USER MOD reduce.3.24.130724 H: found=0, std=0, add=848, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 848 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 61 SER OG : rot 150:sc= -0.651 USER MOD Set 1.2: A 67 MET CE :methyl 150:sc= 0 (180deg=0) USER MOD Single : A 1 MET CE :methyl -163:sc= -0.0797 (180deg=-0.477) USER MOD Single : A 1 MET N :NH3+ -166:sc= -0.0459 (180deg=-0.34) USER MOD Single : A 10 LYS NZ :NH3+ -168:sc= -0.0231 (180deg=-0.18) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 17 ASN : amide:sc= -0.96 K(o=-0.96,f=-0.087) USER MOD Single : A 21 GLN : amide:sc= -5.09! C(o=-5.1!,f=-2.9!) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 HIS : no HD1:sc= -0.087 K(o=-0.087,f=-0.63) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 THR OG1 : rot 180:sc= -0.199 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 38 GLN : amide:sc= -0.722 X(o=-0.72,f=-0.3) USER MOD Single : A 40 TYR OH : rot 86:sc= 0.94 USER MOD Single : A 54 LYS NZ :NH3+ -160:sc= -0.113 (180deg=-0.502) USER MOD Single : A 55 MET CE :methyl -167:sc= -0.712 (180deg=-1.08) USER MOD Single : A 60 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0943) USER MOD Single : A 64 SER OG : rot -31:sc= 1.24 USER MOD Single : A 70 ASN : amide:sc= -0.222 X(o=-0.22,f=-0.55) USER MOD Single : A 71 GLN : amide:sc= -0.425 K(o=-0.42,f=-4.6!) USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 GLN : amide:sc= -2.43 K(o=-2.4,f=-6.7!) USER MOD Single : A 80 THR OG1 : rot -11:sc= 0.363 USER MOD Single : A 81 LYS NZ :NH3+ -131:sc= -0.086 (180deg=-0.571) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 90 GLN : amide:sc= -3.41! K(o=-3.4!,f=-0.48) USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 SER OG : rot -16:sc= 0.156 USER MOD Single : A 101 HIS : no HD1:sc=-0.00689 K(o=-0.0069,f=-1.4!) USER MOD Single : A 102 LYS NZ :NH3+ -163:sc= 0 (180deg=-0.072) USER MOD Single : A 103 THR OG1 : rot -116:sc= 1.26 USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 17.352 -1.984 11.093 1.00 7.33 N ATOM 2 CA MET A 1 17.489 -3.221 11.904 1.00 7.27 C ATOM 3 C MET A 1 16.382 -4.215 11.567 1.00 6.81 C ATOM 4 O MET A 1 15.246 -3.824 11.297 1.00 7.12 O ATOM 5 CB MET A 1 17.439 -2.882 13.395 1.00 7.99 C ATOM 6 CG MET A 1 18.461 -1.839 13.818 1.00 8.65 C ATOM 7 SD MET A 1 20.160 -2.376 13.544 1.00 9.34 S ATOM 8 CE MET A 1 20.272 -3.740 14.700 1.00 9.99 C ATOM 0 H1 MET A 1 18.229 -1.428 11.157 1.00 7.33 H new ATOM 0 H2 MET A 1 17.174 -2.238 10.100 1.00 7.33 H new ATOM 0 H3 MET A 1 16.557 -1.419 11.453 1.00 7.33 H new ATOM 0 HA MET A 1 18.451 -3.676 11.669 1.00 7.27 H new ATOM 0 HB2 MET A 1 16.441 -2.522 13.644 1.00 7.99 H new ATOM 0 HB3 MET A 1 17.602 -3.793 13.972 1.00 7.99 H new ATOM 0 HG2 MET A 1 18.282 -0.917 13.265 1.00 8.65 H new ATOM 0 HG3 MET A 1 18.323 -1.609 14.875 1.00 8.65 H new ATOM 0 HE1 MET A 1 21.320 -3.983 14.875 1.00 9.99 H new ATOM 0 HE2 MET A 1 19.802 -3.458 15.642 1.00 9.99 H new ATOM 0 HE3 MET A 1 19.762 -4.610 14.287 1.00 9.99 H new ATOM 20 N ALA A 2 16.723 -5.501 11.586 1.00 6.40 N ATOM 21 CA ALA A 2 15.760 -6.555 11.284 1.00 6.31 C ATOM 22 C ALA A 2 15.140 -6.354 9.905 1.00 5.60 C ATOM 23 O ALA A 2 13.994 -6.737 9.668 1.00 5.72 O ATOM 24 CB ALA A 2 14.675 -6.602 12.351 1.00 6.96 C ATOM 0 H ALA A 2 17.660 -5.838 11.808 1.00 6.40 H new ATOM 0 HA ALA A 2 16.291 -7.507 11.280 1.00 6.31 H new ATOM 0 HB1 ALA A 2 13.964 -7.393 12.112 1.00 6.96 H new ATOM 0 HB2 ALA A 2 15.128 -6.802 13.322 1.00 6.96 H new ATOM 0 HB3 ALA A 2 14.155 -5.645 12.384 1.00 6.96 H new ATOM 30 N ALA A 3 15.910 -5.755 9.000 1.00 5.19 N ATOM 31 CA ALA A 3 15.443 -5.498 7.643 1.00 4.77 C ATOM 32 C ALA A 3 14.176 -4.650 7.650 1.00 4.00 C ATOM 33 O ALA A 3 13.063 -5.178 7.676 1.00 4.10 O ATOM 34 CB ALA A 3 15.204 -6.808 6.906 1.00 5.44 C ATOM 0 H ALA A 3 16.862 -5.438 9.184 1.00 5.19 H new ATOM 0 HA ALA A 3 16.219 -4.940 7.119 1.00 4.77 H new ATOM 0 HB1 ALA A 3 14.856 -6.598 5.895 1.00 5.44 H new ATOM 0 HB2 ALA A 3 16.134 -7.374 6.859 1.00 5.44 H new ATOM 0 HB3 ALA A 3 14.451 -7.391 7.435 1.00 5.44 H new ATOM 40 N GLY A 4 14.351 -3.332 7.633 1.00 3.77 N ATOM 41 CA GLY A 4 13.214 -2.432 7.639 1.00 3.60 C ATOM 42 C GLY A 4 13.573 -1.039 7.158 1.00 3.08 C ATOM 43 O GLY A 4 13.844 -0.148 7.961 1.00 3.63 O ATOM 0 H GLY A 4 15.261 -2.872 7.615 1.00 3.77 H new ATOM 0 HA2 GLY A 4 12.428 -2.841 7.004 1.00 3.60 H new ATOM 0 HA3 GLY A 4 12.808 -2.371 8.649 1.00 3.60 H new ATOM 47 N GLU A 5 13.575 -0.855 5.842 1.00 2.62 N ATOM 48 CA GLU A 5 13.900 0.437 5.250 1.00 2.68 C ATOM 49 C GLU A 5 12.633 1.250 5.005 1.00 2.07 C ATOM 50 O GLU A 5 12.642 2.226 4.253 1.00 2.47 O ATOM 51 CB GLU A 5 14.660 0.242 3.936 1.00 3.54 C ATOM 52 CG GLU A 5 15.998 -0.459 4.105 1.00 4.10 C ATOM 53 CD GLU A 5 16.954 0.312 4.993 1.00 4.75 C ATOM 54 OE1 GLU A 5 16.930 0.095 6.223 1.00 5.15 O ATOM 55 OE2 GLU A 5 17.729 1.135 4.460 1.00 5.19 O ATOM 0 H GLU A 5 13.355 -1.585 5.165 1.00 2.62 H new ATOM 0 HA GLU A 5 14.534 0.984 5.948 1.00 2.68 H new ATOM 0 HB2 GLU A 5 14.041 -0.336 3.250 1.00 3.54 H new ATOM 0 HB3 GLU A 5 14.825 1.215 3.474 1.00 3.54 H new ATOM 0 HG2 GLU A 5 15.834 -1.450 4.529 1.00 4.10 H new ATOM 0 HG3 GLU A 5 16.454 -0.603 3.126 1.00 4.10 H new ATOM 62 N LEU A 6 11.543 0.837 5.644 1.00 1.67 N ATOM 63 CA LEU A 6 10.261 1.522 5.501 1.00 1.32 C ATOM 64 C LEU A 6 9.576 1.659 6.853 1.00 1.32 C ATOM 65 O LEU A 6 8.366 1.465 6.971 1.00 2.13 O ATOM 66 CB LEU A 6 9.351 0.755 4.547 1.00 1.13 C ATOM 67 CG LEU A 6 10.067 0.037 3.407 1.00 1.02 C ATOM 68 CD1 LEU A 6 10.478 -1.363 3.837 1.00 1.73 C ATOM 69 CD2 LEU A 6 9.185 -0.017 2.170 1.00 1.32 C ATOM 0 H LEU A 6 11.521 0.030 6.267 1.00 1.67 H new ATOM 0 HA LEU A 6 10.451 2.515 5.095 1.00 1.32 H new ATOM 0 HB2 LEU A 6 8.786 0.020 5.120 1.00 1.13 H new ATOM 0 HB3 LEU A 6 8.628 1.451 4.121 1.00 1.13 H new ATOM 0 HG LEU A 6 10.968 0.598 3.157 1.00 1.02 H new ATOM 0 HD11 LEU A 6 10.987 -1.862 3.013 1.00 1.73 H new ATOM 0 HD12 LEU A 6 11.150 -1.298 4.693 1.00 1.73 H new ATOM 0 HD13 LEU A 6 9.591 -1.933 4.114 1.00 1.73 H new ATOM 0 HD21 LEU A 6 9.714 -0.533 1.368 1.00 1.32 H new ATOM 0 HD22 LEU A 6 8.265 -0.554 2.402 1.00 1.32 H new ATOM 0 HD23 LEU A 6 8.943 0.997 1.851 1.00 1.32 H new ATOM 81 N GLU A 7 10.364 1.992 7.866 1.00 1.23 N ATOM 82 CA GLU A 7 9.853 2.156 9.223 1.00 1.34 C ATOM 83 C GLU A 7 9.357 0.822 9.765 1.00 1.46 C ATOM 84 O GLU A 7 9.715 -0.239 9.252 1.00 2.09 O ATOM 85 CB GLU A 7 8.712 3.174 9.244 1.00 1.49 C ATOM 86 CG GLU A 7 9.020 4.467 8.511 1.00 1.34 C ATOM 87 CD GLU A 7 9.966 5.367 9.280 1.00 1.95 C ATOM 88 OE1 GLU A 7 9.482 6.187 10.087 1.00 2.22 O ATOM 89 OE2 GLU A 7 11.192 5.253 9.074 1.00 2.64 O ATOM 0 H GLU A 7 11.367 2.155 7.774 1.00 1.23 H new ATOM 0 HA GLU A 7 10.665 2.519 9.853 1.00 1.34 H new ATOM 0 HB2 GLU A 7 7.826 2.720 8.800 1.00 1.49 H new ATOM 0 HB3 GLU A 7 8.466 3.406 10.280 1.00 1.49 H new ATOM 0 HG2 GLU A 7 9.457 4.234 7.540 1.00 1.34 H new ATOM 0 HG3 GLU A 7 8.090 5.003 8.322 1.00 1.34 H new ATOM 96 N GLY A 8 8.533 0.879 10.807 1.00 1.36 N ATOM 97 CA GLY A 8 7.996 -0.334 11.391 1.00 1.61 C ATOM 98 C GLY A 8 7.064 -1.060 10.440 1.00 1.17 C ATOM 99 O GLY A 8 6.880 -0.637 9.298 1.00 1.38 O ATOM 0 H GLY A 8 8.229 1.743 11.256 1.00 1.36 H new ATOM 0 HA2 GLY A 8 8.816 -0.996 11.670 1.00 1.61 H new ATOM 0 HA3 GLY A 8 7.459 -0.088 12.307 1.00 1.61 H new ATOM 103 N GLY A 9 6.476 -2.155 10.908 1.00 1.01 N ATOM 104 CA GLY A 9 5.566 -2.920 10.075 1.00 1.09 C ATOM 105 C GLY A 9 4.219 -2.242 9.906 1.00 1.08 C ATOM 106 O GLY A 9 3.489 -2.529 8.958 1.00 1.26 O ATOM 0 H GLY A 9 6.613 -2.527 11.848 1.00 1.01 H new ATOM 0 HA2 GLY A 9 6.018 -3.072 9.095 1.00 1.09 H new ATOM 0 HA3 GLY A 9 5.419 -3.907 10.515 1.00 1.09 H new ATOM 110 N LYS A 10 3.894 -1.336 10.825 1.00 1.12 N ATOM 111 CA LYS A 10 2.621 -0.621 10.784 1.00 1.33 C ATOM 112 C LYS A 10 2.563 0.381 9.623 1.00 1.14 C ATOM 113 O LYS A 10 1.640 0.325 8.817 1.00 1.22 O ATOM 114 CB LYS A 10 2.370 0.089 12.117 1.00 1.68 C ATOM 115 CG LYS A 10 2.050 -0.856 13.264 1.00 2.23 C ATOM 116 CD LYS A 10 0.684 -1.503 13.092 1.00 3.07 C ATOM 117 CE LYS A 10 0.361 -2.434 14.250 1.00 3.89 C ATOM 118 NZ LYS A 10 1.328 -3.562 14.347 1.00 4.57 N ATOM 0 H LYS A 10 4.495 -1.079 11.608 1.00 1.12 H new ATOM 0 HA LYS A 10 1.835 -1.357 10.617 1.00 1.33 H new ATOM 0 HB2 LYS A 10 3.251 0.676 12.377 1.00 1.68 H new ATOM 0 HB3 LYS A 10 1.544 0.790 11.995 1.00 1.68 H new ATOM 0 HG2 LYS A 10 2.815 -1.630 13.323 1.00 2.23 H new ATOM 0 HG3 LYS A 10 2.078 -0.308 14.206 1.00 2.23 H new ATOM 0 HD2 LYS A 10 -0.080 -0.729 13.021 1.00 3.07 H new ATOM 0 HD3 LYS A 10 0.660 -2.062 12.156 1.00 3.07 H new ATOM 0 HE2 LYS A 10 0.369 -1.869 15.182 1.00 3.89 H new ATOM 0 HE3 LYS A 10 -0.647 -2.830 14.126 1.00 3.89 H new ATOM 0 HZ1 LYS A 10 0.963 -4.276 15.009 1.00 4.57 H new ATOM 0 HZ2 LYS A 10 1.454 -3.993 13.409 1.00 4.57 H new ATOM 0 HZ3 LYS A 10 2.243 -3.206 14.691 1.00 4.57 H new ATOM 132 N PRO A 11 3.523 1.330 9.536 1.00 1.03 N ATOM 133 CA PRO A 11 3.559 2.325 8.456 1.00 1.05 C ATOM 134 C PRO A 11 3.280 1.741 7.068 1.00 0.77 C ATOM 135 O PRO A 11 2.597 2.362 6.257 1.00 0.72 O ATOM 136 CB PRO A 11 4.985 2.869 8.520 1.00 1.20 C ATOM 137 CG PRO A 11 5.409 2.693 9.940 1.00 1.49 C ATOM 138 CD PRO A 11 4.615 1.543 10.507 1.00 1.15 C ATOM 0 HA PRO A 11 2.782 3.076 8.594 1.00 1.05 H new ATOM 0 HB2 PRO A 11 5.644 2.326 7.842 1.00 1.20 H new ATOM 0 HB3 PRO A 11 5.020 3.918 8.226 1.00 1.20 H new ATOM 0 HG2 PRO A 11 6.478 2.488 9.999 1.00 1.49 H new ATOM 0 HG3 PRO A 11 5.227 3.604 10.511 1.00 1.49 H new ATOM 0 HD2 PRO A 11 5.231 0.650 10.613 1.00 1.15 H new ATOM 0 HD3 PRO A 11 4.225 1.780 11.497 1.00 1.15 H new ATOM 146 N LEU A 12 3.810 0.554 6.791 1.00 0.70 N ATOM 147 CA LEU A 12 3.611 -0.080 5.487 1.00 0.57 C ATOM 148 C LEU A 12 2.127 -0.270 5.179 1.00 0.48 C ATOM 149 O LEU A 12 1.744 -0.458 4.026 1.00 0.53 O ATOM 150 CB LEU A 12 4.331 -1.425 5.417 1.00 0.61 C ATOM 151 CG LEU A 12 4.432 -2.015 4.010 1.00 0.58 C ATOM 152 CD1 LEU A 12 5.680 -1.518 3.301 1.00 1.01 C ATOM 153 CD2 LEU A 12 4.411 -3.534 4.067 1.00 0.91 C ATOM 0 H LEU A 12 4.377 0.013 7.444 1.00 0.70 H new ATOM 0 HA LEU A 12 4.036 0.587 4.737 1.00 0.57 H new ATOM 0 HB2 LEU A 12 5.336 -1.307 5.821 1.00 0.61 H new ATOM 0 HB3 LEU A 12 3.811 -2.136 6.059 1.00 0.61 H new ATOM 0 HG LEU A 12 3.567 -1.681 3.437 1.00 0.58 H new ATOM 0 HD11 LEU A 12 5.728 -1.952 2.302 1.00 1.01 H new ATOM 0 HD12 LEU A 12 5.646 -0.431 3.223 1.00 1.01 H new ATOM 0 HD13 LEU A 12 6.563 -1.813 3.868 1.00 1.01 H new ATOM 0 HD21 LEU A 12 4.484 -3.937 3.057 1.00 0.91 H new ATOM 0 HD22 LEU A 12 5.254 -3.888 4.660 1.00 0.91 H new ATOM 0 HD23 LEU A 12 3.480 -3.868 4.525 1.00 0.91 H new ATOM 165 N SER A 13 1.295 -0.238 6.212 1.00 0.52 N ATOM 166 CA SER A 13 -0.144 -0.387 6.031 1.00 0.61 C ATOM 167 C SER A 13 -0.716 0.860 5.372 1.00 0.58 C ATOM 168 O SER A 13 -1.682 0.792 4.613 1.00 0.69 O ATOM 169 CB SER A 13 -0.832 -0.636 7.373 1.00 0.78 C ATOM 170 OG SER A 13 -2.236 -0.751 7.215 1.00 1.39 O ATOM 0 H SER A 13 1.590 -0.111 7.180 1.00 0.52 H new ATOM 0 HA SER A 13 -0.326 -1.247 5.386 1.00 0.61 H new ATOM 0 HB2 SER A 13 -0.438 -1.547 7.823 1.00 0.78 H new ATOM 0 HB3 SER A 13 -0.606 0.181 8.058 1.00 0.78 H new ATOM 0 HG SER A 13 -2.651 -0.911 8.088 1.00 1.39 H new ATOM 176 N GLY A 14 -0.105 2.002 5.676 1.00 0.56 N ATOM 177 CA GLY A 14 -0.544 3.259 5.102 1.00 0.59 C ATOM 178 C GLY A 14 0.114 3.528 3.763 1.00 0.55 C ATOM 179 O GLY A 14 0.154 4.667 3.298 1.00 0.58 O ATOM 0 H GLY A 14 0.689 2.077 6.312 1.00 0.56 H new ATOM 0 HA2 GLY A 14 -1.627 3.243 4.978 1.00 0.59 H new ATOM 0 HA3 GLY A 14 -0.314 4.073 5.790 1.00 0.59 H new ATOM 183 N LEU A 15 0.640 2.471 3.149 1.00 0.52 N ATOM 184 CA LEU A 15 1.300 2.579 1.853 1.00 0.52 C ATOM 185 C LEU A 15 0.289 2.910 0.769 1.00 0.46 C ATOM 186 O LEU A 15 0.378 3.952 0.123 1.00 0.47 O ATOM 187 CB LEU A 15 1.999 1.265 1.508 1.00 0.57 C ATOM 188 CG LEU A 15 3.422 1.391 0.963 1.00 0.69 C ATOM 189 CD1 LEU A 15 3.515 2.524 -0.045 1.00 0.97 C ATOM 190 CD2 LEU A 15 4.409 1.601 2.099 1.00 1.10 C ATOM 0 H LEU A 15 0.621 1.526 3.532 1.00 0.52 H new ATOM 0 HA LEU A 15 2.038 3.379 1.910 1.00 0.52 H new ATOM 0 HB2 LEU A 15 2.027 0.644 2.403 1.00 0.57 H new ATOM 0 HB3 LEU A 15 1.394 0.736 0.772 1.00 0.57 H new ATOM 0 HG LEU A 15 3.677 0.462 0.452 1.00 0.69 H new ATOM 0 HD11 LEU A 15 4.536 2.595 -0.419 1.00 0.97 H new ATOM 0 HD12 LEU A 15 2.837 2.329 -0.876 1.00 0.97 H new ATOM 0 HD13 LEU A 15 3.239 3.462 0.436 1.00 0.97 H new ATOM 0 HD21 LEU A 15 5.417 1.689 1.694 1.00 1.10 H new ATOM 0 HD22 LEU A 15 4.154 2.513 2.638 1.00 1.10 H new ATOM 0 HD23 LEU A 15 4.365 0.752 2.781 1.00 1.10 H new ATOM 202 N LEU A 16 -0.670 2.008 0.571 1.00 0.45 N ATOM 203 CA LEU A 16 -1.710 2.205 -0.431 1.00 0.42 C ATOM 204 C LEU A 16 -2.403 3.542 -0.190 1.00 0.40 C ATOM 205 O LEU A 16 -3.037 4.104 -1.083 1.00 0.41 O ATOM 206 CB LEU A 16 -2.731 1.053 -0.401 1.00 0.47 C ATOM 207 CG LEU A 16 -2.150 -0.362 -0.230 1.00 0.53 C ATOM 208 CD1 LEU A 16 -0.820 -0.510 -0.960 1.00 0.86 C ATOM 209 CD2 LEU A 16 -1.998 -0.710 1.246 1.00 0.92 C ATOM 0 H LEU A 16 -0.747 1.134 1.092 1.00 0.45 H new ATOM 0 HA LEU A 16 -1.249 2.213 -1.419 1.00 0.42 H new ATOM 0 HB2 LEU A 16 -3.432 1.237 0.413 1.00 0.47 H new ATOM 0 HB3 LEU A 16 -3.305 1.079 -1.327 1.00 0.47 H new ATOM 0 HG LEU A 16 -2.853 -1.064 -0.678 1.00 0.53 H new ATOM 0 HD11 LEU A 16 -0.438 -1.521 -0.818 1.00 0.86 H new ATOM 0 HD12 LEU A 16 -0.966 -0.323 -2.024 1.00 0.86 H new ATOM 0 HD13 LEU A 16 -0.104 0.208 -0.560 1.00 0.86 H new ATOM 0 HD21 LEU A 16 -1.586 -1.714 1.342 1.00 0.92 H new ATOM 0 HD22 LEU A 16 -1.326 0.005 1.721 1.00 0.92 H new ATOM 0 HD23 LEU A 16 -2.973 -0.670 1.732 1.00 0.92 H new ATOM 221 N ASN A 17 -2.268 4.039 1.038 1.00 0.40 N ATOM 222 CA ASN A 17 -2.844 5.318 1.429 1.00 0.42 C ATOM 223 C ASN A 17 -1.970 6.462 0.919 1.00 0.38 C ATOM 224 O ASN A 17 -2.464 7.426 0.335 1.00 0.42 O ATOM 225 CB ASN A 17 -2.967 5.385 2.952 1.00 0.47 C ATOM 226 CG ASN A 17 -3.296 6.778 3.455 1.00 1.38 C ATOM 227 OD1 ASN A 17 -2.867 7.175 4.538 1.00 1.93 O ATOM 228 ND2 ASN A 17 -4.068 7.526 2.673 1.00 2.33 N ATOM 0 H ASN A 17 -1.758 3.567 1.785 1.00 0.40 H new ATOM 0 HA ASN A 17 -3.837 5.414 0.989 1.00 0.42 H new ATOM 0 HB2 ASN A 17 -3.742 4.693 3.280 1.00 0.47 H new ATOM 0 HB3 ASN A 17 -2.032 5.053 3.402 1.00 0.47 H new ATOM 0 HD21 ASN A 17 -4.327 8.469 2.963 1.00 2.33 H new ATOM 0 HD22 ASN A 17 -4.402 7.157 1.783 1.00 2.33 H new ATOM 235 N ALA A 18 -0.666 6.340 1.151 1.00 0.37 N ATOM 236 CA ALA A 18 0.300 7.339 0.709 1.00 0.37 C ATOM 237 C ALA A 18 0.331 7.404 -0.817 1.00 0.38 C ATOM 238 O ALA A 18 0.539 8.463 -1.407 1.00 0.44 O ATOM 239 CB ALA A 18 1.679 6.992 1.248 1.00 0.42 C ATOM 0 H ALA A 18 -0.252 5.551 1.647 1.00 0.37 H new ATOM 0 HA ALA A 18 0.003 8.315 1.092 1.00 0.37 H new ATOM 0 HB1 ALA A 18 2.398 7.740 0.916 1.00 0.42 H new ATOM 0 HB2 ALA A 18 1.650 6.975 2.337 1.00 0.42 H new ATOM 0 HB3 ALA A 18 1.978 6.012 0.878 1.00 0.42 H new ATOM 245 N LEU A 19 0.100 6.255 -1.443 1.00 0.42 N ATOM 246 CA LEU A 19 0.111 6.137 -2.898 1.00 0.48 C ATOM 247 C LEU A 19 -1.187 6.655 -3.516 1.00 0.52 C ATOM 248 O LEU A 19 -1.432 6.461 -4.707 1.00 0.69 O ATOM 249 CB LEU A 19 0.317 4.676 -3.297 1.00 0.51 C ATOM 250 CG LEU A 19 1.572 4.017 -2.725 1.00 0.61 C ATOM 251 CD1 LEU A 19 1.408 2.505 -2.693 1.00 0.77 C ATOM 252 CD2 LEU A 19 2.794 4.402 -3.543 1.00 0.94 C ATOM 0 H LEU A 19 -0.100 5.380 -0.958 1.00 0.42 H new ATOM 0 HA LEU A 19 0.932 6.747 -3.275 1.00 0.48 H new ATOM 0 HB2 LEU A 19 -0.553 4.102 -2.978 1.00 0.51 H new ATOM 0 HB3 LEU A 19 0.357 4.615 -4.385 1.00 0.51 H new ATOM 0 HG LEU A 19 1.715 4.372 -1.704 1.00 0.61 H new ATOM 0 HD11 LEU A 19 2.310 2.050 -2.283 1.00 0.77 H new ATOM 0 HD12 LEU A 19 0.554 2.245 -2.068 1.00 0.77 H new ATOM 0 HD13 LEU A 19 1.243 2.135 -3.705 1.00 0.77 H new ATOM 0 HD21 LEU A 19 3.679 3.924 -3.122 1.00 0.94 H new ATOM 0 HD22 LEU A 19 2.660 4.074 -4.574 1.00 0.94 H new ATOM 0 HD23 LEU A 19 2.921 5.484 -3.520 1.00 0.94 H new ATOM 264 N ALA A 20 -2.012 7.316 -2.710 1.00 0.54 N ATOM 265 CA ALA A 20 -3.287 7.848 -3.189 1.00 0.64 C ATOM 266 C ALA A 20 -3.095 9.036 -4.132 1.00 0.78 C ATOM 267 O ALA A 20 -4.024 9.815 -4.346 1.00 1.59 O ATOM 268 CB ALA A 20 -4.166 8.248 -2.014 1.00 0.76 C ATOM 0 H ALA A 20 -1.823 7.497 -1.724 1.00 0.54 H new ATOM 0 HA ALA A 20 -3.778 7.056 -3.755 1.00 0.64 H new ATOM 0 HB1 ALA A 20 -5.112 8.642 -2.385 1.00 0.76 H new ATOM 0 HB2 ALA A 20 -4.357 7.376 -1.389 1.00 0.76 H new ATOM 0 HB3 ALA A 20 -3.660 9.013 -1.425 1.00 0.76 H new ATOM 274 N GLN A 21 -1.893 9.167 -4.694 1.00 0.71 N ATOM 275 CA GLN A 21 -1.586 10.257 -5.618 1.00 0.81 C ATOM 276 C GLN A 21 -2.683 10.409 -6.669 1.00 1.05 C ATOM 277 O GLN A 21 -2.719 9.667 -7.651 1.00 1.54 O ATOM 278 CB GLN A 21 -0.245 10.002 -6.306 1.00 1.12 C ATOM 279 CG GLN A 21 0.941 10.025 -5.356 1.00 1.08 C ATOM 280 CD GLN A 21 2.255 9.756 -6.062 1.00 1.24 C ATOM 281 OE1 GLN A 21 2.411 10.053 -7.246 1.00 1.87 O ATOM 282 NE2 GLN A 21 3.212 9.197 -5.333 1.00 1.21 N ATOM 0 H GLN A 21 -1.115 8.530 -4.524 1.00 0.71 H new ATOM 0 HA GLN A 21 -1.528 11.181 -5.043 1.00 0.81 H new ATOM 0 HB2 GLN A 21 -0.281 9.034 -6.805 1.00 1.12 H new ATOM 0 HB3 GLN A 21 -0.094 10.755 -7.080 1.00 1.12 H new ATOM 0 HG2 GLN A 21 0.989 10.996 -4.863 1.00 1.08 H new ATOM 0 HG3 GLN A 21 0.792 9.279 -4.576 1.00 1.08 H new ATOM 0 HE21 GLN A 21 3.039 8.967 -4.354 1.00 1.21 H new ATOM 0 HE22 GLN A 21 4.121 8.997 -5.751 1.00 1.21 H new ATOM 291 N ASP A 22 -3.572 11.378 -6.455 1.00 1.63 N ATOM 292 CA ASP A 22 -4.676 11.627 -7.378 1.00 2.08 C ATOM 293 C ASP A 22 -5.426 10.334 -7.693 1.00 1.93 C ATOM 294 O ASP A 22 -5.202 9.712 -8.731 1.00 2.22 O ATOM 295 CB ASP A 22 -4.160 12.265 -8.671 1.00 2.77 C ATOM 296 CG ASP A 22 -3.598 13.655 -8.446 1.00 3.37 C ATOM 297 OD1 ASP A 22 -2.436 13.762 -8.002 1.00 3.59 O ATOM 298 OD2 ASP A 22 -4.323 14.638 -8.710 1.00 4.03 O ATOM 0 H ASP A 22 -3.548 12.003 -5.650 1.00 1.63 H new ATOM 0 HA ASP A 22 -5.368 12.318 -6.897 1.00 2.08 H new ATOM 0 HB2 ASP A 22 -3.387 11.629 -9.103 1.00 2.77 H new ATOM 0 HB3 ASP A 22 -4.972 12.317 -9.396 1.00 2.77 H new ATOM 303 N THR A 23 -6.311 9.932 -6.783 1.00 1.87 N ATOM 304 CA THR A 23 -7.090 8.710 -6.960 1.00 2.12 C ATOM 305 C THR A 23 -8.318 8.953 -7.830 1.00 2.28 C ATOM 306 O THR A 23 -8.742 8.073 -8.580 1.00 2.68 O ATOM 307 CB THR A 23 -7.538 8.121 -5.610 1.00 2.43 C ATOM 308 OG1 THR A 23 -8.362 6.970 -5.825 1.00 3.06 O ATOM 309 CG2 THR A 23 -8.304 9.151 -4.798 1.00 2.29 C ATOM 0 H THR A 23 -6.506 10.434 -5.917 1.00 1.87 H new ATOM 0 HA THR A 23 -6.435 7.995 -7.458 1.00 2.12 H new ATOM 0 HB THR A 23 -6.647 7.831 -5.054 1.00 2.43 H new ATOM 0 HG1 THR A 23 -8.641 6.601 -4.961 1.00 3.06 H new ATOM 0 HG21 THR A 23 -8.610 8.712 -3.849 1.00 2.29 H new ATOM 0 HG22 THR A 23 -7.665 10.014 -4.609 1.00 2.29 H new ATOM 0 HG23 THR A 23 -9.187 9.468 -5.353 1.00 2.29 H new ATOM 317 N PHE A 24 -8.887 10.150 -7.725 1.00 2.25 N ATOM 318 CA PHE A 24 -10.069 10.505 -8.505 1.00 2.54 C ATOM 319 C PHE A 24 -10.271 12.017 -8.526 1.00 2.79 C ATOM 320 O PHE A 24 -10.232 12.670 -7.483 1.00 3.49 O ATOM 321 CB PHE A 24 -11.309 9.816 -7.930 1.00 2.58 C ATOM 322 CG PHE A 24 -12.533 9.965 -8.787 1.00 2.99 C ATOM 323 CD1 PHE A 24 -12.701 9.187 -9.922 1.00 3.42 C ATOM 324 CD2 PHE A 24 -13.517 10.884 -8.457 1.00 3.46 C ATOM 325 CE1 PHE A 24 -13.827 9.324 -10.712 1.00 4.26 C ATOM 326 CE2 PHE A 24 -14.644 11.025 -9.244 1.00 4.14 C ATOM 327 CZ PHE A 24 -14.797 10.236 -10.378 1.00 4.53 C ATOM 0 H PHE A 24 -8.550 10.890 -7.109 1.00 2.25 H new ATOM 0 HA PHE A 24 -9.917 10.165 -9.529 1.00 2.54 H new ATOM 0 HB2 PHE A 24 -11.096 8.755 -7.797 1.00 2.58 H new ATOM 0 HB3 PHE A 24 -11.516 10.226 -6.941 1.00 2.58 H new ATOM 0 HD1 PHE A 24 -11.944 8.466 -10.192 1.00 3.42 H new ATOM 0 HD2 PHE A 24 -13.401 11.497 -7.575 1.00 3.46 H new ATOM 0 HE1 PHE A 24 -13.944 8.712 -11.594 1.00 4.26 H new ATOM 0 HE2 PHE A 24 -15.403 11.746 -8.979 1.00 4.14 H new ATOM 0 HZ PHE A 24 -15.677 10.340 -10.995 1.00 4.53 H new ATOM 337 N HIS A 25 -10.487 12.563 -9.721 1.00 2.92 N ATOM 338 CA HIS A 25 -10.698 13.999 -9.893 1.00 3.82 C ATOM 339 C HIS A 25 -9.476 14.792 -9.431 1.00 4.29 C ATOM 340 O HIS A 25 -8.611 15.138 -10.236 1.00 5.21 O ATOM 341 CB HIS A 25 -11.945 14.456 -9.126 1.00 4.09 C ATOM 342 CG HIS A 25 -12.244 15.916 -9.276 1.00 4.34 C ATOM 343 ND1 HIS A 25 -11.829 16.866 -8.369 1.00 4.48 N ATOM 344 CD2 HIS A 25 -12.930 16.587 -10.233 1.00 4.95 C ATOM 345 CE1 HIS A 25 -12.246 18.058 -8.759 1.00 5.04 C ATOM 346 NE2 HIS A 25 -12.916 17.915 -9.887 1.00 5.34 N ATOM 0 H HIS A 25 -10.521 12.029 -10.589 1.00 2.92 H new ATOM 0 HA HIS A 25 -10.849 14.190 -10.955 1.00 3.82 H new ATOM 0 HB2 HIS A 25 -12.804 13.881 -9.472 1.00 4.09 H new ATOM 0 HB3 HIS A 25 -11.814 14.228 -8.068 1.00 4.09 H new ATOM 0 HD2 HIS A 25 -13.400 16.157 -11.105 1.00 4.95 H new ATOM 0 HE1 HIS A 25 -12.069 18.990 -8.243 1.00 5.04 H new ATOM 0 HE2 HIS A 25 -13.353 18.670 -10.416 1.00 5.34 H new ATOM 355 N GLY A 26 -9.413 15.073 -8.132 1.00 3.87 N ATOM 356 CA GLY A 26 -8.295 15.819 -7.586 1.00 4.35 C ATOM 357 C GLY A 26 -7.736 15.180 -6.330 1.00 3.82 C ATOM 358 O GLY A 26 -8.244 14.158 -5.869 1.00 3.81 O ATOM 0 H GLY A 26 -10.118 14.797 -7.448 1.00 3.87 H new ATOM 0 HA2 GLY A 26 -7.507 15.890 -8.336 1.00 4.35 H new ATOM 0 HA3 GLY A 26 -8.615 16.837 -7.362 1.00 4.35 H new ATOM 362 N TYR A 27 -6.692 15.784 -5.775 1.00 3.61 N ATOM 363 CA TYR A 27 -6.067 15.264 -4.565 1.00 3.21 C ATOM 364 C TYR A 27 -6.660 15.923 -3.318 1.00 2.51 C ATOM 365 O TYR A 27 -6.626 17.146 -3.181 1.00 2.56 O ATOM 366 CB TYR A 27 -4.550 15.483 -4.610 1.00 3.64 C ATOM 367 CG TYR A 27 -4.138 16.919 -4.859 1.00 4.16 C ATOM 368 CD1 TYR A 27 -4.103 17.439 -6.147 1.00 4.99 C ATOM 369 CD2 TYR A 27 -3.785 17.754 -3.805 1.00 4.26 C ATOM 370 CE1 TYR A 27 -3.726 18.749 -6.378 1.00 5.76 C ATOM 371 CE2 TYR A 27 -3.408 19.065 -4.029 1.00 5.19 C ATOM 372 CZ TYR A 27 -3.384 19.558 -5.315 1.00 5.88 C ATOM 373 OH TYR A 27 -3.004 20.861 -5.541 1.00 6.91 O ATOM 0 H TYR A 27 -6.261 16.632 -6.143 1.00 3.61 H new ATOM 0 HA TYR A 27 -6.266 14.194 -4.514 1.00 3.21 H new ATOM 0 HB2 TYR A 27 -4.118 15.151 -3.666 1.00 3.64 H new ATOM 0 HB3 TYR A 27 -4.126 14.854 -5.393 1.00 3.64 H new ATOM 0 HD1 TYR A 27 -4.375 16.810 -6.981 1.00 4.99 H new ATOM 0 HD2 TYR A 27 -3.806 17.372 -2.795 1.00 4.26 H new ATOM 0 HE1 TYR A 27 -3.700 19.137 -7.386 1.00 5.76 H new ATOM 0 HE2 TYR A 27 -3.134 19.700 -3.199 1.00 5.19 H new ATOM 0 HH TYR A 27 -2.797 21.294 -4.687 1.00 6.91 H new ATOM 383 N PRO A 28 -7.229 15.124 -2.391 1.00 2.25 N ATOM 384 CA PRO A 28 -7.821 15.649 -1.160 1.00 2.05 C ATOM 385 C PRO A 28 -6.766 15.951 -0.101 1.00 1.79 C ATOM 386 O PRO A 28 -7.091 16.276 1.041 1.00 2.41 O ATOM 387 CB PRO A 28 -8.729 14.511 -0.707 1.00 2.45 C ATOM 388 CG PRO A 28 -8.040 13.278 -1.182 1.00 2.79 C ATOM 389 CD PRO A 28 -7.349 13.652 -2.470 1.00 2.71 C ATOM 0 HA PRO A 28 -8.342 16.593 -1.316 1.00 2.05 H new ATOM 0 HB2 PRO A 28 -8.851 14.506 0.376 1.00 2.45 H new ATOM 0 HB3 PRO A 28 -9.726 14.601 -1.139 1.00 2.45 H new ATOM 0 HG2 PRO A 28 -7.321 12.925 -0.443 1.00 2.79 H new ATOM 0 HG3 PRO A 28 -8.754 12.471 -1.344 1.00 2.79 H new ATOM 0 HD2 PRO A 28 -6.373 13.175 -2.553 1.00 2.71 H new ATOM 0 HD3 PRO A 28 -7.930 13.344 -3.340 1.00 2.71 H new ATOM 397 N GLY A 29 -5.500 15.838 -0.492 1.00 1.45 N ATOM 398 CA GLY A 29 -4.408 16.096 0.429 1.00 1.37 C ATOM 399 C GLY A 29 -3.292 15.078 0.299 1.00 1.15 C ATOM 400 O GLY A 29 -2.783 14.575 1.300 1.00 1.42 O ATOM 0 H GLY A 29 -5.211 15.572 -1.433 1.00 1.45 H new ATOM 0 HA2 GLY A 29 -4.009 17.094 0.246 1.00 1.37 H new ATOM 0 HA3 GLY A 29 -4.788 16.087 1.451 1.00 1.37 H new ATOM 404 N ILE A 30 -2.913 14.776 -0.940 1.00 1.02 N ATOM 405 CA ILE A 30 -1.856 13.809 -1.203 1.00 0.84 C ATOM 406 C ILE A 30 -0.932 14.298 -2.318 1.00 0.87 C ATOM 407 O ILE A 30 -1.355 15.049 -3.198 1.00 1.18 O ATOM 408 CB ILE A 30 -2.444 12.436 -1.589 1.00 0.87 C ATOM 409 CG1 ILE A 30 -1.355 11.358 -1.586 1.00 0.77 C ATOM 410 CG2 ILE A 30 -3.121 12.512 -2.949 1.00 1.08 C ATOM 411 CD1 ILE A 30 -0.830 11.030 -0.202 1.00 0.75 C ATOM 0 H ILE A 30 -3.324 15.189 -1.777 1.00 1.02 H new ATOM 0 HA ILE A 30 -1.279 13.701 -0.285 1.00 0.84 H new ATOM 0 HB ILE A 30 -3.193 12.162 -0.846 1.00 0.87 H new ATOM 0 HG12 ILE A 30 -1.753 10.450 -2.039 1.00 0.77 H new ATOM 0 HG13 ILE A 30 -0.526 11.689 -2.211 1.00 0.77 H new ATOM 0 HG21 ILE A 30 -3.531 11.535 -3.207 1.00 1.08 H new ATOM 0 HG22 ILE A 30 -3.927 13.245 -2.914 1.00 1.08 H new ATOM 0 HG23 ILE A 30 -2.392 12.810 -3.702 1.00 1.08 H new ATOM 0 HD11 ILE A 30 -0.063 10.260 -0.277 1.00 0.75 H new ATOM 0 HD12 ILE A 30 -0.402 11.926 0.247 1.00 0.75 H new ATOM 0 HD13 ILE A 30 -1.648 10.668 0.421 1.00 0.75 H new ATOM 423 N THR A 31 0.328 13.872 -2.277 1.00 0.88 N ATOM 424 CA THR A 31 1.302 14.272 -3.287 1.00 0.97 C ATOM 425 C THR A 31 2.396 13.219 -3.427 1.00 0.86 C ATOM 426 O THR A 31 2.634 12.435 -2.509 1.00 0.78 O ATOM 427 CB THR A 31 1.941 15.635 -2.948 1.00 1.07 C ATOM 428 OG1 THR A 31 0.923 16.574 -2.583 1.00 1.72 O ATOM 429 CG2 THR A 31 2.728 16.180 -4.130 1.00 1.06 C ATOM 0 H THR A 31 0.697 13.251 -1.557 1.00 0.88 H new ATOM 0 HA THR A 31 0.767 14.366 -4.232 1.00 0.97 H new ATOM 0 HB THR A 31 2.625 15.488 -2.112 1.00 1.07 H new ATOM 0 HG1 THR A 31 1.336 17.436 -2.368 1.00 1.72 H new ATOM 0 HG21 THR A 31 3.167 17.141 -3.863 1.00 1.06 H new ATOM 0 HG22 THR A 31 3.521 15.480 -4.393 1.00 1.06 H new ATOM 0 HG23 THR A 31 2.061 16.310 -4.982 1.00 1.06 H new ATOM 437 N GLU A 32 3.057 13.201 -4.580 1.00 0.93 N ATOM 438 CA GLU A 32 4.114 12.231 -4.838 1.00 0.95 C ATOM 439 C GLU A 32 5.256 12.367 -3.836 1.00 0.84 C ATOM 440 O GLU A 32 5.714 11.376 -3.274 1.00 0.91 O ATOM 441 CB GLU A 32 4.644 12.384 -6.266 1.00 1.15 C ATOM 442 CG GLU A 32 5.728 11.380 -6.623 1.00 1.47 C ATOM 443 CD GLU A 32 6.208 11.524 -8.054 1.00 1.59 C ATOM 444 OE1 GLU A 32 7.154 12.305 -8.286 1.00 1.98 O ATOM 445 OE2 GLU A 32 5.639 10.856 -8.941 1.00 1.56 O ATOM 0 H GLU A 32 2.879 13.847 -5.349 1.00 0.93 H new ATOM 0 HA GLU A 32 3.684 11.236 -4.723 1.00 0.95 H new ATOM 0 HB2 GLU A 32 3.815 12.276 -6.966 1.00 1.15 H new ATOM 0 HB3 GLU A 32 5.038 13.392 -6.392 1.00 1.15 H new ATOM 0 HG2 GLU A 32 6.573 11.507 -5.946 1.00 1.47 H new ATOM 0 HG3 GLU A 32 5.347 10.370 -6.471 1.00 1.47 H new ATOM 452 N GLU A 33 5.719 13.591 -3.621 1.00 0.80 N ATOM 453 CA GLU A 33 6.802 13.831 -2.676 1.00 0.79 C ATOM 454 C GLU A 33 6.273 13.784 -1.250 1.00 0.64 C ATOM 455 O GLU A 33 7.039 13.792 -0.286 1.00 0.70 O ATOM 456 CB GLU A 33 7.467 15.183 -2.957 1.00 0.97 C ATOM 457 CG GLU A 33 6.515 16.370 -2.892 1.00 1.63 C ATOM 458 CD GLU A 33 6.185 16.785 -1.470 1.00 2.05 C ATOM 459 OE1 GLU A 33 7.034 17.439 -0.830 1.00 2.36 O ATOM 460 OE2 GLU A 33 5.077 16.455 -0.998 1.00 2.64 O ATOM 0 H GLU A 33 5.365 14.428 -4.084 1.00 0.80 H new ATOM 0 HA GLU A 33 7.551 13.048 -2.796 1.00 0.79 H new ATOM 0 HB2 GLU A 33 8.272 15.336 -2.238 1.00 0.97 H new ATOM 0 HB3 GLU A 33 7.925 15.152 -3.946 1.00 0.97 H new ATOM 0 HG2 GLU A 33 6.959 17.215 -3.418 1.00 1.63 H new ATOM 0 HG3 GLU A 33 5.592 16.118 -3.415 1.00 1.63 H new ATOM 467 N LEU A 34 4.951 13.736 -1.132 1.00 0.54 N ATOM 468 CA LEU A 34 4.290 13.700 0.165 1.00 0.49 C ATOM 469 C LEU A 34 4.183 12.284 0.723 1.00 0.43 C ATOM 470 O LEU A 34 4.353 12.075 1.924 1.00 0.46 O ATOM 471 CB LEU A 34 2.899 14.309 0.051 1.00 0.57 C ATOM 472 CG LEU A 34 2.124 14.403 1.361 1.00 0.91 C ATOM 473 CD1 LEU A 34 2.671 15.524 2.231 1.00 1.75 C ATOM 474 CD2 LEU A 34 0.652 14.609 1.073 1.00 1.48 C ATOM 0 H LEU A 34 4.312 13.721 -1.927 1.00 0.54 H new ATOM 0 HA LEU A 34 4.901 14.280 0.857 1.00 0.49 H new ATOM 0 HB2 LEU A 34 2.991 15.310 -0.371 1.00 0.57 H new ATOM 0 HB3 LEU A 34 2.317 13.717 -0.656 1.00 0.57 H new ATOM 0 HG LEU A 34 2.244 13.469 1.910 1.00 0.91 H new ATOM 0 HD11 LEU A 34 2.104 15.573 3.160 1.00 1.75 H new ATOM 0 HD12 LEU A 34 3.720 15.331 2.456 1.00 1.75 H new ATOM 0 HD13 LEU A 34 2.582 16.472 1.701 1.00 1.75 H new ATOM 0 HD21 LEU A 34 0.103 14.675 2.012 1.00 1.48 H new ATOM 0 HD22 LEU A 34 0.517 15.531 0.508 1.00 1.48 H new ATOM 0 HD23 LEU A 34 0.274 13.769 0.491 1.00 1.48 H new ATOM 486 N LEU A 35 3.901 11.309 -0.145 1.00 0.45 N ATOM 487 CA LEU A 35 3.750 9.926 0.304 1.00 0.49 C ATOM 488 C LEU A 35 4.957 9.453 1.101 1.00 0.43 C ATOM 489 O LEU A 35 4.879 8.477 1.848 1.00 0.50 O ATOM 490 CB LEU A 35 3.449 8.977 -0.862 1.00 0.63 C ATOM 491 CG LEU A 35 4.436 8.910 -2.040 1.00 0.64 C ATOM 492 CD1 LEU A 35 5.893 8.943 -1.604 1.00 0.89 C ATOM 493 CD2 LEU A 35 4.165 7.638 -2.808 1.00 1.08 C ATOM 0 H LEU A 35 3.775 11.449 -1.147 1.00 0.45 H new ATOM 0 HA LEU A 35 2.889 9.906 0.973 1.00 0.49 H new ATOM 0 HB2 LEU A 35 3.356 7.971 -0.453 1.00 0.63 H new ATOM 0 HB3 LEU A 35 2.473 9.249 -1.265 1.00 0.63 H new ATOM 0 HG LEU A 35 4.280 9.794 -2.659 1.00 0.64 H new ATOM 0 HD11 LEU A 35 6.537 8.893 -2.482 1.00 0.89 H new ATOM 0 HD12 LEU A 35 6.090 9.868 -1.062 1.00 0.89 H new ATOM 0 HD13 LEU A 35 6.098 8.092 -0.955 1.00 0.89 H new ATOM 0 HD21 LEU A 35 4.854 7.568 -3.650 1.00 1.08 H new ATOM 0 HD22 LEU A 35 4.306 6.779 -2.151 1.00 1.08 H new ATOM 0 HD23 LEU A 35 3.140 7.648 -3.178 1.00 1.08 H new ATOM 505 N ARG A 36 6.070 10.152 0.935 1.00 0.38 N ATOM 506 CA ARG A 36 7.296 9.818 1.635 1.00 0.38 C ATOM 507 C ARG A 36 7.268 10.400 3.039 1.00 0.34 C ATOM 508 O ARG A 36 7.500 9.702 4.023 1.00 0.37 O ATOM 509 CB ARG A 36 8.495 10.360 0.862 1.00 0.46 C ATOM 510 CG ARG A 36 9.792 10.326 1.652 1.00 1.18 C ATOM 511 CD ARG A 36 10.919 10.997 0.888 1.00 1.73 C ATOM 512 NE ARG A 36 12.044 11.341 1.754 1.00 2.64 N ATOM 513 CZ ARG A 36 12.873 12.354 1.518 1.00 3.41 C ATOM 514 NH1 ARG A 36 12.701 13.124 0.452 1.00 3.46 N ATOM 515 NH2 ARG A 36 13.876 12.601 2.351 1.00 4.28 N ATOM 0 H ARG A 36 6.147 10.959 0.316 1.00 0.38 H new ATOM 0 HA ARG A 36 7.383 8.734 1.708 1.00 0.38 H new ATOM 0 HB2 ARG A 36 8.620 9.779 -0.052 1.00 0.46 H new ATOM 0 HB3 ARG A 36 8.289 11.387 0.561 1.00 0.46 H new ATOM 0 HG2 ARG A 36 9.650 10.826 2.610 1.00 1.18 H new ATOM 0 HG3 ARG A 36 10.061 9.292 1.869 1.00 1.18 H new ATOM 0 HD2 ARG A 36 11.263 10.334 0.094 1.00 1.73 H new ATOM 0 HD3 ARG A 36 10.543 11.900 0.408 1.00 1.73 H new ATOM 0 HE ARG A 36 12.203 10.773 2.586 1.00 2.64 H new ATOM 0 HH11 ARG A 36 11.931 12.940 -0.191 1.00 3.46 H new ATOM 0 HH12 ARG A 36 13.339 13.900 0.275 1.00 3.46 H new ATOM 0 HH21 ARG A 36 14.012 12.014 3.174 1.00 4.28 H new ATOM 0 HH22 ARG A 36 14.511 13.378 2.169 1.00 4.28 H new ATOM 529 N SER A 37 6.972 11.689 3.116 1.00 0.36 N ATOM 530 CA SER A 37 6.908 12.383 4.391 1.00 0.40 C ATOM 531 C SER A 37 5.755 11.860 5.246 1.00 0.40 C ATOM 532 O SER A 37 5.752 12.032 6.466 1.00 0.46 O ATOM 533 CB SER A 37 6.750 13.888 4.168 1.00 0.47 C ATOM 534 OG SER A 37 7.841 14.413 3.431 1.00 1.33 O ATOM 0 H SER A 37 6.772 12.276 2.306 1.00 0.36 H new ATOM 0 HA SER A 37 7.841 12.195 4.922 1.00 0.40 H new ATOM 0 HB2 SER A 37 5.820 14.084 3.635 1.00 0.47 H new ATOM 0 HB3 SER A 37 6.679 14.396 5.130 1.00 0.47 H new ATOM 0 HG SER A 37 7.715 15.376 3.301 1.00 1.33 H new ATOM 540 N GLN A 38 4.778 11.220 4.603 1.00 0.36 N ATOM 541 CA GLN A 38 3.613 10.696 5.307 1.00 0.39 C ATOM 542 C GLN A 38 3.949 9.485 6.177 1.00 0.43 C ATOM 543 O GLN A 38 3.416 9.349 7.278 1.00 0.67 O ATOM 544 CB GLN A 38 2.516 10.324 4.309 1.00 0.42 C ATOM 545 CG GLN A 38 1.766 11.522 3.751 1.00 0.74 C ATOM 546 CD GLN A 38 1.046 12.313 4.827 1.00 1.11 C ATOM 547 OE1 GLN A 38 -0.114 12.043 5.140 1.00 1.74 O ATOM 548 NE2 GLN A 38 1.734 13.294 5.400 1.00 1.84 N ATOM 0 H GLN A 38 4.772 11.053 3.597 1.00 0.36 H new ATOM 0 HA GLN A 38 3.261 11.487 5.969 1.00 0.39 H new ATOM 0 HB2 GLN A 38 2.961 9.769 3.484 1.00 0.42 H new ATOM 0 HB3 GLN A 38 1.805 9.656 4.796 1.00 0.42 H new ATOM 0 HG2 GLN A 38 2.467 12.176 3.233 1.00 0.74 H new ATOM 0 HG3 GLN A 38 1.042 11.180 3.011 1.00 0.74 H new ATOM 0 HE21 GLN A 38 2.693 13.482 5.109 1.00 1.84 H new ATOM 0 HE22 GLN A 38 1.303 13.859 6.132 1.00 1.84 H new ATOM 557 N LEU A 39 4.828 8.605 5.696 1.00 0.41 N ATOM 558 CA LEU A 39 5.171 7.409 6.464 1.00 0.53 C ATOM 559 C LEU A 39 6.657 7.056 6.392 1.00 0.51 C ATOM 560 O LEU A 39 7.287 6.825 7.424 1.00 0.61 O ATOM 561 CB LEU A 39 4.331 6.226 5.986 1.00 0.69 C ATOM 562 CG LEU A 39 2.820 6.416 6.122 1.00 0.78 C ATOM 563 CD1 LEU A 39 2.188 6.703 4.766 1.00 1.09 C ATOM 564 CD2 LEU A 39 2.190 5.191 6.764 1.00 1.07 C ATOM 0 H LEU A 39 5.306 8.694 4.799 1.00 0.41 H new ATOM 0 HA LEU A 39 4.950 7.630 7.508 1.00 0.53 H new ATOM 0 HB2 LEU A 39 4.566 6.031 4.940 1.00 0.69 H new ATOM 0 HB3 LEU A 39 4.624 5.340 6.549 1.00 0.69 H new ATOM 0 HG LEU A 39 2.636 7.275 6.767 1.00 0.78 H new ATOM 0 HD11 LEU A 39 1.113 6.835 4.886 1.00 1.09 H new ATOM 0 HD12 LEU A 39 2.620 7.612 4.348 1.00 1.09 H new ATOM 0 HD13 LEU A 39 2.378 5.868 4.092 1.00 1.09 H new ATOM 0 HD21 LEU A 39 1.114 5.340 6.855 1.00 1.07 H new ATOM 0 HD22 LEU A 39 2.384 4.315 6.145 1.00 1.07 H new ATOM 0 HD23 LEU A 39 2.620 5.038 7.754 1.00 1.07 H new ATOM 576 N TYR A 40 7.213 6.992 5.183 1.00 0.46 N ATOM 577 CA TYR A 40 8.626 6.647 5.014 1.00 0.48 C ATOM 578 C TYR A 40 9.459 7.856 4.590 1.00 0.42 C ATOM 579 O TYR A 40 9.803 7.990 3.419 1.00 0.46 O ATOM 580 CB TYR A 40 8.791 5.524 3.982 1.00 0.58 C ATOM 581 CG TYR A 40 7.744 5.535 2.890 1.00 0.63 C ATOM 582 CD1 TYR A 40 7.928 6.297 1.746 1.00 0.89 C ATOM 583 CD2 TYR A 40 6.569 4.792 3.004 1.00 0.99 C ATOM 584 CE1 TYR A 40 6.979 6.324 0.745 1.00 1.30 C ATOM 585 CE2 TYR A 40 5.614 4.818 2.006 1.00 1.38 C ATOM 586 CZ TYR A 40 5.823 5.586 0.879 1.00 1.48 C ATOM 587 OH TYR A 40 4.873 5.615 -0.116 1.00 1.97 O ATOM 0 H TYR A 40 6.713 7.173 4.312 1.00 0.46 H new ATOM 0 HA TYR A 40 8.989 6.305 5.983 1.00 0.48 H new ATOM 0 HB2 TYR A 40 9.778 5.605 3.526 1.00 0.58 H new ATOM 0 HB3 TYR A 40 8.755 4.564 4.496 1.00 0.58 H new ATOM 0 HD1 TYR A 40 8.831 6.880 1.637 1.00 0.89 H new ATOM 0 HD2 TYR A 40 6.404 4.188 3.884 1.00 0.99 H new ATOM 0 HE1 TYR A 40 7.141 6.921 -0.140 1.00 1.30 H new ATOM 0 HE2 TYR A 40 4.708 4.240 2.108 1.00 1.38 H new ATOM 0 HH TYR A 40 5.097 4.951 -0.801 1.00 1.97 H new ATOM 597 N PRO A 41 9.802 8.751 5.538 1.00 0.47 N ATOM 598 CA PRO A 41 10.599 9.942 5.238 1.00 0.51 C ATOM 599 C PRO A 41 12.070 9.607 5.027 1.00 0.57 C ATOM 600 O PRO A 41 12.885 10.489 4.756 1.00 0.79 O ATOM 601 CB PRO A 41 10.421 10.806 6.486 1.00 0.66 C ATOM 602 CG PRO A 41 10.186 9.830 7.586 1.00 0.75 C ATOM 603 CD PRO A 41 9.449 8.671 6.970 1.00 0.62 C ATOM 0 HA PRO A 41 10.281 10.430 4.317 1.00 0.51 H new ATOM 0 HB2 PRO A 41 11.305 11.414 6.677 1.00 0.66 H new ATOM 0 HB3 PRO A 41 9.580 11.491 6.377 1.00 0.66 H new ATOM 0 HG2 PRO A 41 11.129 9.503 8.024 1.00 0.75 H new ATOM 0 HG3 PRO A 41 9.601 10.281 8.388 1.00 0.75 H new ATOM 0 HD2 PRO A 41 9.760 7.722 7.406 1.00 0.62 H new ATOM 0 HD3 PRO A 41 8.373 8.755 7.122 1.00 0.62 H new ATOM 611 N GLU A 42 12.402 8.326 5.153 1.00 0.48 N ATOM 612 CA GLU A 42 13.776 7.873 4.977 1.00 0.55 C ATOM 613 C GLU A 42 14.091 7.626 3.504 1.00 0.57 C ATOM 614 O GLU A 42 15.137 8.048 3.010 1.00 0.71 O ATOM 615 CB GLU A 42 14.028 6.605 5.797 1.00 0.59 C ATOM 616 CG GLU A 42 13.023 5.496 5.537 1.00 0.58 C ATOM 617 CD GLU A 42 13.347 4.230 6.306 1.00 0.72 C ATOM 618 OE1 GLU A 42 14.308 3.532 5.920 1.00 0.94 O ATOM 619 OE2 GLU A 42 12.639 3.936 7.291 1.00 0.87 O ATOM 0 H GLU A 42 11.738 7.584 5.376 1.00 0.48 H new ATOM 0 HA GLU A 42 14.439 8.661 5.335 1.00 0.55 H new ATOM 0 HB2 GLU A 42 15.029 6.234 5.577 1.00 0.59 H new ATOM 0 HB3 GLU A 42 14.008 6.859 6.857 1.00 0.59 H new ATOM 0 HG2 GLU A 42 12.026 5.841 5.813 1.00 0.58 H new ATOM 0 HG3 GLU A 42 12.999 5.274 4.470 1.00 0.58 H new ATOM 626 N VAL A 43 13.189 6.941 2.803 1.00 0.52 N ATOM 627 CA VAL A 43 13.391 6.658 1.387 1.00 0.60 C ATOM 628 C VAL A 43 12.866 7.806 0.524 1.00 0.51 C ATOM 629 O VAL A 43 11.712 8.209 0.663 1.00 0.52 O ATOM 630 CB VAL A 43 12.698 5.347 0.958 1.00 0.74 C ATOM 631 CG1 VAL A 43 11.187 5.475 1.048 1.00 0.90 C ATOM 632 CG2 VAL A 43 13.105 4.967 -0.454 1.00 0.99 C ATOM 0 H VAL A 43 12.319 6.575 3.190 1.00 0.52 H new ATOM 0 HA VAL A 43 14.465 6.548 1.238 1.00 0.60 H new ATOM 0 HB VAL A 43 13.018 4.560 1.641 1.00 0.74 H new ATOM 0 HG11 VAL A 43 10.723 4.538 0.740 1.00 0.90 H new ATOM 0 HG12 VAL A 43 10.902 5.701 2.075 1.00 0.90 H new ATOM 0 HG13 VAL A 43 10.850 6.278 0.393 1.00 0.90 H new ATOM 0 HG21 VAL A 43 12.607 4.040 -0.739 1.00 0.99 H new ATOM 0 HG22 VAL A 43 12.816 5.761 -1.142 1.00 0.99 H new ATOM 0 HG23 VAL A 43 14.185 4.826 -0.496 1.00 0.99 H new ATOM 642 N PRO A 44 13.704 8.361 -0.372 1.00 0.56 N ATOM 643 CA PRO A 44 13.293 9.461 -1.249 1.00 0.54 C ATOM 644 C PRO A 44 12.008 9.132 -2.005 1.00 0.54 C ATOM 645 O PRO A 44 11.680 7.962 -2.196 1.00 0.60 O ATOM 646 CB PRO A 44 14.466 9.604 -2.218 1.00 0.64 C ATOM 647 CG PRO A 44 15.638 9.082 -1.466 1.00 0.67 C ATOM 648 CD PRO A 44 15.109 7.974 -0.598 1.00 0.76 C ATOM 0 HA PRO A 44 13.077 10.374 -0.694 1.00 0.54 H new ATOM 0 HB2 PRO A 44 14.296 9.036 -3.133 1.00 0.64 H new ATOM 0 HB3 PRO A 44 14.614 10.643 -2.511 1.00 0.64 H new ATOM 0 HG2 PRO A 44 16.406 8.713 -2.146 1.00 0.67 H new ATOM 0 HG3 PRO A 44 16.096 9.866 -0.863 1.00 0.67 H new ATOM 0 HD2 PRO A 44 15.185 7.005 -1.092 1.00 0.76 H new ATOM 0 HD3 PRO A 44 15.661 7.898 0.339 1.00 0.76 H new ATOM 656 N PRO A 45 11.261 10.160 -2.449 1.00 0.56 N ATOM 657 CA PRO A 45 10.005 9.963 -3.177 1.00 0.67 C ATOM 658 C PRO A 45 10.231 9.357 -4.560 1.00 0.77 C ATOM 659 O PRO A 45 9.280 9.103 -5.301 1.00 1.08 O ATOM 660 CB PRO A 45 9.427 11.382 -3.294 1.00 0.72 C ATOM 661 CG PRO A 45 10.201 12.198 -2.311 1.00 0.63 C ATOM 662 CD PRO A 45 11.567 11.588 -2.287 1.00 0.56 C ATOM 0 HA PRO A 45 9.341 9.266 -2.665 1.00 0.67 H new ATOM 0 HB2 PRO A 45 9.540 11.772 -4.306 1.00 0.72 H new ATOM 0 HB3 PRO A 45 8.361 11.394 -3.065 1.00 0.72 H new ATOM 0 HG2 PRO A 45 10.242 13.244 -2.613 1.00 0.63 H new ATOM 0 HG3 PRO A 45 9.739 12.169 -1.324 1.00 0.63 H new ATOM 0 HD2 PRO A 45 12.197 11.965 -3.092 1.00 0.56 H new ATOM 0 HD3 PRO A 45 12.089 11.791 -1.352 1.00 0.56 H new ATOM 670 N GLU A 46 11.497 9.125 -4.899 1.00 0.65 N ATOM 671 CA GLU A 46 11.855 8.548 -6.191 1.00 0.77 C ATOM 672 C GLU A 46 12.471 7.161 -6.020 1.00 0.71 C ATOM 673 O GLU A 46 12.236 6.265 -6.831 1.00 0.81 O ATOM 674 CB GLU A 46 12.833 9.467 -6.927 1.00 0.92 C ATOM 675 CG GLU A 46 13.244 8.951 -8.297 1.00 1.61 C ATOM 676 CD GLU A 46 14.262 9.845 -8.974 1.00 2.17 C ATOM 677 OE1 GLU A 46 13.848 10.773 -9.700 1.00 2.25 O ATOM 678 OE2 GLU A 46 15.475 9.618 -8.779 1.00 3.02 O ATOM 0 H GLU A 46 12.293 9.329 -4.295 1.00 0.65 H new ATOM 0 HA GLU A 46 10.944 8.448 -6.781 1.00 0.77 H new ATOM 0 HB2 GLU A 46 12.378 10.451 -7.041 1.00 0.92 H new ATOM 0 HB3 GLU A 46 13.725 9.598 -6.315 1.00 0.92 H new ATOM 0 HG2 GLU A 46 13.658 7.948 -8.194 1.00 1.61 H new ATOM 0 HG3 GLU A 46 12.361 8.868 -8.930 1.00 1.61 H new ATOM 685 N GLU A 47 13.258 6.989 -4.959 1.00 0.63 N ATOM 686 CA GLU A 47 13.904 5.708 -4.686 1.00 0.66 C ATOM 687 C GLU A 47 12.893 4.684 -4.191 1.00 0.55 C ATOM 688 O GLU A 47 13.238 3.533 -3.928 1.00 0.59 O ATOM 689 CB GLU A 47 15.010 5.873 -3.643 1.00 0.81 C ATOM 690 CG GLU A 47 16.120 6.816 -4.078 1.00 1.25 C ATOM 691 CD GLU A 47 17.434 6.537 -3.371 1.00 1.42 C ATOM 692 OE1 GLU A 47 17.539 6.853 -2.167 1.00 1.58 O ATOM 693 OE2 GLU A 47 18.358 6.007 -4.021 1.00 1.62 O ATOM 0 H GLU A 47 13.463 7.719 -4.277 1.00 0.63 H new ATOM 0 HA GLU A 47 14.340 5.353 -5.620 1.00 0.66 H new ATOM 0 HB2 GLU A 47 14.572 6.244 -2.716 1.00 0.81 H new ATOM 0 HB3 GLU A 47 15.440 4.896 -3.424 1.00 0.81 H new ATOM 0 HG2 GLU A 47 16.265 6.728 -5.155 1.00 1.25 H new ATOM 0 HG3 GLU A 47 15.817 7.844 -3.880 1.00 1.25 H new ATOM 700 N PHE A 48 11.649 5.116 -4.047 1.00 0.48 N ATOM 701 CA PHE A 48 10.590 4.239 -3.577 1.00 0.45 C ATOM 702 C PHE A 48 10.074 3.335 -4.694 1.00 0.41 C ATOM 703 O PHE A 48 9.512 2.273 -4.430 1.00 0.45 O ATOM 704 CB PHE A 48 9.447 5.059 -2.984 1.00 0.54 C ATOM 705 CG PHE A 48 8.533 4.247 -2.119 1.00 1.39 C ATOM 706 CD1 PHE A 48 9.008 3.634 -0.976 1.00 2.39 C ATOM 707 CD2 PHE A 48 7.194 4.109 -2.447 1.00 1.41 C ATOM 708 CE1 PHE A 48 8.164 2.895 -0.172 1.00 3.37 C ATOM 709 CE2 PHE A 48 6.345 3.369 -1.648 1.00 2.36 C ATOM 710 CZ PHE A 48 6.847 2.725 -0.526 1.00 3.35 C ATOM 0 H PHE A 48 11.349 6.070 -4.249 1.00 0.48 H new ATOM 0 HA PHE A 48 11.007 3.599 -2.800 1.00 0.45 H new ATOM 0 HB2 PHE A 48 9.861 5.878 -2.397 1.00 0.54 H new ATOM 0 HB3 PHE A 48 8.870 5.507 -3.793 1.00 0.54 H new ATOM 0 HD1 PHE A 48 10.050 3.734 -0.709 1.00 2.39 H new ATOM 0 HD2 PHE A 48 6.810 4.585 -3.337 1.00 1.41 H new ATOM 0 HE1 PHE A 48 8.539 2.449 0.737 1.00 3.37 H new ATOM 0 HE2 PHE A 48 5.296 3.292 -1.895 1.00 2.36 H new ATOM 0 HZ PHE A 48 6.204 2.092 0.068 1.00 3.35 H new ATOM 720 N ARG A 49 10.262 3.763 -5.940 1.00 0.43 N ATOM 721 CA ARG A 49 9.804 2.991 -7.094 1.00 0.47 C ATOM 722 C ARG A 49 10.381 1.572 -7.109 1.00 0.49 C ATOM 723 O ARG A 49 9.627 0.608 -7.245 1.00 0.52 O ATOM 724 CB ARG A 49 10.153 3.705 -8.391 1.00 0.58 C ATOM 725 CG ARG A 49 9.386 4.999 -8.607 1.00 1.06 C ATOM 726 CD ARG A 49 7.909 4.739 -8.852 1.00 1.14 C ATOM 727 NE ARG A 49 7.192 5.959 -9.217 1.00 1.80 N ATOM 728 CZ ARG A 49 5.873 6.023 -9.367 1.00 2.30 C ATOM 729 NH1 ARG A 49 5.125 4.945 -9.171 1.00 2.42 N ATOM 730 NH2 ARG A 49 5.299 7.168 -9.713 1.00 3.07 N ATOM 0 H ARG A 49 10.728 4.639 -6.177 1.00 0.43 H new ATOM 0 HA ARG A 49 8.721 2.907 -7.008 1.00 0.47 H new ATOM 0 HB2 ARG A 49 11.221 3.922 -8.399 1.00 0.58 H new ATOM 0 HB3 ARG A 49 9.957 3.034 -9.228 1.00 0.58 H new ATOM 0 HG2 ARG A 49 9.503 5.642 -7.735 1.00 1.06 H new ATOM 0 HG3 ARG A 49 9.808 5.535 -9.457 1.00 1.06 H new ATOM 0 HD2 ARG A 49 7.798 4.001 -9.647 1.00 1.14 H new ATOM 0 HD3 ARG A 49 7.462 4.311 -7.955 1.00 1.14 H new ATOM 0 HE ARG A 49 7.735 6.810 -9.365 1.00 1.80 H new ATOM 0 HH11 ARG A 49 5.562 4.063 -8.904 1.00 2.42 H new ATOM 0 HH12 ARG A 49 4.113 4.998 -9.287 1.00 2.42 H new ATOM 0 HH21 ARG A 49 5.870 8.000 -9.864 1.00 3.07 H new ATOM 0 HH22 ARG A 49 4.287 7.217 -9.828 1.00 3.07 H new ATOM 744 N PRO A 50 11.719 1.406 -6.984 1.00 0.52 N ATOM 745 CA PRO A 50 12.334 0.077 -6.989 1.00 0.59 C ATOM 746 C PRO A 50 11.711 -0.828 -5.937 1.00 0.58 C ATOM 747 O PRO A 50 11.620 -2.043 -6.118 1.00 0.68 O ATOM 748 CB PRO A 50 13.813 0.341 -6.674 1.00 0.63 C ATOM 749 CG PRO A 50 13.871 1.745 -6.176 1.00 0.58 C ATOM 750 CD PRO A 50 12.725 2.468 -6.823 1.00 0.54 C ATOM 0 HA PRO A 50 12.192 -0.435 -7.941 1.00 0.59 H new ATOM 0 HB2 PRO A 50 14.185 -0.357 -5.924 1.00 0.63 H new ATOM 0 HB3 PRO A 50 14.432 0.214 -7.562 1.00 0.63 H new ATOM 0 HG2 PRO A 50 13.787 1.776 -5.090 1.00 0.58 H new ATOM 0 HG3 PRO A 50 14.821 2.211 -6.436 1.00 0.58 H new ATOM 0 HD2 PRO A 50 12.357 3.283 -6.199 1.00 0.54 H new ATOM 0 HD3 PRO A 50 13.010 2.903 -7.781 1.00 0.54 H new ATOM 758 N PHE A 51 11.284 -0.224 -4.834 1.00 0.49 N ATOM 759 CA PHE A 51 10.645 -0.965 -3.757 1.00 0.51 C ATOM 760 C PHE A 51 9.157 -1.118 -4.044 1.00 0.45 C ATOM 761 O PHE A 51 8.505 -2.029 -3.533 1.00 0.52 O ATOM 762 CB PHE A 51 10.853 -0.255 -2.418 1.00 0.60 C ATOM 763 CG PHE A 51 11.693 -1.038 -1.451 1.00 0.99 C ATOM 764 CD1 PHE A 51 11.116 -1.979 -0.614 1.00 1.29 C ATOM 765 CD2 PHE A 51 13.062 -0.833 -1.380 1.00 1.44 C ATOM 766 CE1 PHE A 51 11.888 -2.700 0.276 1.00 1.88 C ATOM 767 CE2 PHE A 51 13.839 -1.552 -0.492 1.00 2.02 C ATOM 768 CZ PHE A 51 13.245 -2.488 0.341 1.00 2.20 C ATOM 0 H PHE A 51 11.370 0.778 -4.664 1.00 0.49 H new ATOM 0 HA PHE A 51 11.100 -1.954 -3.697 1.00 0.51 H new ATOM 0 HB2 PHE A 51 11.324 0.711 -2.597 1.00 0.60 H new ATOM 0 HB3 PHE A 51 9.881 -0.057 -1.966 1.00 0.60 H new ATOM 0 HD1 PHE A 51 10.051 -2.151 -0.658 1.00 1.29 H new ATOM 0 HD2 PHE A 51 13.527 -0.103 -2.026 1.00 1.44 H new ATOM 0 HE1 PHE A 51 11.425 -3.431 0.922 1.00 1.88 H new ATOM 0 HE2 PHE A 51 14.905 -1.386 -0.447 1.00 2.02 H new ATOM 0 HZ PHE A 51 13.847 -3.050 1.040 1.00 2.20 H new ATOM 778 N LEU A 52 8.628 -0.219 -4.871 1.00 0.40 N ATOM 779 CA LEU A 52 7.221 -0.248 -5.238 1.00 0.43 C ATOM 780 C LEU A 52 6.962 -1.313 -6.291 1.00 0.44 C ATOM 781 O LEU A 52 5.824 -1.726 -6.495 1.00 0.50 O ATOM 782 CB LEU A 52 6.776 1.117 -5.772 1.00 0.55 C ATOM 783 CG LEU A 52 5.848 1.924 -4.859 1.00 0.56 C ATOM 784 CD1 LEU A 52 5.245 3.094 -5.615 1.00 1.33 C ATOM 785 CD2 LEU A 52 4.747 1.047 -4.285 1.00 1.15 C ATOM 0 H LEU A 52 9.158 0.540 -5.299 1.00 0.40 H new ATOM 0 HA LEU A 52 6.646 -0.487 -4.343 1.00 0.43 H new ATOM 0 HB2 LEU A 52 7.665 1.714 -5.973 1.00 0.55 H new ATOM 0 HB3 LEU A 52 6.272 0.965 -6.727 1.00 0.55 H new ATOM 0 HG LEU A 52 6.444 2.309 -4.031 1.00 0.56 H new ATOM 0 HD11 LEU A 52 4.588 3.656 -4.951 1.00 1.33 H new ATOM 0 HD12 LEU A 52 6.042 3.745 -5.974 1.00 1.33 H new ATOM 0 HD13 LEU A 52 4.671 2.722 -6.463 1.00 1.33 H new ATOM 0 HD21 LEU A 52 4.103 1.646 -3.641 1.00 1.15 H new ATOM 0 HD22 LEU A 52 4.156 0.626 -5.098 1.00 1.15 H new ATOM 0 HD23 LEU A 52 5.191 0.239 -3.704 1.00 1.15 H new ATOM 797 N ALA A 53 8.019 -1.753 -6.964 1.00 0.48 N ATOM 798 CA ALA A 53 7.891 -2.775 -7.994 1.00 0.59 C ATOM 799 C ALA A 53 7.155 -3.992 -7.451 1.00 0.60 C ATOM 800 O ALA A 53 6.610 -4.796 -8.208 1.00 0.76 O ATOM 801 CB ALA A 53 9.261 -3.174 -8.520 1.00 0.67 C ATOM 0 H ALA A 53 8.971 -1.419 -6.815 1.00 0.48 H new ATOM 0 HA ALA A 53 7.311 -2.361 -8.819 1.00 0.59 H new ATOM 0 HB1 ALA A 53 9.147 -3.938 -9.289 1.00 0.67 H new ATOM 0 HB2 ALA A 53 9.755 -2.301 -8.947 1.00 0.67 H new ATOM 0 HB3 ALA A 53 9.864 -3.569 -7.702 1.00 0.67 H new ATOM 807 N LYS A 54 7.144 -4.116 -6.127 1.00 0.51 N ATOM 808 CA LYS A 54 6.477 -5.224 -5.460 1.00 0.55 C ATOM 809 C LYS A 54 5.362 -4.717 -4.546 1.00 0.48 C ATOM 810 O LYS A 54 4.576 -5.502 -4.016 1.00 0.57 O ATOM 811 CB LYS A 54 7.494 -6.034 -4.654 1.00 0.62 C ATOM 812 CG LYS A 54 8.618 -6.606 -5.505 1.00 0.76 C ATOM 813 CD LYS A 54 9.669 -7.304 -4.657 1.00 0.94 C ATOM 814 CE LYS A 54 10.456 -6.314 -3.812 1.00 1.21 C ATOM 815 NZ LYS A 54 11.137 -5.290 -4.651 1.00 1.84 N ATOM 0 H LYS A 54 7.594 -3.456 -5.493 1.00 0.51 H new ATOM 0 HA LYS A 54 6.029 -5.866 -6.219 1.00 0.55 H new ATOM 0 HB2 LYS A 54 7.922 -5.398 -3.879 1.00 0.62 H new ATOM 0 HB3 LYS A 54 6.979 -6.851 -4.148 1.00 0.62 H new ATOM 0 HG2 LYS A 54 8.205 -7.312 -6.226 1.00 0.76 H new ATOM 0 HG3 LYS A 54 9.086 -5.804 -6.076 1.00 0.76 H new ATOM 0 HD2 LYS A 54 9.187 -8.034 -4.008 1.00 0.94 H new ATOM 0 HD3 LYS A 54 10.352 -7.855 -5.304 1.00 0.94 H new ATOM 0 HE2 LYS A 54 9.784 -5.820 -3.110 1.00 1.21 H new ATOM 0 HE3 LYS A 54 11.197 -6.850 -3.220 1.00 1.21 H new ATOM 0 HZ1 LYS A 54 11.911 -4.856 -4.109 1.00 1.84 H new ATOM 0 HZ2 LYS A 54 11.523 -5.741 -5.505 1.00 1.84 H new ATOM 0 HZ3 LYS A 54 10.453 -4.556 -4.926 1.00 1.84 H new ATOM 829 N MET A 55 5.302 -3.399 -4.368 1.00 0.38 N ATOM 830 CA MET A 55 4.289 -2.777 -3.520 1.00 0.34 C ATOM 831 C MET A 55 3.343 -1.900 -4.343 1.00 0.33 C ATOM 832 O MET A 55 2.559 -1.127 -3.791 1.00 0.35 O ATOM 833 CB MET A 55 4.964 -1.948 -2.422 1.00 0.33 C ATOM 834 CG MET A 55 5.564 -2.794 -1.306 1.00 0.42 C ATOM 835 SD MET A 55 7.245 -2.303 -0.883 1.00 1.95 S ATOM 836 CE MET A 55 6.985 -0.600 -0.400 1.00 2.78 C ATOM 0 H MET A 55 5.947 -2.739 -4.802 1.00 0.38 H new ATOM 0 HA MET A 55 3.697 -3.567 -3.058 1.00 0.34 H new ATOM 0 HB2 MET A 55 5.750 -1.339 -2.869 1.00 0.33 H new ATOM 0 HB3 MET A 55 4.233 -1.262 -1.994 1.00 0.33 H new ATOM 0 HG2 MET A 55 4.934 -2.717 -0.420 1.00 0.42 H new ATOM 0 HG3 MET A 55 5.562 -3.841 -1.609 1.00 0.42 H new ATOM 0 HE1 MET A 55 7.946 -0.090 -0.332 1.00 2.78 H new ATOM 0 HE2 MET A 55 6.362 -0.102 -1.143 1.00 2.78 H new ATOM 0 HE3 MET A 55 6.489 -0.569 0.570 1.00 2.78 H new ATOM 846 N ARG A 56 3.420 -2.035 -5.666 1.00 0.37 N ATOM 847 CA ARG A 56 2.573 -1.265 -6.575 1.00 0.42 C ATOM 848 C ARG A 56 1.348 -2.071 -6.984 1.00 0.41 C ATOM 849 O ARG A 56 0.301 -1.507 -7.302 1.00 0.43 O ATOM 850 CB ARG A 56 3.355 -0.859 -7.828 1.00 0.54 C ATOM 851 CG ARG A 56 3.848 0.577 -7.804 1.00 1.09 C ATOM 852 CD ARG A 56 4.841 0.841 -8.925 1.00 1.35 C ATOM 853 NE ARG A 56 4.256 0.610 -10.243 1.00 1.81 N ATOM 854 CZ ARG A 56 4.924 0.760 -11.384 1.00 2.37 C ATOM 855 NH1 ARG A 56 6.193 1.148 -11.367 1.00 2.58 N ATOM 856 NH2 ARG A 56 4.324 0.525 -12.544 1.00 3.05 N ATOM 0 H ARG A 56 4.063 -2.673 -6.134 1.00 0.37 H new ATOM 0 HA ARG A 56 2.249 -0.368 -6.048 1.00 0.42 H new ATOM 0 HB2 ARG A 56 4.210 -1.525 -7.943 1.00 0.54 H new ATOM 0 HB3 ARG A 56 2.721 -1.001 -8.703 1.00 0.54 H new ATOM 0 HG2 ARG A 56 3.001 1.256 -7.899 1.00 1.09 H new ATOM 0 HG3 ARG A 56 4.318 0.786 -6.843 1.00 1.09 H new ATOM 0 HD2 ARG A 56 5.194 1.870 -8.861 1.00 1.35 H new ATOM 0 HD3 ARG A 56 5.711 0.197 -8.797 1.00 1.35 H new ATOM 0 HE ARG A 56 3.280 0.317 -10.292 1.00 1.81 H new ATOM 0 HH11 ARG A 56 6.658 1.332 -10.478 1.00 2.58 H new ATOM 0 HH12 ARG A 56 6.703 1.262 -12.243 1.00 2.58 H new ATOM 0 HH21 ARG A 56 3.348 0.229 -12.563 1.00 3.05 H new ATOM 0 HH22 ARG A 56 4.839 0.641 -13.417 1.00 3.05 H new ATOM 870 N GLY A 57 1.490 -3.393 -6.976 1.00 0.43 N ATOM 871 CA GLY A 57 0.389 -4.260 -7.348 1.00 0.45 C ATOM 872 C GLY A 57 -0.854 -4.000 -6.522 1.00 0.39 C ATOM 873 O GLY A 57 -1.961 -4.363 -6.920 1.00 0.48 O ATOM 0 H GLY A 57 2.349 -3.879 -6.718 1.00 0.43 H new ATOM 0 HA2 GLY A 57 0.157 -4.116 -8.403 1.00 0.45 H new ATOM 0 HA3 GLY A 57 0.692 -5.300 -7.227 1.00 0.45 H new ATOM 877 N ILE A 58 -0.671 -3.363 -5.371 1.00 0.41 N ATOM 878 CA ILE A 58 -1.783 -3.057 -4.484 1.00 0.39 C ATOM 879 C ILE A 58 -2.316 -1.648 -4.735 1.00 0.40 C ATOM 880 O ILE A 58 -3.476 -1.355 -4.444 1.00 0.47 O ATOM 881 CB ILE A 58 -1.367 -3.176 -3.006 1.00 0.42 C ATOM 882 CG1 ILE A 58 -0.467 -4.392 -2.795 1.00 0.53 C ATOM 883 CG2 ILE A 58 -2.597 -3.266 -2.116 1.00 0.43 C ATOM 884 CD1 ILE A 58 0.934 -4.032 -2.350 1.00 0.71 C ATOM 0 H ILE A 58 0.238 -3.049 -5.032 1.00 0.41 H new ATOM 0 HA ILE A 58 -2.567 -3.784 -4.697 1.00 0.39 H new ATOM 0 HB ILE A 58 -0.805 -2.283 -2.735 1.00 0.42 H new ATOM 0 HG12 ILE A 58 -0.920 -5.046 -2.050 1.00 0.53 H new ATOM 0 HG13 ILE A 58 -0.411 -4.959 -3.724 1.00 0.53 H new ATOM 0 HG21 ILE A 58 -2.287 -3.350 -1.074 1.00 0.43 H new ATOM 0 HG22 ILE A 58 -3.204 -2.370 -2.243 1.00 0.43 H new ATOM 0 HG23 ILE A 58 -3.182 -4.143 -2.392 1.00 0.43 H new ATOM 0 HD11 ILE A 58 1.519 -4.942 -2.219 1.00 0.71 H new ATOM 0 HD12 ILE A 58 1.405 -3.403 -3.105 1.00 0.71 H new ATOM 0 HD13 ILE A 58 0.888 -3.491 -1.405 1.00 0.71 H new ATOM 896 N LEU A 59 -1.461 -0.782 -5.274 1.00 0.44 N ATOM 897 CA LEU A 59 -1.849 0.596 -5.559 1.00 0.49 C ATOM 898 C LEU A 59 -2.717 0.673 -6.811 1.00 0.52 C ATOM 899 O LEU A 59 -3.855 1.130 -6.753 1.00 0.56 O ATOM 900 CB LEU A 59 -0.603 1.490 -5.700 1.00 0.58 C ATOM 901 CG LEU A 59 -0.859 2.957 -6.092 1.00 0.88 C ATOM 902 CD1 LEU A 59 -0.991 3.107 -7.603 1.00 1.39 C ATOM 903 CD2 LEU A 59 -2.099 3.504 -5.392 1.00 1.71 C ATOM 0 H LEU A 59 -0.498 -1.010 -5.521 1.00 0.44 H new ATOM 0 HA LEU A 59 -2.441 0.962 -4.720 1.00 0.49 H new ATOM 0 HB2 LEU A 59 -0.064 1.478 -4.753 1.00 0.58 H new ATOM 0 HB3 LEU A 59 0.055 1.046 -6.447 1.00 0.58 H new ATOM 0 HG LEU A 59 0.003 3.539 -5.765 1.00 0.88 H new ATOM 0 HD11 LEU A 59 -1.171 4.153 -7.850 1.00 1.39 H new ATOM 0 HD12 LEU A 59 -0.071 2.774 -8.083 1.00 1.39 H new ATOM 0 HD13 LEU A 59 -1.825 2.501 -7.957 1.00 1.39 H new ATOM 0 HD21 LEU A 59 -2.256 4.541 -5.687 1.00 1.71 H new ATOM 0 HD22 LEU A 59 -2.968 2.911 -5.676 1.00 1.71 H new ATOM 0 HD23 LEU A 59 -1.960 3.451 -4.312 1.00 1.71 H new ATOM 915 N LYS A 60 -2.178 0.228 -7.943 1.00 0.59 N ATOM 916 CA LYS A 60 -2.921 0.262 -9.199 1.00 0.68 C ATOM 917 C LYS A 60 -4.181 -0.598 -9.103 1.00 0.65 C ATOM 918 O LYS A 60 -5.100 -0.467 -9.909 1.00 0.74 O ATOM 919 CB LYS A 60 -2.032 -0.200 -10.365 1.00 0.80 C ATOM 920 CG LYS A 60 -2.180 -1.672 -10.733 1.00 0.92 C ATOM 921 CD LYS A 60 -1.681 -2.589 -9.627 1.00 1.07 C ATOM 922 CE LYS A 60 -1.926 -4.051 -9.969 1.00 1.10 C ATOM 923 NZ LYS A 60 -1.157 -4.477 -11.170 1.00 1.60 N ATOM 0 H LYS A 60 -1.237 -0.158 -8.017 1.00 0.59 H new ATOM 0 HA LYS A 60 -3.226 1.291 -9.390 1.00 0.68 H new ATOM 0 HB2 LYS A 60 -2.263 0.405 -11.242 1.00 0.80 H new ATOM 0 HB3 LYS A 60 -0.990 -0.006 -10.109 1.00 0.80 H new ATOM 0 HG2 LYS A 60 -3.228 -1.890 -10.940 1.00 0.92 H new ATOM 0 HG3 LYS A 60 -1.625 -1.874 -11.649 1.00 0.92 H new ATOM 0 HD2 LYS A 60 -0.615 -2.424 -9.468 1.00 1.07 H new ATOM 0 HD3 LYS A 60 -2.185 -2.343 -8.692 1.00 1.07 H new ATOM 0 HE2 LYS A 60 -1.647 -4.674 -9.119 1.00 1.10 H new ATOM 0 HE3 LYS A 60 -2.990 -4.209 -10.144 1.00 1.10 H new ATOM 0 HZ1 LYS A 60 -1.243 -5.506 -11.290 1.00 1.60 H new ATOM 0 HZ2 LYS A 60 -1.534 -3.997 -12.012 1.00 1.60 H new ATOM 0 HZ3 LYS A 60 -0.155 -4.226 -11.048 1.00 1.60 H new ATOM 937 N SER A 61 -4.208 -1.477 -8.110 1.00 0.55 N ATOM 938 CA SER A 61 -5.341 -2.367 -7.898 1.00 0.55 C ATOM 939 C SER A 61 -6.518 -1.632 -7.262 1.00 0.57 C ATOM 940 O SER A 61 -7.647 -1.714 -7.740 1.00 0.71 O ATOM 941 CB SER A 61 -4.927 -3.532 -6.999 1.00 0.51 C ATOM 942 OG SER A 61 -6.005 -4.428 -6.796 1.00 1.20 O ATOM 0 H SER A 61 -3.452 -1.593 -7.435 1.00 0.55 H new ATOM 0 HA SER A 61 -5.656 -2.742 -8.872 1.00 0.55 H new ATOM 0 HB2 SER A 61 -4.089 -4.063 -7.450 1.00 0.51 H new ATOM 0 HB3 SER A 61 -4.582 -3.149 -6.038 1.00 0.51 H new ATOM 0 HG SER A 61 -5.657 -5.334 -6.663 1.00 1.20 H new ATOM 948 N ILE A 62 -6.242 -0.928 -6.174 1.00 0.50 N ATOM 949 CA ILE A 62 -7.273 -0.195 -5.446 1.00 0.56 C ATOM 950 C ILE A 62 -7.547 1.190 -6.043 1.00 0.64 C ATOM 951 O ILE A 62 -8.646 1.726 -5.902 1.00 0.70 O ATOM 952 CB ILE A 62 -6.875 -0.034 -3.965 1.00 0.55 C ATOM 953 CG1 ILE A 62 -6.601 -1.405 -3.341 1.00 0.54 C ATOM 954 CG2 ILE A 62 -7.963 0.700 -3.193 1.00 0.65 C ATOM 955 CD1 ILE A 62 -6.014 -1.334 -1.947 1.00 0.79 C ATOM 0 H ILE A 62 -5.308 -0.847 -5.772 1.00 0.50 H new ATOM 0 HA ILE A 62 -8.187 -0.783 -5.530 1.00 0.56 H new ATOM 0 HB ILE A 62 -5.963 0.561 -3.912 1.00 0.55 H new ATOM 0 HG12 ILE A 62 -7.532 -1.970 -3.305 1.00 0.54 H new ATOM 0 HG13 ILE A 62 -5.917 -1.957 -3.986 1.00 0.54 H new ATOM 0 HG21 ILE A 62 -7.663 0.803 -2.150 1.00 0.65 H new ATOM 0 HG22 ILE A 62 -8.113 1.689 -3.627 1.00 0.65 H new ATOM 0 HG23 ILE A 62 -8.893 0.134 -3.248 1.00 0.65 H new ATOM 0 HD11 ILE A 62 -5.847 -2.343 -1.571 1.00 0.79 H new ATOM 0 HD12 ILE A 62 -5.066 -0.797 -1.978 1.00 0.79 H new ATOM 0 HD13 ILE A 62 -6.706 -0.810 -1.287 1.00 0.79 H new ATOM 967 N ALA A 63 -6.552 1.764 -6.710 1.00 0.68 N ATOM 968 CA ALA A 63 -6.689 3.103 -7.282 1.00 0.79 C ATOM 969 C ALA A 63 -7.375 3.113 -8.649 1.00 0.84 C ATOM 970 O ALA A 63 -8.447 3.701 -8.805 1.00 0.90 O ATOM 971 CB ALA A 63 -5.325 3.767 -7.381 1.00 0.88 C ATOM 0 H ALA A 63 -5.644 1.327 -6.869 1.00 0.68 H new ATOM 0 HA ALA A 63 -7.334 3.665 -6.607 1.00 0.79 H new ATOM 0 HB1 ALA A 63 -5.436 4.764 -7.808 1.00 0.88 H new ATOM 0 HB2 ALA A 63 -4.885 3.845 -6.387 1.00 0.88 H new ATOM 0 HB3 ALA A 63 -4.675 3.169 -8.019 1.00 0.88 H new ATOM 977 N SER A 64 -6.760 2.469 -9.636 1.00 0.88 N ATOM 978 CA SER A 64 -7.309 2.455 -10.992 1.00 1.00 C ATOM 979 C SER A 64 -8.423 1.423 -11.168 1.00 0.96 C ATOM 980 O SER A 64 -9.164 1.476 -12.150 1.00 1.11 O ATOM 981 CB SER A 64 -6.199 2.196 -12.013 1.00 1.13 C ATOM 982 OG SER A 64 -5.751 0.853 -11.954 1.00 1.56 O ATOM 0 H SER A 64 -5.887 1.953 -9.526 1.00 0.88 H new ATOM 0 HA SER A 64 -7.747 3.438 -11.162 1.00 1.00 H new ATOM 0 HB2 SER A 64 -6.565 2.416 -13.016 1.00 1.13 H new ATOM 0 HB3 SER A 64 -5.363 2.870 -11.824 1.00 1.13 H new ATOM 0 HG SER A 64 -5.844 0.517 -11.038 1.00 1.56 H new ATOM 988 N ALA A 65 -8.545 0.487 -10.231 1.00 0.84 N ATOM 989 CA ALA A 65 -9.579 -0.540 -10.333 1.00 0.84 C ATOM 990 C ALA A 65 -10.503 -0.551 -9.118 1.00 0.75 C ATOM 991 O ALA A 65 -11.711 -0.749 -9.254 1.00 0.82 O ATOM 992 CB ALA A 65 -8.944 -1.908 -10.527 1.00 0.83 C ATOM 0 H ALA A 65 -7.951 0.417 -9.404 1.00 0.84 H new ATOM 0 HA ALA A 65 -10.191 -0.300 -11.202 1.00 0.84 H new ATOM 0 HB1 ALA A 65 -9.725 -2.664 -10.602 1.00 0.83 H new ATOM 0 HB2 ALA A 65 -8.351 -1.907 -11.442 1.00 0.83 H new ATOM 0 HB3 ALA A 65 -8.300 -2.134 -9.677 1.00 0.83 H new ATOM 998 N ASP A 66 -9.932 -0.335 -7.936 1.00 0.65 N ATOM 999 CA ASP A 66 -10.709 -0.329 -6.697 1.00 0.65 C ATOM 1000 C ASP A 66 -11.502 -1.625 -6.541 1.00 0.66 C ATOM 1001 O ASP A 66 -12.630 -1.735 -7.022 1.00 1.01 O ATOM 1002 CB ASP A 66 -11.656 0.872 -6.666 1.00 0.75 C ATOM 1003 CG ASP A 66 -12.541 0.880 -5.434 1.00 1.05 C ATOM 1004 OD1 ASP A 66 -12.073 1.336 -4.370 1.00 1.08 O ATOM 1005 OD2 ASP A 66 -13.703 0.432 -5.535 1.00 1.53 O ATOM 0 H ASP A 66 -8.935 -0.162 -7.809 1.00 0.65 H new ATOM 0 HA ASP A 66 -10.011 -0.251 -5.863 1.00 0.65 H new ATOM 0 HB2 ASP A 66 -11.072 1.792 -6.697 1.00 0.75 H new ATOM 0 HB3 ASP A 66 -12.281 0.861 -7.559 1.00 0.75 H new ATOM 1010 N MET A 67 -10.902 -2.604 -5.870 1.00 0.55 N ATOM 1011 CA MET A 67 -11.551 -3.894 -5.657 1.00 0.55 C ATOM 1012 C MET A 67 -12.380 -3.883 -4.377 1.00 0.65 C ATOM 1013 O MET A 67 -12.410 -2.888 -3.653 1.00 0.81 O ATOM 1014 CB MET A 67 -10.508 -5.009 -5.594 1.00 0.49 C ATOM 1015 CG MET A 67 -9.560 -5.021 -6.782 1.00 0.49 C ATOM 1016 SD MET A 67 -8.668 -6.580 -6.945 1.00 1.00 S ATOM 1017 CE MET A 67 -7.814 -6.322 -8.498 1.00 1.52 C ATOM 0 H MET A 67 -9.969 -2.529 -5.465 1.00 0.55 H new ATOM 0 HA MET A 67 -12.219 -4.079 -6.498 1.00 0.55 H new ATOM 0 HB2 MET A 67 -9.928 -4.901 -4.678 1.00 0.49 H new ATOM 0 HB3 MET A 67 -11.019 -5.970 -5.537 1.00 0.49 H new ATOM 0 HG2 MET A 67 -10.126 -4.834 -7.695 1.00 0.49 H new ATOM 0 HG3 MET A 67 -8.843 -4.206 -6.678 1.00 0.49 H new ATOM 0 HE1 MET A 67 -6.875 -6.876 -8.493 1.00 1.52 H new ATOM 0 HE2 MET A 67 -8.439 -6.673 -9.319 1.00 1.52 H new ATOM 0 HE3 MET A 67 -7.608 -5.260 -8.628 1.00 1.52 H new ATOM 1027 N ASP A 68 -13.052 -4.998 -4.104 1.00 0.64 N ATOM 1028 CA ASP A 68 -13.884 -5.116 -2.912 1.00 0.77 C ATOM 1029 C ASP A 68 -13.078 -5.648 -1.730 1.00 0.67 C ATOM 1030 O ASP A 68 -12.615 -4.876 -0.889 1.00 1.22 O ATOM 1031 CB ASP A 68 -15.081 -6.030 -3.185 1.00 1.02 C ATOM 1032 CG ASP A 68 -16.021 -5.455 -4.227 1.00 1.55 C ATOM 1033 OD1 ASP A 68 -15.799 -5.708 -5.430 1.00 1.92 O ATOM 1034 OD2 ASP A 68 -16.980 -4.754 -3.841 1.00 1.91 O ATOM 0 H ASP A 68 -13.036 -5.831 -4.692 1.00 0.64 H new ATOM 0 HA ASP A 68 -14.248 -4.121 -2.657 1.00 0.77 H new ATOM 0 HB2 ASP A 68 -14.723 -7.003 -3.520 1.00 1.02 H new ATOM 0 HB3 ASP A 68 -15.628 -6.194 -2.257 1.00 1.02 H new ATOM 1039 N PHE A 69 -12.909 -6.966 -1.670 1.00 0.74 N ATOM 1040 CA PHE A 69 -12.159 -7.589 -0.584 1.00 0.83 C ATOM 1041 C PHE A 69 -11.816 -9.040 -0.909 1.00 0.99 C ATOM 1042 O PHE A 69 -10.721 -9.510 -0.604 1.00 1.85 O ATOM 1043 CB PHE A 69 -12.959 -7.518 0.718 1.00 1.00 C ATOM 1044 CG PHE A 69 -14.322 -8.146 0.632 1.00 1.45 C ATOM 1045 CD1 PHE A 69 -15.409 -7.415 0.180 1.00 2.08 C ATOM 1046 CD2 PHE A 69 -14.515 -9.468 1.002 1.00 1.82 C ATOM 1047 CE1 PHE A 69 -16.662 -7.989 0.099 1.00 2.91 C ATOM 1048 CE2 PHE A 69 -15.767 -10.047 0.922 1.00 2.52 C ATOM 1049 CZ PHE A 69 -16.843 -9.305 0.474 1.00 3.05 C ATOM 0 H PHE A 69 -13.280 -7.621 -2.358 1.00 0.74 H new ATOM 0 HA PHE A 69 -11.225 -7.040 -0.462 1.00 0.83 H new ATOM 0 HB2 PHE A 69 -12.392 -8.011 1.508 1.00 1.00 H new ATOM 0 HB3 PHE A 69 -13.069 -6.473 1.009 1.00 1.00 H new ATOM 0 HD1 PHE A 69 -15.274 -6.384 -0.112 1.00 2.08 H new ATOM 0 HD2 PHE A 69 -13.678 -10.051 1.356 1.00 1.82 H new ATOM 0 HE1 PHE A 69 -17.500 -7.409 -0.258 1.00 2.91 H new ATOM 0 HE2 PHE A 69 -15.904 -11.079 1.209 1.00 2.52 H new ATOM 0 HZ PHE A 69 -17.824 -9.754 0.417 1.00 3.05 H new ATOM 1059 N ASN A 70 -12.757 -9.743 -1.530 1.00 0.86 N ATOM 1060 CA ASN A 70 -12.554 -11.141 -1.891 1.00 0.89 C ATOM 1061 C ASN A 70 -11.624 -11.263 -3.096 1.00 0.83 C ATOM 1062 O ASN A 70 -11.192 -12.361 -3.451 1.00 1.09 O ATOM 1063 CB ASN A 70 -13.898 -11.808 -2.193 1.00 1.03 C ATOM 1064 CG ASN A 70 -13.756 -13.276 -2.544 1.00 1.77 C ATOM 1065 OD1 ASN A 70 -13.599 -13.634 -3.711 1.00 2.50 O ATOM 1066 ND2 ASN A 70 -13.812 -14.134 -1.533 1.00 2.40 N ATOM 0 H ASN A 70 -13.668 -9.367 -1.794 1.00 0.86 H new ATOM 0 HA ASN A 70 -12.087 -11.648 -1.046 1.00 0.89 H new ATOM 0 HB2 ASN A 70 -14.552 -11.707 -1.327 1.00 1.03 H new ATOM 0 HB3 ASN A 70 -14.381 -11.286 -3.019 1.00 1.03 H new ATOM 0 HD21 ASN A 70 -13.724 -15.135 -1.708 1.00 2.40 H new ATOM 0 HD22 ASN A 70 -13.943 -13.792 -0.581 1.00 2.40 H new ATOM 1073 N GLN A 71 -11.315 -10.129 -3.717 1.00 0.69 N ATOM 1074 CA GLN A 71 -10.435 -10.110 -4.881 1.00 0.68 C ATOM 1075 C GLN A 71 -8.984 -9.888 -4.464 1.00 0.58 C ATOM 1076 O GLN A 71 -8.072 -10.523 -4.996 1.00 0.72 O ATOM 1077 CB GLN A 71 -10.877 -9.019 -5.860 1.00 0.74 C ATOM 1078 CG GLN A 71 -12.341 -9.121 -6.260 1.00 0.88 C ATOM 1079 CD GLN A 71 -12.746 -8.072 -7.276 1.00 1.32 C ATOM 1080 OE1 GLN A 71 -12.188 -6.975 -7.312 1.00 1.79 O ATOM 1081 NE2 GLN A 71 -13.726 -8.402 -8.111 1.00 1.90 N ATOM 0 H GLN A 71 -11.660 -9.212 -3.434 1.00 0.69 H new ATOM 0 HA GLN A 71 -10.503 -11.079 -5.376 1.00 0.68 H new ATOM 0 HB2 GLN A 71 -10.699 -8.043 -5.409 1.00 0.74 H new ATOM 0 HB3 GLN A 71 -10.259 -9.074 -6.756 1.00 0.74 H new ATOM 0 HG2 GLN A 71 -12.532 -10.112 -6.672 1.00 0.88 H new ATOM 0 HG3 GLN A 71 -12.964 -9.019 -5.371 1.00 0.88 H new ATOM 0 HE21 GLN A 71 -14.162 -9.322 -8.048 1.00 1.90 H new ATOM 0 HE22 GLN A 71 -14.042 -7.735 -8.815 1.00 1.90 H new ATOM 1090 N LEU A 72 -8.776 -8.986 -3.509 1.00 0.45 N ATOM 1091 CA LEU A 72 -7.433 -8.684 -3.020 1.00 0.39 C ATOM 1092 C LEU A 72 -6.916 -9.789 -2.106 1.00 0.41 C ATOM 1093 O LEU A 72 -5.711 -10.034 -2.034 1.00 0.41 O ATOM 1094 CB LEU A 72 -7.424 -7.357 -2.259 1.00 0.40 C ATOM 1095 CG LEU A 72 -7.717 -6.114 -3.091 1.00 0.52 C ATOM 1096 CD1 LEU A 72 -7.708 -4.885 -2.199 1.00 1.10 C ATOM 1097 CD2 LEU A 72 -6.700 -5.966 -4.213 1.00 1.06 C ATOM 0 H LEU A 72 -9.519 -8.452 -3.058 1.00 0.45 H new ATOM 0 HA LEU A 72 -6.779 -8.611 -3.889 1.00 0.39 H new ATOM 0 HB2 LEU A 72 -8.159 -7.415 -1.456 1.00 0.40 H new ATOM 0 HB3 LEU A 72 -6.448 -7.235 -1.790 1.00 0.40 H new ATOM 0 HG LEU A 72 -8.704 -6.218 -3.542 1.00 0.52 H new ATOM 0 HD11 LEU A 72 -7.918 -3.999 -2.798 1.00 1.10 H new ATOM 0 HD12 LEU A 72 -8.470 -4.990 -1.427 1.00 1.10 H new ATOM 0 HD13 LEU A 72 -6.729 -4.783 -1.731 1.00 1.10 H new ATOM 0 HD21 LEU A 72 -6.927 -5.073 -4.795 1.00 1.06 H new ATOM 0 HD22 LEU A 72 -5.700 -5.878 -3.788 1.00 1.06 H new ATOM 0 HD23 LEU A 72 -6.743 -6.841 -4.861 1.00 1.06 H new ATOM 1109 N GLU A 73 -7.836 -10.446 -1.406 1.00 0.49 N ATOM 1110 CA GLU A 73 -7.487 -11.522 -0.481 1.00 0.57 C ATOM 1111 C GLU A 73 -6.511 -12.511 -1.115 1.00 0.59 C ATOM 1112 O GLU A 73 -5.496 -12.867 -0.514 1.00 0.68 O ATOM 1113 CB GLU A 73 -8.750 -12.256 -0.027 1.00 0.67 C ATOM 1114 CG GLU A 73 -8.481 -13.397 0.942 1.00 0.75 C ATOM 1115 CD GLU A 73 -9.750 -14.099 1.384 1.00 1.45 C ATOM 1116 OE1 GLU A 73 -10.232 -14.978 0.638 1.00 2.25 O ATOM 1117 OE2 GLU A 73 -10.263 -13.771 2.473 1.00 1.76 O ATOM 0 H GLU A 73 -8.836 -10.251 -1.462 1.00 0.49 H new ATOM 0 HA GLU A 73 -6.998 -11.072 0.383 1.00 0.57 H new ATOM 0 HB2 GLU A 73 -9.424 -11.542 0.445 1.00 0.67 H new ATOM 0 HB3 GLU A 73 -9.265 -12.649 -0.903 1.00 0.67 H new ATOM 0 HG2 GLU A 73 -7.816 -14.120 0.470 1.00 0.75 H new ATOM 0 HG3 GLU A 73 -7.961 -13.010 1.818 1.00 0.75 H new ATOM 1124 N ALA A 74 -6.821 -12.946 -2.331 1.00 0.62 N ATOM 1125 CA ALA A 74 -5.976 -13.901 -3.041 1.00 0.70 C ATOM 1126 C ALA A 74 -4.814 -13.208 -3.747 1.00 0.57 C ATOM 1127 O ALA A 74 -3.832 -13.852 -4.117 1.00 0.60 O ATOM 1128 CB ALA A 74 -6.807 -14.690 -4.043 1.00 0.89 C ATOM 0 H ALA A 74 -7.651 -12.653 -2.846 1.00 0.62 H new ATOM 0 HA ALA A 74 -5.554 -14.586 -2.305 1.00 0.70 H new ATOM 0 HB1 ALA A 74 -6.167 -15.400 -4.567 1.00 0.89 H new ATOM 0 HB2 ALA A 74 -7.594 -15.231 -3.517 1.00 0.89 H new ATOM 0 HB3 ALA A 74 -7.256 -14.005 -4.763 1.00 0.89 H new ATOM 1134 N PHE A 75 -4.928 -11.896 -3.929 1.00 0.49 N ATOM 1135 CA PHE A 75 -3.887 -11.126 -4.605 1.00 0.46 C ATOM 1136 C PHE A 75 -2.617 -11.034 -3.765 1.00 0.38 C ATOM 1137 O PHE A 75 -1.513 -11.205 -4.281 1.00 0.47 O ATOM 1138 CB PHE A 75 -4.392 -9.723 -4.941 1.00 0.55 C ATOM 1139 CG PHE A 75 -3.368 -8.869 -5.632 1.00 0.63 C ATOM 1140 CD1 PHE A 75 -3.156 -8.991 -6.995 1.00 0.76 C ATOM 1141 CD2 PHE A 75 -2.614 -7.951 -4.919 1.00 0.67 C ATOM 1142 CE1 PHE A 75 -2.213 -8.212 -7.636 1.00 0.88 C ATOM 1143 CE2 PHE A 75 -1.669 -7.169 -5.554 1.00 0.82 C ATOM 1144 CZ PHE A 75 -1.469 -7.300 -6.915 1.00 0.91 C ATOM 0 H PHE A 75 -5.728 -11.344 -3.619 1.00 0.49 H new ATOM 0 HA PHE A 75 -3.642 -11.651 -5.528 1.00 0.46 H new ATOM 0 HB2 PHE A 75 -5.274 -9.805 -5.576 1.00 0.55 H new ATOM 0 HB3 PHE A 75 -4.706 -9.228 -4.022 1.00 0.55 H new ATOM 0 HD1 PHE A 75 -3.735 -9.704 -7.563 1.00 0.76 H new ATOM 0 HD2 PHE A 75 -2.767 -7.846 -3.855 1.00 0.67 H new ATOM 0 HE1 PHE A 75 -2.058 -8.316 -8.700 1.00 0.88 H new ATOM 0 HE2 PHE A 75 -1.087 -6.456 -4.988 1.00 0.82 H new ATOM 0 HZ PHE A 75 -0.731 -6.689 -7.414 1.00 0.91 H new ATOM 1154 N LEU A 76 -2.772 -10.757 -2.475 1.00 0.33 N ATOM 1155 CA LEU A 76 -1.625 -10.640 -1.582 1.00 0.36 C ATOM 1156 C LEU A 76 -0.817 -11.935 -1.569 1.00 0.40 C ATOM 1157 O LEU A 76 0.413 -11.909 -1.551 1.00 0.60 O ATOM 1158 CB LEU A 76 -2.085 -10.291 -0.163 1.00 0.43 C ATOM 1159 CG LEU A 76 -1.132 -9.394 0.639 1.00 0.55 C ATOM 1160 CD1 LEU A 76 0.259 -10.005 0.723 1.00 0.82 C ATOM 1161 CD2 LEU A 76 -1.065 -8.005 0.023 1.00 0.80 C ATOM 0 H LEU A 76 -3.676 -10.610 -2.026 1.00 0.33 H new ATOM 0 HA LEU A 76 -0.987 -9.837 -1.951 1.00 0.36 H new ATOM 0 HB2 LEU A 76 -3.055 -9.797 -0.225 1.00 0.43 H new ATOM 0 HB3 LEU A 76 -2.235 -11.218 0.390 1.00 0.43 H new ATOM 0 HG LEU A 76 -1.524 -9.310 1.653 1.00 0.55 H new ATOM 0 HD11 LEU A 76 0.911 -9.347 1.297 1.00 0.82 H new ATOM 0 HD12 LEU A 76 0.201 -10.976 1.214 1.00 0.82 H new ATOM 0 HD13 LEU A 76 0.663 -10.130 -0.282 1.00 0.82 H new ATOM 0 HD21 LEU A 76 -0.385 -7.382 0.604 1.00 0.80 H new ATOM 0 HD22 LEU A 76 -0.703 -8.079 -1.002 1.00 0.80 H new ATOM 0 HD23 LEU A 76 -2.059 -7.557 0.026 1.00 0.80 H new ATOM 1173 N THR A 77 -1.517 -13.065 -1.584 1.00 0.41 N ATOM 1174 CA THR A 77 -0.864 -14.367 -1.578 1.00 0.49 C ATOM 1175 C THR A 77 0.059 -14.512 -2.783 1.00 0.47 C ATOM 1176 O THR A 77 0.998 -15.309 -2.768 1.00 0.53 O ATOM 1177 CB THR A 77 -1.898 -15.511 -1.590 1.00 0.63 C ATOM 1178 OG1 THR A 77 -2.871 -15.302 -0.560 1.00 0.73 O ATOM 1179 CG2 THR A 77 -1.222 -16.858 -1.384 1.00 0.71 C ATOM 0 H THR A 77 -2.536 -13.104 -1.600 1.00 0.41 H new ATOM 0 HA THR A 77 -0.277 -14.432 -0.662 1.00 0.49 H new ATOM 0 HB THR A 77 -2.389 -15.514 -2.563 1.00 0.63 H new ATOM 0 HG1 THR A 77 -3.525 -16.032 -0.575 1.00 0.73 H new ATOM 0 HG21 THR A 77 -1.973 -17.648 -1.397 1.00 0.71 H new ATOM 0 HG22 THR A 77 -0.502 -17.030 -2.184 1.00 0.71 H new ATOM 0 HG23 THR A 77 -0.706 -16.863 -0.424 1.00 0.71 H new ATOM 1187 N ALA A 78 -0.214 -13.733 -3.824 1.00 0.45 N ATOM 1188 CA ALA A 78 0.591 -13.765 -5.038 1.00 0.52 C ATOM 1189 C ALA A 78 1.895 -12.996 -4.847 1.00 0.53 C ATOM 1190 O ALA A 78 2.909 -13.308 -5.472 1.00 0.67 O ATOM 1191 CB ALA A 78 -0.194 -13.194 -6.210 1.00 0.60 C ATOM 0 H ALA A 78 -0.989 -13.070 -3.851 1.00 0.45 H new ATOM 0 HA ALA A 78 0.838 -14.804 -5.255 1.00 0.52 H new ATOM 0 HB1 ALA A 78 0.421 -13.225 -7.109 1.00 0.60 H new ATOM 0 HB2 ALA A 78 -1.096 -13.786 -6.367 1.00 0.60 H new ATOM 0 HB3 ALA A 78 -0.470 -12.162 -5.995 1.00 0.60 H new ATOM 1197 N GLN A 79 1.860 -11.992 -3.976 1.00 0.47 N ATOM 1198 CA GLN A 79 3.038 -11.177 -3.697 1.00 0.53 C ATOM 1199 C GLN A 79 4.030 -11.942 -2.831 1.00 0.54 C ATOM 1200 O GLN A 79 5.184 -11.542 -2.688 1.00 1.06 O ATOM 1201 CB GLN A 79 2.639 -9.881 -2.990 1.00 0.56 C ATOM 1202 CG GLN A 79 1.494 -9.146 -3.661 1.00 0.96 C ATOM 1203 CD GLN A 79 1.335 -7.726 -3.154 1.00 1.23 C ATOM 1204 OE1 GLN A 79 0.927 -6.834 -3.897 1.00 2.20 O ATOM 1205 NE2 GLN A 79 1.652 -7.508 -1.882 1.00 0.61 N ATOM 0 H GLN A 79 1.028 -11.723 -3.451 1.00 0.47 H new ATOM 0 HA GLN A 79 3.510 -10.935 -4.649 1.00 0.53 H new ATOM 0 HB2 GLN A 79 2.359 -10.110 -1.962 1.00 0.56 H new ATOM 0 HB3 GLN A 79 3.505 -9.221 -2.945 1.00 0.56 H new ATOM 0 HG2 GLN A 79 1.661 -9.127 -4.738 1.00 0.96 H new ATOM 0 HG3 GLN A 79 0.567 -9.694 -3.492 1.00 0.96 H new ATOM 0 HE21 GLN A 79 1.987 -8.277 -1.301 1.00 0.61 H new ATOM 0 HE22 GLN A 79 1.561 -6.572 -1.487 1.00 0.61 H new ATOM 1214 N THR A 80 3.568 -13.042 -2.253 1.00 0.63 N ATOM 1215 CA THR A 80 4.407 -13.864 -1.393 1.00 0.65 C ATOM 1216 C THR A 80 4.777 -15.178 -2.075 1.00 0.64 C ATOM 1217 O THR A 80 5.346 -16.074 -1.450 1.00 0.73 O ATOM 1218 CB THR A 80 3.698 -14.170 -0.061 1.00 0.77 C ATOM 1219 OG1 THR A 80 2.511 -14.936 -0.302 1.00 1.31 O ATOM 1220 CG2 THR A 80 3.338 -12.884 0.669 1.00 0.44 C ATOM 0 H THR A 80 2.614 -13.386 -2.365 1.00 0.63 H new ATOM 0 HA THR A 80 5.317 -13.297 -1.195 1.00 0.65 H new ATOM 0 HB THR A 80 4.381 -14.745 0.564 1.00 0.77 H new ATOM 0 HG1 THR A 80 2.316 -14.944 -1.262 1.00 1.31 H new ATOM 0 HG21 THR A 80 2.838 -13.126 1.607 1.00 0.44 H new ATOM 0 HG22 THR A 80 4.246 -12.317 0.877 1.00 0.44 H new ATOM 0 HG23 THR A 80 2.672 -12.286 0.047 1.00 0.44 H new ATOM 1228 N LYS A 81 4.451 -15.287 -3.360 1.00 0.68 N ATOM 1229 CA LYS A 81 4.747 -16.496 -4.123 1.00 0.71 C ATOM 1230 C LYS A 81 5.483 -16.171 -5.418 1.00 0.69 C ATOM 1231 O LYS A 81 6.099 -17.046 -6.027 1.00 0.81 O ATOM 1232 CB LYS A 81 3.454 -17.253 -4.436 1.00 0.76 C ATOM 1233 CG LYS A 81 2.779 -17.834 -3.205 1.00 1.54 C ATOM 1234 CD LYS A 81 1.489 -18.550 -3.564 1.00 1.55 C ATOM 1235 CE LYS A 81 0.946 -19.341 -2.385 1.00 2.12 C ATOM 1236 NZ LYS A 81 1.894 -20.401 -1.942 1.00 3.02 N ATOM 0 H LYS A 81 3.983 -14.555 -3.894 1.00 0.68 H new ATOM 0 HA LYS A 81 5.396 -17.124 -3.513 1.00 0.71 H new ATOM 0 HB2 LYS A 81 2.760 -16.579 -4.937 1.00 0.76 H new ATOM 0 HB3 LYS A 81 3.675 -18.060 -5.135 1.00 0.76 H new ATOM 0 HG2 LYS A 81 3.457 -18.530 -2.711 1.00 1.54 H new ATOM 0 HG3 LYS A 81 2.568 -17.036 -2.494 1.00 1.54 H new ATOM 0 HD2 LYS A 81 0.746 -17.822 -3.889 1.00 1.55 H new ATOM 0 HD3 LYS A 81 1.666 -19.222 -4.404 1.00 1.55 H new ATOM 0 HE2 LYS A 81 0.746 -18.663 -1.555 1.00 2.12 H new ATOM 0 HE3 LYS A 81 -0.005 -19.797 -2.661 1.00 2.12 H new ATOM 0 HZ1 LYS A 81 1.386 -21.303 -1.845 1.00 3.02 H new ATOM 0 HZ2 LYS A 81 2.652 -20.505 -2.646 1.00 3.02 H new ATOM 0 HZ3 LYS A 81 2.307 -20.136 -1.025 1.00 3.02 H new ATOM 1250 N LYS A 82 5.420 -14.910 -5.836 1.00 0.66 N ATOM 1251 CA LYS A 82 6.083 -14.480 -7.062 1.00 0.74 C ATOM 1252 C LYS A 82 7.599 -14.519 -6.904 1.00 0.78 C ATOM 1253 O LYS A 82 8.116 -15.002 -5.897 1.00 0.83 O ATOM 1254 CB LYS A 82 5.643 -13.065 -7.442 1.00 0.72 C ATOM 1255 CG LYS A 82 6.053 -12.006 -6.430 1.00 0.67 C ATOM 1256 CD LYS A 82 5.907 -10.604 -6.999 1.00 0.77 C ATOM 1257 CE LYS A 82 4.453 -10.163 -7.043 1.00 0.76 C ATOM 1258 NZ LYS A 82 4.284 -8.873 -7.770 1.00 1.09 N ATOM 0 H LYS A 82 4.918 -14.170 -5.345 1.00 0.66 H new ATOM 0 HA LYS A 82 5.795 -15.170 -7.856 1.00 0.74 H new ATOM 0 HB2 LYS A 82 6.067 -12.810 -8.413 1.00 0.72 H new ATOM 0 HB3 LYS A 82 4.559 -13.048 -7.553 1.00 0.72 H new ATOM 0 HG2 LYS A 82 5.440 -12.101 -5.534 1.00 0.67 H new ATOM 0 HG3 LYS A 82 7.087 -12.171 -6.128 1.00 0.67 H new ATOM 0 HD2 LYS A 82 6.481 -9.904 -6.393 1.00 0.77 H new ATOM 0 HD3 LYS A 82 6.327 -10.574 -8.004 1.00 0.77 H new ATOM 0 HE2 LYS A 82 3.855 -10.934 -7.528 1.00 0.76 H new ATOM 0 HE3 LYS A 82 4.075 -10.059 -6.026 1.00 0.76 H new ATOM 0 HZ1 LYS A 82 3.278 -8.608 -7.777 1.00 1.09 H new ATOM 0 HZ2 LYS A 82 4.834 -8.131 -7.293 1.00 1.09 H new ATOM 0 HZ3 LYS A 82 4.621 -8.979 -8.748 1.00 1.09 H new ATOM 1272 N GLN A 83 8.306 -14.007 -7.908 1.00 0.87 N ATOM 1273 CA GLN A 83 9.762 -13.974 -7.875 1.00 0.96 C ATOM 1274 C GLN A 83 10.242 -12.966 -6.837 1.00 0.80 C ATOM 1275 O GLN A 83 10.421 -11.785 -7.137 1.00 0.80 O ATOM 1276 CB GLN A 83 10.319 -13.614 -9.254 1.00 1.22 C ATOM 1277 CG GLN A 83 9.782 -14.493 -10.372 1.00 1.37 C ATOM 1278 CD GLN A 83 10.407 -14.174 -11.717 1.00 1.96 C ATOM 1279 OE1 GLN A 83 11.430 -14.747 -12.091 1.00 2.49 O ATOM 1280 NE2 GLN A 83 9.791 -13.254 -12.452 1.00 2.57 N ATOM 0 H GLN A 83 7.893 -13.610 -8.752 1.00 0.87 H new ATOM 0 HA GLN A 83 10.125 -14.964 -7.600 1.00 0.96 H new ATOM 0 HB2 GLN A 83 10.080 -12.573 -9.474 1.00 1.22 H new ATOM 0 HB3 GLN A 83 11.406 -13.693 -9.230 1.00 1.22 H new ATOM 0 HG2 GLN A 83 9.968 -15.539 -10.128 1.00 1.37 H new ATOM 0 HG3 GLN A 83 8.701 -14.369 -10.439 1.00 1.37 H new ATOM 0 HE21 GLN A 83 8.945 -12.804 -12.102 1.00 2.57 H new ATOM 0 HE22 GLN A 83 10.164 -12.998 -13.366 1.00 2.57 H new ATOM 1289 N GLY A 84 10.441 -13.441 -5.611 1.00 0.98 N ATOM 1290 CA GLY A 84 10.883 -12.569 -4.541 1.00 1.14 C ATOM 1291 C GLY A 84 9.718 -11.984 -3.766 1.00 1.22 C ATOM 1292 O GLY A 84 9.438 -12.405 -2.643 1.00 2.05 O ATOM 0 H GLY A 84 10.304 -14.415 -5.341 1.00 0.98 H new ATOM 0 HA2 GLY A 84 11.527 -13.127 -3.861 1.00 1.14 H new ATOM 0 HA3 GLY A 84 11.484 -11.760 -4.957 1.00 1.14 H new ATOM 1296 N GLY A 85 9.037 -11.013 -4.370 1.00 0.69 N ATOM 1297 CA GLY A 85 7.902 -10.386 -3.722 1.00 0.69 C ATOM 1298 C GLY A 85 8.265 -9.758 -2.392 1.00 0.66 C ATOM 1299 O GLY A 85 9.377 -9.260 -2.216 1.00 0.91 O ATOM 0 H GLY A 85 9.253 -10.650 -5.298 1.00 0.69 H new ATOM 0 HA2 GLY A 85 7.489 -9.621 -4.380 1.00 0.69 H new ATOM 0 HA3 GLY A 85 7.120 -11.130 -3.567 1.00 0.69 H new ATOM 1303 N ILE A 86 7.327 -9.787 -1.453 1.00 0.49 N ATOM 1304 CA ILE A 86 7.551 -9.210 -0.136 1.00 0.48 C ATOM 1305 C ILE A 86 7.713 -10.294 0.924 1.00 0.50 C ATOM 1306 O ILE A 86 7.517 -11.479 0.650 1.00 0.53 O ATOM 1307 CB ILE A 86 6.392 -8.278 0.256 1.00 0.45 C ATOM 1308 CG1 ILE A 86 5.078 -9.060 0.314 1.00 0.43 C ATOM 1309 CG2 ILE A 86 6.292 -7.129 -0.739 1.00 0.50 C ATOM 1310 CD1 ILE A 86 3.906 -8.241 0.809 1.00 0.45 C ATOM 0 H ILE A 86 6.405 -10.204 -1.580 1.00 0.49 H new ATOM 0 HA ILE A 86 8.474 -8.632 -0.188 1.00 0.48 H new ATOM 0 HB ILE A 86 6.586 -7.865 1.246 1.00 0.45 H new ATOM 0 HG12 ILE A 86 4.849 -9.443 -0.681 1.00 0.43 H new ATOM 0 HG13 ILE A 86 5.208 -9.924 0.966 1.00 0.43 H new ATOM 0 HG21 ILE A 86 5.469 -6.473 -0.455 1.00 0.50 H new ATOM 0 HG22 ILE A 86 7.224 -6.564 -0.737 1.00 0.50 H new ATOM 0 HG23 ILE A 86 6.111 -7.527 -1.737 1.00 0.50 H new ATOM 0 HD11 ILE A 86 3.009 -8.861 0.823 1.00 0.45 H new ATOM 0 HD12 ILE A 86 4.114 -7.880 1.816 1.00 0.45 H new ATOM 0 HD13 ILE A 86 3.749 -7.391 0.144 1.00 0.45 H new ATOM 1322 N THR A 87 8.069 -9.880 2.136 1.00 0.52 N ATOM 1323 CA THR A 87 8.266 -10.815 3.238 1.00 0.57 C ATOM 1324 C THR A 87 6.962 -11.071 3.985 1.00 0.51 C ATOM 1325 O THR A 87 5.917 -10.520 3.638 1.00 0.48 O ATOM 1326 CB THR A 87 9.320 -10.296 4.234 1.00 0.64 C ATOM 1327 OG1 THR A 87 8.876 -9.070 4.826 1.00 1.18 O ATOM 1328 CG2 THR A 87 10.656 -10.071 3.539 1.00 1.27 C ATOM 0 H THR A 87 8.227 -8.902 2.380 1.00 0.52 H new ATOM 0 HA THR A 87 8.619 -11.748 2.799 1.00 0.57 H new ATOM 0 HB THR A 87 9.452 -11.048 5.012 1.00 0.64 H new ATOM 0 HG1 THR A 87 9.552 -8.749 5.459 1.00 1.18 H new ATOM 0 HG21 THR A 87 11.385 -9.705 4.262 1.00 1.27 H new ATOM 0 HG22 THR A 87 11.008 -11.011 3.114 1.00 1.27 H new ATOM 0 HG23 THR A 87 10.533 -9.336 2.743 1.00 1.27 H new ATOM 1336 N SER A 88 7.032 -11.911 5.013 1.00 0.56 N ATOM 1337 CA SER A 88 5.859 -12.241 5.813 1.00 0.53 C ATOM 1338 C SER A 88 5.393 -11.033 6.621 1.00 0.48 C ATOM 1339 O SER A 88 4.194 -10.807 6.782 1.00 0.48 O ATOM 1340 CB SER A 88 6.167 -13.409 6.752 1.00 0.62 C ATOM 1341 OG SER A 88 6.549 -14.564 6.023 1.00 1.53 O ATOM 0 H SER A 88 7.890 -12.376 5.311 1.00 0.56 H new ATOM 0 HA SER A 88 5.058 -12.532 5.133 1.00 0.53 H new ATOM 0 HB2 SER A 88 6.966 -13.127 7.438 1.00 0.62 H new ATOM 0 HB3 SER A 88 5.290 -13.632 7.359 1.00 0.62 H new ATOM 0 HG SER A 88 6.742 -15.295 6.646 1.00 1.53 H new ATOM 1347 N ASP A 89 6.350 -10.260 7.125 1.00 0.51 N ATOM 1348 CA ASP A 89 6.038 -9.074 7.914 1.00 0.51 C ATOM 1349 C ASP A 89 5.357 -8.016 7.052 1.00 0.44 C ATOM 1350 O ASP A 89 4.437 -7.332 7.502 1.00 0.45 O ATOM 1351 CB ASP A 89 7.310 -8.501 8.539 1.00 0.59 C ATOM 1352 CG ASP A 89 7.033 -7.284 9.400 1.00 1.48 C ATOM 1353 OD1 ASP A 89 6.755 -7.460 10.604 1.00 1.85 O ATOM 1354 OD2 ASP A 89 7.092 -6.156 8.868 1.00 2.34 O ATOM 0 H ASP A 89 7.347 -10.434 7.001 1.00 0.51 H new ATOM 0 HA ASP A 89 5.353 -9.365 8.710 1.00 0.51 H new ATOM 0 HB2 ASP A 89 7.792 -9.269 9.144 1.00 0.59 H new ATOM 0 HB3 ASP A 89 8.011 -8.232 7.749 1.00 0.59 H new ATOM 1359 N GLN A 90 5.813 -7.889 5.810 1.00 0.44 N ATOM 1360 CA GLN A 90 5.245 -6.918 4.882 1.00 0.42 C ATOM 1361 C GLN A 90 3.889 -7.388 4.369 1.00 0.39 C ATOM 1362 O GLN A 90 2.997 -6.580 4.115 1.00 0.52 O ATOM 1363 CB GLN A 90 6.198 -6.680 3.707 1.00 0.49 C ATOM 1364 CG GLN A 90 7.330 -5.717 4.031 1.00 0.59 C ATOM 1365 CD GLN A 90 8.116 -5.295 2.803 1.00 0.75 C ATOM 1366 OE1 GLN A 90 8.639 -4.182 2.740 1.00 1.63 O ATOM 1367 NE2 GLN A 90 8.206 -6.184 1.819 1.00 0.91 N ATOM 0 H GLN A 90 6.574 -8.447 5.423 1.00 0.44 H new ATOM 0 HA GLN A 90 5.105 -5.979 5.418 1.00 0.42 H new ATOM 0 HB2 GLN A 90 6.622 -7.634 3.394 1.00 0.49 H new ATOM 0 HB3 GLN A 90 5.630 -6.290 2.862 1.00 0.49 H new ATOM 0 HG2 GLN A 90 6.919 -4.831 4.515 1.00 0.59 H new ATOM 0 HG3 GLN A 90 8.006 -6.186 4.745 1.00 0.59 H new ATOM 0 HE21 GLN A 90 7.757 -7.095 1.912 1.00 0.91 H new ATOM 0 HE22 GLN A 90 8.724 -5.955 0.971 1.00 0.91 H new ATOM 1376 N ALA A 91 3.740 -8.700 4.226 1.00 0.37 N ATOM 1377 CA ALA A 91 2.496 -9.282 3.740 1.00 0.37 C ATOM 1378 C ALA A 91 1.431 -9.304 4.831 1.00 0.34 C ATOM 1379 O ALA A 91 0.240 -9.412 4.544 1.00 0.40 O ATOM 1380 CB ALA A 91 2.746 -10.689 3.219 1.00 0.45 C ATOM 0 H ALA A 91 4.468 -9.382 4.441 1.00 0.37 H new ATOM 0 HA ALA A 91 2.127 -8.659 2.925 1.00 0.37 H new ATOM 0 HB1 ALA A 91 1.810 -11.115 2.858 1.00 0.45 H new ATOM 0 HB2 ALA A 91 3.467 -10.652 2.402 1.00 0.45 H new ATOM 0 HB3 ALA A 91 3.141 -11.310 4.023 1.00 0.45 H new ATOM 1386 N ALA A 92 1.868 -9.200 6.081 1.00 0.31 N ATOM 1387 CA ALA A 92 0.954 -9.218 7.217 1.00 0.33 C ATOM 1388 C ALA A 92 0.162 -7.920 7.335 1.00 0.28 C ATOM 1389 O ALA A 92 -1.003 -7.938 7.725 1.00 0.34 O ATOM 1390 CB ALA A 92 1.722 -9.482 8.502 1.00 0.40 C ATOM 0 H ALA A 92 2.851 -9.102 6.334 1.00 0.31 H new ATOM 0 HA ALA A 92 0.239 -10.023 7.049 1.00 0.33 H new ATOM 0 HB1 ALA A 92 1.030 -9.493 9.344 1.00 0.40 H new ATOM 0 HB2 ALA A 92 2.226 -10.446 8.433 1.00 0.40 H new ATOM 0 HB3 ALA A 92 2.462 -8.696 8.652 1.00 0.40 H new ATOM 1396 N VAL A 93 0.792 -6.798 7.000 1.00 0.26 N ATOM 1397 CA VAL A 93 0.128 -5.501 7.099 1.00 0.30 C ATOM 1398 C VAL A 93 -0.668 -5.156 5.838 1.00 0.28 C ATOM 1399 O VAL A 93 -1.758 -4.591 5.925 1.00 0.35 O ATOM 1400 CB VAL A 93 1.142 -4.373 7.419 1.00 0.41 C ATOM 1401 CG1 VAL A 93 1.394 -3.472 6.215 1.00 0.43 C ATOM 1402 CG2 VAL A 93 0.660 -3.563 8.611 1.00 0.55 C ATOM 0 H VAL A 93 1.753 -6.759 6.660 1.00 0.26 H new ATOM 0 HA VAL A 93 -0.581 -5.579 7.924 1.00 0.30 H new ATOM 0 HB VAL A 93 2.094 -4.841 7.669 1.00 0.41 H new ATOM 0 HG11 VAL A 93 2.110 -2.696 6.485 1.00 0.43 H new ATOM 0 HG12 VAL A 93 1.795 -4.066 5.394 1.00 0.43 H new ATOM 0 HG13 VAL A 93 0.457 -3.009 5.905 1.00 0.43 H new ATOM 0 HG21 VAL A 93 1.379 -2.773 8.829 1.00 0.55 H new ATOM 0 HG22 VAL A 93 -0.309 -3.119 8.382 1.00 0.55 H new ATOM 0 HG23 VAL A 93 0.564 -4.215 9.479 1.00 0.55 H new ATOM 1412 N ILE A 94 -0.127 -5.494 4.670 1.00 0.24 N ATOM 1413 CA ILE A 94 -0.800 -5.195 3.408 1.00 0.25 C ATOM 1414 C ILE A 94 -2.030 -6.073 3.208 1.00 0.25 C ATOM 1415 O ILE A 94 -3.036 -5.615 2.680 1.00 0.28 O ATOM 1416 CB ILE A 94 0.148 -5.357 2.205 1.00 0.30 C ATOM 1417 CG1 ILE A 94 1.451 -4.603 2.461 1.00 0.40 C ATOM 1418 CG2 ILE A 94 -0.517 -4.848 0.933 1.00 0.31 C ATOM 1419 CD1 ILE A 94 2.534 -4.897 1.445 1.00 0.52 C ATOM 0 H ILE A 94 0.769 -5.972 4.571 1.00 0.24 H new ATOM 0 HA ILE A 94 -1.117 -4.154 3.465 1.00 0.25 H new ATOM 0 HB ILE A 94 0.374 -6.416 2.076 1.00 0.30 H new ATOM 0 HG12 ILE A 94 1.247 -3.532 2.462 1.00 0.40 H new ATOM 0 HG13 ILE A 94 1.819 -4.858 3.455 1.00 0.40 H new ATOM 0 HG21 ILE A 94 0.166 -4.969 0.092 1.00 0.31 H new ATOM 0 HG22 ILE A 94 -1.428 -5.417 0.746 1.00 0.31 H new ATOM 0 HG23 ILE A 94 -0.765 -3.793 1.049 1.00 0.31 H new ATOM 0 HD11 ILE A 94 3.429 -4.326 1.692 1.00 0.52 H new ATOM 0 HD12 ILE A 94 2.767 -5.962 1.460 1.00 0.52 H new ATOM 0 HD13 ILE A 94 2.187 -4.615 0.451 1.00 0.52 H new ATOM 1431 N SER A 95 -1.946 -7.331 3.628 1.00 0.27 N ATOM 1432 CA SER A 95 -3.071 -8.261 3.501 1.00 0.34 C ATOM 1433 C SER A 95 -4.299 -7.735 4.243 1.00 0.39 C ATOM 1434 O SER A 95 -5.413 -8.221 4.050 1.00 0.47 O ATOM 1435 CB SER A 95 -2.691 -9.639 4.043 1.00 0.40 C ATOM 1436 OG SER A 95 -3.770 -10.549 3.925 1.00 0.49 O ATOM 0 H SER A 95 -1.114 -7.733 4.059 1.00 0.27 H new ATOM 0 HA SER A 95 -3.314 -8.350 2.442 1.00 0.34 H new ATOM 0 HB2 SER A 95 -1.827 -10.022 3.499 1.00 0.40 H new ATOM 0 HB3 SER A 95 -2.396 -9.553 5.089 1.00 0.40 H new ATOM 0 HG SER A 95 -3.501 -11.423 4.277 1.00 0.49 H new ATOM 1442 N LYS A 96 -4.076 -6.751 5.103 1.00 0.38 N ATOM 1443 CA LYS A 96 -5.143 -6.148 5.894 1.00 0.46 C ATOM 1444 C LYS A 96 -5.844 -5.028 5.127 1.00 0.45 C ATOM 1445 O LYS A 96 -6.748 -4.376 5.650 1.00 0.53 O ATOM 1446 CB LYS A 96 -4.565 -5.611 7.204 1.00 0.50 C ATOM 1447 CG LYS A 96 -3.615 -6.582 7.876 1.00 0.57 C ATOM 1448 CD LYS A 96 -2.862 -5.932 9.024 1.00 0.80 C ATOM 1449 CE LYS A 96 -3.777 -5.638 10.203 1.00 1.32 C ATOM 1450 NZ LYS A 96 -3.054 -4.951 11.308 1.00 2.12 N ATOM 0 H LYS A 96 -3.154 -6.348 5.273 1.00 0.38 H new ATOM 0 HA LYS A 96 -5.887 -6.915 6.109 1.00 0.46 H new ATOM 0 HB2 LYS A 96 -4.040 -4.676 7.007 1.00 0.50 H new ATOM 0 HB3 LYS A 96 -5.382 -5.380 7.887 1.00 0.50 H new ATOM 0 HG2 LYS A 96 -4.175 -7.440 8.248 1.00 0.57 H new ATOM 0 HG3 LYS A 96 -2.903 -6.960 7.142 1.00 0.57 H new ATOM 0 HD2 LYS A 96 -2.053 -6.588 9.346 1.00 0.80 H new ATOM 0 HD3 LYS A 96 -2.403 -5.005 8.680 1.00 0.80 H new ATOM 0 HE2 LYS A 96 -4.608 -5.016 9.871 1.00 1.32 H new ATOM 0 HE3 LYS A 96 -4.204 -6.570 10.573 1.00 1.32 H new ATOM 0 HZ1 LYS A 96 -3.712 -4.768 12.092 1.00 2.12 H new ATOM 0 HZ2 LYS A 96 -2.276 -5.555 11.642 1.00 2.12 H new ATOM 0 HZ3 LYS A 96 -2.668 -4.049 10.962 1.00 2.12 H new ATOM 1464 N PHE A 97 -5.409 -4.812 3.889 1.00 0.39 N ATOM 1465 CA PHE A 97 -5.960 -3.760 3.031 1.00 0.40 C ATOM 1466 C PHE A 97 -7.495 -3.692 3.035 1.00 0.48 C ATOM 1467 O PHE A 97 -8.056 -2.672 2.635 1.00 0.56 O ATOM 1468 CB PHE A 97 -5.445 -3.898 1.584 1.00 0.37 C ATOM 1469 CG PHE A 97 -5.291 -5.311 1.066 1.00 0.37 C ATOM 1470 CD1 PHE A 97 -5.940 -6.383 1.661 1.00 0.43 C ATOM 1471 CD2 PHE A 97 -4.474 -5.562 -0.028 1.00 0.42 C ATOM 1472 CE1 PHE A 97 -5.778 -7.668 1.178 1.00 0.50 C ATOM 1473 CE2 PHE A 97 -4.310 -6.846 -0.514 1.00 0.50 C ATOM 1474 CZ PHE A 97 -4.962 -7.899 0.092 1.00 0.53 C ATOM 0 H PHE A 97 -4.667 -5.358 3.451 1.00 0.39 H new ATOM 0 HA PHE A 97 -5.605 -2.823 3.461 1.00 0.40 H new ATOM 0 HB2 PHE A 97 -6.128 -3.363 0.924 1.00 0.37 H new ATOM 0 HB3 PHE A 97 -4.478 -3.399 1.515 1.00 0.37 H new ATOM 0 HD1 PHE A 97 -6.581 -6.211 2.513 1.00 0.43 H new ATOM 0 HD2 PHE A 97 -3.959 -4.742 -0.507 1.00 0.42 H new ATOM 0 HE1 PHE A 97 -6.291 -8.491 1.652 1.00 0.50 H new ATOM 0 HE2 PHE A 97 -3.672 -7.024 -1.367 1.00 0.50 H new ATOM 0 HZ PHE A 97 -4.833 -8.903 -0.284 1.00 0.53 H new ATOM 1484 N TRP A 98 -8.188 -4.748 3.474 1.00 0.52 N ATOM 1485 CA TRP A 98 -9.655 -4.706 3.492 1.00 0.63 C ATOM 1486 C TRP A 98 -10.258 -5.274 4.776 1.00 0.69 C ATOM 1487 O TRP A 98 -11.453 -5.103 5.022 1.00 0.78 O ATOM 1488 CB TRP A 98 -10.257 -5.419 2.271 1.00 0.67 C ATOM 1489 CG TRP A 98 -9.831 -6.850 2.093 1.00 0.66 C ATOM 1490 CD1 TRP A 98 -9.010 -7.333 1.117 1.00 0.74 C ATOM 1491 CD2 TRP A 98 -10.229 -7.984 2.880 1.00 0.72 C ATOM 1492 NE1 TRP A 98 -8.847 -8.689 1.263 1.00 0.85 N ATOM 1493 CE2 TRP A 98 -9.587 -9.114 2.335 1.00 0.83 C ATOM 1494 CE3 TRP A 98 -11.053 -8.156 3.995 1.00 0.78 C ATOM 1495 CZ2 TRP A 98 -9.745 -10.391 2.867 1.00 0.97 C ATOM 1496 CZ3 TRP A 98 -11.210 -9.425 4.521 1.00 0.92 C ATOM 1497 CH2 TRP A 98 -10.558 -10.528 3.958 1.00 1.00 C ATOM 0 H TRP A 98 -7.774 -5.617 3.812 1.00 0.52 H new ATOM 0 HA TRP A 98 -9.916 -3.648 3.451 1.00 0.63 H new ATOM 0 HB2 TRP A 98 -11.344 -5.387 2.350 1.00 0.67 H new ATOM 0 HB3 TRP A 98 -9.986 -4.861 1.374 1.00 0.67 H new ATOM 0 HD1 TRP A 98 -8.554 -6.736 0.341 1.00 0.74 H new ATOM 0 HE1 TRP A 98 -8.269 -9.283 0.669 1.00 0.85 H new ATOM 0 HE3 TRP A 98 -11.559 -7.311 4.439 1.00 0.78 H new ATOM 0 HZ2 TRP A 98 -9.243 -11.243 2.433 1.00 0.97 H new ATOM 0 HZ3 TRP A 98 -11.847 -9.568 5.381 1.00 0.92 H new ATOM 0 HH2 TRP A 98 -10.700 -11.506 4.394 1.00 1.00 H new ATOM 1508 N LYS A 99 -9.454 -5.944 5.594 1.00 0.75 N ATOM 1509 CA LYS A 99 -9.962 -6.523 6.833 1.00 0.91 C ATOM 1510 C LYS A 99 -10.338 -5.433 7.832 1.00 1.11 C ATOM 1511 O LYS A 99 -11.176 -5.643 8.710 1.00 1.33 O ATOM 1512 CB LYS A 99 -8.928 -7.472 7.442 1.00 0.90 C ATOM 1513 CG LYS A 99 -7.663 -6.782 7.942 1.00 0.87 C ATOM 1514 CD LYS A 99 -7.792 -6.309 9.385 1.00 1.38 C ATOM 1515 CE LYS A 99 -8.085 -7.465 10.324 1.00 1.51 C ATOM 1516 NZ LYS A 99 -8.317 -7.003 11.721 1.00 1.67 N ATOM 0 H LYS A 99 -8.460 -6.099 5.425 1.00 0.75 H new ATOM 0 HA LYS A 99 -10.862 -7.091 6.597 1.00 0.91 H new ATOM 0 HB2 LYS A 99 -9.388 -8.008 8.272 1.00 0.90 H new ATOM 0 HB3 LYS A 99 -8.651 -8.217 6.696 1.00 0.90 H new ATOM 0 HG2 LYS A 99 -6.821 -7.470 7.862 1.00 0.87 H new ATOM 0 HG3 LYS A 99 -7.440 -5.929 7.301 1.00 0.87 H new ATOM 0 HD2 LYS A 99 -6.870 -5.815 9.691 1.00 1.38 H new ATOM 0 HD3 LYS A 99 -8.589 -5.569 9.457 1.00 1.38 H new ATOM 0 HE2 LYS A 99 -8.963 -8.006 9.970 1.00 1.51 H new ATOM 0 HE3 LYS A 99 -7.251 -8.166 10.308 1.00 1.51 H new ATOM 0 HZ1 LYS A 99 -8.514 -7.823 12.330 1.00 1.67 H new ATOM 0 HZ2 LYS A 99 -7.470 -6.509 12.068 1.00 1.67 H new ATOM 0 HZ3 LYS A 99 -9.129 -6.354 11.742 1.00 1.67 H new ATOM 1530 N SER A 100 -9.717 -4.267 7.692 1.00 1.14 N ATOM 1531 CA SER A 100 -9.979 -3.144 8.584 1.00 1.47 C ATOM 1532 C SER A 100 -11.432 -2.683 8.483 1.00 1.74 C ATOM 1533 O SER A 100 -11.923 -1.965 9.354 1.00 2.07 O ATOM 1534 CB SER A 100 -9.041 -1.981 8.256 1.00 1.57 C ATOM 1535 OG SER A 100 -9.278 -0.877 9.111 1.00 2.19 O ATOM 0 H SER A 100 -9.026 -4.075 6.967 1.00 1.14 H new ATOM 0 HA SER A 100 -9.798 -3.478 9.606 1.00 1.47 H new ATOM 0 HB2 SER A 100 -8.005 -2.306 8.356 1.00 1.57 H new ATOM 0 HB3 SER A 100 -9.182 -1.678 7.218 1.00 1.57 H new ATOM 0 HG SER A 100 -10.149 -0.983 9.548 1.00 2.19 H new ATOM 1541 N HIS A 101 -12.111 -3.099 7.420 1.00 1.68 N ATOM 1542 CA HIS A 101 -13.504 -2.717 7.209 1.00 2.03 C ATOM 1543 C HIS A 101 -14.400 -3.944 7.062 1.00 2.09 C ATOM 1544 O HIS A 101 -15.613 -3.863 7.255 1.00 2.46 O ATOM 1545 CB HIS A 101 -13.621 -1.833 5.964 1.00 2.13 C ATOM 1546 CG HIS A 101 -14.993 -1.276 5.744 1.00 2.57 C ATOM 1547 ND1 HIS A 101 -15.913 -1.854 4.895 1.00 3.26 N ATOM 1548 CD2 HIS A 101 -15.600 -0.182 6.264 1.00 3.02 C ATOM 1549 CE1 HIS A 101 -17.024 -1.139 4.900 1.00 3.83 C ATOM 1550 NE2 HIS A 101 -16.861 -0.120 5.723 1.00 3.65 N ATOM 0 H HIS A 101 -11.722 -3.699 6.693 1.00 1.68 H new ATOM 0 HA HIS A 101 -13.837 -2.158 8.084 1.00 2.03 H new ATOM 0 HB2 HIS A 101 -12.914 -1.008 6.048 1.00 2.13 H new ATOM 0 HB3 HIS A 101 -13.331 -2.414 5.089 1.00 2.13 H new ATOM 0 HD2 HIS A 101 -15.172 0.512 6.972 1.00 3.02 H new ATOM 0 HE1 HIS A 101 -17.915 -1.352 4.328 1.00 3.83 H new ATOM 0 HE2 HIS A 101 -17.558 0.597 5.924 1.00 3.65 H new ATOM 1559 N LYS A 102 -13.798 -5.081 6.722 1.00 1.89 N ATOM 1560 CA LYS A 102 -14.547 -6.316 6.545 1.00 2.04 C ATOM 1561 C LYS A 102 -14.182 -7.345 7.612 1.00 2.27 C ATOM 1562 O LYS A 102 -13.488 -8.324 7.333 1.00 2.71 O ATOM 1563 CB LYS A 102 -14.278 -6.889 5.156 1.00 2.00 C ATOM 1564 CG LYS A 102 -14.672 -5.956 4.020 1.00 2.32 C ATOM 1565 CD LYS A 102 -16.171 -5.708 3.991 1.00 2.80 C ATOM 1566 CE LYS A 102 -16.556 -4.768 2.859 1.00 3.44 C ATOM 1567 NZ LYS A 102 -18.022 -4.506 2.828 1.00 4.27 N ATOM 0 H LYS A 102 -12.794 -5.170 6.564 1.00 1.89 H new ATOM 0 HA LYS A 102 -15.608 -6.087 6.647 1.00 2.04 H new ATOM 0 HB2 LYS A 102 -13.217 -7.124 5.069 1.00 2.00 H new ATOM 0 HB3 LYS A 102 -14.822 -7.827 5.049 1.00 2.00 H new ATOM 0 HG2 LYS A 102 -14.148 -5.007 4.130 1.00 2.32 H new ATOM 0 HG3 LYS A 102 -14.356 -6.386 3.070 1.00 2.32 H new ATOM 0 HD2 LYS A 102 -16.696 -6.656 3.873 1.00 2.80 H new ATOM 0 HD3 LYS A 102 -16.490 -5.283 4.943 1.00 2.80 H new ATOM 0 HE2 LYS A 102 -16.021 -3.825 2.973 1.00 3.44 H new ATOM 0 HE3 LYS A 102 -16.244 -5.199 1.908 1.00 3.44 H new ATOM 0 HZ1 LYS A 102 -18.285 -4.112 1.902 1.00 4.27 H new ATOM 0 HZ2 LYS A 102 -18.537 -5.396 2.984 1.00 4.27 H new ATOM 0 HZ3 LYS A 102 -18.269 -3.827 3.576 1.00 4.27 H new ATOM 1581 N THR A 103 -14.656 -7.118 8.835 1.00 2.56 N ATOM 1582 CA THR A 103 -14.386 -8.022 9.950 1.00 2.99 C ATOM 1583 C THR A 103 -15.471 -7.920 11.015 1.00 3.33 C ATOM 1584 O THR A 103 -16.216 -8.870 11.251 1.00 3.84 O ATOM 1585 CB THR A 103 -13.023 -7.729 10.608 1.00 3.28 C ATOM 1586 OG1 THR A 103 -12.828 -6.316 10.728 1.00 3.44 O ATOM 1587 CG2 THR A 103 -11.885 -8.339 9.804 1.00 3.09 C ATOM 0 H THR A 103 -15.231 -6.312 9.079 1.00 2.56 H new ATOM 0 HA THR A 103 -14.371 -9.029 9.533 1.00 2.99 H new ATOM 0 HB THR A 103 -13.023 -8.180 11.600 1.00 3.28 H new ATOM 0 HG1 THR A 103 -12.060 -6.044 10.184 1.00 3.44 H new ATOM 0 HG21 THR A 103 -10.936 -8.117 10.291 1.00 3.09 H new ATOM 0 HG22 THR A 103 -12.019 -9.419 9.746 1.00 3.09 H new ATOM 0 HG23 THR A 103 -11.884 -7.919 8.798 1.00 3.09 H new ATOM 1595 N LYS A 104 -15.549 -6.759 11.656 1.00 3.34 N ATOM 1596 CA LYS A 104 -16.537 -6.525 12.702 1.00 3.66 C ATOM 1597 C LYS A 104 -17.231 -5.183 12.499 1.00 3.59 C ATOM 1598 O LYS A 104 -17.980 -4.721 13.360 1.00 3.95 O ATOM 1599 CB LYS A 104 -15.863 -6.574 14.074 1.00 3.99 C ATOM 1600 CG LYS A 104 -15.196 -7.907 14.370 1.00 4.36 C ATOM 1601 CD LYS A 104 -14.123 -7.775 15.440 1.00 4.62 C ATOM 1602 CE LYS A 104 -14.726 -7.512 16.811 1.00 5.31 C ATOM 1603 NZ LYS A 104 -13.681 -7.409 17.866 1.00 5.72 N ATOM 0 H LYS A 104 -14.938 -5.964 11.469 1.00 3.34 H new ATOM 0 HA LYS A 104 -17.293 -7.309 12.649 1.00 3.66 H new ATOM 0 HB2 LYS A 104 -15.117 -5.782 14.133 1.00 3.99 H new ATOM 0 HB3 LYS A 104 -16.607 -6.369 14.844 1.00 3.99 H new ATOM 0 HG2 LYS A 104 -15.948 -8.626 14.696 1.00 4.36 H new ATOM 0 HG3 LYS A 104 -14.752 -8.302 13.456 1.00 4.36 H new ATOM 0 HD2 LYS A 104 -13.528 -8.688 15.473 1.00 4.62 H new ATOM 0 HD3 LYS A 104 -13.446 -6.962 15.178 1.00 4.62 H new ATOM 0 HE2 LYS A 104 -15.305 -6.589 16.782 1.00 5.31 H new ATOM 0 HE3 LYS A 104 -15.419 -8.315 17.063 1.00 5.31 H new ATOM 0 HZ1 LYS A 104 -14.133 -7.230 18.786 1.00 5.72 H new ATOM 0 HZ2 LYS A 104 -13.145 -8.299 17.911 1.00 5.72 H new ATOM 0 HZ3 LYS A 104 -13.035 -6.626 17.639 1.00 5.72 H new ATOM 1617 N ILE A 105 -16.977 -4.563 11.350 1.00 3.22 N ATOM 1618 CA ILE A 105 -17.576 -3.274 11.024 1.00 3.25 C ATOM 1619 C ILE A 105 -18.905 -3.459 10.299 1.00 3.33 C ATOM 1620 O ILE A 105 -19.885 -2.774 10.596 1.00 3.64 O ATOM 1621 CB ILE A 105 -16.639 -2.416 10.148 1.00 3.14 C ATOM 1622 CG1 ILE A 105 -15.345 -2.083 10.900 1.00 3.41 C ATOM 1623 CG2 ILE A 105 -17.343 -1.139 9.722 1.00 3.22 C ATOM 1624 CD1 ILE A 105 -14.362 -3.232 10.971 1.00 3.54 C ATOM 0 H ILE A 105 -16.359 -4.934 10.628 1.00 3.22 H new ATOM 0 HA ILE A 105 -17.745 -2.756 11.968 1.00 3.25 H new ATOM 0 HB ILE A 105 -16.380 -2.990 9.258 1.00 3.14 H new ATOM 0 HG12 ILE A 105 -14.862 -1.235 10.414 1.00 3.41 H new ATOM 0 HG13 ILE A 105 -15.596 -1.770 11.913 1.00 3.41 H new ATOM 0 HG21 ILE A 105 -16.672 -0.542 9.105 1.00 3.22 H new ATOM 0 HG22 ILE A 105 -18.236 -1.389 9.150 1.00 3.22 H new ATOM 0 HG23 ILE A 105 -17.627 -0.568 10.606 1.00 3.22 H new ATOM 0 HD11 ILE A 105 -13.473 -2.917 11.518 1.00 3.54 H new ATOM 0 HD12 ILE A 105 -14.824 -4.075 11.484 1.00 3.54 H new ATOM 0 HD13 ILE A 105 -14.079 -3.532 9.962 1.00 3.54 H new ATOM 1636 N ARG A 106 -18.933 -4.390 9.350 1.00 3.23 N ATOM 1637 CA ARG A 106 -20.144 -4.664 8.584 1.00 3.52 C ATOM 1638 C ARG A 106 -20.720 -6.028 8.952 1.00 3.99 C ATOM 1639 O ARG A 106 -21.924 -6.166 9.164 1.00 4.49 O ATOM 1640 CB ARG A 106 -19.848 -4.608 7.084 1.00 3.66 C ATOM 1641 CG ARG A 106 -19.179 -3.315 6.639 1.00 4.02 C ATOM 1642 CD ARG A 106 -20.075 -2.107 6.874 1.00 4.54 C ATOM 1643 NE ARG A 106 -21.326 -2.200 6.127 1.00 4.89 N ATOM 1644 CZ ARG A 106 -22.301 -1.301 6.208 1.00 5.64 C ATOM 1645 NH1 ARG A 106 -22.170 -0.241 6.997 1.00 6.13 N ATOM 1646 NH2 ARG A 106 -23.411 -1.459 5.500 1.00 6.18 N ATOM 0 H ARG A 106 -18.132 -4.967 9.093 1.00 3.23 H new ATOM 0 HA ARG A 106 -20.882 -3.900 8.828 1.00 3.52 H new ATOM 0 HB2 ARG A 106 -19.207 -5.448 6.818 1.00 3.66 H new ATOM 0 HB3 ARG A 106 -20.781 -4.732 6.534 1.00 3.66 H new ATOM 0 HG2 ARG A 106 -18.243 -3.184 7.181 1.00 4.02 H new ATOM 0 HG3 ARG A 106 -18.928 -3.381 5.580 1.00 4.02 H new ATOM 0 HD2 ARG A 106 -20.294 -2.020 7.938 1.00 4.54 H new ATOM 0 HD3 ARG A 106 -19.545 -1.200 6.582 1.00 4.54 H new ATOM 0 HE ARG A 106 -21.459 -3.000 5.508 1.00 4.89 H new ATOM 0 HH11 ARG A 106 -21.318 -0.114 7.544 1.00 6.13 H new ATOM 0 HH12 ARG A 106 -22.921 0.447 7.056 1.00 6.13 H new ATOM 0 HH21 ARG A 106 -23.517 -2.271 4.892 1.00 6.18 H new ATOM 0 HH22 ARG A 106 -24.159 -0.768 5.563 1.00 6.18 H new ATOM 1660 N GLU A 107 -19.847 -7.031 9.021 1.00 4.18 N ATOM 1661 CA GLU A 107 -20.254 -8.390 9.367 1.00 5.05 C ATOM 1662 C GLU A 107 -21.298 -8.918 8.383 1.00 5.51 C ATOM 1663 O GLU A 107 -21.976 -9.909 8.656 1.00 5.80 O ATOM 1664 CB GLU A 107 -20.808 -8.430 10.795 1.00 5.50 C ATOM 1665 CG GLU A 107 -20.868 -9.829 11.389 1.00 6.10 C ATOM 1666 CD GLU A 107 -21.527 -9.856 12.754 1.00 6.86 C ATOM 1667 OE1 GLU A 107 -20.819 -9.640 13.759 1.00 7.22 O ATOM 1668 OE2 GLU A 107 -22.753 -10.091 12.818 1.00 7.31 O ATOM 0 H GLU A 107 -18.849 -6.926 8.841 1.00 4.18 H new ATOM 0 HA GLU A 107 -19.375 -9.032 9.308 1.00 5.05 H new ATOM 0 HB2 GLU A 107 -20.188 -7.800 11.433 1.00 5.50 H new ATOM 0 HB3 GLU A 107 -21.810 -8.000 10.799 1.00 5.50 H new ATOM 0 HG2 GLU A 107 -21.417 -10.484 10.712 1.00 6.10 H new ATOM 0 HG3 GLU A 107 -19.857 -10.229 11.470 1.00 6.10 H new ATOM 1675 N SER A 108 -21.413 -8.255 7.236 1.00 5.97 N ATOM 1676 CA SER A 108 -22.371 -8.653 6.208 1.00 6.78 C ATOM 1677 C SER A 108 -23.796 -8.656 6.758 1.00 7.58 C ATOM 1678 O SER A 108 -24.249 -9.722 7.226 1.00 8.07 O ATOM 1679 CB SER A 108 -22.020 -10.037 5.658 1.00 7.25 C ATOM 1680 OG SER A 108 -22.940 -10.435 4.654 1.00 7.76 O ATOM 0 H SER A 108 -20.853 -7.437 6.994 1.00 5.97 H new ATOM 0 HA SER A 108 -22.316 -7.925 5.399 1.00 6.78 H new ATOM 0 HB2 SER A 108 -21.011 -10.023 5.246 1.00 7.25 H new ATOM 0 HB3 SER A 108 -22.024 -10.766 6.469 1.00 7.25 H new ATOM 0 HG SER A 108 -22.693 -11.322 4.317 1.00 7.76 H new TER 1686 SER A 108