USER MOD reduce.3.24.130724 H: found=0, std=0, add=724, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 722 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 76 GLN : amide:sc= -0.306 X(o=-0.31,f=0) USER MOD Set 1.2: A 81 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 30 HIS : no HD1:sc= -0.214 K(o=-3.5,f=-4.2) USER MOD Set 2.2: A 41 MET CE :methyl -168:sc= -3.26 (180deg=-4.25!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 47:sc= 0.363 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ -161:sc= -0.0526 (180deg=-0.393) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 ASN : amide:sc= -0.24 K(o=-0.24,f=-1.2!) USER MOD Single : A 25 GLN : amide:sc= -2.94! C(o=-2.9!,f=-8.6!) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 GLN : amide:sc= -1.2 X(o=-1.2,f=-0.82) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 GLN : amide:sc= -0.922 K(o=-0.92,f=-0.26) USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ -109:sc= -1.64 (180deg=-3.52!) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 GLN : amide:sc= -0.24 X(o=-0.24,f=-0.027) USER MOD Single : A 67 GLN : amide:sc= -3.18! C(o=-3.2!,f=-3.2!) USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 TYR OH : rot 180:sc= -0.161 USER MOD Single : A 77 GLN : amide:sc= -0.406 K(o=-0.41,f=-1.5) USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ 164:sc= -0.0214 (180deg=-0.226) USER MOD Single : A 84 CYS SG : rot 92:sc= 0.138 USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 14.518 -11.603 -6.898 1.00 0.00 N ATOM 2 CA GLY A 1 14.566 -13.015 -7.234 1.00 0.00 C ATOM 3 C GLY A 1 14.944 -13.880 -6.048 1.00 0.00 C ATOM 4 O GLY A 1 16.044 -14.430 -5.997 1.00 0.00 O ATOM 0 H1 GLY A 1 14.255 -11.054 -7.741 1.00 0.00 H new ATOM 0 H2 GLY A 1 13.812 -11.448 -6.150 1.00 0.00 H new ATOM 0 H3 GLY A 1 15.452 -11.294 -6.561 1.00 0.00 H new ATOM 0 HA2 GLY A 1 13.593 -13.328 -7.613 1.00 0.00 H new ATOM 0 HA3 GLY A 1 15.286 -13.170 -8.037 1.00 0.00 H new ATOM 8 N SER A 2 14.030 -14.000 -5.091 1.00 0.00 N ATOM 9 CA SER A 2 14.275 -14.800 -3.897 1.00 0.00 C ATOM 10 C SER A 2 13.241 -15.914 -3.767 1.00 0.00 C ATOM 11 O SER A 2 12.169 -15.854 -4.369 1.00 0.00 O ATOM 12 CB SER A 2 14.246 -13.915 -2.649 1.00 0.00 C ATOM 13 OG SER A 2 15.491 -13.266 -2.455 1.00 0.00 O ATOM 0 H SER A 2 13.113 -13.554 -5.119 1.00 0.00 H new ATOM 0 HA SER A 2 15.262 -15.253 -3.990 1.00 0.00 H new ATOM 0 HB2 SER A 2 13.455 -13.171 -2.745 1.00 0.00 H new ATOM 0 HB3 SER A 2 14.008 -14.521 -1.775 1.00 0.00 H new ATOM 0 HG SER A 2 15.446 -12.705 -1.652 1.00 0.00 H new ATOM 19 N SER A 3 13.572 -16.931 -2.979 1.00 0.00 N ATOM 20 CA SER A 3 12.674 -18.062 -2.773 1.00 0.00 C ATOM 21 C SER A 3 11.607 -17.727 -1.735 1.00 0.00 C ATOM 22 O SER A 3 11.900 -17.593 -0.547 1.00 0.00 O ATOM 23 CB SER A 3 13.465 -19.294 -2.328 1.00 0.00 C ATOM 24 OG SER A 3 14.282 -18.999 -1.208 1.00 0.00 O ATOM 0 H SER A 3 14.455 -16.996 -2.473 1.00 0.00 H new ATOM 0 HA SER A 3 12.180 -18.279 -3.720 1.00 0.00 H new ATOM 0 HB2 SER A 3 12.776 -20.101 -2.077 1.00 0.00 H new ATOM 0 HB3 SER A 3 14.085 -19.649 -3.151 1.00 0.00 H new ATOM 0 HG SER A 3 13.759 -18.506 -0.542 1.00 0.00 H new ATOM 30 N GLY A 4 10.366 -17.593 -2.193 1.00 0.00 N ATOM 31 CA GLY A 4 9.273 -17.273 -1.292 1.00 0.00 C ATOM 32 C GLY A 4 8.223 -16.395 -1.943 1.00 0.00 C ATOM 33 O GLY A 4 8.156 -15.195 -1.676 1.00 0.00 O ATOM 0 H GLY A 4 10.098 -17.700 -3.171 1.00 0.00 H new ATOM 0 HA2 GLY A 4 8.807 -18.197 -0.948 1.00 0.00 H new ATOM 0 HA3 GLY A 4 9.669 -16.768 -0.411 1.00 0.00 H new ATOM 37 N SER A 5 7.402 -16.992 -2.801 1.00 0.00 N ATOM 38 CA SER A 5 6.355 -16.255 -3.496 1.00 0.00 C ATOM 39 C SER A 5 5.094 -17.103 -3.634 1.00 0.00 C ATOM 40 O SER A 5 5.155 -18.266 -4.030 1.00 0.00 O ATOM 41 CB SER A 5 6.841 -15.816 -4.878 1.00 0.00 C ATOM 42 OG SER A 5 6.966 -16.925 -5.751 1.00 0.00 O ATOM 0 H SER A 5 7.442 -17.985 -3.031 1.00 0.00 H new ATOM 0 HA SER A 5 6.115 -15.371 -2.906 1.00 0.00 H new ATOM 0 HB2 SER A 5 6.142 -15.094 -5.300 1.00 0.00 H new ATOM 0 HB3 SER A 5 7.803 -15.312 -4.785 1.00 0.00 H new ATOM 0 HG SER A 5 7.276 -16.617 -6.628 1.00 0.00 H new ATOM 48 N SER A 6 3.951 -16.510 -3.303 1.00 0.00 N ATOM 49 CA SER A 6 2.675 -17.211 -3.386 1.00 0.00 C ATOM 50 C SER A 6 1.517 -16.270 -3.071 1.00 0.00 C ATOM 51 O SER A 6 1.639 -15.373 -2.237 1.00 0.00 O ATOM 52 CB SER A 6 2.657 -18.399 -2.421 1.00 0.00 C ATOM 53 OG SER A 6 1.562 -19.257 -2.688 1.00 0.00 O ATOM 0 H SER A 6 3.883 -15.547 -2.975 1.00 0.00 H new ATOM 0 HA SER A 6 2.556 -17.578 -4.406 1.00 0.00 H new ATOM 0 HB2 SER A 6 3.589 -18.957 -2.508 1.00 0.00 H new ATOM 0 HB3 SER A 6 2.597 -18.037 -1.395 1.00 0.00 H new ATOM 0 HG SER A 6 1.574 -20.009 -2.059 1.00 0.00 H new ATOM 59 N GLY A 7 0.390 -16.480 -3.746 1.00 0.00 N ATOM 60 CA GLY A 7 -0.775 -15.644 -3.526 1.00 0.00 C ATOM 61 C GLY A 7 -0.713 -14.346 -4.307 1.00 0.00 C ATOM 62 O GLY A 7 0.292 -14.027 -4.943 1.00 0.00 O ATOM 0 H GLY A 7 0.264 -17.215 -4.442 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -1.672 -16.194 -3.811 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -0.863 -15.421 -2.463 1.00 0.00 H new ATOM 66 N PRO A 8 -1.808 -13.573 -4.266 1.00 0.00 N ATOM 67 CA PRO A 8 -1.899 -12.291 -4.971 1.00 0.00 C ATOM 68 C PRO A 8 -1.003 -11.224 -4.352 1.00 0.00 C ATOM 69 O PRO A 8 -0.814 -11.187 -3.136 1.00 0.00 O ATOM 70 CB PRO A 8 -3.373 -11.906 -4.819 1.00 0.00 C ATOM 71 CG PRO A 8 -3.822 -12.606 -3.583 1.00 0.00 C ATOM 72 CD PRO A 8 -3.042 -13.891 -3.527 1.00 0.00 C ATOM 0 HA PRO A 8 -1.570 -12.372 -6.007 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -3.493 -10.826 -4.728 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -3.955 -12.220 -5.685 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -3.634 -11.996 -2.699 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -4.894 -12.801 -3.613 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -2.830 -14.188 -2.500 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -3.588 -14.713 -3.991 1.00 0.00 H new ATOM 80 N LYS A 9 -0.455 -10.357 -5.196 1.00 0.00 N ATOM 81 CA LYS A 9 0.420 -9.287 -4.732 1.00 0.00 C ATOM 82 C LYS A 9 -0.391 -8.064 -4.311 1.00 0.00 C ATOM 83 O LYS A 9 -1.003 -7.398 -5.145 1.00 0.00 O ATOM 84 CB LYS A 9 1.414 -8.900 -5.830 1.00 0.00 C ATOM 85 CG LYS A 9 2.628 -8.147 -5.315 1.00 0.00 C ATOM 86 CD LYS A 9 3.409 -7.505 -6.449 1.00 0.00 C ATOM 87 CE LYS A 9 4.456 -6.534 -5.924 1.00 0.00 C ATOM 88 NZ LYS A 9 3.836 -5.363 -5.245 1.00 0.00 N ATOM 0 H LYS A 9 -0.601 -10.374 -6.205 1.00 0.00 H new ATOM 0 HA LYS A 9 0.970 -9.652 -3.865 1.00 0.00 H new ATOM 0 HB2 LYS A 9 1.747 -9.803 -6.341 1.00 0.00 H new ATOM 0 HB3 LYS A 9 0.903 -8.285 -6.571 1.00 0.00 H new ATOM 0 HG2 LYS A 9 2.309 -7.378 -4.611 1.00 0.00 H new ATOM 0 HG3 LYS A 9 3.276 -8.831 -4.767 1.00 0.00 H new ATOM 0 HD2 LYS A 9 3.895 -8.280 -7.042 1.00 0.00 H new ATOM 0 HD3 LYS A 9 2.723 -6.979 -7.113 1.00 0.00 H new ATOM 0 HE2 LYS A 9 5.114 -7.052 -5.226 1.00 0.00 H new ATOM 0 HE3 LYS A 9 5.077 -6.188 -6.750 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 4.527 -4.588 -5.189 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 3.005 -5.048 -5.786 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 3.542 -5.634 -4.285 1.00 0.00 H new ATOM 102 N ALA A 10 -0.388 -7.776 -3.014 1.00 0.00 N ATOM 103 CA ALA A 10 -1.120 -6.632 -2.484 1.00 0.00 C ATOM 104 C ALA A 10 -0.778 -5.359 -3.251 1.00 0.00 C ATOM 105 O ALA A 10 0.353 -4.873 -3.222 1.00 0.00 O ATOM 106 CB ALA A 10 -0.822 -6.455 -1.003 1.00 0.00 C ATOM 0 H ALA A 10 0.113 -8.319 -2.311 1.00 0.00 H new ATOM 0 HA ALA A 10 -2.186 -6.824 -2.608 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -1.375 -5.597 -0.621 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -1.123 -7.352 -0.462 1.00 0.00 H new ATOM 0 HB3 ALA A 10 0.246 -6.289 -0.864 1.00 0.00 H new ATOM 112 N PRO A 11 -1.777 -4.805 -3.955 1.00 0.00 N ATOM 113 CA PRO A 11 -1.606 -3.581 -4.743 1.00 0.00 C ATOM 114 C PRO A 11 -1.410 -2.349 -3.865 1.00 0.00 C ATOM 115 O PRO A 11 -1.542 -2.418 -2.643 1.00 0.00 O ATOM 116 CB PRO A 11 -2.917 -3.477 -5.526 1.00 0.00 C ATOM 117 CG PRO A 11 -3.912 -4.218 -4.700 1.00 0.00 C ATOM 118 CD PRO A 11 -3.150 -5.331 -4.035 1.00 0.00 C ATOM 0 HA PRO A 11 -0.719 -3.624 -5.375 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -3.214 -2.437 -5.665 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -2.821 -3.916 -6.519 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -4.371 -3.562 -3.960 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -4.718 -4.612 -5.320 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -3.551 -5.558 -3.047 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -3.194 -6.252 -4.617 1.00 0.00 H new ATOM 126 N VAL A 12 -1.094 -1.222 -4.496 1.00 0.00 N ATOM 127 CA VAL A 12 -0.881 0.025 -3.772 1.00 0.00 C ATOM 128 C VAL A 12 -2.165 0.844 -3.701 1.00 0.00 C ATOM 129 O VAL A 12 -3.144 0.546 -4.385 1.00 0.00 O ATOM 130 CB VAL A 12 0.221 0.875 -4.432 1.00 0.00 C ATOM 131 CG1 VAL A 12 1.557 0.150 -4.382 1.00 0.00 C ATOM 132 CG2 VAL A 12 -0.156 1.217 -5.866 1.00 0.00 C ATOM 0 H VAL A 12 -0.980 -1.148 -5.507 1.00 0.00 H new ATOM 0 HA VAL A 12 -0.568 -0.243 -2.763 1.00 0.00 H new ATOM 0 HB VAL A 12 0.319 1.807 -3.875 1.00 0.00 H new ATOM 0 HG11 VAL A 12 2.323 0.766 -4.853 1.00 0.00 H new ATOM 0 HG12 VAL A 12 1.830 -0.038 -3.344 1.00 0.00 H new ATOM 0 HG13 VAL A 12 1.476 -0.798 -4.913 1.00 0.00 H new ATOM 0 HG21 VAL A 12 0.634 1.818 -6.317 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -0.284 0.298 -6.438 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -1.089 1.781 -5.872 1.00 0.00 H new ATOM 142 N THR A 13 -2.154 1.880 -2.867 1.00 0.00 N ATOM 143 CA THR A 13 -3.318 2.742 -2.705 1.00 0.00 C ATOM 144 C THR A 13 -3.217 3.974 -3.597 1.00 0.00 C ATOM 145 O THR A 13 -2.127 4.489 -3.843 1.00 0.00 O ATOM 146 CB THR A 13 -3.482 3.195 -1.241 1.00 0.00 C ATOM 147 OG1 THR A 13 -2.325 3.929 -0.823 1.00 0.00 O ATOM 148 CG2 THR A 13 -3.688 1.998 -0.326 1.00 0.00 C ATOM 0 H THR A 13 -1.352 2.142 -2.294 1.00 0.00 H new ATOM 0 HA THR A 13 -4.189 2.155 -2.996 1.00 0.00 H new ATOM 0 HB THR A 13 -4.361 3.837 -1.177 1.00 0.00 H new ATOM 0 HG1 THR A 13 -2.438 4.215 0.108 1.00 0.00 H new ATOM 0 HG21 THR A 13 -3.801 2.341 0.702 1.00 0.00 H new ATOM 0 HG22 THR A 13 -4.585 1.458 -0.629 1.00 0.00 H new ATOM 0 HG23 THR A 13 -2.825 1.335 -0.394 1.00 0.00 H new ATOM 156 N GLY A 14 -4.364 4.444 -4.081 1.00 0.00 N ATOM 157 CA GLY A 14 -4.382 5.613 -4.941 1.00 0.00 C ATOM 158 C GLY A 14 -3.335 6.638 -4.551 1.00 0.00 C ATOM 159 O GLY A 14 -2.730 7.276 -5.411 1.00 0.00 O ATOM 0 H GLY A 14 -5.280 4.036 -3.893 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -4.216 5.303 -5.973 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -5.369 6.074 -4.902 1.00 0.00 H new ATOM 163 N TYR A 15 -3.121 6.795 -3.249 1.00 0.00 N ATOM 164 CA TYR A 15 -2.143 7.752 -2.746 1.00 0.00 C ATOM 165 C TYR A 15 -0.732 7.368 -3.181 1.00 0.00 C ATOM 166 O TYR A 15 -0.016 8.169 -3.784 1.00 0.00 O ATOM 167 CB TYR A 15 -2.214 7.831 -1.220 1.00 0.00 C ATOM 168 CG TYR A 15 -1.021 8.518 -0.593 1.00 0.00 C ATOM 169 CD1 TYR A 15 -0.596 9.762 -1.042 1.00 0.00 C ATOM 170 CD2 TYR A 15 -0.321 7.923 0.450 1.00 0.00 C ATOM 171 CE1 TYR A 15 0.493 10.393 -0.472 1.00 0.00 C ATOM 172 CE2 TYR A 15 0.768 8.548 1.026 1.00 0.00 C ATOM 173 CZ TYR A 15 1.171 9.782 0.561 1.00 0.00 C ATOM 174 OH TYR A 15 2.256 10.407 1.132 1.00 0.00 O ATOM 0 H TYR A 15 -3.611 6.272 -2.524 1.00 0.00 H new ATOM 0 HA TYR A 15 -2.380 8.730 -3.165 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -3.121 8.363 -0.934 1.00 0.00 H new ATOM 0 HB3 TYR A 15 -2.296 6.822 -0.816 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -1.126 10.244 -1.850 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -0.634 6.956 0.816 1.00 0.00 H new ATOM 0 HE1 TYR A 15 0.811 11.360 -0.834 1.00 0.00 H new ATOM 0 HE2 TYR A 15 1.301 8.073 1.836 1.00 0.00 H new ATOM 0 HH TYR A 15 2.619 9.844 1.847 1.00 0.00 H new ATOM 184 N VAL A 16 -0.338 6.137 -2.872 1.00 0.00 N ATOM 185 CA VAL A 16 0.986 5.645 -3.233 1.00 0.00 C ATOM 186 C VAL A 16 1.131 5.512 -4.745 1.00 0.00 C ATOM 187 O VAL A 16 2.128 5.943 -5.323 1.00 0.00 O ATOM 188 CB VAL A 16 1.275 4.281 -2.578 1.00 0.00 C ATOM 189 CG1 VAL A 16 2.612 3.732 -3.053 1.00 0.00 C ATOM 190 CG2 VAL A 16 1.247 4.401 -1.062 1.00 0.00 C ATOM 0 H VAL A 16 -0.917 5.462 -2.372 1.00 0.00 H new ATOM 0 HA VAL A 16 1.706 6.376 -2.866 1.00 0.00 H new ATOM 0 HB VAL A 16 0.495 3.581 -2.879 1.00 0.00 H new ATOM 0 HG11 VAL A 16 2.798 2.768 -2.579 1.00 0.00 H new ATOM 0 HG12 VAL A 16 2.590 3.606 -4.135 1.00 0.00 H new ATOM 0 HG13 VAL A 16 3.407 4.428 -2.785 1.00 0.00 H new ATOM 0 HG21 VAL A 16 1.453 3.428 -0.616 1.00 0.00 H new ATOM 0 HG22 VAL A 16 2.004 5.116 -0.740 1.00 0.00 H new ATOM 0 HG23 VAL A 16 0.263 4.745 -0.742 1.00 0.00 H new ATOM 200 N ARG A 17 0.128 4.912 -5.378 1.00 0.00 N ATOM 201 CA ARG A 17 0.143 4.722 -6.823 1.00 0.00 C ATOM 202 C ARG A 17 0.668 5.968 -7.531 1.00 0.00 C ATOM 203 O ARG A 17 1.590 5.891 -8.345 1.00 0.00 O ATOM 204 CB ARG A 17 -1.261 4.388 -7.330 1.00 0.00 C ATOM 205 CG ARG A 17 -1.267 3.563 -8.608 1.00 0.00 C ATOM 206 CD ARG A 17 -2.549 3.772 -9.399 1.00 0.00 C ATOM 207 NE ARG A 17 -2.434 4.879 -10.345 1.00 0.00 N ATOM 208 CZ ARG A 17 -3.277 5.075 -11.353 1.00 0.00 C ATOM 209 NH1 ARG A 17 -4.292 4.243 -11.544 1.00 0.00 N ATOM 210 NH2 ARG A 17 -3.106 6.105 -12.171 1.00 0.00 N ATOM 0 H ARG A 17 -0.704 4.550 -4.913 1.00 0.00 H new ATOM 0 HA ARG A 17 0.810 3.890 -7.047 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -1.799 3.844 -6.554 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -1.806 5.316 -7.504 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -0.410 3.837 -9.223 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -1.158 2.507 -8.361 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -2.795 2.858 -9.939 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -3.372 3.967 -8.711 1.00 0.00 H new ATOM 0 HE ARG A 17 -1.664 5.538 -10.225 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -4.427 3.450 -10.916 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -4.938 4.396 -12.319 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -2.327 6.747 -12.026 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -3.754 6.255 -12.945 1.00 0.00 H new ATOM 224 N PHE A 18 0.077 7.115 -7.215 1.00 0.00 N ATOM 225 CA PHE A 18 0.483 8.377 -7.821 1.00 0.00 C ATOM 226 C PHE A 18 1.949 8.678 -7.519 1.00 0.00 C ATOM 227 O PHE A 18 2.689 9.147 -8.385 1.00 0.00 O ATOM 228 CB PHE A 18 -0.398 9.519 -7.311 1.00 0.00 C ATOM 229 CG PHE A 18 0.278 10.860 -7.345 1.00 0.00 C ATOM 230 CD1 PHE A 18 1.042 11.293 -6.272 1.00 0.00 C ATOM 231 CD2 PHE A 18 0.150 11.688 -8.449 1.00 0.00 C ATOM 232 CE1 PHE A 18 1.666 12.526 -6.300 1.00 0.00 C ATOM 233 CE2 PHE A 18 0.772 12.921 -8.482 1.00 0.00 C ATOM 234 CZ PHE A 18 1.530 13.342 -7.406 1.00 0.00 C ATOM 0 H PHE A 18 -0.685 7.197 -6.542 1.00 0.00 H new ATOM 0 HA PHE A 18 0.362 8.288 -8.901 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -1.306 9.563 -7.913 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -0.704 9.302 -6.288 1.00 0.00 H new ATOM 0 HD1 PHE A 18 1.151 10.659 -5.404 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -0.442 11.366 -9.293 1.00 0.00 H new ATOM 0 HE1 PHE A 18 2.259 12.851 -5.458 1.00 0.00 H new ATOM 0 HE2 PHE A 18 0.666 13.556 -9.349 1.00 0.00 H new ATOM 0 HZ PHE A 18 2.015 14.307 -7.430 1.00 0.00 H new ATOM 244 N LEU A 19 2.361 8.406 -6.286 1.00 0.00 N ATOM 245 CA LEU A 19 3.738 8.648 -5.869 1.00 0.00 C ATOM 246 C LEU A 19 4.711 7.812 -6.694 1.00 0.00 C ATOM 247 O LEU A 19 5.769 8.293 -7.096 1.00 0.00 O ATOM 248 CB LEU A 19 3.904 8.326 -4.382 1.00 0.00 C ATOM 249 CG LEU A 19 3.006 9.106 -3.422 1.00 0.00 C ATOM 250 CD1 LEU A 19 2.943 8.415 -2.068 1.00 0.00 C ATOM 251 CD2 LEU A 19 3.505 10.536 -3.270 1.00 0.00 C ATOM 0 H LEU A 19 1.762 8.018 -5.558 1.00 0.00 H new ATOM 0 HA LEU A 19 3.963 9.702 -6.034 1.00 0.00 H new ATOM 0 HB2 LEU A 19 3.718 7.262 -4.238 1.00 0.00 H new ATOM 0 HB3 LEU A 19 4.942 8.508 -4.105 1.00 0.00 H new ATOM 0 HG LEU A 19 1.999 9.135 -3.839 1.00 0.00 H new ATOM 0 HD11 LEU A 19 2.299 8.985 -1.398 1.00 0.00 H new ATOM 0 HD12 LEU A 19 2.540 7.410 -2.191 1.00 0.00 H new ATOM 0 HD13 LEU A 19 3.945 8.354 -1.643 1.00 0.00 H new ATOM 0 HD21 LEU A 19 2.854 11.077 -2.583 1.00 0.00 H new ATOM 0 HD22 LEU A 19 4.521 10.527 -2.876 1.00 0.00 H new ATOM 0 HD23 LEU A 19 3.497 11.029 -4.242 1.00 0.00 H new ATOM 263 N ASN A 20 4.345 6.559 -6.941 1.00 0.00 N ATOM 264 CA ASN A 20 5.185 5.656 -7.721 1.00 0.00 C ATOM 265 C ASN A 20 5.270 6.112 -9.174 1.00 0.00 C ATOM 266 O ASN A 20 6.291 5.920 -9.835 1.00 0.00 O ATOM 267 CB ASN A 20 4.637 4.230 -7.652 1.00 0.00 C ATOM 268 CG ASN A 20 5.126 3.481 -6.427 1.00 0.00 C ATOM 269 OD1 ASN A 20 6.257 3.669 -5.981 1.00 0.00 O ATOM 270 ND2 ASN A 20 4.271 2.626 -5.877 1.00 0.00 N ATOM 0 H ASN A 20 3.472 6.145 -6.613 1.00 0.00 H new ATOM 0 HA ASN A 20 6.188 5.673 -7.295 1.00 0.00 H new ATOM 0 HB2 ASN A 20 3.548 4.262 -7.644 1.00 0.00 H new ATOM 0 HB3 ASN A 20 4.933 3.686 -8.549 1.00 0.00 H new ATOM 0 HD21 ASN A 20 4.543 2.093 -5.051 1.00 0.00 H new ATOM 0 HD22 ASN A 20 3.343 2.502 -6.281 1.00 0.00 H new ATOM 277 N GLU A 21 4.191 6.715 -9.664 1.00 0.00 N ATOM 278 CA GLU A 21 4.146 7.197 -11.039 1.00 0.00 C ATOM 279 C GLU A 21 5.060 8.404 -11.225 1.00 0.00 C ATOM 280 O GLU A 21 5.856 8.455 -12.162 1.00 0.00 O ATOM 281 CB GLU A 21 2.711 7.566 -11.426 1.00 0.00 C ATOM 282 CG GLU A 21 2.465 7.562 -12.925 1.00 0.00 C ATOM 283 CD GLU A 21 2.531 6.169 -13.523 1.00 0.00 C ATOM 284 OE1 GLU A 21 2.034 5.223 -12.877 1.00 0.00 O ATOM 285 OE2 GLU A 21 3.079 6.025 -14.635 1.00 0.00 O ATOM 0 H GLU A 21 3.338 6.881 -9.130 1.00 0.00 H new ATOM 0 HA GLU A 21 4.497 6.395 -11.689 1.00 0.00 H new ATOM 0 HB2 GLU A 21 2.024 6.865 -10.952 1.00 0.00 H new ATOM 0 HB3 GLU A 21 2.480 8.555 -11.031 1.00 0.00 H new ATOM 0 HG2 GLU A 21 1.486 7.995 -13.130 1.00 0.00 H new ATOM 0 HG3 GLU A 21 3.204 8.198 -13.412 1.00 0.00 H new ATOM 292 N ARG A 22 4.941 9.374 -10.323 1.00 0.00 N ATOM 293 CA ARG A 22 5.755 10.581 -10.387 1.00 0.00 C ATOM 294 C ARG A 22 7.208 10.276 -10.036 1.00 0.00 C ATOM 295 O ARG A 22 8.130 10.866 -10.600 1.00 0.00 O ATOM 296 CB ARG A 22 5.202 11.645 -9.437 1.00 0.00 C ATOM 297 CG ARG A 22 3.703 11.856 -9.565 1.00 0.00 C ATOM 298 CD ARG A 22 3.368 12.808 -10.702 1.00 0.00 C ATOM 299 NE ARG A 22 3.339 12.128 -11.994 1.00 0.00 N ATOM 300 CZ ARG A 22 3.171 12.756 -13.151 1.00 0.00 C ATOM 301 NH1 ARG A 22 3.019 14.073 -13.179 1.00 0.00 N ATOM 302 NH2 ARG A 22 3.154 12.067 -14.286 1.00 0.00 N ATOM 0 H ARG A 22 4.288 9.347 -9.540 1.00 0.00 H new ATOM 0 HA ARG A 22 5.718 10.961 -11.408 1.00 0.00 H new ATOM 0 HB2 ARG A 22 5.434 11.359 -8.411 1.00 0.00 H new ATOM 0 HB3 ARG A 22 5.711 12.590 -9.628 1.00 0.00 H new ATOM 0 HG2 ARG A 22 3.213 10.897 -9.736 1.00 0.00 H new ATOM 0 HG3 ARG A 22 3.309 12.253 -8.629 1.00 0.00 H new ATOM 0 HD2 ARG A 22 2.399 13.271 -10.514 1.00 0.00 H new ATOM 0 HD3 ARG A 22 4.104 13.611 -10.731 1.00 0.00 H new ATOM 0 HE ARG A 22 3.454 11.115 -12.008 1.00 0.00 H new ATOM 0 HH11 ARG A 22 3.031 14.606 -12.310 1.00 0.00 H new ATOM 0 HH12 ARG A 22 2.890 14.553 -14.070 1.00 0.00 H new ATOM 0 HH21 ARG A 22 3.270 11.054 -14.269 1.00 0.00 H new ATOM 0 HH22 ARG A 22 3.025 12.551 -15.175 1.00 0.00 H new ATOM 316 N ARG A 23 7.405 9.352 -9.102 1.00 0.00 N ATOM 317 CA ARG A 23 8.746 8.970 -8.675 1.00 0.00 C ATOM 318 C ARG A 23 9.702 8.922 -9.863 1.00 0.00 C ATOM 319 O ARG A 23 10.910 9.092 -9.706 1.00 0.00 O ATOM 320 CB ARG A 23 8.713 7.608 -7.977 1.00 0.00 C ATOM 321 CG ARG A 23 10.092 7.061 -7.647 1.00 0.00 C ATOM 322 CD ARG A 23 10.634 6.199 -8.776 1.00 0.00 C ATOM 323 NE ARG A 23 10.182 4.814 -8.672 1.00 0.00 N ATOM 324 CZ ARG A 23 10.812 3.792 -9.241 1.00 0.00 C ATOM 325 NH1 ARG A 23 11.913 3.997 -9.949 1.00 0.00 N ATOM 326 NH2 ARG A 23 10.339 2.559 -9.102 1.00 0.00 N ATOM 0 H ARG A 23 6.653 8.854 -8.626 1.00 0.00 H new ATOM 0 HA ARG A 23 9.105 9.722 -7.973 1.00 0.00 H new ATOM 0 HB2 ARG A 23 8.136 7.694 -7.057 1.00 0.00 H new ATOM 0 HB3 ARG A 23 8.191 6.895 -8.615 1.00 0.00 H new ATOM 0 HG2 ARG A 23 10.777 7.888 -7.458 1.00 0.00 H new ATOM 0 HG3 ARG A 23 10.042 6.473 -6.731 1.00 0.00 H new ATOM 0 HD2 ARG A 23 10.316 6.613 -9.733 1.00 0.00 H new ATOM 0 HD3 ARG A 23 11.724 6.227 -8.762 1.00 0.00 H new ATOM 0 HE ARG A 23 9.337 4.621 -8.134 1.00 0.00 H new ATOM 0 HH11 ARG A 23 12.280 4.942 -10.059 1.00 0.00 H new ATOM 0 HH12 ARG A 23 12.394 3.210 -10.384 1.00 0.00 H new ATOM 0 HH21 ARG A 23 9.492 2.396 -8.558 1.00 0.00 H new ATOM 0 HH22 ARG A 23 10.823 1.775 -9.539 1.00 0.00 H new ATOM 340 N GLU A 24 9.150 8.688 -11.050 1.00 0.00 N ATOM 341 CA GLU A 24 9.955 8.616 -12.264 1.00 0.00 C ATOM 342 C GLU A 24 10.272 10.013 -12.790 1.00 0.00 C ATOM 343 O GLU A 24 11.434 10.356 -13.006 1.00 0.00 O ATOM 344 CB GLU A 24 9.226 7.809 -13.339 1.00 0.00 C ATOM 345 CG GLU A 24 9.907 7.847 -14.697 1.00 0.00 C ATOM 346 CD GLU A 24 10.964 6.771 -14.849 1.00 0.00 C ATOM 347 OE1 GLU A 24 10.663 5.596 -14.553 1.00 0.00 O ATOM 348 OE2 GLU A 24 12.093 7.105 -15.266 1.00 0.00 O ATOM 0 H GLU A 24 8.151 8.545 -11.196 1.00 0.00 H new ATOM 0 HA GLU A 24 10.892 8.117 -12.018 1.00 0.00 H new ATOM 0 HB2 GLU A 24 9.146 6.773 -13.011 1.00 0.00 H new ATOM 0 HB3 GLU A 24 8.210 8.190 -13.441 1.00 0.00 H new ATOM 0 HG2 GLU A 24 9.157 7.728 -15.479 1.00 0.00 H new ATOM 0 HG3 GLU A 24 10.366 8.825 -14.842 1.00 0.00 H new ATOM 355 N GLN A 25 9.231 10.814 -12.992 1.00 0.00 N ATOM 356 CA GLN A 25 9.399 12.173 -13.494 1.00 0.00 C ATOM 357 C GLN A 25 10.378 12.956 -12.627 1.00 0.00 C ATOM 358 O GLN A 25 11.167 13.756 -13.132 1.00 0.00 O ATOM 359 CB GLN A 25 8.049 12.892 -13.539 1.00 0.00 C ATOM 360 CG GLN A 25 7.673 13.558 -12.226 1.00 0.00 C ATOM 361 CD GLN A 25 6.381 14.346 -12.321 1.00 0.00 C ATOM 362 OE1 GLN A 25 5.545 14.089 -13.188 1.00 0.00 O ATOM 363 NE2 GLN A 25 6.208 15.312 -11.426 1.00 0.00 N ATOM 0 H GLN A 25 8.263 10.546 -12.816 1.00 0.00 H new ATOM 0 HA GLN A 25 9.805 12.114 -14.504 1.00 0.00 H new ATOM 0 HB2 GLN A 25 8.074 13.646 -14.326 1.00 0.00 H new ATOM 0 HB3 GLN A 25 7.273 12.175 -13.809 1.00 0.00 H new ATOM 0 HG2 GLN A 25 7.574 12.797 -11.452 1.00 0.00 H new ATOM 0 HG3 GLN A 25 8.479 14.224 -11.917 1.00 0.00 H new ATOM 0 HE21 GLN A 25 6.926 15.492 -10.724 1.00 0.00 H new ATOM 0 HE22 GLN A 25 5.357 15.874 -11.440 1.00 0.00 H new ATOM 372 N ILE A 26 10.322 12.721 -11.320 1.00 0.00 N ATOM 373 CA ILE A 26 11.206 13.405 -10.384 1.00 0.00 C ATOM 374 C ILE A 26 12.647 12.932 -10.542 1.00 0.00 C ATOM 375 O ILE A 26 13.583 13.728 -10.475 1.00 0.00 O ATOM 376 CB ILE A 26 10.762 13.181 -8.926 1.00 0.00 C ATOM 377 CG1 ILE A 26 9.289 13.560 -8.755 1.00 0.00 C ATOM 378 CG2 ILE A 26 11.635 13.987 -7.976 1.00 0.00 C ATOM 379 CD1 ILE A 26 9.002 15.017 -9.044 1.00 0.00 C ATOM 0 H ILE A 26 9.675 12.063 -10.886 1.00 0.00 H new ATOM 0 HA ILE A 26 11.148 14.469 -10.615 1.00 0.00 H new ATOM 0 HB ILE A 26 10.877 12.124 -8.685 1.00 0.00 H new ATOM 0 HG12 ILE A 26 8.684 12.941 -9.417 1.00 0.00 H new ATOM 0 HG13 ILE A 26 8.980 13.333 -7.735 1.00 0.00 H new ATOM 0 HG21 ILE A 26 11.309 13.818 -6.950 1.00 0.00 H new ATOM 0 HG22 ILE A 26 12.674 13.674 -8.083 1.00 0.00 H new ATOM 0 HG23 ILE A 26 11.549 15.047 -8.214 1.00 0.00 H new ATOM 0 HD11 ILE A 26 7.939 15.213 -8.903 1.00 0.00 H new ATOM 0 HD12 ILE A 26 9.580 15.643 -8.365 1.00 0.00 H new ATOM 0 HD13 ILE A 26 9.279 15.245 -10.073 1.00 0.00 H new ATOM 391 N ARG A 27 12.817 11.630 -10.753 1.00 0.00 N ATOM 392 CA ARG A 27 14.144 11.051 -10.921 1.00 0.00 C ATOM 393 C ARG A 27 14.875 11.699 -12.095 1.00 0.00 C ATOM 394 O ARG A 27 15.991 12.199 -11.946 1.00 0.00 O ATOM 395 CB ARG A 27 14.042 9.541 -11.142 1.00 0.00 C ATOM 396 CG ARG A 27 13.945 8.742 -9.852 1.00 0.00 C ATOM 397 CD ARG A 27 15.310 8.560 -9.207 1.00 0.00 C ATOM 398 NE ARG A 27 16.117 7.565 -9.906 1.00 0.00 N ATOM 399 CZ ARG A 27 15.993 6.255 -9.719 1.00 0.00 C ATOM 400 NH1 ARG A 27 15.098 5.787 -8.861 1.00 0.00 N ATOM 401 NH2 ARG A 27 16.765 5.412 -10.393 1.00 0.00 N ATOM 0 H ARG A 27 12.053 10.957 -10.811 1.00 0.00 H new ATOM 0 HA ARG A 27 14.713 11.240 -10.011 1.00 0.00 H new ATOM 0 HB2 ARG A 27 13.167 9.331 -11.757 1.00 0.00 H new ATOM 0 HB3 ARG A 27 14.914 9.205 -11.703 1.00 0.00 H new ATOM 0 HG2 ARG A 27 13.277 9.251 -9.157 1.00 0.00 H new ATOM 0 HG3 ARG A 27 13.506 7.766 -10.059 1.00 0.00 H new ATOM 0 HD2 ARG A 27 15.837 9.514 -9.199 1.00 0.00 H new ATOM 0 HD3 ARG A 27 15.182 8.258 -8.168 1.00 0.00 H new ATOM 0 HE ARG A 27 16.814 7.893 -10.574 1.00 0.00 H new ATOM 0 HH11 ARG A 27 14.502 6.433 -8.342 1.00 0.00 H new ATOM 0 HH12 ARG A 27 15.005 4.781 -8.719 1.00 0.00 H new ATOM 0 HH21 ARG A 27 17.454 5.769 -11.055 1.00 0.00 H new ATOM 0 HH22 ARG A 27 16.669 4.407 -10.249 1.00 0.00 H new ATOM 415 N THR A 28 14.238 11.685 -13.262 1.00 0.00 N ATOM 416 CA THR A 28 14.828 12.268 -14.460 1.00 0.00 C ATOM 417 C THR A 28 15.411 13.647 -14.172 1.00 0.00 C ATOM 418 O THR A 28 16.527 13.958 -14.585 1.00 0.00 O ATOM 419 CB THR A 28 13.792 12.388 -15.594 1.00 0.00 C ATOM 420 OG1 THR A 28 13.218 11.106 -15.871 1.00 0.00 O ATOM 421 CG2 THR A 28 14.433 12.946 -16.856 1.00 0.00 C ATOM 0 H THR A 28 13.314 11.276 -13.402 1.00 0.00 H new ATOM 0 HA THR A 28 15.628 11.598 -14.776 1.00 0.00 H new ATOM 0 HB THR A 28 13.009 13.074 -15.270 1.00 0.00 H new ATOM 0 HG1 THR A 28 12.559 11.191 -16.592 1.00 0.00 H new ATOM 0 HG21 THR A 28 13.682 13.022 -17.643 1.00 0.00 H new ATOM 0 HG22 THR A 28 14.843 13.935 -16.649 1.00 0.00 H new ATOM 0 HG23 THR A 28 15.234 12.282 -17.181 1.00 0.00 H new ATOM 429 N ARG A 29 14.648 14.469 -13.459 1.00 0.00 N ATOM 430 CA ARG A 29 15.089 15.816 -13.115 1.00 0.00 C ATOM 431 C ARG A 29 16.185 15.774 -12.054 1.00 0.00 C ATOM 432 O ARG A 29 17.305 16.231 -12.285 1.00 0.00 O ATOM 433 CB ARG A 29 13.908 16.649 -12.613 1.00 0.00 C ATOM 434 CG ARG A 29 13.180 17.400 -13.716 1.00 0.00 C ATOM 435 CD ARG A 29 11.724 17.644 -13.355 1.00 0.00 C ATOM 436 NE ARG A 29 11.110 18.658 -14.208 1.00 0.00 N ATOM 437 CZ ARG A 29 10.748 18.438 -15.467 1.00 0.00 C ATOM 438 NH1 ARG A 29 10.935 17.246 -16.016 1.00 0.00 N ATOM 439 NH2 ARG A 29 10.196 19.413 -16.179 1.00 0.00 N ATOM 0 H ARG A 29 13.722 14.226 -13.108 1.00 0.00 H new ATOM 0 HA ARG A 29 15.495 16.280 -14.014 1.00 0.00 H new ATOM 0 HB2 ARG A 29 13.202 15.993 -12.104 1.00 0.00 H new ATOM 0 HB3 ARG A 29 14.267 17.365 -11.874 1.00 0.00 H new ATOM 0 HG2 ARG A 29 13.676 18.354 -13.897 1.00 0.00 H new ATOM 0 HG3 ARG A 29 13.236 16.830 -14.644 1.00 0.00 H new ATOM 0 HD2 ARG A 29 11.168 16.711 -13.443 1.00 0.00 H new ATOM 0 HD3 ARG A 29 11.657 17.958 -12.313 1.00 0.00 H new ATOM 0 HE ARG A 29 10.950 19.586 -13.816 1.00 0.00 H new ATOM 0 HH11 ARG A 29 11.358 16.494 -15.471 1.00 0.00 H new ATOM 0 HH12 ARG A 29 10.656 17.080 -16.983 1.00 0.00 H new ATOM 0 HH21 ARG A 29 10.050 20.331 -15.759 1.00 0.00 H new ATOM 0 HH22 ARG A 29 9.918 19.244 -17.146 1.00 0.00 H new ATOM 453 N HIS A 30 15.854 15.223 -10.890 1.00 0.00 N ATOM 454 CA HIS A 30 16.810 15.122 -9.793 1.00 0.00 C ATOM 455 C HIS A 30 17.205 13.669 -9.549 1.00 0.00 C ATOM 456 O HIS A 30 16.712 13.012 -8.632 1.00 0.00 O ATOM 457 CB HIS A 30 16.220 15.724 -8.518 1.00 0.00 C ATOM 458 CG HIS A 30 15.297 16.876 -8.771 1.00 0.00 C ATOM 459 ND1 HIS A 30 15.690 18.193 -8.660 1.00 0.00 N ATOM 460 CD2 HIS A 30 13.993 16.904 -9.131 1.00 0.00 C ATOM 461 CE1 HIS A 30 14.668 18.981 -8.940 1.00 0.00 C ATOM 462 NE2 HIS A 30 13.625 18.223 -9.230 1.00 0.00 N ATOM 0 H HIS A 30 14.932 14.840 -10.682 1.00 0.00 H new ATOM 0 HA HIS A 30 17.704 15.681 -10.070 1.00 0.00 H new ATOM 0 HB2 HIS A 30 15.679 14.948 -7.976 1.00 0.00 H new ATOM 0 HB3 HIS A 30 17.033 16.056 -7.873 1.00 0.00 H new ATOM 0 HD2 HIS A 30 13.359 16.048 -9.308 1.00 0.00 H new ATOM 0 HE1 HIS A 30 14.682 20.061 -8.933 1.00 0.00 H new ATOM 0 HE2 HIS A 30 12.698 18.563 -9.486 1.00 0.00 H new ATOM 471 N PRO A 31 18.115 13.153 -10.388 1.00 0.00 N ATOM 472 CA PRO A 31 18.597 11.773 -10.284 1.00 0.00 C ATOM 473 C PRO A 31 19.466 11.553 -9.051 1.00 0.00 C ATOM 474 O PRO A 31 19.930 10.442 -8.796 1.00 0.00 O ATOM 475 CB PRO A 31 19.421 11.587 -11.559 1.00 0.00 C ATOM 476 CG PRO A 31 19.857 12.962 -11.932 1.00 0.00 C ATOM 477 CD PRO A 31 18.745 13.879 -11.504 1.00 0.00 C ATOM 0 HA PRO A 31 17.777 11.062 -10.183 1.00 0.00 H new ATOM 0 HB2 PRO A 31 20.276 10.934 -11.386 1.00 0.00 H new ATOM 0 HB3 PRO A 31 18.827 11.131 -12.351 1.00 0.00 H new ATOM 0 HG2 PRO A 31 20.791 13.223 -11.435 1.00 0.00 H new ATOM 0 HG3 PRO A 31 20.034 13.038 -13.005 1.00 0.00 H new ATOM 0 HD2 PRO A 31 19.125 14.851 -11.188 1.00 0.00 H new ATOM 0 HD3 PRO A 31 18.039 14.061 -12.315 1.00 0.00 H new ATOM 485 N ASP A 32 19.682 12.619 -8.288 1.00 0.00 N ATOM 486 CA ASP A 32 20.494 12.543 -7.079 1.00 0.00 C ATOM 487 C ASP A 32 19.614 12.460 -5.836 1.00 0.00 C ATOM 488 O ASP A 32 20.066 12.044 -4.768 1.00 0.00 O ATOM 489 CB ASP A 32 21.419 13.757 -6.984 1.00 0.00 C ATOM 490 CG ASP A 32 22.049 14.112 -8.316 1.00 0.00 C ATOM 491 OD1 ASP A 32 22.732 13.245 -8.900 1.00 0.00 O ATOM 492 OD2 ASP A 32 21.855 15.257 -8.777 1.00 0.00 O ATOM 0 H ASP A 32 19.306 13.546 -8.485 1.00 0.00 H new ATOM 0 HA ASP A 32 21.099 11.638 -7.134 1.00 0.00 H new ATOM 0 HB2 ASP A 32 20.854 14.612 -6.614 1.00 0.00 H new ATOM 0 HB3 ASP A 32 22.205 13.555 -6.256 1.00 0.00 H new ATOM 497 N LEU A 33 18.355 12.859 -5.982 1.00 0.00 N ATOM 498 CA LEU A 33 17.410 12.831 -4.871 1.00 0.00 C ATOM 499 C LEU A 33 17.090 11.395 -4.465 1.00 0.00 C ATOM 500 O LEU A 33 16.528 10.617 -5.235 1.00 0.00 O ATOM 501 CB LEU A 33 16.123 13.564 -5.251 1.00 0.00 C ATOM 502 CG LEU A 33 16.165 15.089 -5.153 1.00 0.00 C ATOM 503 CD1 LEU A 33 14.758 15.663 -5.158 1.00 0.00 C ATOM 504 CD2 LEU A 33 16.915 15.522 -3.901 1.00 0.00 C ATOM 0 H LEU A 33 17.965 13.206 -6.859 1.00 0.00 H new ATOM 0 HA LEU A 33 17.871 13.336 -4.022 1.00 0.00 H new ATOM 0 HB2 LEU A 33 15.863 13.293 -6.274 1.00 0.00 H new ATOM 0 HB3 LEU A 33 15.319 13.201 -4.611 1.00 0.00 H new ATOM 0 HG LEU A 33 16.696 15.475 -6.023 1.00 0.00 H new ATOM 0 HD11 LEU A 33 14.808 16.750 -5.088 1.00 0.00 H new ATOM 0 HD12 LEU A 33 14.254 15.382 -6.083 1.00 0.00 H new ATOM 0 HD13 LEU A 33 14.202 15.270 -4.307 1.00 0.00 H new ATOM 0 HD21 LEU A 33 16.935 16.610 -3.847 1.00 0.00 H new ATOM 0 HD22 LEU A 33 16.412 15.124 -3.020 1.00 0.00 H new ATOM 0 HD23 LEU A 33 17.936 15.142 -3.938 1.00 0.00 H new ATOM 516 N PRO A 34 17.454 11.035 -3.225 1.00 0.00 N ATOM 517 CA PRO A 34 17.213 9.694 -2.686 1.00 0.00 C ATOM 518 C PRO A 34 15.733 9.428 -2.435 1.00 0.00 C ATOM 519 O PRO A 34 14.924 10.354 -2.393 1.00 0.00 O ATOM 520 CB PRO A 34 17.989 9.696 -1.366 1.00 0.00 C ATOM 521 CG PRO A 34 18.056 11.131 -0.970 1.00 0.00 C ATOM 522 CD PRO A 34 18.129 11.912 -2.252 1.00 0.00 C ATOM 0 HA PRO A 34 17.528 8.914 -3.379 1.00 0.00 H new ATOM 0 HB2 PRO A 34 17.482 9.099 -0.608 1.00 0.00 H new ATOM 0 HB3 PRO A 34 18.986 9.273 -1.492 1.00 0.00 H new ATOM 0 HG2 PRO A 34 17.179 11.417 -0.389 1.00 0.00 H new ATOM 0 HG3 PRO A 34 18.929 11.323 -0.346 1.00 0.00 H new ATOM 0 HD2 PRO A 34 17.628 12.876 -2.164 1.00 0.00 H new ATOM 0 HD3 PRO A 34 19.160 12.114 -2.541 1.00 0.00 H new ATOM 530 N PHE A 35 15.386 8.155 -2.266 1.00 0.00 N ATOM 531 CA PHE A 35 14.002 7.767 -2.019 1.00 0.00 C ATOM 532 C PHE A 35 13.339 8.720 -1.029 1.00 0.00 C ATOM 533 O PHE A 35 12.321 9.348 -1.321 1.00 0.00 O ATOM 534 CB PHE A 35 13.941 6.335 -1.484 1.00 0.00 C ATOM 535 CG PHE A 35 12.799 6.097 -0.538 1.00 0.00 C ATOM 536 CD1 PHE A 35 11.552 6.648 -0.785 1.00 0.00 C ATOM 537 CD2 PHE A 35 12.972 5.321 0.597 1.00 0.00 C ATOM 538 CE1 PHE A 35 10.499 6.431 0.084 1.00 0.00 C ATOM 539 CE2 PHE A 35 11.923 5.100 1.470 1.00 0.00 C ATOM 540 CZ PHE A 35 10.685 5.656 1.213 1.00 0.00 C ATOM 0 H PHE A 35 16.044 7.376 -2.296 1.00 0.00 H new ATOM 0 HA PHE A 35 13.461 7.819 -2.964 1.00 0.00 H new ATOM 0 HB2 PHE A 35 13.857 5.645 -2.324 1.00 0.00 H new ATOM 0 HB3 PHE A 35 14.877 6.105 -0.976 1.00 0.00 H new ATOM 0 HD1 PHE A 35 11.401 7.254 -1.666 1.00 0.00 H new ATOM 0 HD2 PHE A 35 13.938 4.884 0.802 1.00 0.00 H new ATOM 0 HE1 PHE A 35 9.532 6.867 -0.119 1.00 0.00 H new ATOM 0 HE2 PHE A 35 12.071 4.494 2.351 1.00 0.00 H new ATOM 0 HZ PHE A 35 9.864 5.485 1.893 1.00 0.00 H new ATOM 550 N PRO A 36 13.928 8.831 0.171 1.00 0.00 N ATOM 551 CA PRO A 36 13.412 9.704 1.228 1.00 0.00 C ATOM 552 C PRO A 36 13.587 11.183 0.897 1.00 0.00 C ATOM 553 O PRO A 36 13.547 12.036 1.783 1.00 0.00 O ATOM 554 CB PRO A 36 14.259 9.326 2.446 1.00 0.00 C ATOM 555 CG PRO A 36 15.525 8.789 1.875 1.00 0.00 C ATOM 556 CD PRO A 36 15.145 8.112 0.587 1.00 0.00 C ATOM 0 HA PRO A 36 12.341 9.571 1.378 1.00 0.00 H new ATOM 0 HB2 PRO A 36 14.447 10.191 3.081 1.00 0.00 H new ATOM 0 HB3 PRO A 36 13.756 8.581 3.063 1.00 0.00 H new ATOM 0 HG2 PRO A 36 16.243 9.589 1.698 1.00 0.00 H new ATOM 0 HG3 PRO A 36 15.995 8.085 2.562 1.00 0.00 H new ATOM 0 HD2 PRO A 36 15.935 8.194 -0.159 1.00 0.00 H new ATOM 0 HD3 PRO A 36 14.954 7.049 0.733 1.00 0.00 H new ATOM 564 N GLU A 37 13.782 11.478 -0.385 1.00 0.00 N ATOM 565 CA GLU A 37 13.965 12.854 -0.832 1.00 0.00 C ATOM 566 C GLU A 37 13.055 13.165 -2.018 1.00 0.00 C ATOM 567 O GLU A 37 12.713 14.322 -2.263 1.00 0.00 O ATOM 568 CB GLU A 37 15.425 13.100 -1.218 1.00 0.00 C ATOM 569 CG GLU A 37 16.285 13.584 -0.063 1.00 0.00 C ATOM 570 CD GLU A 37 16.129 15.070 0.197 1.00 0.00 C ATOM 571 OE1 GLU A 37 15.747 15.800 -0.742 1.00 0.00 O ATOM 572 OE2 GLU A 37 16.390 15.503 1.339 1.00 0.00 O ATOM 0 H GLU A 37 13.817 10.783 -1.131 1.00 0.00 H new ATOM 0 HA GLU A 37 13.699 13.515 -0.007 1.00 0.00 H new ATOM 0 HB2 GLU A 37 15.848 12.177 -1.613 1.00 0.00 H new ATOM 0 HB3 GLU A 37 15.461 13.837 -2.021 1.00 0.00 H new ATOM 0 HG2 GLU A 37 16.021 13.031 0.839 1.00 0.00 H new ATOM 0 HG3 GLU A 37 17.331 13.364 -0.276 1.00 0.00 H new ATOM 579 N ILE A 38 12.668 12.125 -2.748 1.00 0.00 N ATOM 580 CA ILE A 38 11.798 12.288 -3.907 1.00 0.00 C ATOM 581 C ILE A 38 10.328 12.222 -3.504 1.00 0.00 C ATOM 582 O ILE A 38 9.495 12.959 -4.031 1.00 0.00 O ATOM 583 CB ILE A 38 12.075 11.212 -4.973 1.00 0.00 C ATOM 584 CG1 ILE A 38 13.494 11.362 -5.523 1.00 0.00 C ATOM 585 CG2 ILE A 38 11.053 11.304 -6.096 1.00 0.00 C ATOM 586 CD1 ILE A 38 13.937 10.196 -6.381 1.00 0.00 C ATOM 0 H ILE A 38 12.942 11.161 -2.558 1.00 0.00 H new ATOM 0 HA ILE A 38 12.013 13.270 -4.329 1.00 0.00 H new ATOM 0 HB ILE A 38 11.988 10.230 -4.508 1.00 0.00 H new ATOM 0 HG12 ILE A 38 13.552 12.278 -6.111 1.00 0.00 H new ATOM 0 HG13 ILE A 38 14.188 11.474 -4.690 1.00 0.00 H new ATOM 0 HG21 ILE A 38 11.262 10.537 -6.842 1.00 0.00 H new ATOM 0 HG22 ILE A 38 10.052 11.153 -5.691 1.00 0.00 H new ATOM 0 HG23 ILE A 38 11.111 12.288 -6.561 1.00 0.00 H new ATOM 0 HD11 ILE A 38 14.952 10.371 -6.736 1.00 0.00 H new ATOM 0 HD12 ILE A 38 13.912 9.280 -5.791 1.00 0.00 H new ATOM 0 HD13 ILE A 38 13.266 10.097 -7.234 1.00 0.00 H new ATOM 598 N THR A 39 10.017 11.334 -2.565 1.00 0.00 N ATOM 599 CA THR A 39 8.648 11.172 -2.090 1.00 0.00 C ATOM 600 C THR A 39 8.175 12.414 -1.342 1.00 0.00 C ATOM 601 O THR A 39 7.060 12.892 -1.556 1.00 0.00 O ATOM 602 CB THR A 39 8.515 9.948 -1.165 1.00 0.00 C ATOM 603 OG1 THR A 39 8.499 8.745 -1.942 1.00 0.00 O ATOM 604 CG2 THR A 39 7.246 10.035 -0.330 1.00 0.00 C ATOM 0 H THR A 39 10.694 10.716 -2.118 1.00 0.00 H new ATOM 0 HA THR A 39 8.024 11.022 -2.971 1.00 0.00 H new ATOM 0 HB THR A 39 9.373 9.934 -0.493 1.00 0.00 H new ATOM 0 HG1 THR A 39 8.416 7.972 -1.346 1.00 0.00 H new ATOM 0 HG21 THR A 39 7.174 9.159 0.315 1.00 0.00 H new ATOM 0 HG22 THR A 39 7.275 10.936 0.283 1.00 0.00 H new ATOM 0 HG23 THR A 39 6.379 10.072 -0.989 1.00 0.00 H new ATOM 612 N LYS A 40 9.029 12.932 -0.467 1.00 0.00 N ATOM 613 CA LYS A 40 8.699 14.120 0.312 1.00 0.00 C ATOM 614 C LYS A 40 8.222 15.250 -0.595 1.00 0.00 C ATOM 615 O LYS A 40 7.383 16.060 -0.202 1.00 0.00 O ATOM 616 CB LYS A 40 9.915 14.579 1.120 1.00 0.00 C ATOM 617 CG LYS A 40 10.996 15.229 0.274 1.00 0.00 C ATOM 618 CD LYS A 40 11.936 16.071 1.120 1.00 0.00 C ATOM 619 CE LYS A 40 11.449 17.508 1.231 1.00 0.00 C ATOM 620 NZ LYS A 40 12.449 18.384 1.900 1.00 0.00 N ATOM 0 H LYS A 40 9.955 12.548 -0.279 1.00 0.00 H new ATOM 0 HA LYS A 40 7.891 13.862 0.997 1.00 0.00 H new ATOM 0 HB2 LYS A 40 9.588 15.286 1.883 1.00 0.00 H new ATOM 0 HB3 LYS A 40 10.340 13.721 1.641 1.00 0.00 H new ATOM 0 HG2 LYS A 40 11.565 14.458 -0.246 1.00 0.00 H new ATOM 0 HG3 LYS A 40 10.534 15.854 -0.490 1.00 0.00 H new ATOM 0 HD2 LYS A 40 12.019 15.636 2.116 1.00 0.00 H new ATOM 0 HD3 LYS A 40 12.934 16.057 0.681 1.00 0.00 H new ATOM 0 HE2 LYS A 40 11.235 17.896 0.235 1.00 0.00 H new ATOM 0 HE3 LYS A 40 10.514 17.532 1.790 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 12.079 19.354 1.956 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 12.635 18.029 2.860 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 13.333 18.382 1.353 1.00 0.00 H new ATOM 634 N MET A 41 8.760 15.296 -1.809 1.00 0.00 N ATOM 635 CA MET A 41 8.386 16.325 -2.771 1.00 0.00 C ATOM 636 C MET A 41 7.015 16.034 -3.373 1.00 0.00 C ATOM 637 O MET A 41 6.189 16.934 -3.529 1.00 0.00 O ATOM 638 CB MET A 41 9.434 16.419 -3.882 1.00 0.00 C ATOM 639 CG MET A 41 10.764 16.991 -3.416 1.00 0.00 C ATOM 640 SD MET A 41 11.720 17.712 -4.763 1.00 0.00 S ATOM 641 CE MET A 41 11.835 16.317 -5.881 1.00 0.00 C ATOM 0 H MET A 41 9.456 14.633 -2.150 1.00 0.00 H new ATOM 0 HA MET A 41 8.337 17.279 -2.245 1.00 0.00 H new ATOM 0 HB2 MET A 41 9.601 15.425 -4.298 1.00 0.00 H new ATOM 0 HB3 MET A 41 9.043 17.040 -4.688 1.00 0.00 H new ATOM 0 HG2 MET A 41 10.582 17.752 -2.657 1.00 0.00 H new ATOM 0 HG3 MET A 41 11.348 16.202 -2.943 1.00 0.00 H new ATOM 0 HE1 MET A 41 12.570 16.532 -6.657 1.00 0.00 H new ATOM 0 HE2 MET A 41 12.142 15.430 -5.326 1.00 0.00 H new ATOM 0 HE3 MET A 41 10.863 16.139 -6.341 1.00 0.00 H new ATOM 651 N LEU A 42 6.779 14.771 -3.712 1.00 0.00 N ATOM 652 CA LEU A 42 5.507 14.361 -4.298 1.00 0.00 C ATOM 653 C LEU A 42 4.369 14.518 -3.294 1.00 0.00 C ATOM 654 O LEU A 42 3.282 14.978 -3.640 1.00 0.00 O ATOM 655 CB LEU A 42 5.587 12.910 -4.773 1.00 0.00 C ATOM 656 CG LEU A 42 6.669 12.599 -5.807 1.00 0.00 C ATOM 657 CD1 LEU A 42 6.778 11.099 -6.034 1.00 0.00 C ATOM 658 CD2 LEU A 42 6.377 13.319 -7.116 1.00 0.00 C ATOM 0 H LEU A 42 7.451 14.013 -3.591 1.00 0.00 H new ATOM 0 HA LEU A 42 5.304 15.006 -5.153 1.00 0.00 H new ATOM 0 HB2 LEU A 42 5.750 12.273 -3.904 1.00 0.00 H new ATOM 0 HB3 LEU A 42 4.620 12.633 -5.194 1.00 0.00 H new ATOM 0 HG LEU A 42 7.624 12.956 -5.423 1.00 0.00 H new ATOM 0 HD11 LEU A 42 7.553 10.898 -6.773 1.00 0.00 H new ATOM 0 HD12 LEU A 42 7.035 10.607 -5.096 1.00 0.00 H new ATOM 0 HD13 LEU A 42 5.824 10.715 -6.396 1.00 0.00 H new ATOM 0 HD21 LEU A 42 7.157 13.087 -7.841 1.00 0.00 H new ATOM 0 HD22 LEU A 42 5.412 12.992 -7.504 1.00 0.00 H new ATOM 0 HD23 LEU A 42 6.352 14.395 -6.942 1.00 0.00 H new ATOM 670 N GLY A 43 4.629 14.133 -2.048 1.00 0.00 N ATOM 671 CA GLY A 43 3.618 14.242 -1.013 1.00 0.00 C ATOM 672 C GLY A 43 2.944 15.599 -1.000 1.00 0.00 C ATOM 673 O GLY A 43 1.823 15.739 -0.510 1.00 0.00 O ATOM 0 H GLY A 43 5.521 13.748 -1.737 1.00 0.00 H new ATOM 0 HA2 GLY A 43 2.865 13.468 -1.162 1.00 0.00 H new ATOM 0 HA3 GLY A 43 4.076 14.058 -0.041 1.00 0.00 H new ATOM 677 N ALA A 44 3.628 16.603 -1.539 1.00 0.00 N ATOM 678 CA ALA A 44 3.088 17.957 -1.588 1.00 0.00 C ATOM 679 C ALA A 44 2.128 18.122 -2.761 1.00 0.00 C ATOM 680 O ALA A 44 1.122 18.822 -2.656 1.00 0.00 O ATOM 681 CB ALA A 44 4.218 18.972 -1.681 1.00 0.00 C ATOM 0 H ALA A 44 4.557 16.505 -1.948 1.00 0.00 H new ATOM 0 HA ALA A 44 2.530 18.134 -0.668 1.00 0.00 H new ATOM 0 HB1 ALA A 44 3.801 19.978 -1.717 1.00 0.00 H new ATOM 0 HB2 ALA A 44 4.864 18.878 -0.808 1.00 0.00 H new ATOM 0 HB3 ALA A 44 4.799 18.788 -2.585 1.00 0.00 H new ATOM 687 N GLU A 45 2.447 17.474 -3.878 1.00 0.00 N ATOM 688 CA GLU A 45 1.611 17.552 -5.070 1.00 0.00 C ATOM 689 C GLU A 45 0.236 16.944 -4.812 1.00 0.00 C ATOM 690 O GLU A 45 -0.783 17.479 -5.248 1.00 0.00 O ATOM 691 CB GLU A 45 2.287 16.836 -6.241 1.00 0.00 C ATOM 692 CG GLU A 45 3.734 17.251 -6.456 1.00 0.00 C ATOM 693 CD GLU A 45 4.180 17.088 -7.895 1.00 0.00 C ATOM 694 OE1 GLU A 45 3.714 17.865 -8.753 1.00 0.00 O ATOM 695 OE2 GLU A 45 4.996 16.181 -8.163 1.00 0.00 O ATOM 0 H GLU A 45 3.277 16.890 -3.982 1.00 0.00 H new ATOM 0 HA GLU A 45 1.481 18.604 -5.323 1.00 0.00 H new ATOM 0 HB2 GLU A 45 2.248 15.760 -6.069 1.00 0.00 H new ATOM 0 HB3 GLU A 45 1.722 17.034 -7.152 1.00 0.00 H new ATOM 0 HG2 GLU A 45 3.858 18.292 -6.157 1.00 0.00 H new ATOM 0 HG3 GLU A 45 4.379 16.655 -5.810 1.00 0.00 H new ATOM 702 N TRP A 46 0.217 15.822 -4.102 1.00 0.00 N ATOM 703 CA TRP A 46 -1.033 15.139 -3.786 1.00 0.00 C ATOM 704 C TRP A 46 -2.029 16.097 -3.144 1.00 0.00 C ATOM 705 O TRP A 46 -3.216 16.086 -3.472 1.00 0.00 O ATOM 706 CB TRP A 46 -0.769 13.956 -2.853 1.00 0.00 C ATOM 707 CG TRP A 46 -2.023 13.283 -2.380 1.00 0.00 C ATOM 708 CD1 TRP A 46 -2.553 13.329 -1.123 1.00 0.00 C ATOM 709 CD2 TRP A 46 -2.900 12.460 -3.158 1.00 0.00 C ATOM 710 NE1 TRP A 46 -3.708 12.585 -1.072 1.00 0.00 N ATOM 711 CE2 TRP A 46 -3.942 12.042 -2.308 1.00 0.00 C ATOM 712 CE3 TRP A 46 -2.907 12.038 -4.490 1.00 0.00 C ATOM 713 CZ2 TRP A 46 -4.978 11.223 -2.748 1.00 0.00 C ATOM 714 CZ3 TRP A 46 -3.935 11.224 -4.926 1.00 0.00 C ATOM 715 CH2 TRP A 46 -4.960 10.825 -4.058 1.00 0.00 C ATOM 0 H TRP A 46 1.052 15.366 -3.734 1.00 0.00 H new ATOM 0 HA TRP A 46 -1.462 14.769 -4.717 1.00 0.00 H new ATOM 0 HB2 TRP A 46 -0.146 13.226 -3.370 1.00 0.00 H new ATOM 0 HB3 TRP A 46 -0.203 14.303 -1.989 1.00 0.00 H new ATOM 0 HD1 TRP A 46 -2.128 13.870 -0.291 1.00 0.00 H new ATOM 0 HE1 TRP A 46 -4.295 12.458 -0.248 1.00 0.00 H new ATOM 0 HE3 TRP A 46 -2.123 12.343 -5.167 1.00 0.00 H new ATOM 0 HZ2 TRP A 46 -5.768 10.913 -2.080 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 -3.949 10.890 -5.953 1.00 0.00 H new ATOM 0 HH2 TRP A 46 -5.751 10.191 -4.430 1.00 0.00 H new ATOM 726 N SER A 47 -1.541 16.926 -2.226 1.00 0.00 N ATOM 727 CA SER A 47 -2.391 17.888 -1.536 1.00 0.00 C ATOM 728 C SER A 47 -2.773 19.039 -2.462 1.00 0.00 C ATOM 729 O SER A 47 -3.809 19.678 -2.283 1.00 0.00 O ATOM 730 CB SER A 47 -1.678 18.432 -0.296 1.00 0.00 C ATOM 731 OG SER A 47 -2.499 19.352 0.402 1.00 0.00 O ATOM 0 H SER A 47 -0.561 16.950 -1.943 1.00 0.00 H new ATOM 0 HA SER A 47 -3.302 17.375 -1.228 1.00 0.00 H new ATOM 0 HB2 SER A 47 -1.409 17.607 0.364 1.00 0.00 H new ATOM 0 HB3 SER A 47 -0.749 18.920 -0.592 1.00 0.00 H new ATOM 0 HG SER A 47 -2.021 19.684 1.191 1.00 0.00 H new ATOM 737 N LYS A 48 -1.926 19.298 -3.453 1.00 0.00 N ATOM 738 CA LYS A 48 -2.172 20.370 -4.410 1.00 0.00 C ATOM 739 C LYS A 48 -2.743 19.818 -5.711 1.00 0.00 C ATOM 740 O LYS A 48 -2.796 20.516 -6.724 1.00 0.00 O ATOM 741 CB LYS A 48 -0.878 21.137 -4.693 1.00 0.00 C ATOM 742 CG LYS A 48 -0.240 21.731 -3.449 1.00 0.00 C ATOM 743 CD LYS A 48 1.027 22.500 -3.785 1.00 0.00 C ATOM 744 CE LYS A 48 2.247 21.593 -3.781 1.00 0.00 C ATOM 745 NZ LYS A 48 3.516 22.371 -3.714 1.00 0.00 N ATOM 0 H LYS A 48 -1.063 18.779 -3.614 1.00 0.00 H new ATOM 0 HA LYS A 48 -2.903 21.051 -3.974 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -0.165 20.466 -5.172 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -1.088 21.938 -5.402 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -0.950 22.395 -2.957 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -0.007 20.934 -2.743 1.00 0.00 H new ATOM 0 HD2 LYS A 48 0.922 22.966 -4.765 1.00 0.00 H new ATOM 0 HD3 LYS A 48 1.168 23.304 -3.063 1.00 0.00 H new ATOM 0 HE2 LYS A 48 2.192 20.914 -2.930 1.00 0.00 H new ATOM 0 HE3 LYS A 48 2.245 20.978 -4.681 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 4.325 21.717 -3.713 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 3.581 23.001 -4.539 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 3.529 22.939 -2.843 1.00 0.00 H new ATOM 759 N LEU A 49 -3.170 18.559 -5.679 1.00 0.00 N ATOM 760 CA LEU A 49 -3.737 17.913 -6.856 1.00 0.00 C ATOM 761 C LEU A 49 -5.133 18.453 -7.154 1.00 0.00 C ATOM 762 O LEU A 49 -5.788 19.020 -6.280 1.00 0.00 O ATOM 763 CB LEU A 49 -3.798 16.398 -6.651 1.00 0.00 C ATOM 764 CG LEU A 49 -2.565 15.611 -7.099 1.00 0.00 C ATOM 765 CD1 LEU A 49 -2.756 14.126 -6.835 1.00 0.00 C ATOM 766 CD2 LEU A 49 -2.280 15.860 -8.573 1.00 0.00 C ATOM 0 H LEU A 49 -3.134 17.966 -4.850 1.00 0.00 H new ATOM 0 HA LEU A 49 -3.092 18.133 -7.707 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -3.965 16.201 -5.592 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -4.665 16.013 -7.188 1.00 0.00 H new ATOM 0 HG LEU A 49 -1.708 15.955 -6.521 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -1.869 13.582 -7.160 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -2.911 13.963 -5.769 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -3.625 13.767 -7.387 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -1.400 15.292 -8.874 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -3.137 15.544 -9.168 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -2.099 16.923 -8.734 1.00 0.00 H new ATOM 778 N GLN A 50 -5.581 18.270 -8.391 1.00 0.00 N ATOM 779 CA GLN A 50 -6.899 18.737 -8.803 1.00 0.00 C ATOM 780 C GLN A 50 -7.996 17.842 -8.237 1.00 0.00 C ATOM 781 O GLN A 50 -7.769 16.682 -7.894 1.00 0.00 O ATOM 782 CB GLN A 50 -6.996 18.778 -10.329 1.00 0.00 C ATOM 783 CG GLN A 50 -6.377 20.021 -10.945 1.00 0.00 C ATOM 784 CD GLN A 50 -7.026 21.301 -10.455 1.00 0.00 C ATOM 785 OE1 GLN A 50 -8.002 21.778 -11.035 1.00 0.00 O ATOM 786 NE2 GLN A 50 -6.488 21.865 -9.380 1.00 0.00 N ATOM 0 H GLN A 50 -5.051 17.802 -9.126 1.00 0.00 H new ATOM 0 HA GLN A 50 -7.038 19.744 -8.410 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -6.505 17.896 -10.740 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -8.045 18.723 -10.620 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -5.312 20.046 -10.712 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -6.465 19.966 -12.030 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -5.679 21.436 -8.930 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -6.883 22.727 -9.004 1.00 0.00 H new ATOM 795 N PRO A 51 -9.215 18.392 -8.133 1.00 0.00 N ATOM 796 CA PRO A 51 -10.372 17.660 -7.607 1.00 0.00 C ATOM 797 C PRO A 51 -10.841 16.560 -8.555 1.00 0.00 C ATOM 798 O PRO A 51 -11.809 15.855 -8.271 1.00 0.00 O ATOM 799 CB PRO A 51 -11.446 18.743 -7.473 1.00 0.00 C ATOM 800 CG PRO A 51 -11.061 19.783 -8.469 1.00 0.00 C ATOM 801 CD PRO A 51 -9.558 19.770 -8.522 1.00 0.00 C ATOM 0 HA PRO A 51 -10.141 17.151 -6.671 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -12.439 18.344 -7.681 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -11.472 19.152 -6.463 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -11.488 19.563 -9.448 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -11.432 20.764 -8.172 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -9.189 20.010 -9.519 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -9.125 20.500 -7.838 1.00 0.00 H new ATOM 809 N ALA A 52 -10.147 16.419 -9.679 1.00 0.00 N ATOM 810 CA ALA A 52 -10.492 15.402 -10.666 1.00 0.00 C ATOM 811 C ALA A 52 -9.417 14.323 -10.740 1.00 0.00 C ATOM 812 O ALA A 52 -9.716 13.152 -10.973 1.00 0.00 O ATOM 813 CB ALA A 52 -10.695 16.041 -12.032 1.00 0.00 C ATOM 0 H ALA A 52 -9.343 16.995 -9.929 1.00 0.00 H new ATOM 0 HA ALA A 52 -11.424 14.930 -10.355 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -10.952 15.271 -12.759 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -11.502 16.771 -11.976 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -9.776 16.539 -12.341 1.00 0.00 H new ATOM 819 N GLU A 53 -8.166 14.724 -10.539 1.00 0.00 N ATOM 820 CA GLU A 53 -7.047 13.790 -10.584 1.00 0.00 C ATOM 821 C GLU A 53 -6.925 13.023 -9.270 1.00 0.00 C ATOM 822 O GLU A 53 -6.898 11.792 -9.256 1.00 0.00 O ATOM 823 CB GLU A 53 -5.743 14.535 -10.876 1.00 0.00 C ATOM 824 CG GLU A 53 -5.822 15.450 -12.087 1.00 0.00 C ATOM 825 CD GLU A 53 -6.244 14.717 -13.345 1.00 0.00 C ATOM 826 OE1 GLU A 53 -5.370 14.117 -14.004 1.00 0.00 O ATOM 827 OE2 GLU A 53 -7.449 14.742 -13.671 1.00 0.00 O ATOM 0 H GLU A 53 -7.902 15.690 -10.343 1.00 0.00 H new ATOM 0 HA GLU A 53 -7.236 13.076 -11.385 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -5.469 15.126 -10.002 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -4.946 13.808 -11.032 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -6.530 16.254 -11.885 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -4.850 15.915 -12.251 1.00 0.00 H new ATOM 834 N LYS A 54 -6.852 13.760 -8.167 1.00 0.00 N ATOM 835 CA LYS A 54 -6.733 13.152 -6.847 1.00 0.00 C ATOM 836 C LYS A 54 -7.823 12.106 -6.630 1.00 0.00 C ATOM 837 O LYS A 54 -7.565 11.033 -6.088 1.00 0.00 O ATOM 838 CB LYS A 54 -6.816 14.225 -5.760 1.00 0.00 C ATOM 839 CG LYS A 54 -6.190 13.805 -4.441 1.00 0.00 C ATOM 840 CD LYS A 54 -6.828 14.526 -3.265 1.00 0.00 C ATOM 841 CE LYS A 54 -5.848 14.689 -2.113 1.00 0.00 C ATOM 842 NZ LYS A 54 -6.239 15.803 -1.206 1.00 0.00 N ATOM 0 H LYS A 54 -6.873 14.780 -8.161 1.00 0.00 H new ATOM 0 HA LYS A 54 -5.763 12.658 -6.787 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -6.322 15.129 -6.115 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -7.862 14.479 -5.591 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -6.300 12.728 -4.312 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -5.121 14.016 -4.461 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -7.181 15.506 -3.586 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -7.701 13.969 -2.925 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -5.797 13.760 -1.546 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -4.850 14.876 -2.509 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -5.546 15.882 -0.434 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -6.263 16.694 -1.741 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -7.181 15.612 -0.808 1.00 0.00 H new ATOM 856 N GLN A 55 -9.040 12.430 -7.057 1.00 0.00 N ATOM 857 CA GLN A 55 -10.167 11.517 -6.909 1.00 0.00 C ATOM 858 C GLN A 55 -10.008 10.301 -7.817 1.00 0.00 C ATOM 859 O GLN A 55 -10.155 9.162 -7.375 1.00 0.00 O ATOM 860 CB GLN A 55 -11.479 12.238 -7.227 1.00 0.00 C ATOM 861 CG GLN A 55 -12.718 11.430 -6.874 1.00 0.00 C ATOM 862 CD GLN A 55 -13.034 11.465 -5.392 1.00 0.00 C ATOM 863 OE1 GLN A 55 -13.293 12.527 -4.825 1.00 0.00 O ATOM 864 NE2 GLN A 55 -13.015 10.300 -4.755 1.00 0.00 N ATOM 0 H GLN A 55 -9.270 13.316 -7.507 1.00 0.00 H new ATOM 0 HA GLN A 55 -10.190 11.173 -5.875 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -11.505 13.183 -6.685 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -11.503 12.479 -8.290 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -13.570 11.816 -7.433 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -12.574 10.396 -7.187 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -12.795 9.444 -5.264 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -13.220 10.261 -3.757 1.00 0.00 H new ATOM 873 N ARG A 56 -9.705 10.554 -9.086 1.00 0.00 N ATOM 874 CA ARG A 56 -9.528 9.480 -10.056 1.00 0.00 C ATOM 875 C ARG A 56 -8.498 8.467 -9.563 1.00 0.00 C ATOM 876 O ARG A 56 -8.659 7.261 -9.752 1.00 0.00 O ATOM 877 CB ARG A 56 -9.089 10.051 -11.406 1.00 0.00 C ATOM 878 CG ARG A 56 -8.670 8.990 -12.410 1.00 0.00 C ATOM 879 CD ARG A 56 -7.665 9.537 -13.411 1.00 0.00 C ATOM 880 NE ARG A 56 -8.294 10.420 -14.391 1.00 0.00 N ATOM 881 CZ ARG A 56 -7.673 10.882 -15.469 1.00 0.00 C ATOM 882 NH1 ARG A 56 -6.412 10.547 -15.707 1.00 0.00 N ATOM 883 NH2 ARG A 56 -8.312 11.681 -16.314 1.00 0.00 N ATOM 0 H ARG A 56 -9.577 11.492 -9.466 1.00 0.00 H new ATOM 0 HA ARG A 56 -10.485 8.972 -10.177 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -9.908 10.634 -11.827 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -8.257 10.737 -11.247 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -8.235 8.141 -11.883 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -9.549 8.621 -12.939 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -6.884 10.082 -12.880 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -7.180 8.709 -13.928 1.00 0.00 H new ATOM 0 HE ARG A 56 -9.264 10.696 -14.238 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -5.917 9.933 -15.061 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -5.937 10.904 -16.536 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -9.282 11.941 -16.135 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -7.833 12.035 -17.142 1.00 0.00 H new ATOM 897 N TYR A 57 -7.442 8.965 -8.931 1.00 0.00 N ATOM 898 CA TYR A 57 -6.384 8.103 -8.413 1.00 0.00 C ATOM 899 C TYR A 57 -6.940 7.111 -7.397 1.00 0.00 C ATOM 900 O TYR A 57 -6.497 5.964 -7.326 1.00 0.00 O ATOM 901 CB TYR A 57 -5.281 8.946 -7.771 1.00 0.00 C ATOM 902 CG TYR A 57 -4.282 9.496 -8.764 1.00 0.00 C ATOM 903 CD1 TYR A 57 -3.634 8.659 -9.663 1.00 0.00 C ATOM 904 CD2 TYR A 57 -3.990 10.854 -8.804 1.00 0.00 C ATOM 905 CE1 TYR A 57 -2.721 9.158 -10.572 1.00 0.00 C ATOM 906 CE2 TYR A 57 -3.079 11.362 -9.710 1.00 0.00 C ATOM 907 CZ TYR A 57 -2.447 10.510 -10.593 1.00 0.00 C ATOM 908 OH TYR A 57 -1.539 11.011 -11.497 1.00 0.00 O ATOM 0 H TYR A 57 -7.295 9.960 -8.764 1.00 0.00 H new ATOM 0 HA TYR A 57 -5.964 7.542 -9.248 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -5.737 9.775 -7.231 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -4.753 8.339 -7.036 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -3.847 7.600 -9.651 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -4.484 11.524 -8.115 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -2.224 8.493 -11.263 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -2.863 12.420 -9.727 1.00 0.00 H new ATOM 0 HH TYR A 57 -1.462 11.981 -11.380 1.00 0.00 H new ATOM 918 N LEU A 58 -7.912 7.560 -6.612 1.00 0.00 N ATOM 919 CA LEU A 58 -8.530 6.713 -5.598 1.00 0.00 C ATOM 920 C LEU A 58 -9.294 5.560 -6.243 1.00 0.00 C ATOM 921 O LEU A 58 -8.992 4.391 -6.005 1.00 0.00 O ATOM 922 CB LEU A 58 -9.475 7.538 -4.722 1.00 0.00 C ATOM 923 CG LEU A 58 -8.882 8.802 -4.101 1.00 0.00 C ATOM 924 CD1 LEU A 58 -9.969 9.632 -3.437 1.00 0.00 C ATOM 925 CD2 LEU A 58 -7.794 8.444 -3.099 1.00 0.00 C ATOM 0 H LEU A 58 -8.290 8.506 -6.658 1.00 0.00 H new ATOM 0 HA LEU A 58 -7.737 6.297 -4.976 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -10.339 7.823 -5.323 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -9.842 6.900 -3.918 1.00 0.00 H new ATOM 0 HG LEU A 58 -8.434 9.398 -4.896 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -9.527 10.528 -3.001 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -10.713 9.919 -4.180 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -10.448 9.045 -2.653 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -7.383 9.356 -2.667 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -8.218 7.826 -2.307 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -7.001 7.893 -3.604 1.00 0.00 H new ATOM 937 N ASP A 59 -10.282 5.899 -7.063 1.00 0.00 N ATOM 938 CA ASP A 59 -11.087 4.892 -7.747 1.00 0.00 C ATOM 939 C ASP A 59 -10.210 3.981 -8.600 1.00 0.00 C ATOM 940 O ASP A 59 -10.292 2.758 -8.504 1.00 0.00 O ATOM 941 CB ASP A 59 -12.147 5.564 -8.622 1.00 0.00 C ATOM 942 CG ASP A 59 -13.233 4.600 -9.059 1.00 0.00 C ATOM 943 OD1 ASP A 59 -14.058 4.209 -8.207 1.00 0.00 O ATOM 944 OD2 ASP A 59 -13.256 4.235 -10.253 1.00 0.00 O ATOM 0 H ASP A 59 -10.545 6.862 -7.271 1.00 0.00 H new ATOM 0 HA ASP A 59 -11.583 4.284 -6.990 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -12.598 6.390 -8.072 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -11.669 5.992 -9.503 1.00 0.00 H new ATOM 949 N GLU A 60 -9.370 4.588 -9.433 1.00 0.00 N ATOM 950 CA GLU A 60 -8.479 3.830 -10.304 1.00 0.00 C ATOM 951 C GLU A 60 -7.786 2.711 -9.533 1.00 0.00 C ATOM 952 O GLU A 60 -7.880 1.541 -9.898 1.00 0.00 O ATOM 953 CB GLU A 60 -7.434 4.756 -10.931 1.00 0.00 C ATOM 954 CG GLU A 60 -7.943 5.513 -12.147 1.00 0.00 C ATOM 955 CD GLU A 60 -8.047 4.636 -13.379 1.00 0.00 C ATOM 956 OE1 GLU A 60 -8.738 3.599 -13.311 1.00 0.00 O ATOM 957 OE2 GLU A 60 -7.436 4.987 -14.410 1.00 0.00 O ATOM 0 H GLU A 60 -9.288 5.601 -9.523 1.00 0.00 H new ATOM 0 HA GLU A 60 -9.080 3.383 -11.096 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -7.099 5.473 -10.181 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -6.564 4.166 -11.219 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -8.922 5.936 -11.923 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -7.275 6.349 -12.356 1.00 0.00 H new ATOM 964 N ALA A 61 -7.090 3.082 -8.463 1.00 0.00 N ATOM 965 CA ALA A 61 -6.381 2.111 -7.638 1.00 0.00 C ATOM 966 C ALA A 61 -7.324 1.016 -7.147 1.00 0.00 C ATOM 967 O ALA A 61 -7.046 -0.172 -7.308 1.00 0.00 O ATOM 968 CB ALA A 61 -5.717 2.805 -6.459 1.00 0.00 C ATOM 0 H ALA A 61 -7.002 4.048 -8.147 1.00 0.00 H new ATOM 0 HA ALA A 61 -5.610 1.644 -8.251 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -5.191 2.068 -5.852 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -5.007 3.546 -6.826 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -6.476 3.299 -5.853 1.00 0.00 H new ATOM 974 N GLU A 62 -8.438 1.426 -6.550 1.00 0.00 N ATOM 975 CA GLU A 62 -9.421 0.478 -6.034 1.00 0.00 C ATOM 976 C GLU A 62 -9.652 -0.657 -7.027 1.00 0.00 C ATOM 977 O GLU A 62 -9.544 -1.834 -6.679 1.00 0.00 O ATOM 978 CB GLU A 62 -10.742 1.190 -5.739 1.00 0.00 C ATOM 979 CG GLU A 62 -10.720 2.006 -4.457 1.00 0.00 C ATOM 980 CD GLU A 62 -12.110 2.371 -3.974 1.00 0.00 C ATOM 981 OE1 GLU A 62 -12.900 2.900 -4.784 1.00 0.00 O ATOM 982 OE2 GLU A 62 -12.409 2.128 -2.786 1.00 0.00 O ATOM 0 H GLU A 62 -8.683 2.406 -6.411 1.00 0.00 H new ATOM 0 HA GLU A 62 -9.031 0.055 -5.108 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -10.985 1.847 -6.574 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -11.538 0.448 -5.674 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -10.206 1.441 -3.680 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -10.145 2.918 -4.621 1.00 0.00 H new ATOM 989 N LYS A 63 -9.974 -0.298 -8.265 1.00 0.00 N ATOM 990 CA LYS A 63 -10.221 -1.284 -9.310 1.00 0.00 C ATOM 991 C LYS A 63 -9.192 -2.407 -9.252 1.00 0.00 C ATOM 992 O LYS A 63 -9.528 -3.578 -9.430 1.00 0.00 O ATOM 993 CB LYS A 63 -10.188 -0.618 -10.687 1.00 0.00 C ATOM 994 CG LYS A 63 -11.455 0.153 -11.022 1.00 0.00 C ATOM 995 CD LYS A 63 -12.477 -0.731 -11.715 1.00 0.00 C ATOM 996 CE LYS A 63 -13.061 -1.763 -10.761 1.00 0.00 C ATOM 997 NZ LYS A 63 -12.262 -3.020 -10.746 1.00 0.00 N ATOM 0 H LYS A 63 -10.070 0.671 -8.569 1.00 0.00 H new ATOM 0 HA LYS A 63 -11.210 -1.712 -9.144 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -9.337 0.061 -10.732 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -10.026 -1.382 -11.447 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -11.886 0.562 -10.108 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -11.209 0.999 -11.664 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -13.279 -0.113 -12.120 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -12.009 -1.238 -12.559 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -13.101 -1.346 -9.755 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -14.087 -1.988 -11.053 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -12.798 -3.778 -11.215 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -11.365 -2.867 -11.250 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -12.064 -3.294 -9.762 1.00 0.00 H new ATOM 1011 N GLU A 64 -7.938 -2.044 -9.001 1.00 0.00 N ATOM 1012 CA GLU A 64 -6.860 -3.023 -8.919 1.00 0.00 C ATOM 1013 C GLU A 64 -7.053 -3.943 -7.717 1.00 0.00 C ATOM 1014 O GLU A 64 -6.859 -5.156 -7.811 1.00 0.00 O ATOM 1015 CB GLU A 64 -5.507 -2.317 -8.823 1.00 0.00 C ATOM 1016 CG GLU A 64 -5.197 -1.430 -10.018 1.00 0.00 C ATOM 1017 CD GLU A 64 -3.879 -0.695 -9.872 1.00 0.00 C ATOM 1018 OE1 GLU A 64 -3.839 0.312 -9.135 1.00 0.00 O ATOM 1019 OE2 GLU A 64 -2.886 -1.127 -10.496 1.00 0.00 O ATOM 0 H GLU A 64 -7.643 -1.079 -8.851 1.00 0.00 H new ATOM 0 HA GLU A 64 -6.882 -3.628 -9.825 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -5.486 -1.712 -7.917 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -4.722 -3.066 -8.724 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -5.171 -2.040 -10.921 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -6.001 -0.705 -10.146 1.00 0.00 H new ATOM 1026 N LYS A 65 -7.435 -3.360 -6.587 1.00 0.00 N ATOM 1027 CA LYS A 65 -7.654 -4.125 -5.365 1.00 0.00 C ATOM 1028 C LYS A 65 -8.586 -5.305 -5.624 1.00 0.00 C ATOM 1029 O LYS A 65 -8.261 -6.446 -5.297 1.00 0.00 O ATOM 1030 CB LYS A 65 -8.242 -3.227 -4.274 1.00 0.00 C ATOM 1031 CG LYS A 65 -8.280 -3.881 -2.904 1.00 0.00 C ATOM 1032 CD LYS A 65 -9.024 -3.020 -1.896 1.00 0.00 C ATOM 1033 CE LYS A 65 -8.590 -3.328 -0.472 1.00 0.00 C ATOM 1034 NZ LYS A 65 -9.514 -2.731 0.531 1.00 0.00 N ATOM 0 H LYS A 65 -7.600 -2.358 -6.491 1.00 0.00 H new ATOM 0 HA LYS A 65 -6.691 -4.510 -5.029 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -7.655 -2.311 -4.214 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -9.254 -2.939 -4.558 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -8.763 -4.855 -2.978 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -7.262 -4.055 -2.554 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -8.844 -1.967 -2.113 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -10.097 -3.187 -1.995 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -8.549 -4.408 -0.330 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -7.582 -2.947 -0.309 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -9.184 -2.964 1.489 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -9.534 -1.698 0.413 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -10.471 -3.114 0.392 1.00 0.00 H new ATOM 1048 N GLN A 66 -9.744 -5.022 -6.211 1.00 0.00 N ATOM 1049 CA GLN A 66 -10.720 -6.062 -6.513 1.00 0.00 C ATOM 1050 C GLN A 66 -10.048 -7.271 -7.152 1.00 0.00 C ATOM 1051 O GLN A 66 -10.341 -8.414 -6.799 1.00 0.00 O ATOM 1052 CB GLN A 66 -11.806 -5.516 -7.443 1.00 0.00 C ATOM 1053 CG GLN A 66 -12.815 -4.620 -6.741 1.00 0.00 C ATOM 1054 CD GLN A 66 -13.792 -5.402 -5.884 1.00 0.00 C ATOM 1055 OE1 GLN A 66 -14.852 -5.818 -6.354 1.00 0.00 O ATOM 1056 NE2 GLN A 66 -13.440 -5.606 -4.621 1.00 0.00 N ATOM 0 H GLN A 66 -10.029 -4.082 -6.487 1.00 0.00 H new ATOM 0 HA GLN A 66 -11.178 -6.378 -5.576 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -11.334 -4.955 -8.249 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -12.333 -6.352 -7.903 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -12.284 -3.901 -6.117 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -13.368 -4.048 -7.486 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -12.552 -5.243 -4.274 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -14.057 -6.126 -3.997 1.00 0.00 H new ATOM 1065 N GLN A 67 -9.148 -7.013 -8.095 1.00 0.00 N ATOM 1066 CA GLN A 67 -8.434 -8.082 -8.783 1.00 0.00 C ATOM 1067 C GLN A 67 -7.658 -8.944 -7.794 1.00 0.00 C ATOM 1068 O GLN A 67 -7.814 -10.166 -7.763 1.00 0.00 O ATOM 1069 CB GLN A 67 -7.480 -7.498 -9.827 1.00 0.00 C ATOM 1070 CG GLN A 67 -6.548 -8.529 -10.444 1.00 0.00 C ATOM 1071 CD GLN A 67 -5.370 -8.860 -9.549 1.00 0.00 C ATOM 1072 OE1 GLN A 67 -5.096 -10.027 -9.271 1.00 0.00 O ATOM 1073 NE2 GLN A 67 -4.665 -7.830 -9.094 1.00 0.00 N ATOM 0 H GLN A 67 -8.896 -6.073 -8.400 1.00 0.00 H new ATOM 0 HA GLN A 67 -9.170 -8.711 -9.285 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -8.064 -7.029 -10.619 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -6.883 -6.713 -9.363 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -7.108 -9.440 -10.653 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -6.180 -8.155 -11.399 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -4.929 -6.879 -9.350 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -3.860 -7.991 -8.488 1.00 0.00 H new ATOM 1082 N TYR A 68 -6.822 -8.302 -6.986 1.00 0.00 N ATOM 1083 CA TYR A 68 -6.019 -9.011 -5.996 1.00 0.00 C ATOM 1084 C TYR A 68 -6.898 -9.882 -5.104 1.00 0.00 C ATOM 1085 O TYR A 68 -6.550 -11.022 -4.791 1.00 0.00 O ATOM 1086 CB TYR A 68 -5.231 -8.017 -5.142 1.00 0.00 C ATOM 1087 CG TYR A 68 -4.949 -8.513 -3.742 1.00 0.00 C ATOM 1088 CD1 TYR A 68 -5.956 -8.567 -2.786 1.00 0.00 C ATOM 1089 CD2 TYR A 68 -3.675 -8.930 -3.375 1.00 0.00 C ATOM 1090 CE1 TYR A 68 -5.702 -9.018 -1.506 1.00 0.00 C ATOM 1091 CE2 TYR A 68 -3.413 -9.384 -2.096 1.00 0.00 C ATOM 1092 CZ TYR A 68 -4.430 -9.426 -1.165 1.00 0.00 C ATOM 1093 OH TYR A 68 -4.174 -9.878 0.109 1.00 0.00 O ATOM 0 H TYR A 68 -6.682 -7.292 -6.997 1.00 0.00 H new ATOM 0 HA TYR A 68 -5.320 -9.657 -6.527 1.00 0.00 H new ATOM 0 HB2 TYR A 68 -4.286 -7.795 -5.637 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -5.787 -7.081 -5.082 1.00 0.00 H new ATOM 0 HD1 TYR A 68 -6.955 -8.251 -3.049 1.00 0.00 H new ATOM 0 HD2 TYR A 68 -2.876 -8.899 -4.101 1.00 0.00 H new ATOM 0 HE1 TYR A 68 -6.496 -9.051 -0.775 1.00 0.00 H new ATOM 0 HE2 TYR A 68 -2.417 -9.704 -1.827 1.00 0.00 H new ATOM 0 HH TYR A 68 -3.229 -10.128 0.184 1.00 0.00 H new ATOM 1103 N LEU A 69 -8.039 -9.337 -4.696 1.00 0.00 N ATOM 1104 CA LEU A 69 -8.970 -10.062 -3.840 1.00 0.00 C ATOM 1105 C LEU A 69 -9.337 -11.410 -4.453 1.00 0.00 C ATOM 1106 O LEU A 69 -9.144 -12.459 -3.838 1.00 0.00 O ATOM 1107 CB LEU A 69 -10.234 -9.233 -3.609 1.00 0.00 C ATOM 1108 CG LEU A 69 -10.208 -8.290 -2.406 1.00 0.00 C ATOM 1109 CD1 LEU A 69 -11.336 -7.274 -2.498 1.00 0.00 C ATOM 1110 CD2 LEU A 69 -10.303 -9.080 -1.108 1.00 0.00 C ATOM 0 H LEU A 69 -8.341 -8.395 -4.945 1.00 0.00 H new ATOM 0 HA LEU A 69 -8.480 -10.240 -2.883 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -10.425 -8.642 -4.505 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -11.076 -9.916 -3.492 1.00 0.00 H new ATOM 0 HG LEU A 69 -9.261 -7.751 -2.412 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -11.301 -6.612 -1.633 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -11.223 -6.687 -3.409 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -12.294 -7.794 -2.518 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -10.283 -8.393 -0.262 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -11.234 -9.646 -1.094 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -9.460 -9.767 -1.038 1.00 0.00 H new ATOM 1122 N LYS A 70 -9.868 -11.374 -5.671 1.00 0.00 N ATOM 1123 CA LYS A 70 -10.259 -12.592 -6.371 1.00 0.00 C ATOM 1124 C LYS A 70 -9.140 -13.627 -6.331 1.00 0.00 C ATOM 1125 O LYS A 70 -9.322 -14.732 -5.823 1.00 0.00 O ATOM 1126 CB LYS A 70 -10.624 -12.275 -7.824 1.00 0.00 C ATOM 1127 CG LYS A 70 -12.083 -11.898 -8.016 1.00 0.00 C ATOM 1128 CD LYS A 70 -12.409 -10.572 -7.349 1.00 0.00 C ATOM 1129 CE LYS A 70 -13.866 -10.189 -7.555 1.00 0.00 C ATOM 1130 NZ LYS A 70 -14.211 -8.922 -6.852 1.00 0.00 N ATOM 0 H LYS A 70 -10.037 -10.515 -6.194 1.00 0.00 H new ATOM 0 HA LYS A 70 -11.131 -13.007 -5.866 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -9.996 -11.457 -8.177 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -10.397 -13.142 -8.444 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -12.306 -11.835 -9.081 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -12.719 -12.680 -7.603 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -12.196 -10.638 -6.282 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -11.765 -9.791 -7.755 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -14.065 -10.079 -8.621 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -14.507 -10.992 -7.192 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -15.212 -8.695 -7.017 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -14.045 -9.035 -5.832 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -13.617 -8.150 -7.216 1.00 0.00 H new ATOM 1144 N GLU A 71 -7.981 -13.259 -6.870 1.00 0.00 N ATOM 1145 CA GLU A 71 -6.832 -14.157 -6.895 1.00 0.00 C ATOM 1146 C GLU A 71 -6.666 -14.864 -5.552 1.00 0.00 C ATOM 1147 O GLU A 71 -6.668 -16.093 -5.481 1.00 0.00 O ATOM 1148 CB GLU A 71 -5.558 -13.382 -7.237 1.00 0.00 C ATOM 1149 CG GLU A 71 -5.265 -13.321 -8.728 1.00 0.00 C ATOM 1150 CD GLU A 71 -4.629 -14.596 -9.248 1.00 0.00 C ATOM 1151 OE1 GLU A 71 -3.392 -14.726 -9.143 1.00 0.00 O ATOM 1152 OE2 GLU A 71 -5.368 -15.462 -9.761 1.00 0.00 O ATOM 0 H GLU A 71 -7.813 -12.347 -7.294 1.00 0.00 H new ATOM 0 HA GLU A 71 -7.007 -14.910 -7.664 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -5.645 -12.367 -6.850 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -4.713 -13.845 -6.728 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -6.192 -13.134 -9.270 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -4.602 -12.480 -8.931 1.00 0.00 H new ATOM 1159 N LEU A 72 -6.520 -14.078 -4.492 1.00 0.00 N ATOM 1160 CA LEU A 72 -6.350 -14.628 -3.150 1.00 0.00 C ATOM 1161 C LEU A 72 -7.103 -15.947 -3.004 1.00 0.00 C ATOM 1162 O LEU A 72 -6.497 -17.018 -2.983 1.00 0.00 O ATOM 1163 CB LEU A 72 -6.842 -13.627 -2.103 1.00 0.00 C ATOM 1164 CG LEU A 72 -6.629 -14.026 -0.643 1.00 0.00 C ATOM 1165 CD1 LEU A 72 -5.256 -14.651 -0.454 1.00 0.00 C ATOM 1166 CD2 LEU A 72 -6.798 -12.820 0.270 1.00 0.00 C ATOM 0 H LEU A 72 -6.516 -13.059 -4.534 1.00 0.00 H new ATOM 0 HA LEU A 72 -5.288 -14.818 -2.992 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -6.340 -12.675 -2.276 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -7.907 -13.460 -2.262 1.00 0.00 H new ATOM 0 HG LEU A 72 -7.382 -14.767 -0.376 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -5.123 -14.928 0.592 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -5.172 -15.540 -1.079 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -4.487 -13.933 -0.739 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -6.643 -13.123 1.305 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -6.068 -12.056 0.002 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -7.804 -12.416 0.157 1.00 0.00 H new ATOM 1178 N TRP A 73 -8.424 -15.859 -2.904 1.00 0.00 N ATOM 1179 CA TRP A 73 -9.259 -17.047 -2.761 1.00 0.00 C ATOM 1180 C TRP A 73 -9.377 -17.793 -4.086 1.00 0.00 C ATOM 1181 O TRP A 73 -9.067 -18.981 -4.169 1.00 0.00 O ATOM 1182 CB TRP A 73 -10.650 -16.660 -2.255 1.00 0.00 C ATOM 1183 CG TRP A 73 -11.260 -15.518 -3.010 1.00 0.00 C ATOM 1184 CD1 TRP A 73 -10.929 -14.197 -2.907 1.00 0.00 C ATOM 1185 CD2 TRP A 73 -12.309 -15.597 -3.982 1.00 0.00 C ATOM 1186 NE1 TRP A 73 -11.708 -13.449 -3.757 1.00 0.00 N ATOM 1187 CE2 TRP A 73 -12.563 -14.285 -4.427 1.00 0.00 C ATOM 1188 CE3 TRP A 73 -13.057 -16.647 -4.520 1.00 0.00 C ATOM 1189 CZ2 TRP A 73 -13.532 -13.999 -5.384 1.00 0.00 C ATOM 1190 CZ3 TRP A 73 -14.019 -16.361 -5.469 1.00 0.00 C ATOM 1191 CH2 TRP A 73 -14.250 -15.047 -5.894 1.00 0.00 C ATOM 0 H TRP A 73 -8.940 -14.979 -2.919 1.00 0.00 H new ATOM 0 HA TRP A 73 -8.786 -17.707 -2.034 1.00 0.00 H new ATOM 0 HB2 TRP A 73 -11.308 -17.526 -2.326 1.00 0.00 H new ATOM 0 HB3 TRP A 73 -10.584 -16.395 -1.200 1.00 0.00 H new ATOM 0 HD1 TRP A 73 -10.167 -13.799 -2.254 1.00 0.00 H new ATOM 0 HE1 TRP A 73 -11.658 -12.437 -3.871 1.00 0.00 H new ATOM 0 HE3 TRP A 73 -12.886 -17.664 -4.200 1.00 0.00 H new ATOM 0 HZ2 TRP A 73 -13.711 -12.986 -5.713 1.00 0.00 H new ATOM 0 HZ3 TRP A 73 -14.603 -17.165 -5.891 1.00 0.00 H new ATOM 0 HH2 TRP A 73 -15.009 -14.857 -6.638 1.00 0.00 H new ATOM 1202 N ALA A 74 -9.825 -17.087 -5.119 1.00 0.00 N ATOM 1203 CA ALA A 74 -9.981 -17.683 -6.441 1.00 0.00 C ATOM 1204 C ALA A 74 -8.916 -18.745 -6.692 1.00 0.00 C ATOM 1205 O ALA A 74 -9.180 -19.761 -7.338 1.00 0.00 O ATOM 1206 CB ALA A 74 -9.920 -16.607 -7.515 1.00 0.00 C ATOM 0 H ALA A 74 -10.086 -16.102 -5.066 1.00 0.00 H new ATOM 0 HA ALA A 74 -10.957 -18.167 -6.482 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -10.038 -17.066 -8.497 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -10.721 -15.886 -7.353 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -8.958 -16.098 -7.466 1.00 0.00 H new ATOM 1212 N TYR A 75 -7.715 -18.506 -6.179 1.00 0.00 N ATOM 1213 CA TYR A 75 -6.610 -19.442 -6.351 1.00 0.00 C ATOM 1214 C TYR A 75 -6.646 -20.530 -5.282 1.00 0.00 C ATOM 1215 O TYR A 75 -6.553 -21.718 -5.588 1.00 0.00 O ATOM 1216 CB TYR A 75 -5.274 -18.701 -6.297 1.00 0.00 C ATOM 1217 CG TYR A 75 -4.132 -19.547 -5.778 1.00 0.00 C ATOM 1218 CD1 TYR A 75 -3.684 -20.654 -6.487 1.00 0.00 C ATOM 1219 CD2 TYR A 75 -3.503 -19.239 -4.578 1.00 0.00 C ATOM 1220 CE1 TYR A 75 -2.642 -21.430 -6.017 1.00 0.00 C ATOM 1221 CE2 TYR A 75 -2.460 -20.008 -4.100 1.00 0.00 C ATOM 1222 CZ TYR A 75 -2.034 -21.103 -4.823 1.00 0.00 C ATOM 1223 OH TYR A 75 -0.995 -21.873 -4.351 1.00 0.00 O ATOM 0 H TYR A 75 -7.481 -17.672 -5.640 1.00 0.00 H new ATOM 0 HA TYR A 75 -6.716 -19.915 -7.327 1.00 0.00 H new ATOM 0 HB2 TYR A 75 -5.026 -18.344 -7.296 1.00 0.00 H new ATOM 0 HB3 TYR A 75 -5.381 -17.822 -5.662 1.00 0.00 H new ATOM 0 HD1 TYR A 75 -4.158 -20.913 -7.422 1.00 0.00 H new ATOM 0 HD2 TYR A 75 -3.835 -18.383 -4.009 1.00 0.00 H new ATOM 0 HE1 TYR A 75 -2.306 -22.287 -6.581 1.00 0.00 H new ATOM 0 HE2 TYR A 75 -1.981 -19.754 -3.166 1.00 0.00 H new ATOM 0 HH TYR A 75 -0.677 -21.507 -3.499 1.00 0.00 H new ATOM 1233 N GLN A 76 -6.781 -20.112 -4.027 1.00 0.00 N ATOM 1234 CA GLN A 76 -6.828 -21.050 -2.912 1.00 0.00 C ATOM 1235 C GLN A 76 -7.742 -22.230 -3.232 1.00 0.00 C ATOM 1236 O GLN A 76 -7.526 -23.341 -2.749 1.00 0.00 O ATOM 1237 CB GLN A 76 -7.313 -20.344 -1.645 1.00 0.00 C ATOM 1238 CG GLN A 76 -6.239 -19.510 -0.965 1.00 0.00 C ATOM 1239 CD GLN A 76 -6.641 -19.061 0.426 1.00 0.00 C ATOM 1240 OE1 GLN A 76 -6.229 -19.650 1.425 1.00 0.00 O ATOM 1241 NE2 GLN A 76 -7.451 -18.011 0.497 1.00 0.00 N ATOM 0 H GLN A 76 -6.860 -19.131 -3.758 1.00 0.00 H new ATOM 0 HA GLN A 76 -5.820 -21.429 -2.745 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -8.156 -19.700 -1.897 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -7.682 -21.090 -0.941 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -5.319 -20.091 -0.903 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -6.023 -18.634 -1.577 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -7.768 -17.553 -0.357 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -7.756 -17.663 1.406 1.00 0.00 H new ATOM 1250 N GLN A 77 -8.761 -21.979 -4.046 1.00 0.00 N ATOM 1251 CA GLN A 77 -9.707 -23.020 -4.428 1.00 0.00 C ATOM 1252 C GLN A 77 -9.061 -24.020 -5.383 1.00 0.00 C ATOM 1253 O GLN A 77 -9.334 -25.218 -5.321 1.00 0.00 O ATOM 1254 CB GLN A 77 -10.945 -22.401 -5.080 1.00 0.00 C ATOM 1255 CG GLN A 77 -11.874 -21.714 -4.092 1.00 0.00 C ATOM 1256 CD GLN A 77 -12.372 -22.652 -3.011 1.00 0.00 C ATOM 1257 OE1 GLN A 77 -12.368 -23.873 -3.181 1.00 0.00 O ATOM 1258 NE2 GLN A 77 -12.806 -22.088 -1.890 1.00 0.00 N ATOM 0 H GLN A 77 -8.953 -21.064 -4.454 1.00 0.00 H new ATOM 0 HA GLN A 77 -10.008 -23.550 -3.525 1.00 0.00 H new ATOM 0 HB2 GLN A 77 -10.627 -21.677 -5.830 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -11.498 -23.181 -5.604 1.00 0.00 H new ATOM 0 HG2 GLN A 77 -11.351 -20.877 -3.629 1.00 0.00 H new ATOM 0 HG3 GLN A 77 -12.727 -21.299 -4.629 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -12.792 -21.073 -1.791 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -13.154 -22.670 -1.128 1.00 0.00 H new ATOM 1267 N SER A 78 -8.202 -23.517 -6.264 1.00 0.00 N ATOM 1268 CA SER A 78 -7.520 -24.366 -7.234 1.00 0.00 C ATOM 1269 C SER A 78 -7.095 -25.686 -6.598 1.00 0.00 C ATOM 1270 O SER A 78 -6.548 -25.709 -5.497 1.00 0.00 O ATOM 1271 CB SER A 78 -6.297 -23.644 -7.803 1.00 0.00 C ATOM 1272 OG SER A 78 -5.718 -24.380 -8.866 1.00 0.00 O ATOM 0 H SER A 78 -7.962 -22.528 -6.326 1.00 0.00 H new ATOM 0 HA SER A 78 -8.216 -24.582 -8.044 1.00 0.00 H new ATOM 0 HB2 SER A 78 -6.587 -22.655 -8.157 1.00 0.00 H new ATOM 0 HB3 SER A 78 -5.559 -23.496 -7.015 1.00 0.00 H new ATOM 0 HG SER A 78 -4.940 -23.896 -9.213 1.00 0.00 H new ATOM 1278 N GLU A 79 -7.354 -26.784 -7.302 1.00 0.00 N ATOM 1279 CA GLU A 79 -7.001 -28.108 -6.806 1.00 0.00 C ATOM 1280 C GLU A 79 -5.513 -28.187 -6.475 1.00 0.00 C ATOM 1281 O GLU A 79 -5.127 -28.677 -5.415 1.00 0.00 O ATOM 1282 CB GLU A 79 -7.360 -29.178 -7.840 1.00 0.00 C ATOM 1283 CG GLU A 79 -8.853 -29.438 -7.951 1.00 0.00 C ATOM 1284 CD GLU A 79 -9.352 -30.426 -6.914 1.00 0.00 C ATOM 1285 OE1 GLU A 79 -8.952 -31.607 -6.977 1.00 0.00 O ATOM 1286 OE2 GLU A 79 -10.143 -30.015 -6.038 1.00 0.00 O ATOM 0 H GLU A 79 -7.806 -26.782 -8.216 1.00 0.00 H new ATOM 0 HA GLU A 79 -7.570 -28.288 -5.894 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -6.979 -28.872 -8.814 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -6.856 -30.108 -7.578 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -9.391 -28.497 -7.839 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -9.079 -29.818 -8.947 1.00 0.00 H new ATOM 1293 N ALA A 80 -4.683 -27.698 -7.391 1.00 0.00 N ATOM 1294 CA ALA A 80 -3.238 -27.711 -7.196 1.00 0.00 C ATOM 1295 C ALA A 80 -2.869 -27.245 -5.792 1.00 0.00 C ATOM 1296 O ALA A 80 -1.889 -27.710 -5.210 1.00 0.00 O ATOM 1297 CB ALA A 80 -2.557 -26.837 -8.240 1.00 0.00 C ATOM 0 H ALA A 80 -4.986 -27.288 -8.275 1.00 0.00 H new ATOM 0 HA ALA A 80 -2.890 -28.737 -7.313 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -1.479 -26.856 -8.083 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -2.785 -27.216 -9.236 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -2.919 -25.813 -8.149 1.00 0.00 H new ATOM 1303 N TYR A 81 -3.660 -26.324 -5.253 1.00 0.00 N ATOM 1304 CA TYR A 81 -3.415 -25.794 -3.916 1.00 0.00 C ATOM 1305 C TYR A 81 -3.723 -26.839 -2.850 1.00 0.00 C ATOM 1306 O TYR A 81 -2.952 -27.032 -1.910 1.00 0.00 O ATOM 1307 CB TYR A 81 -4.261 -24.542 -3.679 1.00 0.00 C ATOM 1308 CG TYR A 81 -3.958 -23.845 -2.371 1.00 0.00 C ATOM 1309 CD1 TYR A 81 -2.716 -23.267 -2.140 1.00 0.00 C ATOM 1310 CD2 TYR A 81 -4.915 -23.766 -1.367 1.00 0.00 C ATOM 1311 CE1 TYR A 81 -2.436 -22.630 -0.947 1.00 0.00 C ATOM 1312 CE2 TYR A 81 -4.644 -23.131 -0.171 1.00 0.00 C ATOM 1313 CZ TYR A 81 -3.403 -22.565 0.035 1.00 0.00 C ATOM 1314 OH TYR A 81 -3.128 -21.932 1.225 1.00 0.00 O ATOM 0 H TYR A 81 -4.476 -25.929 -5.721 1.00 0.00 H new ATOM 0 HA TYR A 81 -2.360 -25.531 -3.845 1.00 0.00 H new ATOM 0 HB2 TYR A 81 -4.099 -23.843 -4.500 1.00 0.00 H new ATOM 0 HB3 TYR A 81 -5.316 -24.817 -3.699 1.00 0.00 H new ATOM 0 HD1 TYR A 81 -1.957 -23.317 -2.906 1.00 0.00 H new ATOM 0 HD2 TYR A 81 -5.887 -24.209 -1.525 1.00 0.00 H new ATOM 0 HE1 TYR A 81 -1.465 -22.185 -0.784 1.00 0.00 H new ATOM 0 HE2 TYR A 81 -5.400 -23.078 0.599 1.00 0.00 H new ATOM 0 HH TYR A 81 -3.915 -21.974 1.807 1.00 0.00 H new ATOM 1324 N LYS A 82 -4.858 -27.514 -3.003 1.00 0.00 N ATOM 1325 CA LYS A 82 -5.271 -28.542 -2.055 1.00 0.00 C ATOM 1326 C LYS A 82 -4.395 -29.785 -2.184 1.00 0.00 C ATOM 1327 O LYS A 82 -3.806 -30.245 -1.205 1.00 0.00 O ATOM 1328 CB LYS A 82 -6.738 -28.914 -2.282 1.00 0.00 C ATOM 1329 CG LYS A 82 -7.716 -27.863 -1.785 1.00 0.00 C ATOM 1330 CD LYS A 82 -9.028 -27.917 -2.550 1.00 0.00 C ATOM 1331 CE LYS A 82 -9.843 -29.143 -2.173 1.00 0.00 C ATOM 1332 NZ LYS A 82 -10.351 -29.063 -0.775 1.00 0.00 N ATOM 0 H LYS A 82 -5.508 -27.367 -3.775 1.00 0.00 H new ATOM 0 HA LYS A 82 -5.155 -28.140 -1.048 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -6.902 -29.076 -3.347 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -6.946 -29.859 -1.780 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -7.907 -28.015 -0.723 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -7.273 -26.873 -1.891 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -9.607 -27.017 -2.345 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -8.826 -27.929 -3.621 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -10.683 -29.246 -2.859 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -9.229 -30.036 -2.286 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -11.109 -29.762 -0.641 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -9.575 -29.262 -0.112 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -10.724 -28.109 -0.595 1.00 0.00 H new ATOM 1346 N VAL A 83 -4.312 -30.321 -3.396 1.00 0.00 N ATOM 1347 CA VAL A 83 -3.506 -31.509 -3.654 1.00 0.00 C ATOM 1348 C VAL A 83 -2.147 -31.408 -2.970 1.00 0.00 C ATOM 1349 O VAL A 83 -1.676 -32.370 -2.361 1.00 0.00 O ATOM 1350 CB VAL A 83 -3.294 -31.727 -5.164 1.00 0.00 C ATOM 1351 CG1 VAL A 83 -2.459 -30.600 -5.753 1.00 0.00 C ATOM 1352 CG2 VAL A 83 -2.640 -33.076 -5.420 1.00 0.00 C ATOM 0 H VAL A 83 -4.793 -29.952 -4.216 1.00 0.00 H new ATOM 0 HA VAL A 83 -4.054 -32.359 -3.246 1.00 0.00 H new ATOM 0 HB VAL A 83 -4.267 -31.722 -5.655 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -2.319 -30.770 -6.820 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -2.971 -29.650 -5.601 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -1.487 -30.571 -5.260 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -2.498 -33.214 -6.492 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -1.673 -33.113 -4.918 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -3.280 -33.870 -5.034 1.00 0.00 H new ATOM 1362 N CYS A 84 -1.523 -30.240 -3.073 1.00 0.00 N ATOM 1363 CA CYS A 84 -0.217 -30.014 -2.465 1.00 0.00 C ATOM 1364 C CYS A 84 -0.288 -30.178 -0.950 1.00 0.00 C ATOM 1365 O CYS A 84 -1.372 -30.213 -0.367 1.00 0.00 O ATOM 1366 CB CYS A 84 0.297 -28.617 -2.815 1.00 0.00 C ATOM 1367 SG CYS A 84 1.122 -28.514 -4.420 1.00 0.00 S ATOM 0 H CYS A 84 -1.901 -29.435 -3.572 1.00 0.00 H new ATOM 0 HA CYS A 84 0.475 -30.757 -2.861 1.00 0.00 H new ATOM 0 HB2 CYS A 84 -0.541 -27.920 -2.804 1.00 0.00 H new ATOM 0 HB3 CYS A 84 0.992 -28.293 -2.040 1.00 0.00 H new ATOM 0 HG CYS A 84 0.256 -28.186 -5.333 1.00 0.00 H new ATOM 1373 N THR A 85 0.877 -30.282 -0.316 1.00 0.00 N ATOM 1374 CA THR A 85 0.947 -30.446 1.130 1.00 0.00 C ATOM 1375 C THR A 85 0.106 -29.395 1.845 1.00 0.00 C ATOM 1376 O THR A 85 0.387 -28.199 1.759 1.00 0.00 O ATOM 1377 CB THR A 85 2.399 -30.355 1.635 1.00 0.00 C ATOM 1378 OG1 THR A 85 2.465 -30.743 3.011 1.00 0.00 O ATOM 1379 CG2 THR A 85 2.940 -28.941 1.476 1.00 0.00 C ATOM 0 H THR A 85 1.784 -30.255 -0.782 1.00 0.00 H new ATOM 0 HA THR A 85 0.552 -31.437 1.355 1.00 0.00 H new ATOM 0 HB THR A 85 3.010 -31.031 1.037 1.00 0.00 H new ATOM 0 HG1 THR A 85 3.392 -30.684 3.323 1.00 0.00 H new ATOM 0 HG21 THR A 85 3.967 -28.901 1.839 1.00 0.00 H new ATOM 0 HG22 THR A 85 2.916 -28.659 0.423 1.00 0.00 H new ATOM 0 HG23 THR A 85 2.325 -28.249 2.051 1.00 0.00 H new ATOM 1387 N GLU A 86 -0.927 -29.848 2.548 1.00 0.00 N ATOM 1388 CA GLU A 86 -1.808 -28.944 3.278 1.00 0.00 C ATOM 1389 C GLU A 86 -2.795 -29.726 4.140 1.00 0.00 C ATOM 1390 O GLU A 86 -3.445 -30.659 3.668 1.00 0.00 O ATOM 1391 CB GLU A 86 -2.569 -28.042 2.304 1.00 0.00 C ATOM 1392 CG GLU A 86 -3.052 -26.743 2.929 1.00 0.00 C ATOM 1393 CD GLU A 86 -1.956 -26.017 3.685 1.00 0.00 C ATOM 1394 OE1 GLU A 86 -0.934 -25.669 3.060 1.00 0.00 O ATOM 1395 OE2 GLU A 86 -2.124 -25.796 4.903 1.00 0.00 O ATOM 0 H GLU A 86 -1.174 -30.834 2.628 1.00 0.00 H new ATOM 0 HA GLU A 86 -1.192 -28.325 3.931 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -1.924 -27.810 1.457 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -3.427 -28.588 1.911 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -3.442 -26.091 2.147 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -3.877 -26.956 3.608 1.00 0.00 H new ATOM 1402 N SER A 87 -2.902 -29.339 5.407 1.00 0.00 N ATOM 1403 CA SER A 87 -3.806 -30.005 6.337 1.00 0.00 C ATOM 1404 C SER A 87 -5.148 -30.299 5.674 1.00 0.00 C ATOM 1405 O SER A 87 -5.790 -29.405 5.123 1.00 0.00 O ATOM 1406 CB SER A 87 -4.018 -29.142 7.582 1.00 0.00 C ATOM 1407 OG SER A 87 -4.701 -29.863 8.592 1.00 0.00 O ATOM 0 H SER A 87 -2.373 -28.567 5.813 1.00 0.00 H new ATOM 0 HA SER A 87 -3.351 -30.951 6.632 1.00 0.00 H new ATOM 0 HB2 SER A 87 -3.054 -28.803 7.962 1.00 0.00 H new ATOM 0 HB3 SER A 87 -4.588 -28.251 7.318 1.00 0.00 H new ATOM 0 HG SER A 87 -4.823 -29.290 9.378 1.00 0.00 H new ATOM 1413 N GLY A 88 -5.567 -31.559 5.732 1.00 0.00 N ATOM 1414 CA GLY A 88 -6.830 -31.950 5.133 1.00 0.00 C ATOM 1415 C GLY A 88 -7.676 -32.795 6.065 1.00 0.00 C ATOM 1416 O GLY A 88 -7.691 -34.023 5.982 1.00 0.00 O ATOM 0 H GLY A 88 -5.054 -32.317 6.183 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -7.387 -31.057 4.851 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -6.637 -32.508 4.217 1.00 0.00 H new ATOM 1420 N PRO A 89 -8.400 -32.131 6.978 1.00 0.00 N ATOM 1421 CA PRO A 89 -9.266 -32.809 7.948 1.00 0.00 C ATOM 1422 C PRO A 89 -10.490 -33.438 7.291 1.00 0.00 C ATOM 1423 O PRO A 89 -10.920 -34.527 7.674 1.00 0.00 O ATOM 1424 CB PRO A 89 -9.687 -31.684 8.896 1.00 0.00 C ATOM 1425 CG PRO A 89 -9.577 -30.441 8.081 1.00 0.00 C ATOM 1426 CD PRO A 89 -8.431 -30.666 7.135 1.00 0.00 C ATOM 0 HA PRO A 89 -8.754 -33.633 8.445 1.00 0.00 H new ATOM 0 HB2 PRO A 89 -10.705 -31.831 9.258 1.00 0.00 H new ATOM 0 HB3 PRO A 89 -9.040 -31.642 9.772 1.00 0.00 H new ATOM 0 HG2 PRO A 89 -10.501 -30.249 7.536 1.00 0.00 H new ATOM 0 HG3 PRO A 89 -9.395 -29.573 8.715 1.00 0.00 H new ATOM 0 HD2 PRO A 89 -8.592 -30.163 6.182 1.00 0.00 H new ATOM 0 HD3 PRO A 89 -7.494 -30.286 7.541 1.00 0.00 H new ATOM 1434 N SER A 90 -11.046 -32.748 6.301 1.00 0.00 N ATOM 1435 CA SER A 90 -12.223 -33.238 5.594 1.00 0.00 C ATOM 1436 C SER A 90 -12.082 -34.722 5.270 1.00 0.00 C ATOM 1437 O SER A 90 -11.200 -35.122 4.510 1.00 0.00 O ATOM 1438 CB SER A 90 -12.438 -32.441 4.306 1.00 0.00 C ATOM 1439 OG SER A 90 -12.901 -31.132 4.589 1.00 0.00 O ATOM 0 H SER A 90 -10.700 -31.847 5.970 1.00 0.00 H new ATOM 0 HA SER A 90 -13.089 -33.106 6.243 1.00 0.00 H new ATOM 0 HB2 SER A 90 -11.504 -32.387 3.747 1.00 0.00 H new ATOM 0 HB3 SER A 90 -13.159 -32.956 3.672 1.00 0.00 H new ATOM 0 HG SER A 90 -13.029 -30.642 3.750 1.00 0.00 H new ATOM 1445 N SER A 91 -12.960 -35.535 5.850 1.00 0.00 N ATOM 1446 CA SER A 91 -12.933 -36.975 5.627 1.00 0.00 C ATOM 1447 C SER A 91 -13.125 -37.300 4.148 1.00 0.00 C ATOM 1448 O SER A 91 -12.253 -37.888 3.511 1.00 0.00 O ATOM 1449 CB SER A 91 -14.018 -37.662 6.457 1.00 0.00 C ATOM 1450 OG SER A 91 -13.703 -37.626 7.838 1.00 0.00 O ATOM 0 H SER A 91 -13.699 -35.220 6.478 1.00 0.00 H new ATOM 0 HA SER A 91 -11.957 -37.347 5.939 1.00 0.00 H new ATOM 0 HB2 SER A 91 -14.976 -37.171 6.286 1.00 0.00 H new ATOM 0 HB3 SER A 91 -14.128 -38.697 6.133 1.00 0.00 H new ATOM 0 HG SER A 91 -14.413 -38.070 8.347 1.00 0.00 H new ATOM 1456 N GLY A 92 -14.276 -36.910 3.608 1.00 0.00 N ATOM 1457 CA GLY A 92 -14.565 -37.167 2.210 1.00 0.00 C ATOM 1458 C GLY A 92 -15.927 -37.799 2.005 1.00 0.00 C ATOM 1459 O GLY A 92 -16.955 -37.166 2.245 1.00 0.00 O ATOM 0 H GLY A 92 -15.014 -36.420 4.115 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -14.515 -36.231 1.654 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -13.798 -37.823 1.799 1.00 0.00 H new TER 1463 GLY A 92