM 0 H TYR A 50 2.540 2.593 9.998 1.00 0.00 H new ATOM 0 HA TYR A 50 4.033 0.736 11.543 1.00 0.00 H new ATOM 0 HB2 TYR A 50 1.712 0.160 12.319 1.00 0.00 H new ATOM 0 HB3 TYR A 50 1.263 -0.163 10.656 1.00 0.00 H new ATOM 0 HD1 TYR A 50 1.000 -2.462 10.359 1.00 0.00 H new ATOM 0 HD2 TYR A 50 4.300 -1.084 12.676 1.00 0.00 H new ATOM 0 HE1 TYR A 50 1.800 -4.770 10.589 1.00 0.00 H new ATOM 0 HE2 TYR A 50 5.106 -3.391 12.902 1.00 0.00 H new ATOM 0 HH TYR A 50 4.775 -5.521 12.421 1.00 0.00 H new ATOM 801 N ILE A 51 4.588 1.171 8.945 1.00 0.00 N ATOM 802 CA ILE A 51 5.111 0.917 7.609 1.00 0.00 C ATOM 803 C ILE A 51 6.573 0.486 7.663 1.00 0.00 C ATOM 804 O ILE A 51 7.478 1.225 7.276 1.00 0.00 O ATOM 805 CB ILE A 51 4.988 2.161 6.710 1.00 0.00 C ATOM 806 CG1 ILE A 51 3.539 2.652 6.677 1.00 0.00 C ATOM 807 CG2 ILE A 51 5.480 1.850 5.304 1.00 0.00 C ATOM 808 CD1 ILE A 51 3.330 3.861 5.793 1.00 0.00 C ATOM 0 H ILE A 51 5.023 1.959 9.426 1.00 0.00 H new ATOM 0 HA ILE A 51 4.512 0.111 7.185 1.00 0.00 H new ATOM 0 HB ILE A 51 5.611 2.953 7.125 1.00 0.00 H new ATOM 0 HG12 ILE A 51 2.898 1.842 6.329 1.00 0.00 H new ATOM 0 HG13 ILE A 51 3.223 2.895 7.692 1.00 0.00 H new ATOM 0 HG21 ILE A 51 5.387 2.739 4.681 1.00 0.00 H new ATOM 0 HG22 ILE A 51 6.525 1.543 5.344 1.00 0.00 H new ATOM 0 HG23 ILE A 51 4.881 1.045 4.879 1.00 0.00 H new ATOM 0 HD11 ILE A 51 2.280 4.153 5.818 1.00 0.00 H new ATOM 0 HD12 ILE A 51 3.945 4.686 6.153 1.00 0.00 H new ATOM 0 HD13 ILE A 51 3.614 3.617 4.769 1.00 0.00 H new ATOM 820 N PRO A 52 6.811 -0.739 8.154 1.00 0.00 N ATOM 821 CA PRO A 52 8.161 -1.298 8.269 1.00 0.00 C ATOM 822 C PRO A 52 8.774 -1.616 6.909 1.00 0.00 C ATOM 823 O PRO A 52 8.112 -2.175 6.034 1.00 0.00 O ATOM 824 CB PRO A 52 7.947 -2.583 9.073 1.00 0.00 C ATOM 825 CG PRO A 52 6.532 -2.965 8.805 1.00 0.00 C ATOM 826 CD PRO A 52 5.779 -1.675 8.634 1.00 0.00 C ATOM 0 HA PRO A 52 8.853 -0.598 8.736 1.00 0.00 H new ATOM 0 HB2 PRO A 52 8.635 -3.367 8.757 1.00 0.00 H new ATOM 0 HB3 PRO A 52 8.118 -2.418 10.137 1.00 0.00 H new ATOM 0 HG2 PRO A 52 6.457 -3.582 7.909 1.00 0.00 H new ATOM 0 HG3 PRO A 52 6.123 -3.549 9.629 1.00 0.00 H new ATOM 0 HD2 PRO A 52 4.964 -1.777 7.917 1.00 0.00 H new ATOM 0 HD3 PRO A 52 5.338 -1.340 9.573 1.00 0.00 H new ATOM 834 N LEU A 53 10.042 -1.258 6.739 1.00 0.00 N ATOM 835 CA LEU A 53 10.745 -1.506 5.485 1.00 0.00 C ATOM 836 C LEU A 53 12.221 -1.797 5.737 1.00 0.00 C ATOM 837 O LEU A 53 13.090 -0.947 5.535 1.00 0.00 O ATOM 838 CB LEU A 53 10.602 -0.304 4.551 1.00 0.00 C ATOM 839 CG LEU A 53 10.684 -0.604 3.053 1.00 0.00 C ATOM 840 CD1 LEU A 53 9.626 -1.621 2.654 1.00 0.00 C ATOM 841 CD2 LEU A 53 10.529 0.676 2.244 1.00 0.00 C ATOM 0 H LEU A 53 10.604 -0.795 7.453 1.00 0.00 H new ATOM 0 HA LEU A 53 10.297 -2.380 5.012 1.00 0.00 H new ATOM 0 HB2 LEU A 53 9.644 0.176 4.753 1.00 0.00 H new ATOM 0 HB3 LEU A 53 11.379 0.418 4.800 1.00 0.00 H new ATOM 0 HG LEU A 53 11.665 -1.028 2.839 1.00 0.00 H new ATOM 0 HD11 LEU A 53 9.699 -1.822 1.585 1.00 0.00 H new ATOM 0 HD12 LEU A 53 9.783 -2.546 3.209 1.00 0.00 H new ATOM 0 HD13 LEU A 53 8.636 -1.225 2.882 1.00 0.00 H new ATOM 0 HD21 LEU A 53 10.590 0.444 1.181 1.00 0.00 H new ATOM 0 HD22 LEU A 53 9.562 1.129 2.462 1.00 0.00 H new ATOM 0 HD23 LEU A 53 11.324 1.373 2.509 1.00 0.00 H new ATOM 853 N PRO A 54 12.515 -3.026 6.187 1.00 0.00 N ATOM 854 CA PRO A 54 13.886 -3.457 6.473 1.00 0.00 C ATOM 855 C PRO A 54 14.720 -3.615 5.207 1.00 0.00 C ATOM 856 O PRO A 54 14.304 -3.206 4.124 1.00 0.00 O ATOM 857 CB PRO A 54 13.695 -4.812 7.160 1.00 0.00 C ATOM 858 CG PRO A 54 12.383 -5.309 6.660 1.00 0.00 C ATOM 859 CD PRO A 54 11.530 -4.089 6.450 1.00 0.00 C ATOM 0 HA PRO A 54 14.425 -2.728 7.079 1.00 0.00 H new ATOM 0 HB2 PRO A 54 14.501 -5.501 6.908 1.00 0.00 H new ATOM 0 HB3 PRO A 54 13.692 -4.709 8.245 1.00 0.00 H new ATOM 0 HG2 PRO A 54 12.505 -5.864 5.730 1.00 0.00 H new ATOM 0 HG3 PRO A 54 11.923 -5.987 7.379 1.00 0.00 H new ATOM 0 HD2 PRO A 54 10.844 -4.217 5.613 1.00 0.00 H new ATOM 0 HD3 PRO A 54 10.923 -3.867 7.328 1.00 0.00 H new ATOM 867 N GLU A 55 15.900 -4.212 5.351 1.00 0.00 N ATOM 868 CA GLU A 55 16.792 -4.423 4.217 1.00 0.00 C ATOM 869 C GLU A 55 16.451 -5.721 3.491 1.00 0.00 C ATOM 870 O GLU A 55 16.775 -5.892 2.315 1.00 0.00 O ATOM 871 CB GLU A 55 18.248 -4.455 4.685 1.00 0.00 C ATOM 872 CG GLU A 55 19.230 -4.841 3.591 1.00 0.00 C ATOM 873 CD GLU A 55 20.666 -4.514 3.955 1.00 0.00 C ATOM 874 OE1 GLU A 55 20.908 -3.404 4.474 1.00 0.00 O ATOM 875 OE2 GLU A 55 21.547 -5.368 3.721 1.00 0.00 O ATOM 0 H GLU A 55 16.259 -4.557 6.241 1.00 0.00 H new ATOM 0 HA GLU A 55 16.659 -3.593 3.523 1.00 0.00 H new ATOM 0 HB2 GLU A 55 18.518 -3.473 5.074 1.00 0.00 H new ATOM 0 HB3 GLU A 55 18.340 -5.161 5.510 1.00 0.00 H new ATOM 0 HG2 GLU A 55 19.144 -5.909 3.391 1.00 0.00 H new ATOM 0 HG3 GLU A 55 18.965 -4.322 2.670 1.00 0.00 H new ATOM 882 N THR A 56 15.794 -6.634 4.199 1.00 0.00 N ATOM 883 CA THR A 56 15.410 -7.917 3.624 1.00 0.00 C ATOM 884 C THR A 56 14.222 -7.763 2.682 1.00 0.00 C ATOM 885 O THR A 56 14.156 -8.414 1.639 1.00 0.00 O ATOM 886 CB THR A 56 15.053 -8.939 4.720 1.00 0.00 C ATOM 887 OG1 THR A 56 14.666 -10.182 4.123 1.00 0.00 O ATOM 888 CG2 THR A 56 13.924 -8.419 5.598 1.00 0.00 C ATOM 0 H THR A 56 15.517 -6.508 5.172 1.00 0.00 H new ATOM 0 HA THR A 56 16.270 -8.283 3.063 1.00 0.00 H new ATOM 0 HB THR A 56 15.934 -9.094 5.343 1.00 0.00 H new ATOM 0 HG1 THR A 56 13.937 -10.581 4.642 1.00 0.00 H new ATOM 0 HG21 THR A 56 13.689 -9.158 6.364 1.00 0.00 H new ATOM 0 HG22 THR A 56 14.232 -7.488 6.074 1.00 0.00 H new ATOM 0 HG23 THR A 56 13.041 -8.238 4.986 1.00 0.00 H new ATOM 896 N VAL A 57 13.285 -6.897 3.054 1.00 0.00 N ATOM 897 CA VAL A 57 12.100 -6.656 2.240 1.00 0.00 C ATOM 898 C VAL A 57 12.455 -5.910 0.959 1.00 0.00 C ATOM 899 O VAL A 57 12.056 -6.309 -0.135 1.00 0.00 O ATOM 900 CB VAL A 57 11.041 -5.849 3.015 1.00 0.00 C ATOM 901 CG1 VAL A 57 9.874 -5.489 2.108 1.00 0.00 C ATOM 902 CG2 VAL A 57 10.562 -6.628 4.230 1.00 0.00 C ATOM 0 H VAL A 57 13.324 -6.350 3.914 1.00 0.00 H new ATOM 0 HA VAL A 57 11.687 -7.632 1.985 1.00 0.00 H new ATOM 0 HB VAL A 57 11.498 -4.923 3.363 1.00 0.00 H new ATOM 0 HG11 VAL A 57 9.136 -4.919 2.673 1.00 0.00 H new ATOM 0 HG12 VAL A 57 10.234 -4.888 1.273 1.00 0.00 H new ATOM 0 HG13 VAL A 57 9.414 -6.401 1.727 1.00 0.00 H new ATOM 0 HG21 VAL A 57 9.814 -6.043 4.766 1.00 0.00 H new ATOM 0 HG22 VAL A 57 10.122 -7.571 3.907 1.00 0.00 H new ATOM 0 HG23 VAL A 57 11.406 -6.829 4.889 1.00 0.00 H new ATOM 912 N ARG A 58 13.208 -4.824 1.103 1.00 0.00 N ATOM 913 CA ARG A 58 13.617 -4.021 -0.043 1.00 0.00 C ATOM 914 C ARG A 58 14.282 -4.890 -1.107 1.00 0.00 C ATOM 915 O ARG A 58 14.124 -4.653 -2.305 1.00 0.00 O ATOM 916 CB ARG A 58 14.576 -2.914 0.399 1.00 0.00 C ATOM 917 CG ARG A 58 14.126 -1.520 -0.008 1.00 0.00 C ATOM 918 CD ARG A 58 15.002 -0.447 0.619 1.00 0.00 C ATOM 919 NE ARG A 58 14.385 0.138 1.806 1.00 0.00 N ATOM 920 CZ ARG A 58 15.055 0.844 2.710 1.00 0.00 C ATOM 921 NH1 ARG A 58 16.356 1.052 2.563 1.00 0.00 N ATOM 922 NH2 ARG A 58 14.423 1.345 3.764 1.00 0.00 N ATOM 0 H ARG A 58 13.547 -4.480 2.002 1.00 0.00 H new ATOM 0 HA ARG A 58 12.724 -3.568 -0.474 1.00 0.00 H new ATOM 0 HB2 ARG A 58 14.684 -2.950 1.483 1.00 0.00 H new ATOM 0 HB3 ARG A 58 15.561 -3.107 -0.026 1.00 0.00 H new ATOM 0 HG2 ARG A 58 14.158 -1.429 -1.094 1.00 0.00 H new ATOM 0 HG3 ARG A 58 13.090 -1.368 0.294 1.00 0.00 H new ATOM 0 HD2 ARG A 58 15.967 -0.877 0.887 1.00 0.00 H new ATOM 0 HD3 ARG A 58 15.195 0.337 -0.113 1.00 0.00 H new ATOM 0 HE ARG A 58 13.385 -0.003 1.949 1.00 0.00 H new ATOM 0 HH11 ARG A 58 16.845 0.670 1.754 1.00 0.00 H new ATOM 0 HH12 ARG A 58 16.868 1.595 3.259 1.00 0.00 H new ATOM 0 HH21 ARG A 58 13.422 1.188 3.880 1.00 0.00 H new ATOM 0 HH22 ARG A 58 14.938 1.887 4.458 1.00 0.00 H new ATOM 936 N LEU A 59 15.026 -5.896 -0.661 1.00 0.00 N ATOM 937 CA LEU A 59 15.717 -6.800 -1.574 1.00 0.00 C ATOM 938 C LEU A 59 14.730 -7.744 -2.254 1.00 0.00 C ATOM 939 O LEU A 59 14.757 -7.913 -3.472 1.00 0.00 O ATOM 940 CB LEU A 59 16.776 -7.607 -0.820 1.00 0.00 C ATOM 941 CG LEU A 59 17.507 -8.678 -1.631 1.00 0.00 C ATOM 942 CD1 LEU A 59 18.203 -8.056 -2.831 1.00 0.00 C ATOM 943 CD2 LEU A 59 18.507 -9.418 -0.756 1.00 0.00 C ATOM 0 H LEU A 59 15.166 -6.106 0.327 1.00 0.00 H new ATOM 0 HA LEU A 59 16.206 -6.200 -2.341 1.00 0.00 H new ATOM 0 HB2 LEU A 59 17.516 -6.914 -0.421 1.00 0.00 H new ATOM 0 HB3 LEU A 59 16.298 -8.089 0.033 1.00 0.00 H new ATOM 0 HG LEU A 59 16.772 -9.396 -1.996 1.00 0.00 H new ATOM 0 HD11 LEU A 59 18.718 -8.833 -3.396 1.00 0.00 H new ATOM 0 HD12 LEU A 59 17.464 -7.572 -3.470 1.00 0.00 H new ATOM 0 HD13 LEU A 59 18.927 -7.316 -2.489 1.00 0.00 H new ATOM 0 HD21 LEU A 59 19.018 -10.176 -1.349 1.00 0.00 H new ATOM 0 HD22 LEU A 59 19.238 -8.712 -0.362 1.00 0.00 H new ATOM 0 HD23 LEU A 59 17.983 -9.897 0.071 1.00 0.00 H new ATOM 955 N ALA A 60 13.860 -8.356 -1.457 1.00 0.00 N ATOM 956 CA ALA A 60 12.862 -9.280 -1.983 1.00 0.00 C ATOM 957 C ALA A 60 12.076 -8.647 -3.126 1.00 0.00 C ATOM 958 O ALA A 60 11.844 -9.278 -4.158 1.00 0.00 O ATOM 959 CB ALA A 60 11.920 -9.725 -0.874 1.00 0.00 C ATOM 0 H ALA A 60 13.826 -8.229 -0.446 1.00 0.00 H new ATOM 0 HA ALA A 60 13.382 -10.154 -2.376 1.00 0.00 H new ATOM 0 HB1 ALA A 60 11.180 -10.414 -1.280 1.00 0.00 H new ATOM 0 HB2 ALA A 60 12.490 -10.225 -0.091 1.00 0.00 H new ATOM 0 HB3 ALA A 60 11.414 -8.855 -0.455 1.00 0.00 H new ATOM 965 N LEU A 61 11.668 -7.397 -2.936 1.00 0.00 N ATOM 966 CA LEU A 61 10.907 -6.678 -3.952 1.00 0.00 C ATOM 967 C LEU A 61 11.766 -6.400 -5.181 1.00 0.00 C ATOM 968 O LEU A 61 11.304 -6.527 -6.316 1.00 0.00 O ATOM 969 CB LEU A 61 10.372 -5.364 -3.381 1.00 0.00 C ATOM 970 CG LEU A 61 9.073 -4.843 -3.998 1.00 0.00 C ATOM 971 CD1 LEU A 61 9.239 -4.636 -5.496 1.00 0.00 C ATOM 972 CD2 LEU A 61 7.926 -5.802 -3.715 1.00 0.00 C ATOM 0 H LEU A 61 11.851 -6.860 -2.088 1.00 0.00 H new ATOM 0 HA LEU A 61 10.068 -7.305 -4.253 1.00 0.00 H new ATOM 0 HB2 LEU A 61 10.216 -5.493 -2.310 1.00 0.00 H new ATOM 0 HB3 LEU A 61 11.140 -4.600 -3.501 1.00 0.00 H new ATOM 0 HG LEU A 61 8.837 -3.881 -3.543 1.00 0.00 H new ATOM 0 HD11 LEU A 61 8.305 -4.265 -5.918 1.00 0.00 H new ATOM 0 HD12 LEU A 61 10.032 -3.911 -5.677 1.00 0.00 H new ATOM 0 HD13 LEU A 61 9.499 -5.584 -5.968 1.00 0.00 H new ATOM 0 HD21 LEU A 61 7.010 -5.415 -4.161 1.00 0.00 H new ATOM 0 HD22 LEU A 61 8.154 -6.778 -4.143 1.00 0.00 H new ATOM 0 HD23 LEU A 61 7.791 -5.900 -2.638 1.00 0.00 H new ATOM 984 N LEU A 62 13.018 -6.022 -4.948 1.00 0.00 N ATOM 985 CA LEU A 62 13.944 -5.728 -6.037 1.00 0.00 C ATOM 986 C LEU A 62 14.089 -6.928 -6.967 1.00 0.00 C ATOM 987 O LEU A 62 14.170 -6.776 -8.186 1.00 0.00 O ATOM 988 CB LEU A 62 15.312 -5.334 -5.477 1.00 0.00 C ATOM 989 CG LEU A 62 15.434 -3.905 -4.948 1.00 0.00 C ATOM 990 CD1 LEU A 62 16.460 -3.836 -3.827 1.00 0.00 C ATOM 991 CD2 LEU A 62 15.806 -2.950 -6.073 1.00 0.00 C ATOM 0 H LEU A 62 13.416 -5.912 -4.015 1.00 0.00 H new ATOM 0 HA LEU A 62 13.539 -4.894 -6.610 1.00 0.00 H new ATOM 0 HB2 LEU A 62 15.564 -6.022 -4.670 1.00 0.00 H new ATOM 0 HB3 LEU A 62 16.057 -5.475 -6.260 1.00 0.00 H new ATOM 0 HG LEU A 62 14.467 -3.603 -4.546 1.00 0.00 H new ATOM 0 HD11 LEU A 62 16.533 -2.811 -3.463 1.00 0.00 H new ATOM 0 HD12 LEU A 62 16.152 -4.490 -3.011 1.00 0.00 H new ATOM 0 HD13 LEU A 62 17.431 -4.158 -4.203 1.00 0.00 H new ATOM 0 HD21 LEU A 62 15.889 -1.937 -5.678 1.00 0.00 H new ATOM 0 HD22 LEU A 62 16.761 -3.250 -6.504 1.00 0.00 H new ATOM 0 HD23 LEU A 62 15.035 -2.977 -6.843 1.00 0.00 H new ATOM 1003 N LYS A 63 14.119 -8.122 -6.384 1.00 0.00 N ATOM 1004 CA LYS A 63 14.250 -9.350 -7.160 1.00 0.00 C ATOM 1005 C LYS A 63 12.954 -9.667 -7.899 1.00 0.00 C ATOM 1006 O LYS A 63 12.970 -10.008 -9.083 1.00 0.00 O ATOM 1007 CB LYS A 63 14.628 -10.517 -6.246 1.00 0.00 C ATOM 1008 CG LYS A 63 16.049 -10.439 -5.715 1.00 0.00 C ATOM 1009 CD LYS A 63 16.688 -11.815 -5.630 1.00 0.00 C ATOM 1010 CE LYS A 63 18.104 -11.738 -5.081 1.00 0.00 C ATOM 1011 NZ LYS A 63 19.054 -12.562 -5.879 1.00 0.00 N ATOM 0 H LYS A 63 14.054 -8.265 -5.376 1.00 0.00 H new ATOM 0 HA LYS A 63 15.040 -9.203 -7.896 1.00 0.00 H new ATOM 0 HB2 LYS A 63 13.936 -10.547 -5.404 1.00 0.00 H new ATOM 0 HB3 LYS A 63 14.505 -11.451 -6.794 1.00 0.00 H new ATOM 0 HG2 LYS A 63 16.646 -9.799 -6.364 1.00 0.00 H new ATOM 0 HG3 LYS A 63 16.045 -9.977 -4.728 1.00 0.00 H new ATOM 0 HD2 LYS A 63 16.084 -12.459 -4.992 1.00 0.00 H new ATOM 0 HD3 LYS A 63 16.704 -12.272 -6.620 1.00 0.00 H new ATOM 0 HE2 LYS A 63 18.437 -10.700 -5.079 1.00 0.00 H new ATOM 0 HE3 LYS A 63 18.111 -12.077 -4.045 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 20.008 -12.483 -5.473 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 18.751 -13.557 -5.860 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 19.067 -12.223 -6.862 1.00 0.00 H new ATOM 1025 N LEU A 64 11.834 -9.553 -7.195 1.00 0.00 N ATOM 1026 CA LEU A 64 10.528 -9.827 -7.785 1.00 0.00 C ATOM 1027 C LEU A 64 10.236 -8.864 -8.932 1.00 0.00 C ATOM 1028 O LEU A 64 9.695 -9.259 -9.965 1.00 0.00 O ATOM 1029 CB LEU A 64 9.433 -9.719 -6.722 1.00 0.00 C ATOM 1030 CG LEU A 64 8.817 -11.038 -6.256 1.00 0.00 C ATOM 1031 CD1 LEU A 64 8.128 -10.861 -4.912 1.00 0.00 C ATOM 1032 CD2 LEU A 64 7.837 -11.565 -7.295 1.00 0.00 C ATOM 0 H LEU A 64 11.803 -9.273 -6.215 1.00 0.00 H new ATOM 0 HA LEU A 64 10.542 -10.842 -8.182 1.00 0.00 H new ATOM 0 HB2 LEU A 64 9.847 -9.208 -5.853 1.00 0.00 H new ATOM 0 HB3 LEU A 64 8.636 -9.087 -7.113 1.00 0.00 H new ATOM 0 HG LEU A 64 9.617 -11.768 -6.137 1.00 0.00 H new ATOM 0 HD11 LEU A 64 7.696 -11.811 -4.597 1.00 0.00 H new ATOM 0 HD12 LEU A 64 8.856 -10.530 -4.171 1.00 0.00 H new ATOM 0 HD13 LEU A 64 7.338 -10.115 -5.003 1.00 0.00 H new ATOM 0 HD21 LEU A 64 7.408 -12.505 -6.947 1.00 0.00 H new ATOM 0 HD22 LEU A 64 7.041 -10.836 -7.446 1.00 0.00 H new ATOM 0 HD23 LEU A 64 8.360 -11.732 -8.237 1.00 0.00 H new ATOM 1044 N SER A 65 10.599 -7.600 -8.743 1.00 0.00 N ATOM 1045 CA SER A 65 10.375 -6.580 -9.761 1.00 0.00 C ATOM 1046 C SER A 65 11.040 -6.971 -11.077 1.00 0.00 C ATOM 1047 O SER A 65 10.411 -6.941 -12.135 1.00 0.00 O ATOM 1048 CB SER A 65 10.913 -5.229 -9.287 1.00 0.00 C ATOM 1049 OG SER A 65 9.861 -4.385 -8.852 1.00 0.00 O ATOM 0 H SER A 65 11.050 -7.257 -7.894 1.00 0.00 H new ATOM 0 HA SER A 65 9.301 -6.497 -9.927 1.00 0.00 H new ATOM 0 HB2 SER A 65 11.621 -5.382 -8.473 1.00 0.00 H new ATOM 0 HB3 SER A 65 11.459 -4.747 -10.098 1.00 0.00 H new ATOM 0 HG SER A 65 10.191 -3.785 -8.151 1.00 0.00 H new ATOM 1055 N GLN A 66 12.315 -7.338 -11.003 1.00 0.00 N ATOM 1056 CA GLN A 66 13.066 -7.734 -12.188 1.00 0.00 C ATOM 1057 C GLN A 66 12.447 -8.968 -12.837 1.00 0.00 C ATOM 1058 O GLN A 66 12.425 -9.093 -14.062 1.00 0.00 O ATOM 1059 CB GLN A 66 14.525 -8.012 -11.824 1.00 0.00 C ATOM 1060 CG GLN A 66 15.324 -8.643 -12.953 1.00 0.00 C ATOM 1061 CD GLN A 66 16.804 -8.742 -12.637 1.00 0.00 C ATOM 1062 OE1 GLN A 66 17.651 -8.388 -13.457 1.00 0.00 O ATOM 1063 NE2 GLN A 66 17.122 -9.225 -11.442 1.00 0.00 N ATOM 0 H GLN A 66 12.850 -7.369 -10.135 1.00 0.00 H new ATOM 0 HA GLN A 66 13.028 -6.912 -12.903 1.00 0.00 H new ATOM 0 HB2 GLN A 66 15.002 -7.077 -11.531 1.00 0.00 H new ATOM 0 HB3 GLN A 66 14.555 -8.671 -10.956 1.00 0.00 H new ATOM 0 HG2 GLN A 66 14.933 -9.640 -13.157 1.00 0.00 H new ATOM 0 HG3 GLN A 66 15.189 -8.055 -13.861 1.00 0.00 H new ATOM 0 HE21 GLN A 66 16.387 -9.506 -10.793 1.00 0.00 H new ATOM 0 HE22 GLN A 66 18.102 -9.315 -11.172 1.00 0.00 H new ATOM 1072 N PHE A 67 11.946 -9.878 -12.008 1.00 0.00 N ATOM 1073 CA PHE A 67 11.328 -11.103 -12.502 1.00 0.00 C ATOM 1074 C PHE A 67 10.141 -10.787 -13.407 1.00 0.00 C ATOM 1075 O PHE A 67 10.076 -11.248 -14.547 1.00 0.00 O ATOM 1076 CB PHE A 67 10.873 -11.977 -11.331 1.00 0.00 C ATOM 1077 CG PHE A 67 10.037 -13.152 -11.750 1.00 0.00 C ATOM 1078 CD1 PHE A 67 8.660 -13.038 -11.853 1.00 0.00 C ATOM 1079 CD2 PHE A 67 10.628 -14.371 -12.039 1.00 0.00 C ATOM 1080 CE1 PHE A 67 7.887 -14.117 -12.239 1.00 0.00 C ATOM 1081 CE2 PHE A 67 9.861 -15.454 -12.425 1.00 0.00 C ATOM 1082 CZ PHE A 67 8.489 -15.327 -12.524 1.00 0.00 C ATOM 0 H PHE A 67 11.956 -9.790 -10.992 1.00 0.00 H new ATOM 0 HA PHE A 67 12.072 -11.646 -13.085 1.00 0.00 H new ATOM 0 HB2 PHE A 67 11.751 -12.338 -10.795 1.00 0.00 H new ATOM 0 HB3 PHE A 67 10.302 -11.366 -10.632 1.00 0.00 H new ATOM 0 HD1 PHE A 67 8.185 -12.094 -11.629 1.00 0.00 H new ATOM 0 HD2 PHE A 67 11.700 -14.476 -11.962 1.00 0.00 H new ATOM 0 HE1 PHE A 67 6.815 -14.014 -12.318 1.00 0.00 H new ATOM 0 HE2 PHE A 67 10.334 -16.399 -12.649 1.00 0.00 H new ATOM 0 HZ PHE A 67 7.888 -16.173 -12.824 1.00 0.00 H new ATOM 1092 N TYR A 68 9.205 -10.000 -12.891 1.00 0.00 N ATOM 1093 CA TYR A 68 8.018 -9.624 -13.651 1.00 0.00 C ATOM 1094 C TYR A 68 8.390 -8.751 -14.845 1.00 0.00 C ATOM 1095 O TYR A 68 7.932 -8.982 -15.964 1.00 0.00 O ATOM 1096 CB TYR A 68 7.025 -8.884 -12.753 1.00 0.00 C ATOM 1097 CG TYR A 68 5.845 -9.730 -12.330 1.00 0.00 C ATOM 1098 CD1 TYR A 68 5.058 -10.381 -13.273 1.00 0.00 C ATOM 1099 CD2 TYR A 68 5.515 -9.877 -10.989 1.00 0.00 C ATOM 1100 CE1 TYR A 68 3.979 -11.154 -12.892 1.00 0.00 C ATOM 1101 CE2 TYR A 68 4.438 -10.649 -10.598 1.00 0.00 C ATOM 1102 CZ TYR A 68 3.673 -11.285 -11.554 1.00 0.00 C ATOM 1103 OH TYR A 68 2.598 -12.054 -11.169 1.00 0.00 O ATOM 0 H TYR A 68 9.244 -9.609 -11.950 1.00 0.00 H new ATOM 0 HA TYR A 68 7.551 -10.536 -14.023 1.00 0.00 H new ATOM 0 HB2 TYR A 68 7.546 -8.531 -11.863 1.00 0.00 H new ATOM 0 HB3 TYR A 68 6.659 -8.002 -13.279 1.00 0.00 H new ATOM 0 HD1 TYR A 68 5.295 -10.280 -14.322 1.00 0.00 H new ATOM 0 HD2 TYR A 68 6.111 -9.379 -10.238 1.00 0.00 H new ATOM 0 HE1 TYR A 68 3.378 -11.653 -13.638 1.00 0.00 H new ATOM 0 HE2 TYR A 68 4.196 -10.754 -9.551 1.00 0.00 H new ATOM 0 HH TYR A 68 2.463 -12.776 -11.818 1.00 0.00 H new ATOM 1113 N ALA A 69 9.223 -7.746 -14.598 1.00 0.00 N ATOM 1114 CA ALA A 69 9.660 -6.838 -15.652 1.00 0.00 C ATOM 1115 C ALA A 69 10.235 -7.608 -16.836 1.00 0.00 C ATOM 1116 O ALA A 69 10.177 -7.147 -17.976 1.00 0.00 O ATOM 1117 CB ALA A 69 10.687 -5.855 -15.110 1.00 0.00 C ATOM 0 H ALA A 69 9.609 -7.540 -13.677 1.00 0.00 H new ATOM 0 HA ALA A 69 8.790 -6.282 -16.002 1.00 0.00 H new ATOM 0 HB1 ALA A 69 11.004 -5.183 -15.908 1.00 0.00 H new ATOM 0 HB2 ALA A 69 10.243 -5.274 -14.302 1.00 0.00 H new ATOM 0 HB3 ALA A 69 11.550 -6.402 -14.732 1.00 0.00 H new ATOM 1123 N LEU A 70 10.790 -8.783 -16.558 1.00 0.00 N ATOM 1124 CA LEU A 70 11.377 -9.617 -17.601 1.00 0.00 C ATOM 1125 C LEU A 70 10.292 -10.270 -18.451 1.00 0.00 C ATOM 1126 O LEU A 70 10.328 -10.204 -19.680 1.00 0.00 O ATOM 1127 CB LEU A 70 12.269 -10.692 -16.979 1.00 0.00 C ATOM 1128 CG LEU A 70 12.640 -11.865 -17.888 1.00 0.00 C ATOM 1129 CD1 LEU A 70 13.463 -11.382 -19.073 1.00 0.00 C ATOM 1130 CD2 LEU A 70 13.400 -12.926 -17.106 1.00 0.00 C ATOM 0 H LEU A 70 10.846 -9.179 -15.620 1.00 0.00 H new ATOM 0 HA LEU A 70 11.982 -8.979 -18.245 1.00 0.00 H new ATOM 0 HB2 LEU A 70 13.189 -10.219 -16.636 1.00 0.00 H new ATOM 0 HB3 LEU A 70 11.766 -11.087 -16.096 1.00 0.00 H new ATOM 0 HG LEU A 70 11.721 -12.311 -18.268 1.00 0.00 H new ATOM 0 HD11 LEU A 70 13.718 -12.230 -19.709 1.00 0.00 H new ATOM 0 HD12 LEU A 70 12.884 -10.659 -19.647 1.00 0.00 H new ATOM 0 HD13 LEU A 70 14.378 -10.911 -18.713 1.00 0.00 H new ATOM 0 HD21 LEU A 70 13.656 -13.753 -17.769 1.00 0.00 H new ATOM 0 HD22 LEU A 70 14.313 -12.493 -16.697 1.00 0.00 H new ATOM 0 HD23 LEU A 70 12.777 -13.294 -16.291 1.00 0.00 H new ATOM 1142 N ILE A 71 9.326 -10.898 -17.788 1.00 0.00 N ATOM 1143 CA ILE A 71 8.229 -11.560 -18.483 1.00 0.00 C ATOM 1144 C ILE A 71 7.011 -10.648 -18.583 1.00 0.00 C ATOM 1145 O ILE A 71 5.875 -11.116 -18.640 1.00 0.00 O ATOM 1146 CB ILE A 71 7.822 -12.866 -17.777 1.00 0.00 C ATOM 1147 CG1 ILE A 71 7.253 -12.565 -16.388 1.00 0.00 C ATOM 1148 CG2 ILE A 71 9.013 -13.807 -17.675 1.00 0.00 C ATOM 1149 CD1 ILE A 71 6.821 -13.801 -15.631 1.00 0.00 C ATOM 0 H ILE A 71 9.281 -10.962 -16.771 1.00 0.00 H new ATOM 0 HA ILE A 71 8.587 -11.795 -19.485 1.00 0.00 H new ATOM 0 HB ILE A 71 7.048 -13.355 -18.368 1.00 0.00 H new ATOM 0 HG12 ILE A 71 8.005 -12.035 -15.803 1.00 0.00 H new ATOM 0 HG13 ILE A 71 6.399 -11.895 -16.491 1.00 0.00 H new ATOM 0 HG21 ILE A 71 8.709 -14.726 -17.173 1.00 0.00 H new ATOM 0 HG22 ILE A 71 9.377 -14.043 -18.675 1.00 0.00 H new ATOM 0 HG23 ILE A 71 9.808 -13.328 -17.103 1.00 0.00 H new ATOM 0 HD11 ILE A 71 6.428 -13.512 -14.656 1.00 0.00 H new ATOM 0 HD12 ILE A 71 6.046 -14.321 -16.195 1.00 0.00 H new ATOM 0 HD13 ILE A 71 7.677 -14.463 -15.496 1.00 0.00 H new ATOM 1161 N ASN A 72 7.258 -9.342 -18.604 1.00 0.00 N ATOM 1162 CA ASN A 72 6.181 -8.363 -18.698 1.00 0.00 C ATOM 1163 C ASN A 72 6.016 -7.871 -20.133 1.00 0.00 C ATOM 1164 O ASN A 72 4.936 -7.436 -20.531 1.00 0.00 O ATOM 1165 CB ASN A 72 6.458 -7.178 -17.770 1.00 0.00 C ATOM 1166 CG ASN A 72 5.519 -7.144 -16.580 1.00 0.00 C ATOM 1167 OD1 ASN A 72 4.381 -7.607 -16.659 1.00 0.00 O ATOM 1168 ND2 ASN A 72 5.992 -6.593 -15.468 1.00 0.00 N ATOM 0 H ASN A 72 8.193 -8.938 -18.557 1.00 0.00 H new ATOM 0 HA ASN A 72 5.255 -8.849 -18.390 1.00 0.00 H new ATOM 0 HB2 ASN A 72 7.487 -7.230 -17.416 1.00 0.00 H new ATOM 0 HB3 ASN A 72 6.361 -6.249 -18.332 1.00 0.00 H new ATOM 0 HD21 ASN A 72 5.406 -6.541 -14.635 1.00 0.00 H new ATOM 0 HD22 ASN A 72 6.942 -6.222 -15.447 1.00 0.00 H new ATOM 1175 N GLY A 73 7.096 -7.944 -20.905 1.00 0.00 N ATOM 1176 CA GLY A 73 7.050 -7.503 -22.287 1.00 0.00 C ATOM 1177 C GLY A 73 8.225 -8.015 -23.098 1.00 0.00 C ATOM 1178 O GLY A 73 8.709 -7.331 -24.000 1.00 0.00 O ATOM 0 H GLY A 73 8.001 -8.300 -20.598 1.00 0.00 H new ATOM 0 HA2 GLY A 73 6.121 -7.844 -22.743 1.00 0.00 H new ATOM 0 HA3 GLY A 73 7.039 -6.413 -22.317 1.00 0.00 H new ATOM 1182 N ASP A 74 8.684 -9.218 -22.775 1.00 0.00 N ATOM 1183 CA ASP A 74 9.810 -9.821 -23.480 1.00 0.00 C ATOM 1184 C ASP A 74 9.484 -10.018 -24.957 1.00 0.00 C ATOM 1185 O ASP A 74 8.384 -9.700 -25.407 1.00 0.00 O ATOM 1186 CB ASP A 74 10.180 -11.161 -22.843 1.00 0.00 C ATOM 1187 CG ASP A 74 11.658 -11.474 -22.968 1.00 0.00 C ATOM 1188 OD1 ASP A 74 12.013 -12.343 -23.792 1.00 0.00 O ATOM 1189 OD2 ASP A 74 12.459 -10.850 -22.242 1.00 0.00 O ATOM 0 H ASP A 74 8.295 -9.796 -22.030 1.00 0.00 H new ATOM 0 HA ASP A 74 10.660 -9.144 -23.402 1.00 0.00 H new ATOM 0 HB2 ASP A 74 9.902 -11.148 -21.789 1.00 0.00 H new ATOM 0 HB3 ASP A 74 9.602 -11.956 -23.315 1.00 0.00 H new ATOM 1194 N GLU A 75 10.448 -10.545 -25.706 1.00 0.00 N ATOM 1195 CA GLU A 75 10.263 -10.782 -27.132 1.00 0.00 C ATOM 1196 C GLU A 75 10.396 -12.267 -27.458 1.00 0.00 C ATOM 1197 O GLU A 75 10.706 -12.640 -28.590 1.00 0.00 O ATOM 1198 CB GLU A 75 11.282 -9.978 -27.942 1.00 0.00 C ATOM 1199 CG GLU A 75 10.708 -9.373 -29.212 1.00 0.00 C ATOM 1200 CD GLU A 75 11.782 -8.845 -30.144 1.00 0.00 C ATOM 1201 OE1 GLU A 75 11.649 -7.694 -30.610 1.00 0.00 O ATOM 1202 OE2 GLU A 75 12.755 -9.583 -30.407 1.00 0.00 O ATOM 0 H GLU A 75 11.364 -10.816 -25.349 1.00 0.00 H new ATOM 0 HA GLU A 75 9.258 -10.457 -27.401 1.00 0.00 H new ATOM 0 HB2 GLU A 75 11.681 -9.179 -27.317 1.00 0.00 H new ATOM 0 HB3 GLU A 75 12.118 -10.626 -28.204 1.00 0.00 H new ATOM 0 HG2 GLU A 75 10.117 -10.126 -29.734 1.00 0.00 H new ATOM 0 HG3 GLU A 75 10.029 -8.562 -28.949 1.00 0.00 H new ATOM 1209 N SER A 76 10.160 -13.110 -26.458 1.00 0.00 N ATOM 1210 CA SER A 76 10.257 -14.554 -26.636 1.00 0.00 C ATOM 1211 C SER A 76 9.546 -15.290 -25.505 1.00 0.00 C ATOM 1212 O SER A 76 9.888 -16.427 -25.178 1.00 0.00 O ATOM 1213 CB SER A 76 11.724 -14.984 -26.697 1.00 0.00 C ATOM 1214 OG SER A 76 12.531 -14.163 -25.871 1.00 0.00 O ATOM 0 H SER A 76 9.900 -12.818 -25.516 1.00 0.00 H new ATOM 0 HA SER A 76 9.770 -14.813 -27.576 1.00 0.00 H new ATOM 0 HB2 SER A 76 11.815 -16.023 -26.382 1.00 0.00 H new ATOM 0 HB3 SER A 76 12.079 -14.931 -27.726 1.00 0.00 H new ATOM 0 HG SER A 76 11.984 -13.783 -25.152 1.00 0.00 H new ATOM 1220 N ILE A 77 8.555 -14.634 -24.911 1.00 0.00 N ATOM 1221 CA ILE A 77 7.794 -15.225 -23.818 1.00 0.00 C ATOM 1222 C ILE A 77 6.309 -14.906 -23.945 1.00 0.00 C ATOM 1223 O ILE A 77 5.925 -13.749 -24.120 1.00 0.00 O ATOM 1224 CB ILE A 77 8.299 -14.730 -22.449 1.00 0.00 C ATOM 1225 CG1 ILE A 77 9.781 -15.067 -22.275 1.00 0.00 C ATOM 1226 CG2 ILE A 77 7.475 -15.345 -21.327 1.00 0.00 C ATOM 1227 CD1 ILE A 77 10.369 -14.556 -20.978 1.00 0.00 C ATOM 0 H ILE A 77 8.260 -13.692 -25.169 1.00 0.00 H new ATOM 0 HA ILE A 77 7.937 -16.304 -23.881 1.00 0.00 H new ATOM 0 HB ILE A 77 8.185 -13.647 -22.406 1.00 0.00 H new ATOM 0 HG12 ILE A 77 9.907 -16.149 -22.320 1.00 0.00 H new ATOM 0 HG13 ILE A 77 10.341 -14.646 -23.109 1.00 0.00 H new ATOM 0 HG21 ILE A 77 7.844 -14.986 -20.366 1.00 0.00 H new ATOM 0 HG22 ILE A 77 6.430 -15.059 -21.445 1.00 0.00 H new ATOM 0 HG23 ILE A 77 7.561 -16.431 -21.366 1.00 0.00 H new ATOM 0 HD11 ILE A 77 11.422 -14.831 -20.923 1.00 0.00 H new ATOM 0 HD12 ILE A 77 10.275 -13.471 -20.939 1.00 0.00 H new ATOM 0 HD13 ILE A 77 9.834 -14.997 -20.137 1.00 0.00 H new ATOM 1443 N TYR A 91 4.039 -17.544 -18.938 1.00 0.00 N ATOM 1444 CA TYR A 91 5.197 -16.843 -19.481 1.00 0.00 C ATOM 1445 C TYR A 91 6.278 -17.830 -19.912 1.00 0.00 C ATOM 1446 O TYR A 91 7.421 -17.755 -19.461 1.00 0.00 O ATOM 1447 CB TYR A 91 5.763 -15.871 -18.445 1.00 0.00 C ATOM 1448 CG TYR A 91 4.702 -15.078 -17.716 1.00 0.00 C ATOM 1449 CD1 TYR A 91 4.234 -15.485 -16.473 1.00 0.00 C ATOM 1450 CD2 TYR A 91 4.167 -13.921 -18.271 1.00 0.00 C ATOM 1451 CE1 TYR A 91 3.264 -14.764 -15.804 1.00 0.00 C ATOM 1452 CE2 TYR A 91 3.198 -13.193 -17.608 1.00 0.00 C ATOM 1453 CZ TYR A 91 2.750 -13.619 -16.375 1.00 0.00 C ATOM 1454 OH TYR A 91 1.783 -12.897 -15.712 1.00 0.00 O ATOM 0 HA TYR A 91 4.872 -16.282 -20.357 1.00 0.00 H new ATOM 0 HB2 TYR A 91 6.351 -16.430 -17.717 1.00 0.00 H new ATOM 0 HB3 TYR A 91 6.444 -15.180 -18.941 1.00 0.00 H new ATOM 0 HD1 TYR A 91 4.635 -16.380 -16.022 1.00 0.00 H new ATOM 0 HD2 TYR A 91 4.515 -13.586 -19.237 1.00 0.00 H new ATOM 0 HE1 TYR A 91 2.910 -15.095 -14.839 1.00 0.00 H new ATOM 0 HE2 TYR A 91 2.794 -12.296 -18.053 1.00 0.00 H new ATOM 0 HH TYR A 91 1.529 -12.118 -16.250 1.00 0.00 H new ATOM 1464 N THR A 92 5.908 -18.756 -20.791 1.00 0.00 N ATOM 1465 CA THR A 92 6.843 -19.759 -21.285 1.00 0.00 C ATOM 1466 C THR A 92 8.121 -19.110 -21.805 1.00 0.00 C ATOM 1467 O THR A 92 8.095 -17.994 -22.326 1.00 0.00 O ATOM 1468 CB THR A 92 6.217 -20.607 -22.408 1.00 0.00 C ATOM 1469 OG1 THR A 92 4.950 -21.122 -21.985 1.00 0.00 O ATOM 1470 CG2 THR A 92 7.135 -21.757 -22.794 1.00 0.00 C ATOM 0 H THR A 92 4.966 -18.832 -21.176 1.00 0.00 H new ATOM 0 HA THR A 92 7.085 -20.408 -20.443 1.00 0.00 H new ATOM 0 HB THR A 92 6.076 -19.968 -23.280 1.00 0.00 H new ATOM 0 HG1 THR A 92 4.558 -21.659 -22.705 1.00 0.00 H new ATOM 0 HG21 THR A 92 6.671 -22.342 -23.589 1.00 0.00 H new ATOM 0 HG22 THR A 92 8.088 -21.360 -23.144 1.00 0.00 H new ATOM 0 HG23 THR A 92 7.304 -22.394 -21.926 1.00 0.00 H new ATOM 1478 N LEU A 93 9.237 -19.815 -21.662 1.00 0.00 N ATOM 1479 CA LEU A 93 10.527 -19.308 -22.119 1.00 0.00 C ATOM 1480 C LEU A 93 11.026 -20.097 -23.326 1.00 0.00 C ATOM 1481 O LEU A 93 10.565 -21.207 -23.588 1.00 0.00 O ATOM 1482 CB LEU A 93 11.554 -19.378 -20.989 1.00 0.00 C ATOM 1483 CG LEU A 93 11.061 -18.953 -19.605 1.00 0.00 C ATOM 1484 CD1 LEU A 93 12.213 -18.920 -18.614 1.00 0.00 C ATOM 1485 CD2 LEU A 93 10.377 -17.595 -19.677 1.00 0.00 C ATOM 0 H LEU A 93 9.276 -20.740 -21.233 1.00 0.00 H new ATOM 0 HA LEU A 93 10.396 -18.268 -22.418 1.00 0.00 H new ATOM 0 HB2 LEU A 93 11.922 -20.402 -20.923 1.00 0.00 H new ATOM 0 HB3 LEU A 93 12.404 -18.751 -21.258 1.00 0.00 H new ATOM 0 HG LEU A 93 10.333 -19.687 -19.259 1.00 0.00 H new ATOM 0 HD11 LEU A 93 11.842 -18.615 -17.635 1.00 0.00 H new ATOM 0 HD12 LEU A 93 12.658 -19.912 -18.541 1.00 0.00 H new ATOM 0 HD13 LEU A 93 12.966 -18.209 -18.954 1.00 0.00 H new ATOM 0 HD21 LEU A 93 10.032 -17.308 -18.684 1.00 0.00 H new ATOM 0 HD22 LEU A 93 11.083 -16.851 -20.045 1.00 0.00 H new ATOM 0 HD23 LEU A 93 9.525 -17.652 -20.354 1.00 0.00 H new ATOM 1497 N GLY A 94 11.973 -19.516 -24.056 1.00 0.00 N ATOM 1498 CA GLY A 94 12.521 -20.179 -25.224 1.00 0.00 C ATOM 1499 C GLY A 94 13.085 -21.549 -24.902 1.00 0.00 C ATOM 1500 O GLY A 94 13.199 -22.403 -25.781 1.00 0.00 O ATOM 0 H GLY A 94 12.370 -18.598 -23.859 1.00 0.00 H new ATOM 0 HA2 GLY A 94 11.742 -20.279 -25.980 1.00 0.00 H new ATOM 0 HA3 GLY A 94 13.306 -19.558 -25.655 1.00 0.00 H new ATOM 1504 N ASP A 95 13.440 -21.758 -23.639 1.00 0.00 N ATOM 1505 CA ASP A 95 13.996 -23.034 -23.202 1.00 0.00 C ATOM 1506 C ASP A 95 12.904 -23.939 -22.642 1.00 0.00 C ATOM 1507 O ASP A 95 13.182 -24.865 -21.880 1.00 0.00 O ATOM 1508 CB ASP A 95 15.080 -22.807 -22.147 1.00 0.00 C ATOM 1509 CG ASP A 95 16.366 -22.270 -22.744 1.00 0.00 C ATOM 1510 OD1 ASP A 95 17.368 -22.171 -22.004 1.00 0.00 O ATOM 1511 OD2 ASP A 95 16.371 -21.950 -23.950 1.00 0.00 O ATOM 0 H ASP A 95 13.353 -21.061 -22.900 1.00 0.00 H new ATOM 0 HA ASP A 95 14.440 -23.525 -24.068 1.00 0.00 H new ATOM 0 HB2 ASP A 95 14.712 -22.108 -21.396 1.00 0.00 H new ATOM 0 HB3 ASP A 95 15.286 -23.746 -21.634 1.00 0.00 H new ATOM 1516 N GLY A 96 11.661 -23.665 -23.024 1.00 0.00 N ATOM 1517 CA GLY A 96 10.546 -24.463 -22.549 1.00 0.00 C ATOM 1518 C GLY A 96 10.530 -24.598 -21.039 1.00 0.00 C ATOM 1519 O GLY A 96 10.033 -25.588 -20.503 1.00 0.00 O ATOM 0 H GLY A 96 11.406 -22.905 -23.654 1.00 0.00 H new ATOM 0 HA2 GLY A 96 9.612 -24.009 -22.880 1.00 0.00 H new ATOM 0 HA3 GLY A 96 10.596 -25.455 -22.999 1.00 0.00 H new ATOM 1523 N SER A 97 11.078 -23.600 -20.352 1.00 0.00 N ATOM 1524 CA SER A 97 11.130 -23.614 -18.895 1.00 0.00 C ATOM 1525 C SER A 97 10.031 -22.738 -18.303 1.00 0.00 C ATOM 1526 O SER A 97 9.544 -21.812 -18.952 1.00 0.00 O ATOM 1527 CB SER A 97 12.499 -23.134 -18.408 1.00 0.00 C ATOM 1528 OG SER A 97 13.535 -23.969 -18.894 1.00 0.00 O ATOM 0 H SER A 97 11.492 -22.772 -20.781 1.00 0.00 H new ATOM 0 HA SER A 97 10.972 -24.639 -18.560 1.00 0.00 H new ATOM 0 HB2 SER A 97 12.668 -22.110 -18.740 1.00 0.00 H new ATOM 0 HB3 SER A 97 12.517 -23.123 -17.318 1.00 0.00 H new ATOM 0 HG SER A 97 13.441 -24.076 -19.864 1.00 0.00 H new ATOM 1534 N SER A 98 9.645 -23.038 -17.067 1.00 0.00 N ATOM 1535 CA SER A 98 8.600 -22.281 -16.388 1.00 0.00 C ATOM 1536 C SER A 98 9.204 -21.282 -15.406 1.00 0.00 C ATOM 1537 O SER A 98 9.371 -21.580 -14.223 1.00 0.00 O ATOM 1538 CB SER A 98 7.651 -23.228 -15.651 1.00 0.00 C ATOM 1539 OG SER A 98 8.355 -24.033 -14.721 1.00 0.00 O ATOM 0 H SER A 98 10.040 -23.800 -16.516 1.00 0.00 H new ATOM 0 HA SER A 98 8.038 -21.729 -17.141 1.00 0.00 H new ATOM 0 HB2 SER A 98 6.887 -22.650 -15.131 1.00 0.00 H new ATOM 0 HB3 SER A 98 7.136 -23.864 -16.371 1.00 0.00 H new ATOM 0 HG SER A 98 8.972 -23.473 -14.204 1.00 0.00 H new ATOM 1545 N LEU A 99 9.530 -20.095 -15.905 1.00 0.00 N ATOM 1546 CA LEU A 99 10.116 -19.050 -15.073 1.00 0.00 C ATOM 1547 C LEU A 99 9.274 -18.812 -13.823 1.00 0.00 C ATOM 1548 O LEU A 99 8.213 -18.192 -13.888 1.00 0.00 O ATOM 1549 CB LEU A 99 10.247 -17.750 -15.868 1.00 0.00 C ATOM 1550 CG LEU A 99 11.294 -16.756 -15.364 1.00 0.00 C ATOM 1551 CD1 LEU A 99 12.600 -16.924 -16.124 1.00 0.00 C ATOM 1552 CD2 LEU A 99 10.780 -15.329 -15.491 1.00 0.00 C ATOM 0 H LEU A 99 9.398 -19.832 -16.882 1.00 0.00 H new ATOM 0 HA LEU A 99 11.107 -19.381 -14.763 1.00 0.00 H new ATOM 0 HB2 LEU A 99 10.483 -18.002 -16.902 1.00 0.00 H new ATOM 0 HB3 LEU A 99 9.277 -17.253 -15.875 1.00 0.00 H new ATOM 0 HG LEU A 99 11.483 -16.960 -14.310 1.00 0.00 H new ATOM 0 HD11 LEU A 99 13.333 -16.208 -15.751 1.00 0.00 H new ATOM 0 HD12 LEU A 99 12.977 -17.937 -15.981 1.00 0.00 H new ATOM 0 HD13 LEU A 99 12.428 -16.748 -17.186 1.00 0.00 H new ATOM 0 HD21 LEU A 99 11.538 -14.635 -15.128 1.00 0.00 H new ATOM 0 HD22 LEU A 99 10.562 -15.113 -16.537 1.00 0.00 H new ATOM 0 HD23 LEU A 99 9.871 -15.216 -14.900 1.00 0.00 H new ATOM 1564 N GLN A 100 9.756 -19.308 -12.688 1.00 0.00 N ATOM 1565 CA GLN A 100 9.047 -19.148 -11.424 1.00 0.00 C ATOM 1566 C GLN A 100 9.602 -17.968 -10.634 1.00 0.00 C ATOM 1567 O GLN A 100 10.799 -17.682 -10.682 1.00 0.00 O ATOM 1568 CB GLN A 100 9.150 -20.427 -10.592 1.00 0.00 C ATOM 1569 CG GLN A 100 8.247 -21.547 -11.083 1.00 0.00 C ATOM 1570 CD GLN A 100 8.758 -22.921 -10.697 1.00 0.00 C ATOM 1571 OE1 GLN A 100 8.968 -23.781 -11.553 1.00 0.00 O ATOM 1572 NE2 GLN A 100 8.963 -23.135 -9.402 1.00 0.00 N ATOM 0 H GLN A 100 10.633 -19.823 -12.618 1.00 0.00 H new ATOM 0 HA GLN A 100 7.998 -18.951 -11.647 1.00 0.00 H new ATOM 0 HB2 GLN A 100 10.183 -20.774 -10.601 1.00 0.00 H new ATOM 0 HB3 GLN A 100 8.900 -20.198 -9.556 1.00 0.00 H new ATOM 0 HG2 GLN A 100 7.246 -21.408 -10.674 1.00 0.00 H new ATOM 0 HG3 GLN A 100 8.159 -21.488 -12.168 1.00 0.00 H new ATOM 0 HE21 GLN A 100 8.776 -22.394 -8.727 1.00 0.00 H new ATOM 0 HE22 GLN A 100 9.308 -24.040 -9.083 1.00 0.00 H new ATOM 1581 N LYS A 101 8.725 -17.283 -9.908 1.00 0.00 N ATOM 1582 CA LYS A 101 9.127 -16.133 -9.106 1.00 0.00 C ATOM 1583 C LYS A 101 10.303 -16.484 -8.202 1.00 0.00 C ATOM 1584 O LYS A 101 10.574 -17.652 -7.920 1.00 0.00 O ATOM 1585 CB LYS A 101 7.950 -15.638 -8.262 1.00 0.00 C ATOM 1586 CG LYS A 101 7.183 -14.493 -8.899 1.00 0.00 C ATOM 1587 CD LYS A 101 5.984 -14.995 -9.687 1.00 0.00 C ATOM 1588 CE LYS A 101 5.016 -13.866 -10.008 1.00 0.00 C ATOM 1589 NZ LYS A 101 3.685 -14.081 -9.376 1.00 0.00 N ATOM 0 H LYS A 101 7.731 -17.504 -9.858 1.00 0.00 H new ATOM 0 HA LYS A 101 9.439 -15.339 -9.785 1.00 0.00 H new ATOM 0 HB2 LYS A 101 7.266 -16.468 -8.085 1.00 0.00 H new ATOM 0 HB3 LYS A 101 8.321 -15.318 -7.288 1.00 0.00 H new ATOM 0 HG2 LYS A 101 6.848 -13.803 -8.125 1.00 0.00 H new ATOM 0 HG3 LYS A 101 7.845 -13.933 -9.560 1.00 0.00 H new ATOM 0 HD2 LYS A 101 6.324 -15.459 -10.613 1.00 0.00 H new ATOM 0 HD3 LYS A 101 5.468 -15.766 -9.115 1.00 0.00 H new ATOM 0 HE2 LYS A 101 5.434 -12.920 -9.663 1.00 0.00 H new ATOM 0 HE3 LYS A 101 4.896 -13.786 -11.088 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 2.984 -13.457 -9.823 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 3.397 -15.072 -9.502 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 3.744 -13.864 -8.361 1.00 0.00 H new ATOM 1603 N PRO A 102 11.020 -15.452 -7.734 1.00 0.00 N ATOM 1604 CA PRO A 102 12.178 -15.627 -6.852 1.00 0.00 C ATOM 1605 C PRO A 102 11.780 -16.108 -5.461 1.00 0.00 C ATOM 1606 O PRO A 102 10.762 -15.682 -4.915 1.00 0.00 O ATOM 1607 CB PRO A 102 12.784 -14.223 -6.780 1.00 0.00 C ATOM 1608 CG PRO A 102 11.646 -13.304 -7.062 1.00 0.00 C ATOM 1609 CD PRO A 102 10.755 -14.034 -8.029 1.00 0.00 C ATOM 0 HA PRO A 102 12.866 -16.384 -7.228 1.00 0.00 H new ATOM 0 HB2 PRO A 102 13.216 -14.028 -5.798 1.00 0.00 H new ATOM 0 HB3 PRO A 102 13.583 -14.099 -7.511 1.00 0.00 H new ATOM 0 HG2 PRO A 102 11.108 -13.056 -6.147 1.00 0.00 H new ATOM 0 HG3 PRO A 102 11.999 -12.365 -7.489 1.00 0.00 H new ATOM 0 HD2 PRO A 102 9.706 -13.781 -7.877 1.00 0.00 H new ATOM 0 HD3 PRO A 102 10.996 -13.787 -9.063 1.00 0.00 H new ATOM 1617 N ASP A 103 12.589 -16.995 -4.893 1.00 0.00 N ATOM 1618 CA ASP A 103 12.322 -17.533 -3.564 1.00 0.00 C ATOM 1619 C ASP A 103 12.654 -16.506 -2.486 1.00 0.00 C ATOM 1620 O ASP A 103 13.656 -16.633 -1.781 1.00 0.00 O ATOM 1621 CB ASP A 103 13.130 -18.811 -3.336 1.00 0.00 C ATOM 1622 CG ASP A 103 12.511 -20.017 -4.015 1.00 0.00 C ATOM 1623 OD1 ASP A 103 12.322 -19.971 -5.249 1.00 0.00 O ATOM 1624 OD2 ASP A 103 12.216 -21.006 -3.313 1.00 0.00 O ATOM 0 H ASP A 103 13.436 -17.357 -5.332 1.00 0.00 H new ATOM 0 HA ASP A 103 11.260 -17.769 -3.501 1.00 0.00 H new ATOM 0 HB2 ASP A 103 14.144 -18.668 -3.710 1.00 0.00 H new ATOM 0 HB3 ASP A 103 13.209 -19.001 -2.266 1.00 0.00 H new ATOM 1629 N VAL A 104 11.808 -15.489 -2.364 1.00 0.00 N ATOM 1630 CA VAL A 104 12.012 -14.440 -1.371 1.00 0.00 C ATOM 1631 C VAL A 104 11.143 -14.671 -0.140 1.00 0.00 C ATOM 1632 O VAL A 104 10.814 -13.733 0.586 1.00 0.00 O ATOM 1633 CB VAL A 104 11.699 -13.048 -1.953 1.00 0.00 C ATOM 1634 CG1 VAL A 104 12.516 -12.799 -3.211 1.00 0.00 C ATOM 1635 CG2 VAL A 104 10.211 -12.914 -2.239 1.00 0.00 C ATOM 0 H VAL A 104 10.975 -15.368 -2.940 1.00 0.00 H new ATOM 0 HA VAL A 104 13.062 -14.478 -1.082 1.00 0.00 H new ATOM 0 HB VAL A 104 11.974 -12.294 -1.215 1.00 0.00 H new ATOM 0 HG11 VAL A 104 12.281 -11.811 -3.608 1.00 0.00 H new ATOM 0 HG12 VAL A 104 13.578 -12.851 -2.971 1.00 0.00 H new ATOM 0 HG13 VAL A 104 12.275 -13.556 -3.957 1.00 0.00 H new ATOM 0 HG21 VAL A 104 10.007 -11.925 -2.650 1.00 0.00 H new ATOM 0 HG22 VAL A 104 9.909 -13.675 -2.958 1.00 0.00 H new ATOM 0 HG23 VAL A 104 9.649 -13.046 -1.314 1.00 0.00 H new ATOM 1645 N TYR A 105 10.775 -15.927 0.089 1.00 0.00 N ATOM 1646 CA TYR A 105 9.943 -16.282 1.232 1.00 0.00 C ATOM 1647 C TYR A 105 10.725 -16.160 2.536 1.00 0.00 C ATOM 1648 O TYR A 105 10.176 -15.778 3.569 1.00 0.00 O ATOM 1649 CB TYR A 105 9.409 -17.707 1.077 1.00 0.00 C ATOM 1650 CG TYR A 105 8.446 -18.115 2.169 1.00 0.00 C ATOM 1651 CD1 TYR A 105 7.361 -17.313 2.501 1.00 0.00 C ATOM 1652 CD2 TYR A 105 8.621 -19.302 2.870 1.00 0.00 C ATOM 1653 CE1 TYR A 105 6.479 -17.681 3.498 1.00 0.00 C ATOM 1654 CE2 TYR A 105 7.743 -19.679 3.868 1.00 0.00 C ATOM 1655 CZ TYR A 105 6.674 -18.865 4.178 1.00 0.00 C ATOM 1656 OH TYR A 105 5.798 -19.236 5.173 1.00 0.00 O ATOM 0 H TYR A 105 11.040 -16.715 -0.502 1.00 0.00 H new ATOM 0 HA TYR A 105 9.104 -15.587 1.267 1.00 0.00 H new ATOM 0 HB2 TYR A 105 8.910 -17.796 0.112 1.00 0.00 H new ATOM 0 HB3 TYR A 105 10.249 -18.402 1.067 1.00 0.00 H new ATOM 0 HD1 TYR A 105 7.205 -16.386 1.970 1.00 0.00 H new ATOM 0 HD2 TYR A 105 9.458 -19.941 2.631 1.00 0.00 H new ATOM 0 HE1 TYR A 105 5.641 -17.045 3.744 1.00 0.00 H new ATOM 0 HE2 TYR A 105 7.893 -20.606 4.402 1.00 0.00 H new ATOM 0 HH TYR A 105 5.505 -20.159 5.023 1.00 0.00 H new ATOM 1666 N ALA A 106 12.013 -16.486 2.478 1.00 0.00 N ATOM 1667 CA ALA A 106 12.873 -16.410 3.653 1.00 0.00 C ATOM 1668 C ALA A 106 13.148 -14.961 4.039 1.00 0.00 C ATOM 1669 O ALA A 106 13.443 -14.661 5.197 1.00 0.00 O ATOM 1670 CB ALA A 106 14.179 -17.148 3.398 1.00 0.00 C ATOM 0 H ALA A 106 12.483 -16.805 1.631 1.00 0.00 H new ATOM 0 HA ALA A 106 12.355 -16.887 4.485 1.00 0.00 H new ATOM 0 HB1 ALA A 106 14.812 -17.084 4.283 1.00 0.00 H new ATOM 0 HB2 ALA A 106 13.969 -18.195 3.178 1.00 0.00 H new ATOM 0 HB3 ALA A 106 14.693 -16.695 2.550 1.00 0.00 H new ATOM 1676 N LEU A 107 13.051 -14.065 3.063 1.00 0.00 N ATOM 1677 CA LEU A 107 13.291 -12.646 3.301 1.00 0.00 C ATOM 1678 C LEU A 107 12.126 -12.016 4.059 1.00 0.00 C ATOM 1679 O LEU A 107 12.299 -11.027 4.771 1.00 0.00 O ATOM 1680 CB LEU A 107 13.505 -11.915 1.974 1.00 0.00 C ATOM 1681 CG LEU A 107 14.795 -12.250 1.224 1.00 0.00 C ATOM 1682 CD1 LEU A 107 14.802 -11.590 -0.146 1.00 0.00 C ATOM 1683 CD2 LEU A 107 16.009 -11.819 2.032 1.00 0.00 C ATOM 0 H LEU A 107 12.808 -14.296 2.100 1.00 0.00 H new ATOM 0 HA LEU A 107 14.190 -12.552 3.910 1.00 0.00 H new ATOM 0 HB2 LEU A 107 12.661 -12.135 1.321 1.00 0.00 H new ATOM 0 HB3 LEU A 107 13.488 -10.842 2.166 1.00 0.00 H new ATOM 0 HG LEU A 107 14.842 -13.330 1.085 1.00 0.00 H new ATOM 0 HD11 LEU A 107 15.727 -11.839 -0.665 1.00 0.00 H new ATOM 0 HD12 LEU A 107 13.952 -11.948 -0.727 1.00 0.00 H new ATOM 0 HD13 LEU A 107 14.732 -10.509 -0.029 1.00 0.00 H new ATOM 0 HD21 LEU A 107 16.918 -12.065 1.483 1.00 0.00 H new ATOM 0 HD22 LEU A 107 15.969 -10.743 2.203 1.00 0.00 H new ATOM 0 HD23 LEU A 107 16.012 -12.339 2.990 1.00 0.00 H new ATOM 1695 N ILE A 108 10.942 -12.598 3.902 1.00 0.00 N ATOM 1696 CA ILE A 108 9.750 -12.096 4.574 1.00 0.00 C ATOM 1697 C ILE A 108 9.298 -13.048 5.676 1.00 0.00 C ATOM 1698 O ILE A 108 8.346 -12.766 6.404 1.00 0.00 O ATOM 1699 CB ILE A 108 8.590 -11.888 3.583 1.00 0.00 C ATOM 1700 CG1 ILE A 108 8.180 -13.222 2.957 1.00 0.00 C ATOM 1701 CG2 ILE A 108 8.987 -10.891 2.505 1.00 0.00 C ATOM 1702 CD1 ILE A 108 6.938 -13.131 2.099 1.00 0.00 C ATOM 0 H ILE A 108 10.783 -13.417 3.316 1.00 0.00 H new ATOM 0 HA ILE A 108 10.017 -11.135 5.014 1.00 0.00 H new ATOM 0 HB ILE A 108 7.735 -11.485 4.126 1.00 0.00 H new ATOM 0 HG12 ILE A 108 9.004 -13.598 2.350 1.00 0.00 H new ATOM 0 HG13 ILE A 108 8.011 -13.950 3.751 1.00 0.00 H new ATOM 0 HG21 ILE A 108 8.157 -10.755 1.812 1.00 0.00 H new ATOM 0 HG22 ILE A 108 9.235 -9.935 2.967 1.00 0.00 H new ATOM 0 HG23 ILE A 108 9.854 -11.268 1.963 1.00 0.00 H new ATOM 0 HD11 ILE A 108 6.707 -14.114 1.688 1.00 0.00 H new ATOM 0 HD12 ILE A 108 6.101 -12.785 2.706 1.00 0.00 H new ATOM 0 HD13 ILE A 108 7.110 -12.428 1.284 1.00 0.00 H new ATOM 1714 N LYS A 109 9.989 -14.177 5.795 1.00 0.00 N ATOM 1715 CA LYS A 109 9.662 -15.171 6.810 1.00 0.00 C ATOM 1716 C LYS A 109 9.730 -14.565 8.208 1.00 0.00 C ATOM 1717 O LYS A 109 9.136 -15.088 9.151 1.00 0.00 O ATOM 1718 CB LYS A 109 10.618 -16.363 6.713 1.00 0.00 C ATOM 1719 CG LYS A 109 10.133 -17.594 7.458 1.00 0.00 C ATOM 1720 CD LYS A 109 8.981 -18.268 6.732 1.00 0.00 C ATOM 1721 CE LYS A 109 8.035 -18.955 7.705 1.00 0.00 C ATOM 1722 NZ LYS A 109 7.763 -20.365 7.312 1.00 0.00 N ATOM 0 H LYS A 109 10.779 -14.426 5.200 1.00 0.00 H new ATOM 0 HA LYS A 109 8.643 -15.514 6.631 1.00 0.00 H new ATOM 0 HB2 LYS A 109 10.762 -16.618 5.663 1.00 0.00 H new ATOM 0 HB3 LYS A 109 11.591 -16.070 7.107 1.00 0.00 H new ATOM 0 HG2 LYS A 109 10.956 -18.300 7.571 1.00 0.00 H new ATOM 0 HG3 LYS A 109 9.816 -17.311 8.462 1.00 0.00 H new ATOM 0 HD2 LYS A 109 8.432 -17.527 6.151 1.00 0.00 H new ATOM 0 HD3 LYS A 109 9.373 -19.000 6.026 1.00 0.00 H new ATOM 0 HE2 LYS A 109 8.465 -18.934 8.706 1.00 0.00 H new ATOM 0 HE3 LYS A 109 7.096 -18.403 7.750 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 7.364 -20.880 8.122 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 7.085 -20.381 6.524 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 8.650 -20.820 7.015 1.00 0.00 H new ATOM 1736 N ASP A 110 10.455 -13.459 8.333 1.00 0.00 N ATOM 1737 CA ASP A 110 10.598 -12.780 9.616 1.00 0.00 C ATOM 1738 C ASP A 110 9.383 -11.904 9.905 1.00 0.00 C ATOM 1739 O ASP A 110 9.127 -11.539 11.053 1.00 0.00 O ATOM 1740 CB ASP A 110 11.869 -11.930 9.628 1.00 0.00 C ATOM 1741 CG ASP A 110 12.105 -11.260 10.968 1.00 0.00 C ATOM 1742 OD1 ASP A 110 11.681 -11.826 11.997 1.00 0.00 O ATOM 1743 OD2 ASP A 110 12.714 -10.170 10.987 1.00 0.00 O ATOM 0 H ASP A 110 10.953 -13.014 7.562 1.00 0.00 H new ATOM 0 HA ASP A 110 10.670 -13.539 10.395 1.00 0.00 H new ATOM 0 HB2 ASP A 110 12.725 -12.559 9.384 1.00 0.00 H new ATOM 0 HB3 ASP A 110 11.801 -11.168 8.851 1.00 0.00 H new ATOM 1748 N TYR A 111 8.638 -11.570 8.857 1.00 0.00 N ATOM 1749 CA TYR A 111 7.452 -10.734 8.998 1.00 0.00 C ATOM 1750 C TYR A 111 6.236 -11.403 8.364 1.00 0.00 C ATOM 1751 O TYR A 111 5.464 -10.765 7.648 1.00 0.00 O ATOM 1752 CB TYR A 111 7.687 -9.365 8.356 1.00 0.00 C ATOM 1753 CG TYR A 111 9.027 -8.757 8.702 1.00 0.00 C ATOM 1754 CD1 TYR A 111 9.171 -7.929 9.809 1.00 0.00 C ATOM 1755 CD2 TYR A 111 10.149 -9.008 7.922 1.00 0.00 C ATOM 1756 CE1 TYR A 111 10.393 -7.370 10.129 1.00 0.00 C ATOM 1757 CE2 TYR A 111 11.375 -8.454 8.235 1.00 0.00 C ATOM 1758 CZ TYR A 111 11.492 -7.636 9.340 1.00 0.00 C ATOM 1759 OH TYR A 111 12.712 -7.082 9.654 1.00 0.00 O ATOM 0 H TYR A 111 8.835 -11.865 7.901 1.00 0.00 H new ATOM 0 HA TYR A 111 7.258 -10.600 10.062 1.00 0.00 H new ATOM 0 HB2 TYR A 111 7.610 -9.463 7.273 1.00 0.00 H new ATOM 0 HB3 TYR A 111 6.896 -8.684 8.671 1.00 0.00 H new ATOM 0 HD1 TYR A 111 8.313 -7.719 10.430 1.00 0.00 H new ATOM 0 HD2 TYR A 111 10.061 -9.647 7.056 1.00 0.00 H new ATOM 0 HE1 TYR A 111 10.487 -6.728 10.992 1.00 0.00 H new ATOM 0 HE2 TYR A 111 12.237 -8.660 7.618 1.00 0.00 H new ATOM 0 HH TYR A 111 13.381 -7.370 8.998 1.00 0.00 H new ATOM 1769 N VAL A 112 6.071 -12.694 8.634 1.00 0.00 N ATOM 1770 CA VAL A 112 4.949 -13.451 8.093 1.00 0.00 C ATOM 1771 C VAL A 112 3.966 -13.839 9.192 1.00 0.00 C ATOM 1772 O VAL A 112 4.192 -14.795 9.934 1.00 0.00 O ATOM 1773 CB VAL A 112 5.427 -14.726 7.374 1.00 0.00 C ATOM 1774 CG1 VAL A 112 4.291 -15.731 7.258 1.00 0.00 C ATOM 1775 CG2 VAL A 112 5.990 -14.385 6.003 1.00 0.00 C ATOM 0 H VAL A 112 6.701 -13.237 9.224 1.00 0.00 H new ATOM 0 HA VAL A 112 4.448 -12.803 7.374 1.00 0.00 H new ATOM 0 HB VAL A 112 6.222 -15.179 7.965 1.00 0.00 H new ATOM 0 HG11 VAL A 112 4.647 -16.626 6.747 1.00 0.00 H new ATOM 0 HG12 VAL A 112 3.938 -15.998 8.254 1.00 0.00 H new ATOM 0 HG13 VAL A 112 3.472 -15.290 6.689 1.00 0.00 H new ATOM 0 HG21 VAL A 112 6.323 -15.298 5.509 1.00 0.00 H new ATOM 0 HG22 VAL A 112 5.217 -13.908 5.401 1.00 0.00 H new ATOM 0 HG23 VAL A 112 6.834 -13.705 6.115 1.00 0.00 H new ATOM 1910 N ILE A 122 -5.115 1.096 14.546 1.00 0.00 N ATOM 1911 CA ILE A 122 -6.484 0.767 14.169 1.00 0.00 C ATOM 1912 C ILE A 122 -7.479 1.721 14.821 1.00 0.00 C ATOM 1913 O ILE A 122 -7.297 2.135 15.965 1.00 0.00 O ATOM 1914 CB ILE A 122 -6.844 -0.679 14.560 1.00 0.00 C ATOM 1915 CG1 ILE A 122 -5.911 -1.667 13.858 1.00 0.00 C ATOM 1916 CG2 ILE A 122 -8.296 -0.975 14.215 1.00 0.00 C ATOM 1917 CD1 ILE A 122 -6.078 -3.095 14.329 1.00 0.00 C ATOM 0 HA ILE A 122 -6.545 0.868 13.085 1.00 0.00 H new ATOM 0 HB ILE A 122 -6.717 -0.791 15.637 1.00 0.00 H new ATOM 0 HG12 ILE A 122 -6.091 -1.624 12.784 1.00 0.00 H new ATOM 0 HG13 ILE A 122 -4.879 -1.358 14.021 1.00 0.00 H new ATOM 0 HG21 ILE A 122 -8.535 -2.000 14.497 1.00 0.00 H new ATOM 0 HG22 ILE A 122 -8.946 -0.288 14.757 1.00 0.00 H new ATOM 0 HG23 ILE A 122 -8.448 -0.849 13.143 1.00 0.00 H new ATOM 0 HD11 ILE A 122 -5.385 -3.740 13.788 1.00 0.00 H new ATOM 0 HD12 ILE A 122 -5.869 -3.153 15.397 1.00 0.00 H new ATOM 0 HD13 ILE A 122 -7.100 -3.423 14.141 1.00 0.00 H new ATOM 1929 N GLU A 123 -8.532 2.063 14.086 1.00 0.00 N ATOM 1930 CA GLU A 123 -9.557 2.967 14.594 1.00 0.00 C ATOM 1931 C GLU A 123 -8.971 4.347 14.881 1.00 0.00 C ATOM 1932 O GLU A 123 -9.572 5.153 15.590 1.00 0.00 O ATOM 1933 CB GLU A 123 -10.188 2.395 15.865 1.00 0.00 C ATOM 1934 CG GLU A 123 -11.560 1.781 15.639 1.00 0.00 C ATOM 1935 CD GLU A 123 -12.666 2.554 16.329 1.00 0.00 C ATOM 1936 OE1 GLU A 123 -13.602 2.999 15.631 1.00 0.00 O ATOM 1937 OE2 GLU A 123 -12.597 2.715 17.565 1.00 0.00 O ATOM 0 H GLU A 123 -8.698 1.728 13.137 1.00 0.00 H new ATOM 0 HA GLU A 123 -10.327 3.070 13.829 1.00 0.00 H new ATOM 0 HB2 GLU A 123 -9.524 1.637 16.281 1.00 0.00 H new ATOM 0 HB3 GLU A 123 -10.272 3.188 16.608 1.00 0.00 H new ATOM 0 HG2 GLU A 123 -11.764 1.740 14.569 1.00 0.00 H new ATOM 0 HG3 GLU A 123 -11.558 0.754 16.003 1.00 0.00 H new ATOM 1944 N ALA A 124 -7.793 4.610 14.325 1.00 0.00 N ATOM 1945 CA ALA A 124 -7.126 5.892 14.519 1.00 0.00 C ATOM 1946 C ALA A 124 -7.392 6.832 13.348 1.00 0.00 C ATOM 1947 O ALA A 124 -7.689 8.012 13.540 1.00 0.00 O ATOM 1948 CB ALA A 124 -5.630 5.686 14.703 1.00 0.00 C ATOM 0 H ALA A 124 -7.281 3.953 13.737 1.00 0.00 H new ATOM 0 HA ALA A 124 -7.532 6.352 15.420 1.00 0.00 H new ATOM 0 HB1 ALA A 124 -5.145 6.651 14.847 1.00 0.00 H new ATOM 0 HB2 ALA A 124 -5.454 5.058 15.576 1.00 0.00 H new ATOM 0 HB3 ALA A 124 -5.218 5.201 13.818 1.00 0.00 H new ATOM 1954 N LYS A 125 -7.284 6.303 12.134 1.00 0.00 N ATOM 1955 CA LYS A 125 -7.514 7.094 10.931 1.00 0.00 C ATOM 1956 C LYS A 125 -9.006 7.263 10.667 1.00 0.00 C ATOM 1957 O LYS A 125 -9.436 8.263 10.092 1.00 0.00 O ATOM 1958 CB LYS A 125 -6.843 6.432 9.725 1.00 0.00 C ATOM 1959 CG LYS A 125 -6.577 7.389 8.575 1.00 0.00 C ATOM 1960 CD LYS A 125 -5.102 7.431 8.215 1.00 0.00 C ATOM 1961 CE LYS A 125 -4.678 6.184 7.453 1.00 0.00 C ATOM 1962 NZ LYS A 125 -3.451 6.419 6.644 1.00 0.00 N ATOM 0 H LYS A 125 -7.038 5.329 11.957 1.00 0.00 H new ATOM 0 HA LYS A 125 -7.077 8.081 11.086 1.00 0.00 H new ATOM 0 HB2 LYS A 125 -5.900 5.988 10.043 1.00 0.00 H new ATOM 0 HB3 LYS A 125 -7.475 5.618 9.370 1.00 0.00 H new ATOM 0 HG2 LYS A 125 -7.156 7.083 7.704 1.00 0.00 H new ATOM 0 HG3 LYS A 125 -6.915 8.389 8.847 1.00 0.00 H new ATOM 0 HD2 LYS A 125 -4.899 8.315 7.610 1.00 0.00 H new ATOM 0 HD3 LYS A 125 -4.507 7.523 9.124 1.00 0.00 H new ATOM 0 HE2 LYS A 125 -4.499 5.372 8.157 1.00 0.00 H new ATOM 0 HE3 LYS A 125 -5.489 5.865 6.798 1.00 0.00 H new ATOM 0 HZ1 LYS A 125 -3.195 5.546 6.140 1.00 0.00 H new ATOM 0 HZ2 LYS A 125 -3.630 7.177 5.955 1.00 0.00 H new ATOM 0 HZ3 LYS A 125 -2.670 6.699 7.271 1.00 0.00 H new ATOM 1976 N VAL A 126 -9.793 6.279 11.091 1.00 0.00 N ATOM 1977 CA VAL A 126 -11.238 6.320 10.903 1.00 0.00 C ATOM 1978 C VAL A 126 -11.884 7.342 11.832 1.00 0.00 C ATOM 1979 O VAL A 126 -12.939 7.897 11.523 1.00 0.00 O ATOM 1980 CB VAL A 126 -11.876 4.940 11.153 1.00 0.00 C ATOM 1981 CG1 VAL A 126 -13.386 5.012 10.986 1.00 0.00 C ATOM 1982 CG2 VAL A 126 -11.277 3.900 10.218 1.00 0.00 C ATOM 0 H VAL A 126 -9.454 5.443 11.567 1.00 0.00 H new ATOM 0 HA VAL A 126 -11.414 6.611 9.868 1.00 0.00 H new ATOM 0 HB VAL A 126 -11.662 4.640 12.179 1.00 0.00 H new ATOM 0 HG11 VAL A 126 -13.819 4.028 11.166 1.00 0.00 H new ATOM 0 HG12 VAL A 126 -13.797 5.726 11.699 1.00 0.00 H new ATOM 0 HG13 VAL A 126 -13.625 5.333 9.972 1.00 0.00 H new ATOM 0 HG21 VAL A 126 -11.739 2.931 10.408 1.00 0.00 H new ATOM 0 HG22 VAL A 126 -11.459 4.192 9.184 1.00 0.00 H new ATOM 0 HG23 VAL A 126 -10.203 3.830 10.391 1.00 0.00 H new ATOM 1992 N ARG A 127 -11.245 7.586 12.971 1.00 0.00 N ATOM 1993 CA ARG A 127 -11.758 8.541 13.946 1.00 0.00 C ATOM 1994 C ARG A 127 -11.524 9.974 13.478 1.00 0.00 C ATOM 1995 O ARG A 127 -12.266 10.885 13.843 1.00 0.00 O ATOM 1996 CB ARG A 127 -11.092 8.322 15.305 1.00 0.00 C ATOM 1997 CG ARG A 127 -11.939 7.516 16.276 1.00 0.00 C ATOM 1998 CD ARG A 127 -11.632 7.882 17.720 1.00 0.00 C ATOM 1999 NE ARG A 127 -11.562 6.703 18.580 1.00 0.00 N ATOM 2000 CZ ARG A 127 -11.182 6.743 19.852 1.00 0.00 C ATOM 2001 NH1 ARG A 127 -10.840 7.897 20.409 1.00 0.00 N ATOM 2002 NH2 ARG A 127 -11.144 5.628 20.570 1.00 0.00 N ATOM 0 H ARG A 127 -10.371 7.136 13.242 1.00 0.00 H new ATOM 0 HA ARG A 127 -12.831 8.380 14.045 1.00 0.00 H new ATOM 0 HB2 ARG A 127 -10.141 7.811 15.156 1.00 0.00 H new ATOM 0 HB3 ARG A 127 -10.867 9.291 15.750 1.00 0.00 H new ATOM 0 HG2 ARG A 127 -12.995 7.692 16.072 1.00 0.00 H new ATOM 0 HG3 ARG A 127 -11.757 6.452 16.123 1.00 0.00 H new ATOM 0 HD2 ARG A 127 -10.685 8.420 17.764 1.00 0.00 H new ATOM 0 HD3 ARG A 127 -12.401 8.558 18.094 1.00 0.00 H new ATOM 0 HE ARG A 127 -11.819 5.800 18.182 1.00 0.00 H new ATOM 0 HH11 ARG A 127 -10.868 8.756 19.860 1.00 0.00 H new ATOM 0 HH12 ARG A 127 -10.549 7.925 21.386 1.00 0.00 H new ATOM 0 HH21 ARG A 127 -11.407 4.739 20.145 1.00 0.00 H new ATOM 0 HH22 ARG A 127 -10.852 5.660 21.547 1.00 0.00 H new ATOM 2016 N MET A 128 -10.487 10.165 12.669 1.00 0.00 N ATOM 2017 CA MET A 128 -10.156 11.487 12.150 1.00 0.00 C ATOM 2018 C MET A 128 -10.771 11.700 10.771 1.00 0.00 C ATOM 2019 O MET A 128 -11.181 12.810 10.428 1.00 0.00 O ATOM 2020 CB MET A 128 -8.638 11.665 12.078 1.00 0.00 C ATOM 2021 CG MET A 128 -7.929 10.539 11.343 1.00 0.00 C ATOM 2022 SD MET A 128 -6.195 10.906 11.017 1.00 0.00 S ATOM 2023 CE MET A 128 -5.712 11.664 12.567 1.00 0.00 C ATOM 0 H MET A 128 -9.862 9.421 12.359 1.00 0.00 H new ATOM 0 HA MET A 128 -10.570 12.231 12.831 1.00 0.00 H new ATOM 0 HB2 MET A 128 -8.414 12.609 11.582 1.00 0.00 H new ATOM 0 HB3 MET A 128 -8.240 11.734 13.090 1.00 0.00 H new ATOM 0 HG2 MET A 128 -7.998 9.625 11.933 1.00 0.00 H new ATOM 0 HG3 MET A 128 -8.440 10.348 10.399 1.00 0.00 H new ATOM 0 HE1 MET A 128 -4.625 11.688 12.637 1.00 0.00 H new ATOM 0 HE2 MET A 128 -6.101 12.681 12.611 1.00 0.00 H new ATOM 0 HE3 MET A 128 -6.116 11.084 13.397 1.00 0.00 H new ATOM 2033 N ARG A 129 -10.833 10.631 9.984 1.00 0.00 N ATOM 2034 CA ARG A 129 -11.397 10.702 8.641 1.00 0.00 C ATOM 2035 C ARG A 129 -12.914 10.851 8.696 1.00 0.00 C ATOM 2036 O ARG A 129 -13.529 11.392 7.777 1.00 0.00 O ATOM 2037 CB ARG A 129 -11.025 9.452 7.842 1.00 0.00 C ATOM 2038 CG ARG A 129 -9.620 9.495 7.263 1.00 0.00 C ATOM 2039 CD ARG A 129 -9.368 8.323 6.327 1.00 0.00 C ATOM 2040 NE ARG A 129 -8.440 8.669 5.254 1.00 0.00 N ATOM 2041 CZ ARG A 129 -8.765 9.442 4.223 1.00 0.00 C ATOM 2042 NH1 ARG A 129 -9.987 9.946 4.127 1.00 0.00 N ATOM 2043 NH2 ARG A 129 -7.865 9.712 3.286 1.00 0.00 N ATOM 0 H ARG A 129 -10.500 9.705 10.253 1.00 0.00 H new ATOM 0 HA ARG A 129 -10.981 11.579 8.145 1.00 0.00 H new ATOM 0 HB2 ARG A 129 -11.116 8.578 8.487 1.00 0.00 H new ATOM 0 HB3 ARG A 129 -11.740 9.324 7.029 1.00 0.00 H new ATOM 0 HG2 ARG A 129 -9.476 10.431 6.723 1.00 0.00 H new ATOM 0 HG3 ARG A 129 -8.891 9.479 8.073 1.00 0.00 H new ATOM 0 HD2 ARG A 129 -8.967 7.484 6.896 1.00 0.00 H new ATOM 0 HD3 ARG A 129 -10.313 7.993 5.896 1.00 0.00 H new ATOM 0 HE ARG A 129 -7.491 8.297 5.298 1.00 0.00 H new ATOM 0 HH11 ARG A 129 -10.681 9.741 4.846 1.00 0.00 H new ATOM 0 HH12 ARG A 129 -10.233 10.539 3.334 1.00 0.00 H new ATOM 0 HH21 ARG A 129 -6.923 9.326 3.357 1.00 0.00 H new ATOM 0 HH22 ARG A 129 -8.115 10.305 2.495 1.00 0.00 H new ATOM 2057 N SER A 130 -13.513 10.367 9.780 1.00 0.00 N ATOM 2058 CA SER A 130 -14.958 10.442 9.953 1.00 0.00 C ATOM 2059 C SER A 130 -15.328 11.511 10.977 1.00 0.00 C ATOM 2060 O SER A 130 -16.247 11.328 11.777 1.00 0.00 O ATOM 2061 CB SER A 130 -15.512 9.086 10.393 1.00 0.00 C ATOM 2062 OG SER A 130 -14.993 8.039 9.591 1.00 0.00 O ATOM 0 H SER A 130 -13.019 9.919 10.552 1.00 0.00 H new ATOM 0 HA SER A 130 -15.400 10.713 8.994 1.00 0.00 H new ATOM 0 HB2 SER A 130 -15.259 8.908 11.438 1.00 0.00 H new ATOM 0 HB3 SER A 130 -16.600 9.095 10.326 1.00 0.00 H new ATOM 0 HG SER A 130 -14.169 7.695 9.995 1.00 0.00 H new