USER MOD reduce.3.24.130724 H: found=0, std=0, add=581, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 580 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 10 MET CE :methyl 172:sc= 0 (180deg=-0.111) USER MOD Set 1.2: A 61 GLN :FLIP amide:sc= -0.0237 F(o=-2.6,f=-0.024) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 SER OG : rot -77:sc= 0.478 USER MOD Single : A 5 GLN : amide:sc= -1.09 K(o=-1.1,f=-5.2!) USER MOD Single : A 6 LYS NZ :NH3+ 165:sc= -0.0037 (180deg=-0.205) USER MOD Single : A 11 GLN : amide:sc= 0.832 K(o=0.83,f=-0.036) USER MOD Single : A 13 SER OG : rot 20:sc= 0.967 USER MOD Single : A 15 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0.111 USER MOD Single : A 26 LYS NZ :NH3+ -153:sc= 0.901 (180deg=0.253) USER MOD Single : A 29 LYS NZ :NH3+ -175:sc= 1.33 (180deg=1.03) USER MOD Single : A 31 MET CE :methyl -160:sc= -0.32 (180deg=-0.666) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 ASN : amide:sc= -0.144 X(o=-0.14,f=-0.042) USER MOD Single : A 40 ASN : amide:sc= -0.0545 K(o=-0.054,f=-2.4) USER MOD Single : A 43 THR OG1 : rot -43:sc= 0.964 USER MOD Single : A 45 THR OG1 : rot 180:sc= -0.121 USER MOD Single : A 47 ASN : amide:sc= 0.703 K(o=0.7,f=0) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 THR OG1 : rot 78:sc= 0.97 USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 TYR OH : rot -30:sc= -0.323 USER MOD Single : A 70 HIS : no HE2:sc= -1.08 K(o=-1.1,f=-1.6) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -4.404 18.565 15.807 1.00 6.06 N ATOM 2 CA MET A 1 -3.342 18.411 16.815 1.00 4.78 C ATOM 3 C MET A 1 -2.006 18.243 16.101 1.00 2.96 C ATOM 4 O MET A 1 -1.407 19.245 15.725 1.00 3.07 O ATOM 5 CB MET A 1 -3.634 17.267 17.799 1.00 5.74 C ATOM 6 CG MET A 1 -4.539 17.713 18.953 1.00 7.25 C ATOM 7 SD MET A 1 -4.887 16.399 20.148 1.00 8.82 S ATOM 8 CE MET A 1 -5.716 17.354 21.436 1.00 10.10 C ATOM 0 H1 MET A 1 -5.321 18.680 16.284 1.00 6.06 H new ATOM 0 H2 MET A 1 -4.209 19.403 15.223 1.00 6.06 H new ATOM 0 H3 MET A 1 -4.433 17.720 15.201 1.00 6.06 H new ATOM 0 HA MET A 1 -3.300 19.310 17.430 1.00 4.78 H new ATOM 0 HB2 MET A 1 -4.108 16.443 17.265 1.00 5.74 H new ATOM 0 HB3 MET A 1 -2.695 16.888 18.202 1.00 5.74 H new ATOM 0 HG2 MET A 1 -4.068 18.549 19.471 1.00 7.25 H new ATOM 0 HG3 MET A 1 -5.480 18.080 18.545 1.00 7.25 H new ATOM 0 HE1 MET A 1 -6.000 16.692 22.254 1.00 10.10 H new ATOM 0 HE2 MET A 1 -5.041 18.124 21.810 1.00 10.10 H new ATOM 0 HE3 MET A 1 -6.609 17.824 21.023 1.00 10.10 H new ATOM 20 N LEU A 2 -1.567 17.003 15.882 1.00 2.36 N ATOM 21 CA LEU A 2 -0.271 16.698 15.305 1.00 1.29 C ATOM 22 C LEU A 2 -0.437 15.375 14.565 1.00 1.28 C ATOM 23 O LEU A 2 -1.109 14.485 15.083 1.00 2.33 O ATOM 24 CB LEU A 2 0.763 16.624 16.444 1.00 2.93 C ATOM 25 CG LEU A 2 2.202 16.951 16.011 1.00 4.05 C ATOM 26 CD1 LEU A 2 2.974 17.513 17.211 1.00 5.25 C ATOM 27 CD2 LEU A 2 2.939 15.717 15.485 1.00 5.61 C ATOM 0 H LEU A 2 -2.116 16.173 16.107 1.00 2.36 H new ATOM 0 HA LEU A 2 0.084 17.455 14.605 1.00 1.29 H new ATOM 0 HB2 LEU A 2 0.467 17.315 17.234 1.00 2.93 H new ATOM 0 HB3 LEU A 2 0.743 15.622 16.873 1.00 2.93 H new ATOM 0 HG LEU A 2 2.147 17.682 15.204 1.00 4.05 H new ATOM 0 HD11 LEU A 2 3.995 17.747 16.910 1.00 5.25 H new ATOM 0 HD12 LEU A 2 2.484 18.420 17.567 1.00 5.25 H new ATOM 0 HD13 LEU A 2 2.992 16.773 18.011 1.00 5.25 H new ATOM 0 HD21 LEU A 2 3.951 15.995 15.191 1.00 5.61 H new ATOM 0 HD22 LEU A 2 2.984 14.959 16.267 1.00 5.61 H new ATOM 0 HD23 LEU A 2 2.408 15.316 14.622 1.00 5.61 H new ATOM 39 N SER A 3 0.123 15.285 13.358 1.00 0.57 N ATOM 40 CA SER A 3 0.082 14.109 12.508 1.00 0.45 C ATOM 41 C SER A 3 1.513 13.800 12.096 1.00 0.47 C ATOM 42 O SER A 3 2.053 14.456 11.206 1.00 0.72 O ATOM 43 CB SER A 3 -0.796 14.389 11.284 1.00 0.57 C ATOM 44 OG SER A 3 -2.150 14.350 11.679 1.00 0.68 O ATOM 0 H SER A 3 0.634 16.060 12.936 1.00 0.57 H new ATOM 0 HA SER A 3 -0.347 13.255 13.032 1.00 0.45 H new ATOM 0 HB2 SER A 3 -0.554 15.364 10.861 1.00 0.57 H new ATOM 0 HB3 SER A 3 -0.608 13.648 10.507 1.00 0.57 H new ATOM 0 HG SER A 3 -2.432 13.418 11.787 1.00 0.68 H new ATOM 50 N GLU A 4 2.138 12.845 12.783 1.00 0.43 N ATOM 51 CA GLU A 4 3.437 12.322 12.418 1.00 0.46 C ATOM 52 C GLU A 4 3.331 11.571 11.090 1.00 0.43 C ATOM 53 O GLU A 4 2.254 11.465 10.513 1.00 0.54 O ATOM 54 CB GLU A 4 3.911 11.434 13.561 1.00 0.62 C ATOM 55 CG GLU A 4 4.366 12.250 14.758 1.00 1.03 C ATOM 56 CD GLU A 4 4.350 11.439 16.046 1.00 2.00 C ATOM 57 OE1 GLU A 4 5.264 10.601 16.196 1.00 2.13 O ATOM 58 OE2 GLU A 4 3.417 11.670 16.843 1.00 3.46 O ATOM 0 H GLU A 4 1.744 12.412 13.619 1.00 0.43 H new ATOM 0 HA GLU A 4 4.168 13.117 12.268 1.00 0.46 H new ATOM 0 HB2 GLU A 4 3.103 10.767 13.862 1.00 0.62 H new ATOM 0 HB3 GLU A 4 4.732 10.805 13.216 1.00 0.62 H new ATOM 0 HG2 GLU A 4 5.374 12.624 14.579 1.00 1.03 H new ATOM 0 HG3 GLU A 4 3.719 13.120 14.870 1.00 1.03 H new ATOM 65 N GLN A 5 4.455 11.057 10.590 1.00 0.50 N ATOM 66 CA GLN A 5 4.505 10.209 9.413 1.00 0.46 C ATOM 67 C GLN A 5 5.427 9.030 9.708 1.00 0.55 C ATOM 68 O GLN A 5 6.358 9.162 10.501 1.00 0.78 O ATOM 69 CB GLN A 5 5.051 11.017 8.233 1.00 0.54 C ATOM 70 CG GLN A 5 4.093 12.127 7.781 1.00 0.56 C ATOM 71 CD GLN A 5 3.061 11.695 6.742 1.00 0.51 C ATOM 72 OE1 GLN A 5 2.471 12.546 6.090 1.00 0.94 O ATOM 73 NE2 GLN A 5 2.837 10.399 6.536 1.00 0.58 N ATOM 0 H GLN A 5 5.371 11.226 11.005 1.00 0.50 H new ATOM 0 HA GLN A 5 3.509 9.844 9.162 1.00 0.46 H new ATOM 0 HB2 GLN A 5 6.007 11.460 8.513 1.00 0.54 H new ATOM 0 HB3 GLN A 5 5.243 10.346 7.396 1.00 0.54 H new ATOM 0 HG2 GLN A 5 3.569 12.514 8.655 1.00 0.56 H new ATOM 0 HG3 GLN A 5 4.679 12.949 7.371 1.00 0.56 H new ATOM 0 HE21 GLN A 5 3.336 9.701 7.087 1.00 0.58 H new ATOM 0 HE22 GLN A 5 2.166 10.104 5.827 1.00 0.58 H new ATOM 82 N LYS A 6 5.164 7.891 9.067 1.00 0.44 N ATOM 83 CA LYS A 6 6.090 6.782 8.951 1.00 0.51 C ATOM 84 C LYS A 6 5.993 6.213 7.543 1.00 0.34 C ATOM 85 O LYS A 6 4.997 6.424 6.846 1.00 0.26 O ATOM 86 CB LYS A 6 5.763 5.683 9.968 1.00 0.74 C ATOM 87 CG LYS A 6 6.266 5.989 11.382 1.00 1.18 C ATOM 88 CD LYS A 6 7.805 5.972 11.423 1.00 1.07 C ATOM 89 CE LYS A 6 8.363 5.877 12.848 1.00 1.81 C ATOM 90 NZ LYS A 6 8.037 4.589 13.495 1.00 2.87 N ATOM 0 H LYS A 6 4.272 7.717 8.603 1.00 0.44 H new ATOM 0 HA LYS A 6 7.099 7.141 9.151 1.00 0.51 H new ATOM 0 HB2 LYS A 6 4.683 5.537 9.999 1.00 0.74 H new ATOM 0 HB3 LYS A 6 6.202 4.744 9.630 1.00 0.74 H new ATOM 0 HG2 LYS A 6 5.899 6.964 11.702 1.00 1.18 H new ATOM 0 HG3 LYS A 6 5.870 5.254 12.082 1.00 1.18 H new ATOM 0 HD2 LYS A 6 8.170 5.127 10.838 1.00 1.07 H new ATOM 0 HD3 LYS A 6 8.186 6.876 10.949 1.00 1.07 H new ATOM 0 HE2 LYS A 6 9.445 6.003 12.821 1.00 1.81 H new ATOM 0 HE3 LYS A 6 7.962 6.694 13.448 1.00 1.81 H new ATOM 0 HZ1 LYS A 6 8.634 4.463 14.337 1.00 2.87 H new ATOM 0 HZ2 LYS A 6 7.036 4.585 13.776 1.00 2.87 H new ATOM 0 HZ3 LYS A 6 8.212 3.811 12.827 1.00 2.87 H new ATOM 104 N GLU A 7 7.031 5.456 7.189 1.00 0.46 N ATOM 105 CA GLU A 7 7.257 4.832 5.906 1.00 0.40 C ATOM 106 C GLU A 7 7.407 3.346 6.185 1.00 0.41 C ATOM 107 O GLU A 7 8.476 2.879 6.574 1.00 0.62 O ATOM 108 CB GLU A 7 8.528 5.373 5.230 1.00 0.41 C ATOM 109 CG GLU A 7 8.739 6.888 5.358 1.00 0.54 C ATOM 110 CD GLU A 7 9.118 7.327 6.772 1.00 0.90 C ATOM 111 OE1 GLU A 7 9.926 6.611 7.401 1.00 0.84 O ATOM 112 OE2 GLU A 7 8.535 8.333 7.227 1.00 2.39 O ATOM 0 H GLU A 7 7.785 5.254 7.846 1.00 0.46 H new ATOM 0 HA GLU A 7 6.431 5.041 5.226 1.00 0.40 H new ATOM 0 HB2 GLU A 7 9.392 4.864 5.657 1.00 0.41 H new ATOM 0 HB3 GLU A 7 8.496 5.114 4.172 1.00 0.41 H new ATOM 0 HG2 GLU A 7 9.522 7.199 4.666 1.00 0.54 H new ATOM 0 HG3 GLU A 7 7.826 7.402 5.058 1.00 0.54 H new ATOM 119 N ILE A 8 6.328 2.589 6.034 1.00 0.38 N ATOM 120 CA ILE A 8 6.380 1.169 6.240 1.00 0.38 C ATOM 121 C ILE A 8 6.893 0.545 4.940 1.00 0.31 C ATOM 122 O ILE A 8 6.931 1.215 3.907 1.00 0.27 O ATOM 123 CB ILE A 8 4.986 0.719 6.664 1.00 0.47 C ATOM 124 CG1 ILE A 8 4.331 1.557 7.768 1.00 1.13 C ATOM 125 CG2 ILE A 8 4.974 -0.757 7.010 1.00 1.00 C ATOM 126 CD1 ILE A 8 5.233 1.627 8.980 1.00 2.11 C ATOM 0 H ILE A 8 5.410 2.946 5.769 1.00 0.38 H new ATOM 0 HA ILE A 8 7.060 0.852 7.031 1.00 0.38 H new ATOM 0 HB ILE A 8 4.360 0.891 5.788 1.00 0.47 H new ATOM 0 HG12 ILE A 8 4.128 2.562 7.399 1.00 1.13 H new ATOM 0 HG13 ILE A 8 3.372 1.120 8.045 1.00 1.13 H new ATOM 0 HG21 ILE A 8 3.968 -1.052 7.309 1.00 1.00 H new ATOM 0 HG22 ILE A 8 5.279 -1.337 6.139 1.00 1.00 H new ATOM 0 HG23 ILE A 8 5.666 -0.944 7.831 1.00 1.00 H new ATOM 0 HD11 ILE A 8 4.755 2.225 9.755 1.00 2.11 H new ATOM 0 HD12 ILE A 8 5.414 0.621 9.358 1.00 2.11 H new ATOM 0 HD13 ILE A 8 6.182 2.086 8.701 1.00 2.11 H new ATOM 138 N ALA A 9 7.327 -0.714 4.999 1.00 0.33 N ATOM 139 CA ALA A 9 7.837 -1.478 3.873 1.00 0.29 C ATOM 140 C ALA A 9 7.272 -2.891 3.981 1.00 0.38 C ATOM 141 O ALA A 9 7.448 -3.518 5.023 1.00 0.55 O ATOM 142 CB ALA A 9 9.369 -1.507 3.922 1.00 0.28 C ATOM 0 H ALA A 9 7.331 -1.246 5.869 1.00 0.33 H new ATOM 0 HA ALA A 9 7.537 -1.026 2.927 1.00 0.29 H new ATOM 0 HB1 ALA A 9 9.749 -2.080 3.077 1.00 0.28 H new ATOM 0 HB2 ALA A 9 9.754 -0.488 3.872 1.00 0.28 H new ATOM 0 HB3 ALA A 9 9.695 -1.973 4.852 1.00 0.28 H new ATOM 148 N MET A 10 6.574 -3.387 2.954 1.00 0.32 N ATOM 149 CA MET A 10 6.022 -4.742 2.941 1.00 0.38 C ATOM 150 C MET A 10 6.345 -5.425 1.608 1.00 0.35 C ATOM 151 O MET A 10 6.745 -4.758 0.651 1.00 0.31 O ATOM 152 CB MET A 10 4.502 -4.698 3.165 1.00 0.67 C ATOM 153 CG MET A 10 4.060 -4.182 4.540 1.00 1.15 C ATOM 154 SD MET A 10 2.649 -3.042 4.476 1.00 1.48 S ATOM 155 CE MET A 10 1.714 -3.574 5.926 1.00 2.85 C ATOM 0 H MET A 10 6.376 -2.856 2.106 1.00 0.32 H new ATOM 0 HA MET A 10 6.475 -5.317 3.749 1.00 0.38 H new ATOM 0 HB2 MET A 10 4.056 -4.066 2.397 1.00 0.67 H new ATOM 0 HB3 MET A 10 4.101 -5.702 3.025 1.00 0.67 H new ATOM 0 HG2 MET A 10 3.800 -5.032 5.170 1.00 1.15 H new ATOM 0 HG3 MET A 10 4.901 -3.678 5.016 1.00 1.15 H new ATOM 0 HE1 MET A 10 0.894 -2.879 6.105 1.00 2.85 H new ATOM 0 HE2 MET A 10 1.313 -4.573 5.754 1.00 2.85 H new ATOM 0 HE3 MET A 10 2.371 -3.592 6.796 1.00 2.85 H new ATOM 165 N GLN A 11 6.155 -6.747 1.550 1.00 0.48 N ATOM 166 CA GLN A 11 6.188 -7.535 0.322 1.00 0.48 C ATOM 167 C GLN A 11 4.814 -7.484 -0.351 1.00 0.48 C ATOM 168 O GLN A 11 3.840 -7.049 0.264 1.00 0.50 O ATOM 169 CB GLN A 11 6.582 -8.986 0.654 1.00 0.50 C ATOM 170 CG GLN A 11 7.930 -9.433 0.080 1.00 1.07 C ATOM 171 CD GLN A 11 7.704 -10.155 -1.244 1.00 1.88 C ATOM 172 OE1 GLN A 11 7.556 -11.371 -1.278 1.00 3.67 O ATOM 173 NE2 GLN A 11 7.620 -9.415 -2.340 1.00 1.19 N ATOM 0 H GLN A 11 5.969 -7.310 2.380 1.00 0.48 H new ATOM 0 HA GLN A 11 6.928 -7.124 -0.365 1.00 0.48 H new ATOM 0 HB2 GLN A 11 6.608 -9.102 1.738 1.00 0.50 H new ATOM 0 HB3 GLN A 11 5.805 -9.653 0.281 1.00 0.50 H new ATOM 0 HG2 GLN A 11 8.578 -8.569 -0.070 1.00 1.07 H new ATOM 0 HG3 GLN A 11 8.437 -10.093 0.784 1.00 1.07 H new ATOM 0 HE21 GLN A 11 7.747 -8.405 -2.284 1.00 1.19 H new ATOM 0 HE22 GLN A 11 7.428 -9.856 -3.240 1.00 1.19 H new ATOM 182 N VAL A 12 4.732 -7.945 -1.602 1.00 0.55 N ATOM 183 CA VAL A 12 3.531 -7.883 -2.431 1.00 0.58 C ATOM 184 C VAL A 12 3.182 -9.290 -2.928 1.00 0.52 C ATOM 185 O VAL A 12 4.086 -10.088 -3.174 1.00 0.58 O ATOM 186 CB VAL A 12 3.798 -6.923 -3.604 1.00 0.80 C ATOM 187 CG1 VAL A 12 2.526 -6.716 -4.431 1.00 1.30 C ATOM 188 CG2 VAL A 12 4.274 -5.555 -3.097 1.00 1.11 C ATOM 0 H VAL A 12 5.522 -8.383 -2.076 1.00 0.55 H new ATOM 0 HA VAL A 12 2.682 -7.511 -1.857 1.00 0.58 H new ATOM 0 HB VAL A 12 4.574 -7.374 -4.222 1.00 0.80 H new ATOM 0 HG11 VAL A 12 2.735 -6.034 -5.255 1.00 1.30 H new ATOM 0 HG12 VAL A 12 2.190 -7.674 -4.828 1.00 1.30 H new ATOM 0 HG13 VAL A 12 1.746 -6.292 -3.799 1.00 1.30 H new ATOM 0 HG21 VAL A 12 4.456 -4.896 -3.946 1.00 1.11 H new ATOM 0 HG22 VAL A 12 3.509 -5.118 -2.455 1.00 1.11 H new ATOM 0 HG23 VAL A 12 5.196 -5.678 -2.529 1.00 1.11 H new ATOM 198 N SER A 13 1.892 -9.615 -3.080 1.00 0.49 N ATOM 199 CA SER A 13 1.432 -10.861 -3.684 1.00 0.49 C ATOM 200 C SER A 13 0.028 -10.684 -4.271 1.00 0.50 C ATOM 201 O SER A 13 -0.617 -9.658 -4.062 1.00 0.63 O ATOM 202 CB SER A 13 1.461 -11.976 -2.631 1.00 0.77 C ATOM 203 OG SER A 13 2.789 -12.430 -2.453 1.00 1.32 O ATOM 0 H SER A 13 1.130 -9.006 -2.780 1.00 0.49 H new ATOM 0 HA SER A 13 2.096 -11.138 -4.503 1.00 0.49 H new ATOM 0 HB2 SER A 13 1.063 -11.607 -1.686 1.00 0.77 H new ATOM 0 HB3 SER A 13 0.823 -12.802 -2.945 1.00 0.77 H new ATOM 0 HG SER A 13 3.414 -11.748 -2.777 1.00 1.32 H new ATOM 209 N GLY A 14 -0.433 -11.699 -5.014 1.00 0.60 N ATOM 210 CA GLY A 14 -1.757 -11.722 -5.620 1.00 0.87 C ATOM 211 C GLY A 14 -1.890 -10.610 -6.655 1.00 1.07 C ATOM 212 O GLY A 14 -2.599 -9.633 -6.428 1.00 1.88 O ATOM 0 H GLY A 14 0.117 -12.536 -5.210 1.00 0.60 H new ATOM 0 HA2 GLY A 14 -1.931 -12.689 -6.092 1.00 0.87 H new ATOM 0 HA3 GLY A 14 -2.518 -11.602 -4.849 1.00 0.87 H new ATOM 216 N MET A 15 -1.190 -10.749 -7.787 1.00 1.21 N ATOM 217 CA MET A 15 -1.057 -9.680 -8.761 1.00 1.35 C ATOM 218 C MET A 15 -0.823 -10.234 -10.164 1.00 1.43 C ATOM 219 O MET A 15 -0.327 -11.350 -10.313 1.00 1.48 O ATOM 220 CB MET A 15 0.099 -8.769 -8.328 1.00 1.33 C ATOM 221 CG MET A 15 1.488 -9.399 -8.495 1.00 1.30 C ATOM 222 SD MET A 15 2.325 -8.893 -10.020 1.00 1.94 S ATOM 223 CE MET A 15 3.151 -10.430 -10.477 1.00 2.73 C ATOM 0 H MET A 15 -0.704 -11.608 -8.045 1.00 1.21 H new ATOM 0 HA MET A 15 -1.983 -9.106 -8.799 1.00 1.35 H new ATOM 0 HB2 MET A 15 0.058 -7.847 -8.908 1.00 1.33 H new ATOM 0 HB3 MET A 15 -0.041 -8.495 -7.282 1.00 1.33 H new ATOM 0 HG2 MET A 15 2.108 -9.127 -7.641 1.00 1.30 H new ATOM 0 HG3 MET A 15 1.391 -10.485 -8.485 1.00 1.30 H new ATOM 0 HE1 MET A 15 3.711 -10.281 -11.400 1.00 2.73 H new ATOM 0 HE2 MET A 15 3.834 -10.726 -9.681 1.00 2.73 H new ATOM 0 HE3 MET A 15 2.407 -11.212 -10.626 1.00 2.73 H new ATOM 233 N THR A 16 -1.163 -9.434 -11.175 1.00 1.55 N ATOM 234 CA THR A 16 -0.811 -9.648 -12.567 1.00 1.67 C ATOM 235 C THR A 16 0.527 -8.973 -12.864 1.00 1.17 C ATOM 236 O THR A 16 1.467 -9.641 -13.287 1.00 1.48 O ATOM 237 CB THR A 16 -1.910 -9.044 -13.449 1.00 2.25 C ATOM 238 OG1 THR A 16 -2.478 -7.936 -12.769 1.00 2.36 O ATOM 239 CG2 THR A 16 -3.001 -10.074 -13.761 1.00 3.27 C ATOM 0 H THR A 16 -1.713 -8.587 -11.034 1.00 1.55 H new ATOM 0 HA THR A 16 -0.720 -10.715 -12.772 1.00 1.67 H new ATOM 0 HB THR A 16 -1.470 -8.727 -14.395 1.00 2.25 H new ATOM 0 HG1 THR A 16 -3.182 -7.538 -13.323 1.00 2.36 H new ATOM 0 HG21 THR A 16 -3.766 -9.615 -14.388 1.00 3.27 H new ATOM 0 HG22 THR A 16 -2.561 -10.922 -14.286 1.00 3.27 H new ATOM 0 HG23 THR A 16 -3.453 -10.418 -12.831 1.00 3.27 H new ATOM 247 N CYS A 17 0.591 -7.645 -12.693 1.00 0.95 N ATOM 248 CA CYS A 17 1.697 -6.842 -13.187 1.00 1.30 C ATOM 249 C CYS A 17 2.057 -5.685 -12.252 1.00 1.48 C ATOM 250 O CYS A 17 1.241 -5.217 -11.449 1.00 2.44 O ATOM 251 CB CYS A 17 1.345 -6.330 -14.590 1.00 1.46 C ATOM 252 SG CYS A 17 0.002 -5.106 -14.535 1.00 1.65 S ATOM 0 H CYS A 17 -0.126 -7.106 -12.208 1.00 0.95 H new ATOM 0 HA CYS A 17 2.585 -7.473 -13.230 1.00 1.30 H new ATOM 0 HB2 CYS A 17 2.228 -5.883 -15.047 1.00 1.46 H new ATOM 0 HB3 CYS A 17 1.049 -7.168 -15.221 1.00 1.46 H new ATOM 257 N ALA A 18 3.278 -5.172 -12.431 1.00 1.16 N ATOM 258 CA ALA A 18 3.819 -4.012 -11.733 1.00 1.20 C ATOM 259 C ALA A 18 3.213 -2.704 -12.262 1.00 0.95 C ATOM 260 O ALA A 18 3.933 -1.738 -12.499 1.00 1.65 O ATOM 261 CB ALA A 18 5.344 -4.017 -11.894 1.00 1.66 C ATOM 0 H ALA A 18 3.940 -5.574 -13.095 1.00 1.16 H new ATOM 0 HA ALA A 18 3.559 -4.072 -10.676 1.00 1.20 H new ATOM 0 HB1 ALA A 18 5.767 -3.155 -11.378 1.00 1.66 H new ATOM 0 HB2 ALA A 18 5.752 -4.933 -11.466 1.00 1.66 H new ATOM 0 HB3 ALA A 18 5.598 -3.966 -12.953 1.00 1.66 H new ATOM 267 N ALA A 19 1.891 -2.668 -12.442 1.00 0.71 N ATOM 268 CA ALA A 19 1.148 -1.497 -12.892 1.00 0.54 C ATOM 269 C ALA A 19 -0.132 -1.387 -12.071 1.00 0.46 C ATOM 270 O ALA A 19 -0.398 -0.349 -11.468 1.00 0.50 O ATOM 271 CB ALA A 19 0.869 -1.569 -14.395 1.00 0.63 C ATOM 0 H ALA A 19 1.294 -3.478 -12.273 1.00 0.71 H new ATOM 0 HA ALA A 19 1.741 -0.596 -12.736 1.00 0.54 H new ATOM 0 HB1 ALA A 19 0.314 -0.684 -14.705 1.00 0.63 H new ATOM 0 HB2 ALA A 19 1.813 -1.614 -14.939 1.00 0.63 H new ATOM 0 HB3 ALA A 19 0.282 -2.461 -14.614 1.00 0.63 H new ATOM 277 N CYS A 20 -0.893 -2.478 -11.955 1.00 0.44 N ATOM 278 CA CYS A 20 -1.950 -2.556 -10.955 1.00 0.42 C ATOM 279 C CYS A 20 -1.403 -2.242 -9.563 1.00 0.32 C ATOM 280 O CYS A 20 -2.035 -1.532 -8.780 1.00 0.35 O ATOM 281 CB CYS A 20 -2.583 -3.949 -10.987 1.00 0.53 C ATOM 282 SG CYS A 20 -3.308 -4.265 -12.618 1.00 1.21 S ATOM 0 H CYS A 20 -0.795 -3.310 -12.537 1.00 0.44 H new ATOM 0 HA CYS A 20 -2.714 -1.814 -11.187 1.00 0.42 H new ATOM 0 HB2 CYS A 20 -1.830 -4.705 -10.762 1.00 0.53 H new ATOM 0 HB3 CYS A 20 -3.351 -4.026 -10.218 1.00 0.53 H new ATOM 287 N ALA A 21 -0.190 -2.731 -9.303 1.00 0.29 N ATOM 288 CA ALA A 21 0.607 -2.404 -8.134 1.00 0.35 C ATOM 289 C ALA A 21 0.630 -0.895 -7.844 1.00 0.30 C ATOM 290 O ALA A 21 0.673 -0.482 -6.691 1.00 0.32 O ATOM 291 CB ALA A 21 2.016 -2.952 -8.375 1.00 0.66 C ATOM 0 H ALA A 21 0.276 -3.389 -9.927 1.00 0.29 H new ATOM 0 HA ALA A 21 0.165 -2.860 -7.248 1.00 0.35 H new ATOM 0 HB1 ALA A 21 2.647 -2.725 -7.515 1.00 0.66 H new ATOM 0 HB2 ALA A 21 1.967 -4.032 -8.514 1.00 0.66 H new ATOM 0 HB3 ALA A 21 2.439 -2.490 -9.267 1.00 0.66 H new ATOM 297 N ALA A 22 0.620 -0.049 -8.879 1.00 0.31 N ATOM 298 CA ALA A 22 0.526 1.390 -8.715 1.00 0.34 C ATOM 299 C ALA A 22 -0.880 1.763 -8.262 1.00 0.29 C ATOM 300 O ALA A 22 -1.048 2.458 -7.260 1.00 0.26 O ATOM 301 CB ALA A 22 0.877 2.091 -10.029 1.00 0.41 C ATOM 0 H ALA A 22 0.677 -0.351 -9.852 1.00 0.31 H new ATOM 0 HA ALA A 22 1.235 1.716 -7.954 1.00 0.34 H new ATOM 0 HB1 ALA A 22 0.804 3.170 -9.896 1.00 0.41 H new ATOM 0 HB2 ALA A 22 1.894 1.829 -10.321 1.00 0.41 H new ATOM 0 HB3 ALA A 22 0.183 1.773 -10.807 1.00 0.41 H new ATOM 307 N ARG A 23 -1.886 1.323 -9.027 1.00 0.33 N ATOM 308 CA ARG A 23 -3.283 1.664 -8.794 1.00 0.31 C ATOM 309 C ARG A 23 -3.648 1.443 -7.332 1.00 0.27 C ATOM 310 O ARG A 23 -4.207 2.343 -6.700 1.00 0.27 O ATOM 311 CB ARG A 23 -4.228 0.833 -9.672 1.00 0.38 C ATOM 312 CG ARG A 23 -4.042 1.093 -11.169 1.00 0.63 C ATOM 313 CD ARG A 23 -5.127 0.389 -11.998 1.00 1.75 C ATOM 314 NE ARG A 23 -5.042 -1.084 -11.920 1.00 3.06 N ATOM 315 CZ ARG A 23 -5.765 -1.899 -11.130 1.00 4.66 C ATOM 316 NH1 ARG A 23 -6.618 -1.399 -10.229 1.00 5.42 N ATOM 317 NH2 ARG A 23 -5.629 -3.222 -11.239 1.00 6.23 N ATOM 0 H ARG A 23 -1.745 0.714 -9.833 1.00 0.33 H new ATOM 0 HA ARG A 23 -3.401 2.716 -9.054 1.00 0.31 H new ATOM 0 HB2 ARG A 23 -4.065 -0.226 -9.470 1.00 0.38 H new ATOM 0 HB3 ARG A 23 -5.259 1.055 -9.396 1.00 0.38 H new ATOM 0 HG2 ARG A 23 -4.074 2.166 -11.361 1.00 0.63 H new ATOM 0 HG3 ARG A 23 -3.058 0.743 -11.481 1.00 0.63 H new ATOM 0 HD2 ARG A 23 -6.109 0.711 -11.651 1.00 1.75 H new ATOM 0 HD3 ARG A 23 -5.040 0.699 -13.039 1.00 1.75 H new ATOM 0 HE ARG A 23 -4.360 -1.532 -12.532 1.00 3.06 H new ATOM 0 HH11 ARG A 23 -6.726 -0.389 -10.135 1.00 5.42 H new ATOM 0 HH12 ARG A 23 -7.160 -2.028 -9.636 1.00 5.42 H new ATOM 0 HH21 ARG A 23 -4.978 -3.613 -11.920 1.00 6.23 H new ATOM 0 HH22 ARG A 23 -6.176 -3.842 -10.641 1.00 6.23 H new ATOM 331 N ILE A 24 -3.329 0.254 -6.808 1.00 0.30 N ATOM 332 CA ILE A 24 -3.657 -0.056 -5.424 1.00 0.30 C ATOM 333 C ILE A 24 -3.082 1.017 -4.502 1.00 0.28 C ATOM 334 O ILE A 24 -3.826 1.644 -3.755 1.00 0.29 O ATOM 335 CB ILE A 24 -3.312 -1.497 -5.019 1.00 0.34 C ATOM 336 CG1 ILE A 24 -1.803 -1.657 -4.856 1.00 0.39 C ATOM 337 CG2 ILE A 24 -3.906 -2.482 -6.030 1.00 0.46 C ATOM 338 CD1 ILE A 24 -1.291 -3.086 -4.723 1.00 0.44 C ATOM 0 H ILE A 24 -2.853 -0.492 -7.315 1.00 0.30 H new ATOM 0 HA ILE A 24 -4.741 -0.026 -5.315 1.00 0.30 H new ATOM 0 HB ILE A 24 -3.758 -1.722 -4.050 1.00 0.34 H new ATOM 0 HG12 ILE A 24 -1.314 -1.196 -5.714 1.00 0.39 H new ATOM 0 HG13 ILE A 24 -1.492 -1.098 -3.974 1.00 0.39 H new ATOM 0 HG21 ILE A 24 -3.656 -3.501 -5.735 1.00 0.46 H new ATOM 0 HG22 ILE A 24 -4.990 -2.367 -6.057 1.00 0.46 H new ATOM 0 HG23 ILE A 24 -3.495 -2.280 -7.019 1.00 0.46 H new ATOM 0 HD11 ILE A 24 -0.207 -3.075 -4.613 1.00 0.44 H new ATOM 0 HD12 ILE A 24 -1.740 -3.553 -3.847 1.00 0.44 H new ATOM 0 HD13 ILE A 24 -1.560 -3.653 -5.614 1.00 0.44 H new ATOM 350 N GLU A 25 -1.783 1.292 -4.627 1.00 0.31 N ATOM 351 CA GLU A 25 -1.087 2.285 -3.835 1.00 0.30 C ATOM 352 C GLU A 25 -1.741 3.658 -3.962 1.00 0.25 C ATOM 353 O GLU A 25 -1.817 4.398 -2.986 1.00 0.23 O ATOM 354 CB GLU A 25 0.407 2.307 -4.218 1.00 0.36 C ATOM 355 CG GLU A 25 1.291 1.958 -3.014 1.00 0.53 C ATOM 356 CD GLU A 25 0.892 0.645 -2.362 1.00 0.97 C ATOM 357 OE1 GLU A 25 0.739 -0.335 -3.122 1.00 1.89 O ATOM 358 OE2 GLU A 25 0.732 0.658 -1.124 1.00 2.16 O ATOM 0 H GLU A 25 -1.180 0.816 -5.298 1.00 0.31 H new ATOM 0 HA GLU A 25 -1.158 2.011 -2.782 1.00 0.30 H new ATOM 0 HB2 GLU A 25 0.589 1.597 -5.025 1.00 0.36 H new ATOM 0 HB3 GLU A 25 0.674 3.294 -4.595 1.00 0.36 H new ATOM 0 HG2 GLU A 25 2.331 1.899 -3.335 1.00 0.53 H new ATOM 0 HG3 GLU A 25 1.230 2.759 -2.278 1.00 0.53 H new ATOM 365 N LYS A 26 -2.187 4.044 -5.158 1.00 0.33 N ATOM 366 CA LYS A 26 -2.746 5.379 -5.348 1.00 0.37 C ATOM 367 C LYS A 26 -4.139 5.498 -4.725 1.00 0.38 C ATOM 368 O LYS A 26 -4.421 6.468 -4.022 1.00 0.47 O ATOM 369 CB LYS A 26 -2.672 5.836 -6.810 1.00 0.46 C ATOM 370 CG LYS A 26 -1.271 5.743 -7.443 1.00 0.60 C ATOM 371 CD LYS A 26 -0.119 6.072 -6.478 1.00 1.02 C ATOM 372 CE LYS A 26 1.253 5.915 -7.152 1.00 0.77 C ATOM 373 NZ LYS A 26 2.320 5.591 -6.178 1.00 1.92 N ATOM 0 H LYS A 26 -2.172 3.461 -5.995 1.00 0.33 H new ATOM 0 HA LYS A 26 -2.119 6.085 -4.803 1.00 0.37 H new ATOM 0 HB2 LYS A 26 -3.363 5.234 -7.400 1.00 0.46 H new ATOM 0 HB3 LYS A 26 -3.016 6.868 -6.872 1.00 0.46 H new ATOM 0 HG2 LYS A 26 -1.127 4.735 -7.833 1.00 0.60 H new ATOM 0 HG3 LYS A 26 -1.223 6.423 -8.293 1.00 0.60 H new ATOM 0 HD2 LYS A 26 -0.230 7.093 -6.114 1.00 1.02 H new ATOM 0 HD3 LYS A 26 -0.174 5.416 -5.609 1.00 1.02 H new ATOM 0 HE2 LYS A 26 1.199 5.128 -7.904 1.00 0.77 H new ATOM 0 HE3 LYS A 26 1.507 6.838 -7.674 1.00 0.77 H new ATOM 0 HZ1 LYS A 26 3.234 5.931 -6.539 1.00 1.92 H new ATOM 0 HZ2 LYS A 26 2.113 6.053 -5.270 1.00 1.92 H new ATOM 0 HZ3 LYS A 26 2.363 4.561 -6.040 1.00 1.92 H new ATOM 387 N GLY A 27 -5.008 4.505 -4.937 1.00 0.40 N ATOM 388 CA GLY A 27 -6.289 4.471 -4.238 1.00 0.46 C ATOM 389 C GLY A 27 -6.059 4.434 -2.727 1.00 0.43 C ATOM 390 O GLY A 27 -6.705 5.147 -1.963 1.00 0.62 O ATOM 0 H GLY A 27 -4.849 3.727 -5.577 1.00 0.40 H new ATOM 0 HA2 GLY A 27 -6.881 5.347 -4.503 1.00 0.46 H new ATOM 0 HA3 GLY A 27 -6.859 3.596 -4.549 1.00 0.46 H new ATOM 394 N LEU A 28 -5.089 3.627 -2.306 1.00 0.34 N ATOM 395 CA LEU A 28 -4.651 3.514 -0.923 1.00 0.36 C ATOM 396 C LEU A 28 -4.177 4.877 -0.402 1.00 0.43 C ATOM 397 O LEU A 28 -4.499 5.272 0.716 1.00 0.67 O ATOM 398 CB LEU A 28 -3.628 2.386 -0.885 1.00 0.40 C ATOM 399 CG LEU A 28 -3.083 2.018 0.490 1.00 0.49 C ATOM 400 CD1 LEU A 28 -2.535 0.601 0.340 1.00 1.82 C ATOM 401 CD2 LEU A 28 -1.982 2.997 0.901 1.00 1.97 C ATOM 0 H LEU A 28 -4.572 3.016 -2.939 1.00 0.34 H new ATOM 0 HA LEU A 28 -5.452 3.248 -0.233 1.00 0.36 H new ATOM 0 HB2 LEU A 28 -4.082 1.497 -1.323 1.00 0.40 H new ATOM 0 HB3 LEU A 28 -2.789 2.663 -1.523 1.00 0.40 H new ATOM 0 HG LEU A 28 -3.847 2.067 1.265 1.00 0.49 H new ATOM 0 HD11 LEU A 28 -2.124 0.267 1.293 1.00 1.82 H new ATOM 0 HD12 LEU A 28 -3.339 -0.070 0.036 1.00 1.82 H new ATOM 0 HD13 LEU A 28 -1.750 0.593 -0.416 1.00 1.82 H new ATOM 0 HD21 LEU A 28 -1.601 2.724 1.885 1.00 1.97 H new ATOM 0 HD22 LEU A 28 -1.171 2.958 0.174 1.00 1.97 H new ATOM 0 HD23 LEU A 28 -2.389 4.008 0.938 1.00 1.97 H new ATOM 413 N LYS A 29 -3.474 5.652 -1.230 1.00 0.33 N ATOM 414 CA LYS A 29 -3.075 7.000 -0.868 1.00 0.40 C ATOM 415 C LYS A 29 -4.283 7.895 -0.612 1.00 0.43 C ATOM 416 O LYS A 29 -4.176 8.861 0.138 1.00 0.59 O ATOM 417 CB LYS A 29 -2.172 7.629 -1.935 1.00 0.43 C ATOM 418 CG LYS A 29 -1.318 8.759 -1.332 1.00 0.66 C ATOM 419 CD LYS A 29 -1.349 10.080 -2.123 1.00 0.74 C ATOM 420 CE LYS A 29 -1.966 11.241 -1.326 1.00 2.25 C ATOM 421 NZ LYS A 29 -3.408 11.095 -1.057 1.00 3.53 N ATOM 0 H LYS A 29 -3.171 5.361 -2.159 1.00 0.33 H new ATOM 0 HA LYS A 29 -2.506 6.918 0.058 1.00 0.40 H new ATOM 0 HB2 LYS A 29 -1.523 6.866 -2.364 1.00 0.43 H new ATOM 0 HB3 LYS A 29 -2.782 8.022 -2.748 1.00 0.43 H new ATOM 0 HG2 LYS A 29 -1.660 8.952 -0.315 1.00 0.66 H new ATOM 0 HG3 LYS A 29 -0.285 8.418 -1.261 1.00 0.66 H new ATOM 0 HD2 LYS A 29 -0.333 10.346 -2.415 1.00 0.74 H new ATOM 0 HD3 LYS A 29 -1.917 9.934 -3.042 1.00 0.74 H new ATOM 0 HE2 LYS A 29 -1.439 11.335 -0.376 1.00 2.25 H new ATOM 0 HE3 LYS A 29 -1.803 12.169 -1.874 1.00 2.25 H new ATOM 0 HZ1 LYS A 29 -3.763 11.955 -0.592 1.00 3.53 H new ATOM 0 HZ2 LYS A 29 -3.916 10.952 -1.953 1.00 3.53 H new ATOM 0 HZ3 LYS A 29 -3.564 10.276 -0.436 1.00 3.53 H new ATOM 435 N ARG A 30 -5.414 7.650 -1.276 1.00 0.38 N ATOM 436 CA ARG A 30 -6.601 8.477 -1.101 1.00 0.45 C ATOM 437 C ARG A 30 -7.280 8.255 0.255 1.00 0.48 C ATOM 438 O ARG A 30 -8.205 8.996 0.582 1.00 0.58 O ATOM 439 CB ARG A 30 -7.581 8.281 -2.274 1.00 0.50 C ATOM 440 CG ARG A 30 -7.535 9.477 -3.234 1.00 0.78 C ATOM 441 CD ARG A 30 -8.721 9.441 -4.205 1.00 1.43 C ATOM 442 NE ARG A 30 -8.706 10.612 -5.097 1.00 1.82 N ATOM 443 CZ ARG A 30 -9.739 11.025 -5.850 1.00 2.61 C ATOM 444 NH1 ARG A 30 -10.876 10.322 -5.865 1.00 3.59 N ATOM 445 NH2 ARG A 30 -9.630 12.140 -6.582 1.00 2.98 N ATOM 0 H ARG A 30 -5.529 6.884 -1.940 1.00 0.38 H new ATOM 0 HA ARG A 30 -6.274 9.517 -1.105 1.00 0.45 H new ATOM 0 HB2 ARG A 30 -7.330 7.367 -2.813 1.00 0.50 H new ATOM 0 HB3 ARG A 30 -8.594 8.157 -1.890 1.00 0.50 H new ATOM 0 HG2 ARG A 30 -7.553 10.407 -2.665 1.00 0.78 H new ATOM 0 HG3 ARG A 30 -6.600 9.464 -3.794 1.00 0.78 H new ATOM 0 HD2 ARG A 30 -8.683 8.527 -4.798 1.00 1.43 H new ATOM 0 HD3 ARG A 30 -9.655 9.418 -3.644 1.00 1.43 H new ATOM 0 HE ARG A 30 -7.843 11.153 -5.147 1.00 1.82 H new ATOM 0 HH11 ARG A 30 -10.958 9.473 -5.305 1.00 3.59 H new ATOM 0 HH12 ARG A 30 -11.661 10.634 -6.436 1.00 3.59 H new ATOM 0 HH21 ARG A 30 -8.763 12.676 -6.568 1.00 2.98 H new ATOM 0 HH22 ARG A 30 -10.414 12.453 -7.154 1.00 2.98 H new ATOM 459 N MET A 31 -6.857 7.263 1.043 1.00 0.44 N ATOM 460 CA MET A 31 -7.473 7.020 2.340 1.00 0.43 C ATOM 461 C MET A 31 -7.040 8.091 3.347 1.00 0.40 C ATOM 462 O MET A 31 -5.930 8.618 3.236 1.00 0.43 O ATOM 463 CB MET A 31 -7.103 5.614 2.825 1.00 0.48 C ATOM 464 CG MET A 31 -7.448 4.544 1.786 1.00 1.65 C ATOM 465 SD MET A 31 -9.066 4.634 0.967 1.00 3.33 S ATOM 466 CE MET A 31 -10.187 4.509 2.377 1.00 3.44 C ATOM 0 H MET A 31 -6.098 6.624 0.805 1.00 0.44 H new ATOM 0 HA MET A 31 -8.557 7.079 2.245 1.00 0.43 H new ATOM 0 HB2 MET A 31 -6.036 5.575 3.046 1.00 0.48 H new ATOM 0 HB3 MET A 31 -7.629 5.400 3.755 1.00 0.48 H new ATOM 0 HG2 MET A 31 -6.681 4.572 1.012 1.00 1.65 H new ATOM 0 HG3 MET A 31 -7.375 3.571 2.273 1.00 1.65 H new ATOM 0 HE1 MET A 31 -11.172 4.196 2.032 1.00 3.44 H new ATOM 0 HE2 MET A 31 -9.801 3.776 3.085 1.00 3.44 H new ATOM 0 HE3 MET A 31 -10.265 5.480 2.867 1.00 3.44 H new ATOM 476 N PRO A 32 -7.887 8.416 4.341 1.00 0.44 N ATOM 477 CA PRO A 32 -7.489 9.300 5.420 1.00 0.44 C ATOM 478 C PRO A 32 -6.242 8.716 6.088 1.00 0.44 C ATOM 479 O PRO A 32 -6.040 7.501 6.093 1.00 0.62 O ATOM 480 CB PRO A 32 -8.697 9.391 6.359 1.00 0.54 C ATOM 481 CG PRO A 32 -9.435 8.077 6.116 1.00 0.58 C ATOM 482 CD PRO A 32 -9.178 7.810 4.634 1.00 0.54 C ATOM 0 HA PRO A 32 -7.222 10.304 5.091 1.00 0.44 H new ATOM 0 HB2 PRO A 32 -8.390 9.493 7.400 1.00 0.54 H new ATOM 0 HB3 PRO A 32 -9.323 10.252 6.126 1.00 0.54 H new ATOM 0 HG2 PRO A 32 -9.048 7.274 6.744 1.00 0.58 H new ATOM 0 HG3 PRO A 32 -10.500 8.166 6.332 1.00 0.58 H new ATOM 0 HD2 PRO A 32 -9.164 6.740 4.426 1.00 0.54 H new ATOM 0 HD3 PRO A 32 -9.964 8.245 4.016 1.00 0.54 H new ATOM 490 N GLY A 33 -5.367 9.586 6.580 1.00 0.44 N ATOM 491 CA GLY A 33 -4.135 9.213 7.242 1.00 0.46 C ATOM 492 C GLY A 33 -2.977 8.991 6.275 1.00 0.41 C ATOM 493 O GLY A 33 -1.824 9.084 6.693 1.00 0.48 O ATOM 0 H GLY A 33 -5.504 10.595 6.525 1.00 0.44 H new ATOM 0 HA2 GLY A 33 -3.862 9.993 7.953 1.00 0.46 H new ATOM 0 HA3 GLY A 33 -4.300 8.301 7.816 1.00 0.46 H new ATOM 497 N VAL A 34 -3.235 8.697 4.997 1.00 0.47 N ATOM 498 CA VAL A 34 -2.175 8.386 4.048 1.00 0.35 C ATOM 499 C VAL A 34 -1.833 9.630 3.222 1.00 0.37 C ATOM 500 O VAL A 34 -2.718 10.248 2.631 1.00 0.58 O ATOM 501 CB VAL A 34 -2.585 7.198 3.172 1.00 0.37 C ATOM 502 CG1 VAL A 34 -1.359 6.735 2.370 1.00 0.29 C ATOM 503 CG2 VAL A 34 -3.092 6.019 4.015 1.00 0.54 C ATOM 0 H VAL A 34 -4.174 8.669 4.600 1.00 0.47 H new ATOM 0 HA VAL A 34 -1.273 8.094 4.585 1.00 0.35 H new ATOM 0 HB VAL A 34 -3.392 7.520 2.515 1.00 0.37 H new ATOM 0 HG11 VAL A 34 -1.634 5.889 1.741 1.00 0.29 H new ATOM 0 HG12 VAL A 34 -1.004 7.553 1.743 1.00 0.29 H new ATOM 0 HG13 VAL A 34 -0.568 6.434 3.056 1.00 0.29 H new ATOM 0 HG21 VAL A 34 -3.373 5.196 3.358 1.00 0.54 H new ATOM 0 HG22 VAL A 34 -2.303 5.690 4.692 1.00 0.54 H new ATOM 0 HG23 VAL A 34 -3.960 6.333 4.595 1.00 0.54 H new ATOM 513 N THR A 35 -0.549 10.001 3.179 1.00 0.31 N ATOM 514 CA THR A 35 -0.090 11.239 2.552 1.00 0.37 C ATOM 515 C THR A 35 0.758 10.972 1.308 1.00 0.49 C ATOM 516 O THR A 35 0.680 11.751 0.361 1.00 0.81 O ATOM 517 CB THR A 35 0.570 12.144 3.601 1.00 0.40 C ATOM 518 OG1 THR A 35 -0.398 13.056 4.085 1.00 0.91 O ATOM 519 CG2 THR A 35 1.773 12.933 3.082 1.00 0.70 C ATOM 0 H THR A 35 0.205 9.444 3.582 1.00 0.31 H new ATOM 0 HA THR A 35 -0.948 11.792 2.169 1.00 0.37 H new ATOM 0 HB THR A 35 0.947 11.487 4.385 1.00 0.40 H new ATOM 0 HG1 THR A 35 0.010 13.640 4.758 1.00 0.91 H new ATOM 0 HG21 THR A 35 2.180 13.547 3.886 1.00 0.70 H new ATOM 0 HG22 THR A 35 2.538 12.241 2.731 1.00 0.70 H new ATOM 0 HG23 THR A 35 1.459 13.575 2.259 1.00 0.70 H new ATOM 527 N ASP A 36 1.506 9.867 1.252 1.00 0.33 N ATOM 528 CA ASP A 36 2.105 9.424 0.002 1.00 0.36 C ATOM 529 C ASP A 36 2.150 7.908 -0.012 1.00 0.24 C ATOM 530 O ASP A 36 2.010 7.268 1.028 1.00 0.20 O ATOM 531 CB ASP A 36 3.490 10.045 -0.228 1.00 0.55 C ATOM 532 CG ASP A 36 3.448 11.080 -1.345 1.00 0.89 C ATOM 533 OD1 ASP A 36 2.974 10.693 -2.438 1.00 1.54 O ATOM 534 OD2 ASP A 36 3.896 12.218 -1.092 1.00 2.11 O ATOM 0 H ASP A 36 1.707 9.270 2.054 1.00 0.33 H new ATOM 0 HA ASP A 36 1.488 9.769 -0.828 1.00 0.36 H new ATOM 0 HB2 ASP A 36 3.840 10.513 0.692 1.00 0.55 H new ATOM 0 HB3 ASP A 36 4.206 9.262 -0.480 1.00 0.55 H new ATOM 539 N ALA A 37 2.289 7.322 -1.199 1.00 0.27 N ATOM 540 CA ALA A 37 2.397 5.875 -1.334 1.00 0.26 C ATOM 541 C ALA A 37 3.099 5.489 -2.638 1.00 0.31 C ATOM 542 O ALA A 37 2.866 6.118 -3.676 1.00 0.42 O ATOM 543 CB ALA A 37 1.013 5.235 -1.182 1.00 0.37 C ATOM 0 H ALA A 37 2.329 7.830 -2.082 1.00 0.27 H new ATOM 0 HA ALA A 37 3.025 5.484 -0.534 1.00 0.26 H new ATOM 0 HB1 ALA A 37 1.099 4.153 -1.284 1.00 0.37 H new ATOM 0 HB2 ALA A 37 0.607 5.476 -0.200 1.00 0.37 H new ATOM 0 HB3 ALA A 37 0.347 5.620 -1.954 1.00 0.37 H new ATOM 549 N ASN A 38 3.986 4.484 -2.597 1.00 0.26 N ATOM 550 CA ASN A 38 5.011 4.270 -3.612 1.00 0.29 C ATOM 551 C ASN A 38 5.360 2.786 -3.601 1.00 0.26 C ATOM 552 O ASN A 38 5.901 2.274 -2.622 1.00 0.30 O ATOM 553 CB ASN A 38 6.297 5.090 -3.356 1.00 0.33 C ATOM 554 CG ASN A 38 6.342 5.870 -2.046 1.00 0.32 C ATOM 555 OD1 ASN A 38 6.513 7.083 -2.043 1.00 0.45 O ATOM 556 ND2 ASN A 38 6.194 5.187 -0.914 1.00 0.30 N ATOM 0 H ASN A 38 4.006 3.793 -1.847 1.00 0.26 H new ATOM 0 HA ASN A 38 4.615 4.598 -4.573 1.00 0.29 H new ATOM 0 HB2 ASN A 38 7.149 4.410 -3.381 1.00 0.33 H new ATOM 0 HB3 ASN A 38 6.426 5.793 -4.179 1.00 0.33 H new ATOM 0 HD21 ASN A 38 6.222 5.673 -0.018 1.00 0.30 H new ATOM 0 HD22 ASN A 38 6.053 4.177 -0.942 1.00 0.30 H new ATOM 563 N VAL A 39 5.044 2.093 -4.690 1.00 0.27 N ATOM 564 CA VAL A 39 5.222 0.664 -4.799 1.00 0.26 C ATOM 565 C VAL A 39 6.586 0.350 -5.428 1.00 0.23 C ATOM 566 O VAL A 39 6.769 0.458 -6.639 1.00 0.53 O ATOM 567 CB VAL A 39 4.006 0.075 -5.526 1.00 0.38 C ATOM 568 CG1 VAL A 39 3.720 0.712 -6.896 1.00 0.66 C ATOM 569 CG2 VAL A 39 4.135 -1.440 -5.623 1.00 0.45 C ATOM 0 H VAL A 39 4.652 2.521 -5.529 1.00 0.27 H new ATOM 0 HA VAL A 39 5.254 0.180 -3.823 1.00 0.26 H new ATOM 0 HB VAL A 39 3.135 0.322 -4.920 1.00 0.38 H new ATOM 0 HG11 VAL A 39 2.845 0.239 -7.342 1.00 0.66 H new ATOM 0 HG12 VAL A 39 3.531 1.778 -6.769 1.00 0.66 H new ATOM 0 HG13 VAL A 39 4.581 0.572 -7.549 1.00 0.66 H new ATOM 0 HG21 VAL A 39 3.266 -1.847 -6.141 1.00 0.45 H new ATOM 0 HG22 VAL A 39 5.039 -1.693 -6.177 1.00 0.45 H new ATOM 0 HG23 VAL A 39 4.192 -1.865 -4.621 1.00 0.45 H new ATOM 579 N ASN A 40 7.570 -0.040 -4.616 1.00 0.33 N ATOM 580 CA ASN A 40 8.922 -0.312 -5.093 1.00 0.31 C ATOM 581 C ASN A 40 9.004 -1.738 -5.654 1.00 0.29 C ATOM 582 O ASN A 40 9.799 -2.577 -5.221 1.00 0.29 O ATOM 583 CB ASN A 40 9.916 -0.061 -3.955 1.00 0.33 C ATOM 584 CG ASN A 40 11.363 -0.094 -4.435 1.00 0.39 C ATOM 585 OD1 ASN A 40 11.638 -0.254 -5.619 1.00 0.53 O ATOM 586 ND2 ASN A 40 12.307 0.091 -3.517 1.00 0.60 N ATOM 0 H ASN A 40 7.450 -0.175 -3.612 1.00 0.33 H new ATOM 0 HA ASN A 40 9.182 0.360 -5.911 1.00 0.31 H new ATOM 0 HB2 ASN A 40 9.708 0.908 -3.500 1.00 0.33 H new ATOM 0 HB3 ASN A 40 9.775 -0.814 -3.179 1.00 0.33 H new ATOM 0 HD21 ASN A 40 13.289 0.102 -3.791 1.00 0.60 H new ATOM 0 HD22 ASN A 40 12.049 0.222 -2.539 1.00 0.60 H new ATOM 593 N LEU A 41 8.166 -1.996 -6.661 1.00 0.31 N ATOM 594 CA LEU A 41 8.047 -3.299 -7.305 1.00 0.34 C ATOM 595 C LEU A 41 9.326 -3.643 -8.067 1.00 0.40 C ATOM 596 O LEU A 41 9.598 -4.815 -8.299 1.00 0.46 O ATOM 597 CB LEU A 41 6.800 -3.332 -8.209 1.00 0.42 C ATOM 598 CG LEU A 41 5.825 -4.491 -7.924 1.00 0.46 C ATOM 599 CD1 LEU A 41 6.351 -5.829 -8.454 1.00 0.86 C ATOM 600 CD2 LEU A 41 5.475 -4.640 -6.440 1.00 0.89 C ATOM 0 H LEU A 41 7.543 -1.292 -7.055 1.00 0.31 H new ATOM 0 HA LEU A 41 7.918 -4.066 -6.542 1.00 0.34 H new ATOM 0 HB2 LEU A 41 6.264 -2.389 -8.099 1.00 0.42 H new ATOM 0 HB3 LEU A 41 7.123 -3.395 -9.248 1.00 0.42 H new ATOM 0 HG LEU A 41 4.913 -4.224 -8.458 1.00 0.46 H new ATOM 0 HD11 LEU A 41 5.632 -6.617 -8.231 1.00 0.86 H new ATOM 0 HD12 LEU A 41 6.493 -5.762 -9.533 1.00 0.86 H new ATOM 0 HD13 LEU A 41 7.303 -6.061 -7.976 1.00 0.86 H new ATOM 0 HD21 LEU A 41 4.785 -5.474 -6.311 1.00 0.89 H new ATOM 0 HD22 LEU A 41 6.384 -4.829 -5.869 1.00 0.89 H new ATOM 0 HD23 LEU A 41 5.006 -3.723 -6.083 1.00 0.89 H new ATOM 612 N ALA A 42 10.145 -2.636 -8.393 1.00 0.41 N ATOM 613 CA ALA A 42 11.485 -2.824 -8.936 1.00 0.45 C ATOM 614 C ALA A 42 12.309 -3.831 -8.134 1.00 0.47 C ATOM 615 O ALA A 42 13.198 -4.463 -8.698 1.00 0.63 O ATOM 616 CB ALA A 42 12.233 -1.495 -8.937 1.00 0.46 C ATOM 0 H ALA A 42 9.887 -1.655 -8.283 1.00 0.41 H new ATOM 0 HA ALA A 42 11.360 -3.210 -9.948 1.00 0.45 H new ATOM 0 HB1 ALA A 42 13.234 -1.641 -9.344 1.00 0.46 H new ATOM 0 HB2 ALA A 42 11.693 -0.774 -9.551 1.00 0.46 H new ATOM 0 HB3 ALA A 42 12.307 -1.119 -7.917 1.00 0.46 H new ATOM 622 N THR A 43 12.054 -3.937 -6.825 1.00 0.39 N ATOM 623 CA THR A 43 12.656 -4.963 -5.989 1.00 0.50 C ATOM 624 C THR A 43 11.565 -5.679 -5.177 1.00 0.63 C ATOM 625 O THR A 43 11.810 -6.098 -4.045 1.00 1.22 O ATOM 626 CB THR A 43 13.786 -4.339 -5.142 1.00 0.56 C ATOM 627 OG1 THR A 43 14.334 -5.252 -4.214 1.00 0.69 O ATOM 628 CG2 THR A 43 13.329 -3.082 -4.397 1.00 0.75 C ATOM 0 H THR A 43 11.424 -3.311 -6.323 1.00 0.39 H new ATOM 0 HA THR A 43 13.128 -5.738 -6.593 1.00 0.50 H new ATOM 0 HB THR A 43 14.560 -4.063 -5.858 1.00 0.56 H new ATOM 0 HG1 THR A 43 13.611 -5.754 -3.783 1.00 0.69 H new ATOM 0 HG21 THR A 43 14.160 -2.681 -3.816 1.00 0.75 H new ATOM 0 HG22 THR A 43 12.995 -2.334 -5.116 1.00 0.75 H new ATOM 0 HG23 THR A 43 12.507 -3.335 -3.728 1.00 0.75 H new ATOM 636 N GLU A 44 10.363 -5.808 -5.750 1.00 0.35 N ATOM 637 CA GLU A 44 9.246 -6.544 -5.174 1.00 0.37 C ATOM 638 C GLU A 44 8.890 -6.083 -3.749 1.00 0.42 C ATOM 639 O GLU A 44 8.532 -6.898 -2.900 1.00 0.63 O ATOM 640 CB GLU A 44 9.512 -8.057 -5.263 1.00 0.41 C ATOM 641 CG GLU A 44 9.408 -8.626 -6.690 1.00 0.78 C ATOM 642 CD GLU A 44 10.527 -8.208 -7.638 1.00 2.86 C ATOM 643 OE1 GLU A 44 11.658 -8.000 -7.149 1.00 4.00 O ATOM 644 OE2 GLU A 44 10.230 -8.140 -8.849 1.00 3.90 O ATOM 0 H GLU A 44 10.140 -5.389 -6.653 1.00 0.35 H new ATOM 0 HA GLU A 44 8.358 -6.320 -5.766 1.00 0.37 H new ATOM 0 HB2 GLU A 44 10.508 -8.265 -4.871 1.00 0.41 H new ATOM 0 HB3 GLU A 44 8.802 -8.579 -4.622 1.00 0.41 H new ATOM 0 HG2 GLU A 44 9.392 -9.714 -6.630 1.00 0.78 H new ATOM 0 HG3 GLU A 44 8.455 -8.316 -7.119 1.00 0.78 H new ATOM 651 N THR A 45 8.915 -4.776 -3.488 1.00 0.32 N ATOM 652 CA THR A 45 8.523 -4.200 -2.212 1.00 0.28 C ATOM 653 C THR A 45 7.439 -3.146 -2.437 1.00 0.20 C ATOM 654 O THR A 45 7.257 -2.665 -3.552 1.00 0.24 O ATOM 655 CB THR A 45 9.762 -3.596 -1.525 1.00 0.36 C ATOM 656 OG1 THR A 45 10.958 -4.164 -2.012 1.00 0.99 O ATOM 657 CG2 THR A 45 9.713 -3.886 -0.033 1.00 0.69 C ATOM 0 H THR A 45 9.214 -4.081 -4.172 1.00 0.32 H new ATOM 0 HA THR A 45 8.112 -4.971 -1.561 1.00 0.28 H new ATOM 0 HB THR A 45 9.750 -2.526 -1.731 1.00 0.36 H new ATOM 0 HG1 THR A 45 11.723 -3.756 -1.555 1.00 0.99 H new ATOM 0 HG21 THR A 45 10.591 -3.457 0.450 1.00 0.69 H new ATOM 0 HG22 THR A 45 8.812 -3.445 0.394 1.00 0.69 H new ATOM 0 HG23 THR A 45 9.700 -4.964 0.128 1.00 0.69 H new ATOM 665 N VAL A 46 6.729 -2.759 -1.378 1.00 0.21 N ATOM 666 CA VAL A 46 5.788 -1.649 -1.407 1.00 0.18 C ATOM 667 C VAL A 46 6.026 -0.771 -0.183 1.00 0.17 C ATOM 668 O VAL A 46 6.322 -1.312 0.884 1.00 0.20 O ATOM 669 CB VAL A 46 4.353 -2.185 -1.519 1.00 0.25 C ATOM 670 CG1 VAL A 46 4.004 -3.210 -0.435 1.00 0.31 C ATOM 671 CG2 VAL A 46 3.323 -1.062 -1.463 1.00 0.36 C ATOM 0 H VAL A 46 6.794 -3.215 -0.468 1.00 0.21 H new ATOM 0 HA VAL A 46 5.942 -1.021 -2.285 1.00 0.18 H new ATOM 0 HB VAL A 46 4.316 -2.680 -2.490 1.00 0.25 H new ATOM 0 HG11 VAL A 46 2.977 -3.548 -0.571 1.00 0.31 H new ATOM 0 HG12 VAL A 46 4.680 -4.062 -0.509 1.00 0.31 H new ATOM 0 HG13 VAL A 46 4.107 -2.750 0.548 1.00 0.31 H new ATOM 0 HG21 VAL A 46 2.321 -1.483 -1.545 1.00 0.36 H new ATOM 0 HG22 VAL A 46 3.416 -0.530 -0.516 1.00 0.36 H new ATOM 0 HG23 VAL A 46 3.495 -0.370 -2.287 1.00 0.36 H new ATOM 681 N ASN A 47 5.941 0.561 -0.344 1.00 0.18 N ATOM 682 CA ASN A 47 6.179 1.521 0.721 1.00 0.19 C ATOM 683 C ASN A 47 5.005 2.488 0.760 1.00 0.20 C ATOM 684 O ASN A 47 4.550 2.936 -0.294 1.00 0.28 O ATOM 685 CB ASN A 47 7.471 2.306 0.459 1.00 0.21 C ATOM 686 CG ASN A 47 8.732 1.512 0.767 1.00 0.24 C ATOM 687 OD1 ASN A 47 9.474 1.126 -0.132 1.00 0.29 O ATOM 688 ND2 ASN A 47 9.010 1.298 2.048 1.00 0.27 N ATOM 0 H ASN A 47 5.701 0.996 -1.235 1.00 0.18 H new ATOM 0 HA ASN A 47 6.280 0.995 1.670 1.00 0.19 H new ATOM 0 HB2 ASN A 47 7.493 2.618 -0.585 1.00 0.21 H new ATOM 0 HB3 ASN A 47 7.465 3.213 1.063 1.00 0.21 H new ATOM 0 HD21 ASN A 47 9.861 0.800 2.309 1.00 0.27 H new ATOM 0 HD22 ASN A 47 8.372 1.632 2.771 1.00 0.27 H new ATOM 695 N VAL A 48 4.533 2.845 1.953 1.00 0.18 N ATOM 696 CA VAL A 48 3.371 3.692 2.129 1.00 0.19 C ATOM 697 C VAL A 48 3.723 4.688 3.226 1.00 0.19 C ATOM 698 O VAL A 48 4.243 4.290 4.269 1.00 0.21 O ATOM 699 CB VAL A 48 2.118 2.841 2.403 1.00 0.24 C ATOM 700 CG1 VAL A 48 2.300 1.845 3.558 1.00 1.72 C ATOM 701 CG2 VAL A 48 0.896 3.744 2.611 1.00 1.70 C ATOM 0 H VAL A 48 4.957 2.547 2.831 1.00 0.18 H new ATOM 0 HA VAL A 48 3.117 4.252 1.229 1.00 0.19 H new ATOM 0 HB VAL A 48 1.949 2.226 1.519 1.00 0.24 H new ATOM 0 HG11 VAL A 48 1.380 1.278 3.698 1.00 1.72 H new ATOM 0 HG12 VAL A 48 3.116 1.161 3.324 1.00 1.72 H new ATOM 0 HG13 VAL A 48 2.534 2.388 4.474 1.00 1.72 H new ATOM 0 HG21 VAL A 48 0.017 3.128 2.804 1.00 1.70 H new ATOM 0 HG22 VAL A 48 1.071 4.403 3.461 1.00 1.70 H new ATOM 0 HG23 VAL A 48 0.730 4.343 1.716 1.00 1.70 H new ATOM 711 N ILE A 49 3.511 5.973 2.931 1.00 0.20 N ATOM 712 CA ILE A 49 3.921 7.106 3.731 1.00 0.21 C ATOM 713 C ILE A 49 2.665 7.667 4.402 1.00 0.20 C ATOM 714 O ILE A 49 1.892 8.417 3.790 1.00 0.23 O ATOM 715 CB ILE A 49 4.632 8.154 2.846 1.00 0.26 C ATOM 716 CG1 ILE A 49 5.580 7.545 1.793 1.00 0.41 C ATOM 717 CG2 ILE A 49 5.363 9.187 3.712 1.00 0.32 C ATOM 718 CD1 ILE A 49 6.717 6.698 2.380 1.00 0.31 C ATOM 0 H ILE A 49 3.022 6.255 2.081 1.00 0.20 H new ATOM 0 HA ILE A 49 4.639 6.814 4.498 1.00 0.21 H new ATOM 0 HB ILE A 49 3.845 8.652 2.279 1.00 0.26 H new ATOM 0 HG12 ILE A 49 4.997 6.926 1.111 1.00 0.41 H new ATOM 0 HG13 ILE A 49 6.012 8.352 1.201 1.00 0.41 H new ATOM 0 HG21 ILE A 49 5.857 9.916 3.070 1.00 0.32 H new ATOM 0 HG22 ILE A 49 4.645 9.697 4.354 1.00 0.32 H new ATOM 0 HG23 ILE A 49 6.107 8.683 4.329 1.00 0.32 H new ATOM 0 HD11 ILE A 49 7.335 6.308 1.571 1.00 0.31 H new ATOM 0 HD12 ILE A 49 7.328 7.315 3.039 1.00 0.31 H new ATOM 0 HD13 ILE A 49 6.297 5.868 2.947 1.00 0.31 H new ATOM 730 N TYR A 50 2.424 7.264 5.651 1.00 0.21 N ATOM 731 CA TYR A 50 1.173 7.557 6.340 1.00 0.21 C ATOM 732 C TYR A 50 1.413 7.987 7.773 1.00 0.22 C ATOM 733 O TYR A 50 2.508 7.806 8.301 1.00 0.29 O ATOM 734 CB TYR A 50 0.224 6.359 6.285 1.00 0.21 C ATOM 735 CG TYR A 50 0.621 5.133 7.091 1.00 0.24 C ATOM 736 CD1 TYR A 50 0.219 5.025 8.432 1.00 1.68 C ATOM 737 CD2 TYR A 50 1.219 4.027 6.463 1.00 1.46 C ATOM 738 CE1 TYR A 50 0.412 3.827 9.136 1.00 1.72 C ATOM 739 CE2 TYR A 50 1.271 2.785 7.122 1.00 1.45 C ATOM 740 CZ TYR A 50 0.870 2.687 8.463 1.00 0.39 C ATOM 741 OH TYR A 50 0.883 1.483 9.107 1.00 0.52 O ATOM 0 H TYR A 50 3.089 6.728 6.208 1.00 0.21 H new ATOM 0 HA TYR A 50 0.702 8.391 5.820 1.00 0.21 H new ATOM 0 HB2 TYR A 50 -0.758 6.687 6.627 1.00 0.21 H new ATOM 0 HB3 TYR A 50 0.115 6.060 5.243 1.00 0.21 H new ATOM 0 HD1 TYR A 50 -0.241 5.869 8.924 1.00 1.68 H new ATOM 0 HD2 TYR A 50 1.639 4.131 5.473 1.00 1.46 H new ATOM 0 HE1 TYR A 50 0.208 3.784 10.196 1.00 1.72 H new ATOM 0 HE2 TYR A 50 1.619 1.908 6.596 1.00 1.45 H new ATOM 0 HH TYR A 50 1.228 0.793 8.503 1.00 0.52 H new ATOM 751 N ASP A 51 0.372 8.563 8.366 1.00 0.22 N ATOM 752 CA ASP A 51 0.333 9.000 9.754 1.00 0.27 C ATOM 753 C ASP A 51 -0.092 7.833 10.650 1.00 0.29 C ATOM 754 O ASP A 51 -1.266 7.456 10.615 1.00 0.34 O ATOM 755 CB ASP A 51 -0.623 10.195 9.902 1.00 0.38 C ATOM 756 CG ASP A 51 -0.836 10.628 11.354 1.00 1.80 C ATOM 757 OD1 ASP A 51 -0.244 9.983 12.248 1.00 2.91 O ATOM 758 OD2 ASP A 51 -1.614 11.587 11.555 1.00 2.53 O ATOM 0 H ASP A 51 -0.501 8.745 7.871 1.00 0.22 H new ATOM 0 HA ASP A 51 1.326 9.324 10.064 1.00 0.27 H new ATOM 0 HB2 ASP A 51 -0.230 11.038 9.334 1.00 0.38 H new ATOM 0 HB3 ASP A 51 -1.587 9.936 9.463 1.00 0.38 H new ATOM 763 N PRO A 52 0.819 7.263 11.462 1.00 0.35 N ATOM 764 CA PRO A 52 0.523 6.123 12.315 1.00 0.40 C ATOM 765 C PRO A 52 -0.385 6.470 13.503 1.00 0.52 C ATOM 766 O PRO A 52 -0.663 5.585 14.313 1.00 0.64 O ATOM 767 CB PRO A 52 1.885 5.597 12.773 1.00 0.50 C ATOM 768 CG PRO A 52 2.718 6.874 12.845 1.00 0.56 C ATOM 769 CD PRO A 52 2.202 7.677 11.652 1.00 0.44 C ATOM 0 HA PRO A 52 -0.044 5.371 11.766 1.00 0.40 H new ATOM 0 HB2 PRO A 52 1.824 5.096 13.739 1.00 0.50 H new ATOM 0 HB3 PRO A 52 2.302 4.878 12.067 1.00 0.50 H new ATOM 0 HG2 PRO A 52 2.567 7.404 13.786 1.00 0.56 H new ATOM 0 HG3 PRO A 52 3.785 6.667 12.763 1.00 0.56 H new ATOM 0 HD2 PRO A 52 2.266 8.748 11.844 1.00 0.44 H new ATOM 0 HD3 PRO A 52 2.796 7.477 10.760 1.00 0.44 H new ATOM 777 N ALA A 53 -0.847 7.720 13.634 1.00 0.54 N ATOM 778 CA ALA A 53 -1.884 8.083 14.581 1.00 0.65 C ATOM 779 C ALA A 53 -3.252 7.950 13.910 1.00 0.61 C ATOM 780 O ALA A 53 -4.236 7.688 14.600 1.00 0.77 O ATOM 781 CB ALA A 53 -1.662 9.520 15.060 1.00 0.75 C ATOM 0 H ALA A 53 -0.504 8.504 13.079 1.00 0.54 H new ATOM 0 HA ALA A 53 -1.846 7.417 15.443 1.00 0.65 H new ATOM 0 HB1 ALA A 53 -2.442 9.791 15.771 1.00 0.75 H new ATOM 0 HB2 ALA A 53 -0.688 9.596 15.543 1.00 0.75 H new ATOM 0 HB3 ALA A 53 -1.698 10.198 14.207 1.00 0.75 H new ATOM 787 N GLU A 54 -3.320 8.161 12.587 1.00 0.50 N ATOM 788 CA GLU A 54 -4.575 8.269 11.857 1.00 0.60 C ATOM 789 C GLU A 54 -4.877 6.961 11.120 1.00 0.66 C ATOM 790 O GLU A 54 -5.948 6.379 11.280 1.00 0.94 O ATOM 791 CB GLU A 54 -4.553 9.504 10.939 1.00 0.65 C ATOM 792 CG GLU A 54 -5.973 9.906 10.500 1.00 0.87 C ATOM 793 CD GLU A 54 -6.020 11.239 9.752 1.00 1.91 C ATOM 794 OE1 GLU A 54 -5.876 12.272 10.438 1.00 2.76 O ATOM 795 OE2 GLU A 54 -6.232 11.209 8.519 1.00 3.09 O ATOM 0 H GLU A 54 -2.494 8.261 11.996 1.00 0.50 H new ATOM 0 HA GLU A 54 -5.398 8.421 12.555 1.00 0.60 H new ATOM 0 HB2 GLU A 54 -4.082 10.338 11.460 1.00 0.65 H new ATOM 0 HB3 GLU A 54 -3.945 9.294 10.059 1.00 0.65 H new ATOM 0 HG2 GLU A 54 -6.383 9.124 9.861 1.00 0.87 H new ATOM 0 HG3 GLU A 54 -6.614 9.968 11.379 1.00 0.87 H new ATOM 802 N THR A 55 -3.901 6.478 10.346 1.00 0.46 N ATOM 803 CA THR A 55 -3.799 5.082 9.945 1.00 0.50 C ATOM 804 C THR A 55 -2.789 4.348 10.814 1.00 0.48 C ATOM 805 O THR A 55 -2.338 4.861 11.831 1.00 0.55 O ATOM 806 CB THR A 55 -3.627 4.918 8.423 1.00 0.50 C ATOM 807 OG1 THR A 55 -2.800 5.938 7.917 1.00 0.40 O ATOM 808 CG2 THR A 55 -4.999 5.012 7.764 1.00 0.63 C ATOM 0 H THR A 55 -3.149 7.060 9.977 1.00 0.46 H new ATOM 0 HA THR A 55 -4.750 4.584 10.135 1.00 0.50 H new ATOM 0 HB THR A 55 -3.169 3.952 8.211 1.00 0.50 H new ATOM 0 HG1 THR A 55 -1.863 5.728 8.114 1.00 0.40 H new ATOM 0 HG21 THR A 55 -4.893 4.898 6.685 1.00 0.63 H new ATOM 0 HG22 THR A 55 -5.643 4.223 8.151 1.00 0.63 H new ATOM 0 HG23 THR A 55 -5.443 5.983 7.984 1.00 0.63 H new ATOM 816 N GLY A 56 -2.521 3.093 10.462 1.00 0.56 N ATOM 817 CA GLY A 56 -1.976 2.108 11.364 1.00 0.66 C ATOM 818 C GLY A 56 -2.617 0.797 10.943 1.00 1.10 C ATOM 819 O GLY A 56 -3.673 0.462 11.462 1.00 2.43 O ATOM 0 H GLY A 56 -2.683 2.735 9.521 1.00 0.56 H new ATOM 0 HA2 GLY A 56 -0.890 2.060 11.287 1.00 0.66 H new ATOM 0 HA3 GLY A 56 -2.212 2.348 12.401 1.00 0.66 H new ATOM 823 N THR A 57 -1.929 0.067 10.056 1.00 0.54 N ATOM 824 CA THR A 57 -2.227 -0.738 8.862 1.00 0.73 C ATOM 825 C THR A 57 -3.675 -1.068 8.511 1.00 0.59 C ATOM 826 O THR A 57 -3.956 -1.351 7.346 1.00 0.63 O ATOM 827 CB THR A 57 -1.508 -2.083 9.068 1.00 0.93 C ATOM 828 OG1 THR A 57 -1.919 -2.663 10.289 1.00 0.99 O ATOM 829 CG2 THR A 57 0.016 -1.952 9.081 1.00 1.08 C ATOM 0 H THR A 57 -0.920 0.024 10.201 1.00 0.54 H new ATOM 0 HA THR A 57 -1.904 -0.109 8.033 1.00 0.73 H new ATOM 0 HB THR A 57 -1.781 -2.712 8.221 1.00 0.93 H new ATOM 0 HG1 THR A 57 -1.460 -3.520 10.415 1.00 0.99 H new ATOM 0 HG21 THR A 57 0.464 -2.934 9.230 1.00 1.08 H new ATOM 0 HG22 THR A 57 0.354 -1.539 8.130 1.00 1.08 H new ATOM 0 HG23 THR A 57 0.317 -1.289 9.892 1.00 1.08 H new ATOM 837 N ALA A 58 -4.581 -0.957 9.464 1.00 0.55 N ATOM 838 CA ALA A 58 -6.013 -1.020 9.334 1.00 0.63 C ATOM 839 C ALA A 58 -6.539 -0.604 7.970 1.00 0.60 C ATOM 840 O ALA A 58 -7.157 -1.414 7.281 1.00 0.60 O ATOM 841 CB ALA A 58 -6.590 -0.128 10.437 1.00 0.74 C ATOM 0 H ALA A 58 -4.301 -0.807 10.433 1.00 0.55 H new ATOM 0 HA ALA A 58 -6.327 -2.059 9.434 1.00 0.63 H new ATOM 0 HB1 ALA A 58 -7.679 -0.140 10.383 1.00 0.74 H new ATOM 0 HB2 ALA A 58 -6.271 -0.501 11.410 1.00 0.74 H new ATOM 0 HB3 ALA A 58 -6.232 0.893 10.304 1.00 0.74 H new ATOM 847 N ALA A 59 -6.305 0.647 7.571 1.00 0.59 N ATOM 848 CA ALA A 59 -7.024 1.139 6.392 1.00 0.58 C ATOM 849 C ALA A 59 -6.445 0.493 5.147 1.00 0.48 C ATOM 850 O ALA A 59 -7.149 0.046 4.244 1.00 0.40 O ATOM 851 CB ALA A 59 -6.956 2.655 6.275 1.00 0.71 C ATOM 0 H ALA A 59 -5.664 1.305 8.014 1.00 0.59 H new ATOM 0 HA ALA A 59 -8.075 0.870 6.499 1.00 0.58 H new ATOM 0 HB1 ALA A 59 -7.502 2.976 5.388 1.00 0.71 H new ATOM 0 HB2 ALA A 59 -7.403 3.109 7.160 1.00 0.71 H new ATOM 0 HB3 ALA A 59 -5.915 2.967 6.193 1.00 0.71 H new ATOM 857 N ILE A 60 -5.119 0.482 5.140 1.00 0.54 N ATOM 858 CA ILE A 60 -4.291 -0.087 4.115 1.00 0.48 C ATOM 859 C ILE A 60 -4.681 -1.527 3.850 1.00 0.39 C ATOM 860 O ILE A 60 -4.952 -1.839 2.701 1.00 0.37 O ATOM 861 CB ILE A 60 -2.832 0.146 4.533 1.00 0.56 C ATOM 862 CG1 ILE A 60 -2.466 1.550 4.047 1.00 0.65 C ATOM 863 CG2 ILE A 60 -1.828 -0.882 4.006 1.00 0.57 C ATOM 864 CD1 ILE A 60 -1.710 2.347 5.112 1.00 0.90 C ATOM 0 H ILE A 60 -4.574 0.896 5.896 1.00 0.54 H new ATOM 0 HA ILE A 60 -4.429 0.393 3.146 1.00 0.48 H new ATOM 0 HB ILE A 60 -2.768 0.037 5.616 1.00 0.56 H new ATOM 0 HG12 ILE A 60 -1.854 1.474 3.148 1.00 0.65 H new ATOM 0 HG13 ILE A 60 -3.374 2.086 3.770 1.00 0.65 H new ATOM 0 HG21 ILE A 60 -0.828 -0.627 4.358 1.00 0.57 H new ATOM 0 HG22 ILE A 60 -2.098 -1.874 4.369 1.00 0.57 H new ATOM 0 HG23 ILE A 60 -1.841 -0.878 2.916 1.00 0.57 H new ATOM 0 HD11 ILE A 60 -1.470 3.337 4.724 1.00 0.90 H new ATOM 0 HD12 ILE A 60 -2.332 2.447 6.002 1.00 0.90 H new ATOM 0 HD13 ILE A 60 -0.788 1.826 5.370 1.00 0.90 H new ATOM 876 N GLN A 61 -4.753 -2.397 4.860 1.00 0.40 N ATOM 877 CA GLN A 61 -5.065 -3.800 4.600 1.00 0.38 C ATOM 878 C GLN A 61 -6.492 -3.905 4.041 1.00 0.33 C ATOM 879 O GLN A 61 -6.714 -4.601 3.048 1.00 0.33 O ATOM 880 CB GLN A 61 -4.906 -4.665 5.856 1.00 0.44 C ATOM 881 CG GLN A 61 -3.791 -5.724 5.767 1.00 0.62 C ATOM 882 CD GLN A 61 -2.416 -5.186 6.150 1.00 1.16 C ATOM 883 OE1 GLN A 61 -2.210 -3.880 6.031 1.00 1.75 O flip ATOM 884 NE2 GLN A 61 -1.542 -5.929 6.583 1.00 1.38 N flip ATOM 0 H GLN A 61 -4.603 -2.162 5.841 1.00 0.40 H new ATOM 0 HA GLN A 61 -4.355 -4.181 3.865 1.00 0.38 H new ATOM 0 HB2 GLN A 61 -4.704 -4.014 6.707 1.00 0.44 H new ATOM 0 HB3 GLN A 61 -5.852 -5.168 6.057 1.00 0.44 H new ATOM 0 HG2 GLN A 61 -4.041 -6.560 6.420 1.00 0.62 H new ATOM 0 HG3 GLN A 61 -3.750 -6.114 4.750 1.00 0.62 H new ATOM 0 HE21 GLN A 61 -1.719 -6.930 6.667 1.00 1.38 H new ATOM 0 HE22 GLN A 61 -0.638 -5.546 6.859 1.00 1.38 H new ATOM 893 N GLU A 62 -7.443 -3.193 4.668 1.00 0.32 N ATOM 894 CA GLU A 62 -8.834 -3.142 4.223 1.00 0.33 C ATOM 895 C GLU A 62 -8.878 -2.878 2.719 1.00 0.36 C ATOM 896 O GLU A 62 -9.422 -3.639 1.917 1.00 0.43 O ATOM 897 CB GLU A 62 -9.566 -2.017 4.987 1.00 0.37 C ATOM 898 CG GLU A 62 -10.627 -2.560 5.952 1.00 0.54 C ATOM 899 CD GLU A 62 -11.924 -2.948 5.245 1.00 1.80 C ATOM 900 OE1 GLU A 62 -11.962 -2.846 3.998 1.00 2.84 O ATOM 901 OE2 GLU A 62 -12.871 -3.310 5.975 1.00 2.40 O ATOM 0 H GLU A 62 -7.261 -2.635 5.502 1.00 0.32 H new ATOM 0 HA GLU A 62 -9.327 -4.093 4.426 1.00 0.33 H new ATOM 0 HB2 GLU A 62 -8.839 -1.428 5.545 1.00 0.37 H new ATOM 0 HB3 GLU A 62 -10.039 -1.344 4.272 1.00 0.37 H new ATOM 0 HG2 GLU A 62 -10.227 -3.430 6.472 1.00 0.54 H new ATOM 0 HG3 GLU A 62 -10.842 -1.807 6.710 1.00 0.54 H new ATOM 908 N LYS A 63 -8.263 -1.767 2.331 1.00 0.35 N ATOM 909 CA LYS A 63 -8.279 -1.302 0.978 1.00 0.37 C ATOM 910 C LYS A 63 -7.441 -2.159 0.047 1.00 0.33 C ATOM 911 O LYS A 63 -7.837 -2.348 -1.095 1.00 0.38 O ATOM 912 CB LYS A 63 -7.848 0.148 1.006 1.00 0.42 C ATOM 913 CG LYS A 63 -8.999 1.022 1.528 1.00 0.58 C ATOM 914 CD LYS A 63 -10.045 1.466 0.491 1.00 0.70 C ATOM 915 CE LYS A 63 -11.011 0.366 0.028 1.00 1.87 C ATOM 916 NZ LYS A 63 -12.256 0.923 -0.539 1.00 2.50 N ATOM 0 H LYS A 63 -7.737 -1.167 2.966 1.00 0.35 H new ATOM 0 HA LYS A 63 -9.283 -1.383 0.563 1.00 0.37 H new ATOM 0 HB2 LYS A 63 -6.972 0.265 1.644 1.00 0.42 H new ATOM 0 HB3 LYS A 63 -7.559 0.471 0.006 1.00 0.42 H new ATOM 0 HG2 LYS A 63 -9.512 0.474 2.318 1.00 0.58 H new ATOM 0 HG3 LYS A 63 -8.571 1.914 1.985 1.00 0.58 H new ATOM 0 HD2 LYS A 63 -10.627 2.285 0.913 1.00 0.70 H new ATOM 0 HD3 LYS A 63 -9.524 1.861 -0.381 1.00 0.70 H new ATOM 0 HE2 LYS A 63 -10.519 -0.257 -0.720 1.00 1.87 H new ATOM 0 HE3 LYS A 63 -11.255 -0.281 0.871 1.00 1.87 H new ATOM 0 HZ1 LYS A 63 -12.879 0.146 -0.839 1.00 2.50 H new ATOM 0 HZ2 LYS A 63 -12.740 1.496 0.182 1.00 2.50 H new ATOM 0 HZ3 LYS A 63 -12.027 1.519 -1.360 1.00 2.50 H new ATOM 930 N ILE A 64 -6.312 -2.679 0.517 1.00 0.28 N ATOM 931 CA ILE A 64 -5.460 -3.607 -0.203 1.00 0.28 C ATOM 932 C ILE A 64 -6.357 -4.737 -0.735 1.00 0.32 C ATOM 933 O ILE A 64 -6.404 -5.007 -1.938 1.00 0.34 O ATOM 934 CB ILE A 64 -4.355 -4.097 0.750 1.00 0.31 C ATOM 935 CG1 ILE A 64 -3.088 -3.247 0.620 1.00 0.35 C ATOM 936 CG2 ILE A 64 -4.043 -5.589 0.676 1.00 0.36 C ATOM 937 CD1 ILE A 64 -2.315 -3.534 -0.660 1.00 0.42 C ATOM 0 H ILE A 64 -5.955 -2.454 1.446 1.00 0.28 H new ATOM 0 HA ILE A 64 -4.959 -3.149 -1.055 1.00 0.28 H new ATOM 0 HB ILE A 64 -4.771 -3.959 1.748 1.00 0.31 H new ATOM 0 HG12 ILE A 64 -3.359 -2.192 0.646 1.00 0.35 H new ATOM 0 HG13 ILE A 64 -2.442 -3.432 1.478 1.00 0.35 H new ATOM 0 HG21 ILE A 64 -3.252 -5.831 1.386 1.00 0.36 H new ATOM 0 HG22 ILE A 64 -4.938 -6.161 0.922 1.00 0.36 H new ATOM 0 HG23 ILE A 64 -3.716 -5.843 -0.332 1.00 0.36 H new ATOM 0 HD11 ILE A 64 -1.427 -2.903 -0.698 1.00 0.42 H new ATOM 0 HD12 ILE A 64 -2.016 -4.582 -0.677 1.00 0.42 H new ATOM 0 HD13 ILE A 64 -2.948 -3.323 -1.522 1.00 0.42 H new ATOM 949 N GLU A 65 -7.125 -5.340 0.179 1.00 0.35 N ATOM 950 CA GLU A 65 -8.098 -6.371 -0.141 1.00 0.42 C ATOM 951 C GLU A 65 -9.162 -5.833 -1.092 1.00 0.40 C ATOM 952 O GLU A 65 -9.367 -6.382 -2.171 1.00 0.43 O ATOM 953 CB GLU A 65 -8.718 -6.894 1.160 1.00 0.50 C ATOM 954 CG GLU A 65 -7.823 -7.976 1.770 1.00 0.66 C ATOM 955 CD GLU A 65 -7.989 -9.335 1.078 1.00 0.96 C ATOM 956 OE1 GLU A 65 -8.815 -9.418 0.145 1.00 1.55 O ATOM 957 OE2 GLU A 65 -7.285 -10.280 1.494 1.00 1.84 O ATOM 0 H GLU A 65 -7.082 -5.117 1.173 1.00 0.35 H new ATOM 0 HA GLU A 65 -7.602 -7.197 -0.651 1.00 0.42 H new ATOM 0 HB2 GLU A 65 -8.845 -6.074 1.867 1.00 0.50 H new ATOM 0 HB3 GLU A 65 -9.710 -7.300 0.962 1.00 0.50 H new ATOM 0 HG2 GLU A 65 -6.781 -7.662 1.702 1.00 0.66 H new ATOM 0 HG3 GLU A 65 -8.056 -8.081 2.830 1.00 0.66 H new ATOM 964 N LYS A 66 -9.841 -4.745 -0.722 1.00 0.40 N ATOM 965 CA LYS A 66 -10.927 -4.202 -1.537 1.00 0.46 C ATOM 966 C LYS A 66 -10.500 -3.851 -2.971 1.00 0.44 C ATOM 967 O LYS A 66 -11.302 -3.984 -3.895 1.00 0.52 O ATOM 968 CB LYS A 66 -11.594 -3.018 -0.819 1.00 0.51 C ATOM 969 CG LYS A 66 -12.946 -3.403 -0.203 1.00 0.64 C ATOM 970 CD LYS A 66 -14.010 -3.608 -1.298 1.00 2.09 C ATOM 971 CE LYS A 66 -14.516 -5.058 -1.354 1.00 3.11 C ATOM 972 NZ LYS A 66 -15.270 -5.326 -2.597 1.00 4.56 N ATOM 0 H LYS A 66 -9.657 -4.224 0.136 1.00 0.40 H new ATOM 0 HA LYS A 66 -11.667 -4.994 -1.652 1.00 0.46 H new ATOM 0 HB2 LYS A 66 -10.931 -2.650 -0.036 1.00 0.51 H new ATOM 0 HB3 LYS A 66 -11.738 -2.201 -1.526 1.00 0.51 H new ATOM 0 HG2 LYS A 66 -12.837 -4.318 0.380 1.00 0.64 H new ATOM 0 HG3 LYS A 66 -13.272 -2.623 0.485 1.00 0.64 H new ATOM 0 HD2 LYS A 66 -14.851 -2.939 -1.115 1.00 2.09 H new ATOM 0 HD3 LYS A 66 -13.590 -3.334 -2.266 1.00 2.09 H new ATOM 0 HE2 LYS A 66 -13.670 -5.742 -1.287 1.00 3.11 H new ATOM 0 HE3 LYS A 66 -15.154 -5.255 -0.492 1.00 3.11 H new ATOM 0 HZ1 LYS A 66 -15.596 -6.314 -2.599 1.00 4.56 H new ATOM 0 HZ2 LYS A 66 -16.092 -4.691 -2.648 1.00 4.56 H new ATOM 0 HZ3 LYS A 66 -14.654 -5.163 -3.419 1.00 4.56 H new ATOM 986 N LEU A 67 -9.262 -3.389 -3.155 1.00 0.39 N ATOM 987 CA LEU A 67 -8.637 -3.113 -4.443 1.00 0.42 C ATOM 988 C LEU A 67 -8.302 -4.402 -5.205 1.00 0.43 C ATOM 989 O LEU A 67 -8.107 -4.355 -6.420 1.00 0.46 O ATOM 990 CB LEU A 67 -7.382 -2.254 -4.229 1.00 0.40 C ATOM 991 CG LEU A 67 -7.727 -0.779 -3.950 1.00 0.52 C ATOM 992 CD1 LEU A 67 -6.623 -0.105 -3.124 1.00 0.52 C ATOM 993 CD2 LEU A 67 -7.919 -0.020 -5.270 1.00 0.66 C ATOM 0 H LEU A 67 -8.641 -3.189 -2.371 1.00 0.39 H new ATOM 0 HA LEU A 67 -9.348 -2.562 -5.059 1.00 0.42 H new ATOM 0 HB2 LEU A 67 -6.807 -2.655 -3.394 1.00 0.40 H new ATOM 0 HB3 LEU A 67 -6.746 -2.316 -5.112 1.00 0.40 H new ATOM 0 HG LEU A 67 -8.655 -0.752 -3.379 1.00 0.52 H new ATOM 0 HD11 LEU A 67 -6.890 0.936 -2.940 1.00 0.52 H new ATOM 0 HD12 LEU A 67 -6.512 -0.625 -2.172 1.00 0.52 H new ATOM 0 HD13 LEU A 67 -5.682 -0.147 -3.672 1.00 0.52 H new ATOM 0 HD21 LEU A 67 -8.162 1.021 -5.059 1.00 0.66 H new ATOM 0 HD22 LEU A 67 -7.000 -0.067 -5.854 1.00 0.66 H new ATOM 0 HD23 LEU A 67 -8.732 -0.475 -5.836 1.00 0.66 H new ATOM 1005 N GLY A 68 -8.227 -5.539 -4.508 1.00 0.44 N ATOM 1006 CA GLY A 68 -8.005 -6.857 -5.078 1.00 0.49 C ATOM 1007 C GLY A 68 -6.531 -7.244 -5.026 1.00 0.46 C ATOM 1008 O GLY A 68 -6.001 -7.736 -6.020 1.00 0.48 O ATOM 0 H GLY A 68 -8.324 -5.560 -3.493 1.00 0.44 H new ATOM 0 HA2 GLY A 68 -8.596 -7.594 -4.535 1.00 0.49 H new ATOM 0 HA3 GLY A 68 -8.350 -6.871 -6.112 1.00 0.49 H new ATOM 1012 N TYR A 69 -5.870 -7.022 -3.885 1.00 0.44 N ATOM 1013 CA TYR A 69 -4.452 -7.299 -3.692 1.00 0.42 C ATOM 1014 C TYR A 69 -4.205 -7.880 -2.302 1.00 0.42 C ATOM 1015 O TYR A 69 -5.112 -7.897 -1.474 1.00 0.43 O ATOM 1016 CB TYR A 69 -3.677 -5.991 -3.858 1.00 0.40 C ATOM 1017 CG TYR A 69 -2.790 -6.027 -5.071 1.00 0.41 C ATOM 1018 CD1 TYR A 69 -3.346 -5.858 -6.350 1.00 1.69 C ATOM 1019 CD2 TYR A 69 -1.416 -6.274 -4.930 1.00 2.01 C ATOM 1020 CE1 TYR A 69 -2.506 -5.754 -7.467 1.00 1.70 C ATOM 1021 CE2 TYR A 69 -0.576 -6.123 -6.041 1.00 2.02 C ATOM 1022 CZ TYR A 69 -1.114 -5.827 -7.302 1.00 0.52 C ATOM 1023 OH TYR A 69 -0.271 -5.557 -8.337 1.00 0.64 O ATOM 0 H TYR A 69 -6.320 -6.636 -3.055 1.00 0.44 H new ATOM 0 HA TYR A 69 -4.117 -8.030 -4.428 1.00 0.42 H new ATOM 0 HB2 TYR A 69 -4.377 -5.160 -3.942 1.00 0.40 H new ATOM 0 HB3 TYR A 69 -3.073 -5.809 -2.969 1.00 0.40 H new ATOM 0 HD1 TYR A 69 -4.418 -5.808 -6.472 1.00 1.69 H new ATOM 0 HD2 TYR A 69 -1.011 -6.577 -3.976 1.00 2.01 H new ATOM 0 HE1 TYR A 69 -2.928 -5.618 -8.452 1.00 1.70 H new ATOM 0 HE2 TYR A 69 0.492 -6.235 -5.926 1.00 2.02 H new ATOM 0 HH TYR A 69 -0.705 -5.795 -9.183 1.00 0.64 H new ATOM 1033 N HIS A 70 -2.965 -8.307 -2.023 1.00 0.44 N ATOM 1034 CA HIS A 70 -2.562 -8.720 -0.686 1.00 0.44 C ATOM 1035 C HIS A 70 -1.051 -8.489 -0.511 1.00 0.49 C ATOM 1036 O HIS A 70 -0.254 -8.938 -1.334 1.00 0.74 O ATOM 1037 CB HIS A 70 -2.984 -10.182 -0.451 1.00 0.46 C ATOM 1038 CG HIS A 70 -3.475 -10.473 0.950 1.00 0.78 C ATOM 1039 ND1 HIS A 70 -4.692 -11.019 1.295 1.00 2.05 N ATOM 1040 CD2 HIS A 70 -2.821 -10.193 2.119 1.00 1.95 C ATOM 1041 CE1 HIS A 70 -4.736 -11.104 2.636 1.00 1.97 C ATOM 1042 NE2 HIS A 70 -3.617 -10.610 3.186 1.00 1.77 N ATOM 0 H HIS A 70 -2.222 -8.373 -2.719 1.00 0.44 H new ATOM 0 HA HIS A 70 -3.064 -8.120 0.073 1.00 0.44 H new ATOM 0 HB2 HIS A 70 -3.772 -10.438 -1.160 1.00 0.46 H new ATOM 0 HB3 HIS A 70 -2.136 -10.832 -0.668 1.00 0.46 H new ATOM 0 HD1 HIS A 70 -5.427 -11.307 0.649 1.00 2.05 H new ATOM 0 HD2 HIS A 70 -1.850 -9.727 2.202 1.00 1.95 H new ATOM 0 HE1 HIS A 70 -5.563 -11.515 3.196 1.00 1.97 H new ATOM 1050 N VAL A 71 -0.648 -7.771 0.542 1.00 0.60 N ATOM 1051 CA VAL A 71 0.749 -7.582 0.901 1.00 0.69 C ATOM 1052 C VAL A 71 1.233 -8.776 1.729 1.00 0.79 C ATOM 1053 O VAL A 71 0.419 -9.544 2.232 1.00 1.00 O ATOM 1054 CB VAL A 71 0.914 -6.257 1.666 1.00 0.93 C ATOM 1055 CG1 VAL A 71 0.692 -5.066 0.732 1.00 2.44 C ATOM 1056 CG2 VAL A 71 0.013 -6.120 2.902 1.00 1.82 C ATOM 0 H VAL A 71 -1.297 -7.301 1.173 1.00 0.60 H new ATOM 0 HA VAL A 71 1.361 -7.527 0.000 1.00 0.69 H new ATOM 0 HB VAL A 71 1.939 -6.265 2.036 1.00 0.93 H new ATOM 0 HG11 VAL A 71 0.813 -4.138 1.291 1.00 2.44 H new ATOM 0 HG12 VAL A 71 1.420 -5.099 -0.079 1.00 2.44 H new ATOM 0 HG13 VAL A 71 -0.315 -5.111 0.317 1.00 2.44 H new ATOM 0 HG21 VAL A 71 0.195 -5.157 3.380 1.00 1.82 H new ATOM 0 HG22 VAL A 71 -1.032 -6.183 2.599 1.00 1.82 H new ATOM 0 HG23 VAL A 71 0.236 -6.922 3.606 1.00 1.82 H new ATOM 1066 N VAL A 72 2.546 -8.949 1.892 1.00 0.72 N ATOM 1067 CA VAL A 72 3.097 -10.012 2.726 1.00 0.73 C ATOM 1068 C VAL A 72 4.041 -9.396 3.754 1.00 0.75 C ATOM 1069 O VAL A 72 4.816 -8.490 3.432 1.00 0.80 O ATOM 1070 CB VAL A 72 3.768 -11.118 1.901 1.00 0.74 C ATOM 1071 CG1 VAL A 72 3.772 -12.442 2.676 1.00 0.78 C ATOM 1072 CG2 VAL A 72 3.097 -11.343 0.539 1.00 1.06 C ATOM 0 H VAL A 72 3.251 -8.359 1.451 1.00 0.72 H new ATOM 0 HA VAL A 72 2.280 -10.507 3.250 1.00 0.73 H new ATOM 0 HB VAL A 72 4.788 -10.780 1.719 1.00 0.74 H new ATOM 0 HG11 VAL A 72 4.252 -13.214 2.075 1.00 0.78 H new ATOM 0 HG12 VAL A 72 4.321 -12.316 3.609 1.00 0.78 H new ATOM 0 HG13 VAL A 72 2.746 -12.738 2.895 1.00 0.78 H new ATOM 0 HG21 VAL A 72 3.617 -12.137 0.004 1.00 1.06 H new ATOM 0 HG22 VAL A 72 2.056 -11.628 0.689 1.00 1.06 H new ATOM 0 HG23 VAL A 72 3.141 -10.423 -0.044 1.00 1.06 H new ATOM 1082 N ILE A 73 3.935 -9.860 5.001 1.00 0.76 N ATOM 1083 CA ILE A 73 4.619 -9.274 6.142 1.00 0.82 C ATOM 1084 C ILE A 73 5.829 -10.137 6.505 1.00 0.87 C ATOM 1085 O ILE A 73 5.844 -10.807 7.535 1.00 0.94 O ATOM 1086 CB ILE A 73 3.652 -9.090 7.319 1.00 0.95 C ATOM 1087 CG1 ILE A 73 2.271 -8.573 6.894 1.00 1.25 C ATOM 1088 CG2 ILE A 73 4.294 -8.127 8.330 1.00 0.87 C ATOM 1089 CD1 ILE A 73 2.258 -7.240 6.142 1.00 1.00 C ATOM 0 H ILE A 73 3.361 -10.667 5.244 1.00 0.76 H new ATOM 0 HA ILE A 73 4.983 -8.279 5.884 1.00 0.82 H new ATOM 0 HB ILE A 73 3.480 -10.069 7.767 1.00 0.95 H new ATOM 0 HG12 ILE A 73 1.800 -9.328 6.264 1.00 1.25 H new ATOM 0 HG13 ILE A 73 1.653 -8.471 7.786 1.00 1.25 H new ATOM 0 HG21 ILE A 73 3.620 -7.984 9.175 1.00 0.87 H new ATOM 0 HG22 ILE A 73 5.236 -8.546 8.684 1.00 0.87 H new ATOM 0 HG23 ILE A 73 4.482 -7.167 7.849 1.00 0.87 H new ATOM 0 HD11 ILE A 73 1.231 -6.973 5.892 1.00 1.00 H new ATOM 0 HD12 ILE A 73 2.692 -6.463 6.771 1.00 1.00 H new ATOM 0 HD13 ILE A 73 2.842 -7.333 5.226 1.00 1.00 H new ATOM 1101 N GLU A 74 6.867 -10.102 5.670 1.00 0.90 N ATOM 1102 CA GLU A 74 8.052 -10.930 5.802 1.00 1.07 C ATOM 1103 C GLU A 74 8.990 -10.531 6.949 1.00 1.31 C ATOM 1104 O GLU A 74 10.045 -11.130 7.133 1.00 1.50 O ATOM 1105 CB GLU A 74 8.774 -10.967 4.456 1.00 1.07 C ATOM 1106 CG GLU A 74 8.194 -12.036 3.517 1.00 1.14 C ATOM 1107 CD GLU A 74 8.663 -13.432 3.915 1.00 1.75 C ATOM 1108 OE1 GLU A 74 9.818 -13.756 3.567 1.00 2.61 O ATOM 1109 OE2 GLU A 74 7.865 -14.137 4.569 1.00 2.75 O ATOM 0 H GLU A 74 6.902 -9.478 4.864 1.00 0.90 H new ATOM 0 HA GLU A 74 7.720 -11.930 6.080 1.00 1.07 H new ATOM 0 HB2 GLU A 74 8.702 -9.989 3.980 1.00 1.07 H new ATOM 0 HB3 GLU A 74 9.833 -11.165 4.619 1.00 1.07 H new ATOM 0 HG2 GLU A 74 7.105 -11.994 3.542 1.00 1.14 H new ATOM 0 HG3 GLU A 74 8.497 -11.826 2.491 1.00 1.14 H new ATOM 1116 N GLY A 75 8.609 -9.516 7.719 1.00 1.44 N ATOM 1117 CA GLY A 75 9.425 -8.963 8.789 1.00 1.80 C ATOM 1118 C GLY A 75 10.578 -8.170 8.177 1.00 2.61 C ATOM 1119 O GLY A 75 11.682 -8.684 8.020 1.00 3.56 O ATOM 0 H GLY A 75 7.709 -9.048 7.613 1.00 1.44 H new ATOM 0 HA2 GLY A 75 8.822 -8.318 9.427 1.00 1.80 H new ATOM 0 HA3 GLY A 75 9.812 -9.764 9.420 1.00 1.80 H new ATOM 1123 N ARG A 76 10.300 -6.921 7.801 1.00 3.45 N ATOM 1124 CA ARG A 76 11.211 -6.035 7.101 1.00 5.40 C ATOM 1125 C ARG A 76 11.026 -4.641 7.697 1.00 6.18 C ATOM 1126 O ARG A 76 9.976 -4.452 8.354 1.00 6.19 O ATOM 1127 CB ARG A 76 10.859 -6.055 5.603 1.00 6.60 C ATOM 1128 CG ARG A 76 12.087 -6.183 4.698 1.00 8.68 C ATOM 1129 CD ARG A 76 12.909 -4.893 4.634 1.00 9.96 C ATOM 1130 NE ARG A 76 14.045 -5.060 3.713 1.00 11.64 N ATOM 1131 CZ ARG A 76 14.668 -4.077 3.046 1.00 12.99 C ATOM 1132 NH1 ARG A 76 14.321 -2.802 3.253 1.00 13.00 N ATOM 1133 NH2 ARG A 76 15.636 -4.380 2.174 1.00 14.58 N ATOM 1134 OXT ARG A 76 11.921 -3.796 7.475 1.00 7.30 O ATOM 0 H ARG A 76 9.395 -6.488 7.987 1.00 3.45 H new ATOM 0 HA ARG A 76 12.251 -6.342 7.208 1.00 5.40 H new ATOM 0 HB2 ARG A 76 10.182 -6.886 5.406 1.00 6.60 H new ATOM 0 HB3 ARG A 76 10.323 -5.141 5.350 1.00 6.60 H new ATOM 0 HG2 ARG A 76 12.718 -6.994 5.061 1.00 8.68 H new ATOM 0 HG3 ARG A 76 11.766 -6.455 3.693 1.00 8.68 H new ATOM 0 HD2 ARG A 76 12.279 -4.068 4.301 1.00 9.96 H new ATOM 0 HD3 ARG A 76 13.273 -4.635 5.629 1.00 9.96 H new ATOM 0 HE ARG A 76 14.390 -6.009 3.569 1.00 11.64 H new ATOM 0 HH11 ARG A 76 13.582 -2.576 3.919 1.00 13.00 H new ATOM 0 HH12 ARG A 76 14.796 -2.055 2.745 1.00 13.00 H new ATOM 0 HH21 ARG A 76 15.897 -5.354 2.019 1.00 14.58 H new ATOM 0 HH22 ARG A 76 16.114 -3.637 1.664 1.00 14.58 H new TER 1148 ARG A 76 HETATM 1149 CU CU A 77 -1.938 -5.642 -13.676 1.00 1.37 CU