USER MOD reduce.3.24.130724 H: found=0, std=0, add=693, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 691 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 66 GLN : amide:sc= 0.0148 K(o=1.5,f=-24!) USER MOD Set 1.2: A 70 LYS NZ :NH3+ 159:sc= 1.49! (180deg=0.0473!) USER MOD Set 2.1: A 6 MET CE :methyl -162:sc= 0 (180deg=0) USER MOD Set 2.2: A 9 SER OG : rot 180:sc= 0 USER MOD Set 3.1: A 1 GLY N :NH3+ 145:sc= 2.15 (180deg=1.69) USER MOD Set 3.2: A 4 SER OG : rot -84:sc= 1.29 USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 8 HIS : no HE2:sc= 1.14 K(o=1.1,f=-4.5!) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 THR OG1 : rot 180:sc= 0.0905 USER MOD Single : A 16 THR OG1 : rot 109:sc= 1.04 USER MOD Single : A 34 CYS SG : rot 180:sc= 0 USER MOD Single : A 36 CYS SG : rot -171:sc= -1.21 USER MOD Single : A 37 TYR OH : rot -132:sc= 1.33 USER MOD Single : A 41 GLN : amide:sc= -1.79 K(o=-1.8,f=-8.6!) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 45 GLN : amide:sc= 0.0196 K(o=0.02,f=-10!) USER MOD Single : A 46 SER OG : rot 120:sc= 0.445 USER MOD Single : A 51 SER OG : rot -157:sc= 0.929 USER MOD Single : A 58 THR OG1 : rot 104:sc= 1.34 USER MOD Single : A 59 LYS NZ :NH3+ -98:sc= 0.922 (180deg=-1.37!) USER MOD Single : A 67 TYR OH : rot -151:sc= 1.26 USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 73 CYS SG : rot 180:sc= 0 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 LYS NZ :NH3+ 175:sc= 0.944 (180deg=0.76) USER MOD Single : A 81 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 82 THR OG1 : rot 58:sc= 1.23 USER MOD Single : A 84 ASN : amide:sc= 0.959 K(o=0.96,f=-0.27) USER MOD Single : A 89 HIS : no HE2:sc= 0.823 K(o=0.82,f=-6.6!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -5.483 -29.970 -17.001 1.00 5.16 N ATOM 2 CA GLY A 1 -5.182 -28.922 -18.020 1.00 5.18 C ATOM 3 C GLY A 1 -6.425 -28.661 -18.868 1.00 5.25 C ATOM 4 O GLY A 1 -7.380 -28.056 -18.414 1.00 5.12 O ATOM 0 H1 GLY A 1 -4.639 -30.557 -16.847 1.00 5.16 H new ATOM 0 H2 GLY A 1 -5.756 -29.516 -16.106 1.00 5.16 H new ATOM 0 H3 GLY A 1 -6.264 -30.568 -17.338 1.00 5.16 H new ATOM 0 HA2 GLY A 1 -4.865 -28.002 -17.528 1.00 5.18 H new ATOM 0 HA3 GLY A 1 -4.357 -29.244 -18.655 1.00 5.18 H new ATOM 10 N SER A 2 -6.425 -29.121 -20.094 1.00 5.54 N ATOM 11 CA SER A 2 -7.616 -28.911 -20.973 1.00 5.65 C ATOM 12 C SER A 2 -8.861 -29.465 -20.281 1.00 5.63 C ATOM 13 O SER A 2 -8.892 -30.615 -19.874 1.00 5.78 O ATOM 14 CB SER A 2 -7.322 -29.682 -22.258 1.00 6.05 C ATOM 15 OG SER A 2 -8.148 -29.174 -23.299 1.00 6.12 O ATOM 0 H SER A 2 -5.654 -29.632 -20.524 1.00 5.54 H new ATOM 0 HA SER A 2 -7.799 -27.857 -21.181 1.00 5.65 H new ATOM 0 HB2 SER A 2 -6.271 -29.580 -22.527 1.00 6.05 H new ATOM 0 HB3 SER A 2 -7.511 -30.745 -22.111 1.00 6.05 H new ATOM 0 HG SER A 2 -7.965 -29.662 -24.129 1.00 6.12 H new ATOM 21 N MET A 3 -9.874 -28.646 -20.117 1.00 5.56 N ATOM 22 CA MET A 3 -11.122 -29.095 -19.425 1.00 5.70 C ATOM 23 C MET A 3 -10.785 -29.797 -18.090 1.00 5.68 C ATOM 24 O MET A 3 -11.527 -30.632 -17.612 1.00 5.97 O ATOM 25 CB MET A 3 -11.780 -30.059 -20.410 1.00 6.04 C ATOM 26 CG MET A 3 -12.387 -29.274 -21.575 1.00 6.07 C ATOM 27 SD MET A 3 -13.354 -30.391 -22.626 1.00 6.29 S ATOM 28 CE MET A 3 -14.753 -29.278 -22.912 1.00 6.60 C ATOM 0 H MET A 3 -9.888 -27.677 -20.436 1.00 5.56 H new ATOM 0 HA MET A 3 -11.779 -28.265 -19.167 1.00 5.70 H new ATOM 0 HB2 MET A 3 -11.044 -30.771 -20.783 1.00 6.04 H new ATOM 0 HB3 MET A 3 -12.555 -30.637 -19.906 1.00 6.04 H new ATOM 0 HG2 MET A 3 -13.023 -28.475 -21.195 1.00 6.07 H new ATOM 0 HG3 MET A 3 -11.597 -28.802 -22.159 1.00 6.07 H new ATOM 0 HE1 MET A 3 -15.486 -29.772 -23.549 1.00 6.60 H new ATOM 0 HE2 MET A 3 -15.215 -29.022 -21.959 1.00 6.60 H new ATOM 0 HE3 MET A 3 -14.401 -28.369 -23.401 1.00 6.60 H new ATOM 38 N SER A 4 -9.664 -29.460 -17.496 1.00 5.40 N ATOM 39 CA SER A 4 -9.254 -30.089 -16.209 1.00 5.40 C ATOM 40 C SER A 4 -8.391 -29.103 -15.408 1.00 5.06 C ATOM 41 O SER A 4 -7.174 -29.137 -15.464 1.00 4.91 O ATOM 42 CB SER A 4 -8.446 -31.336 -16.605 1.00 5.62 C ATOM 43 OG SER A 4 -7.580 -31.037 -17.704 1.00 5.53 O ATOM 0 H SER A 4 -9.010 -28.766 -17.857 1.00 5.40 H new ATOM 0 HA SER A 4 -10.105 -30.354 -15.581 1.00 5.40 H new ATOM 0 HB2 SER A 4 -7.859 -31.683 -15.754 1.00 5.62 H new ATOM 0 HB3 SER A 4 -9.123 -32.146 -16.876 1.00 5.62 H new ATOM 0 HG SER A 4 -8.077 -31.120 -18.544 1.00 5.53 H new ATOM 49 N ILE A 5 -9.016 -28.210 -14.679 1.00 5.02 N ATOM 50 CA ILE A 5 -8.244 -27.205 -13.881 1.00 4.76 C ATOM 51 C ILE A 5 -7.284 -27.900 -12.901 1.00 4.68 C ATOM 52 O ILE A 5 -7.217 -29.115 -12.830 1.00 4.88 O ATOM 53 CB ILE A 5 -9.287 -26.350 -13.125 1.00 4.96 C ATOM 54 CG1 ILE A 5 -10.370 -27.221 -12.468 1.00 5.36 C ATOM 55 CG2 ILE A 5 -9.966 -25.380 -14.101 1.00 5.09 C ATOM 56 CD1 ILE A 5 -9.751 -28.240 -11.508 1.00 5.41 C ATOM 0 H ILE A 5 -10.030 -28.133 -14.602 1.00 5.02 H new ATOM 0 HA ILE A 5 -7.626 -26.583 -14.529 1.00 4.76 H new ATOM 0 HB ILE A 5 -8.758 -25.804 -12.344 1.00 4.96 H new ATOM 0 HG12 ILE A 5 -11.072 -26.587 -11.927 1.00 5.36 H new ATOM 0 HG13 ILE A 5 -10.939 -27.742 -13.238 1.00 5.36 H new ATOM 0 HG21 ILE A 5 -10.700 -24.779 -13.565 1.00 5.09 H new ATOM 0 HG22 ILE A 5 -9.216 -24.725 -14.545 1.00 5.09 H new ATOM 0 HG23 ILE A 5 -10.465 -25.946 -14.888 1.00 5.09 H new ATOM 0 HD11 ILE A 5 -10.540 -28.842 -11.058 1.00 5.41 H new ATOM 0 HD12 ILE A 5 -9.068 -28.889 -12.057 1.00 5.41 H new ATOM 0 HD13 ILE A 5 -9.203 -27.716 -10.725 1.00 5.41 H new ATOM 68 N MET A 6 -6.542 -27.125 -12.147 1.00 4.47 N ATOM 69 CA MET A 6 -5.560 -27.702 -11.162 1.00 4.42 C ATOM 70 C MET A 6 -4.461 -28.485 -11.880 1.00 4.41 C ATOM 71 O MET A 6 -3.316 -28.064 -11.877 1.00 4.25 O ATOM 72 CB MET A 6 -6.386 -28.612 -10.237 1.00 4.78 C ATOM 73 CG MET A 6 -6.061 -28.316 -8.768 1.00 4.93 C ATOM 74 SD MET A 6 -6.261 -29.833 -7.799 1.00 5.51 S ATOM 75 CE MET A 6 -6.624 -29.057 -6.201 1.00 6.00 C ATOM 0 H MET A 6 -6.572 -26.106 -12.169 1.00 4.47 H new ATOM 0 HA MET A 6 -5.051 -26.922 -10.596 1.00 4.42 H new ATOM 0 HB2 MET A 6 -7.450 -28.457 -10.419 1.00 4.78 H new ATOM 0 HB3 MET A 6 -6.173 -29.658 -10.460 1.00 4.78 H new ATOM 0 HG2 MET A 6 -5.041 -27.943 -8.676 1.00 4.93 H new ATOM 0 HG3 MET A 6 -6.721 -27.537 -8.387 1.00 4.93 H new ATOM 0 HE1 MET A 6 -6.469 -29.781 -5.401 1.00 6.00 H new ATOM 0 HE2 MET A 6 -5.962 -28.204 -6.052 1.00 6.00 H new ATOM 0 HE3 MET A 6 -7.660 -28.718 -6.188 1.00 6.00 H new ATOM 85 N ASP A 7 -4.786 -29.606 -12.485 1.00 4.71 N ATOM 86 CA ASP A 7 -3.759 -30.431 -13.207 1.00 4.91 C ATOM 87 C ASP A 7 -2.681 -30.943 -12.234 1.00 4.98 C ATOM 88 O ASP A 7 -2.470 -32.133 -12.096 1.00 5.36 O ATOM 89 CB ASP A 7 -3.150 -29.483 -14.249 1.00 4.76 C ATOM 90 CG ASP A 7 -2.449 -30.297 -15.330 1.00 5.16 C ATOM 91 OD1 ASP A 7 -3.120 -30.685 -16.274 1.00 5.35 O ATOM 92 OD2 ASP A 7 -1.257 -30.517 -15.195 1.00 5.33 O ATOM 0 H ASP A 7 -5.731 -29.989 -12.510 1.00 4.71 H new ATOM 0 HA ASP A 7 -4.198 -31.316 -13.667 1.00 4.91 H new ATOM 0 HB2 ASP A 7 -3.930 -28.865 -14.693 1.00 4.76 H new ATOM 0 HB3 ASP A 7 -2.441 -28.807 -13.771 1.00 4.76 H new ATOM 97 N HIS A 8 -2.015 -30.049 -11.554 1.00 4.66 N ATOM 98 CA HIS A 8 -0.954 -30.463 -10.582 1.00 4.77 C ATOM 99 C HIS A 8 -1.175 -29.780 -9.217 1.00 4.43 C ATOM 100 O HIS A 8 -0.410 -29.982 -8.294 1.00 4.44 O ATOM 101 CB HIS A 8 0.365 -29.986 -11.213 1.00 4.82 C ATOM 102 CG HIS A 8 0.962 -31.066 -12.083 1.00 5.33 C ATOM 103 ND1 HIS A 8 0.520 -31.315 -13.376 1.00 5.56 N ATOM 104 CD2 HIS A 8 1.991 -31.950 -11.867 1.00 5.72 C ATOM 105 CE1 HIS A 8 1.276 -32.309 -13.880 1.00 6.05 C ATOM 106 NE2 HIS A 8 2.189 -32.731 -13.002 1.00 6.17 N ATOM 0 H HIS A 8 -2.159 -29.042 -11.629 1.00 4.66 H new ATOM 0 HA HIS A 8 -0.960 -31.538 -10.400 1.00 4.77 H new ATOM 0 HB2 HIS A 8 0.186 -29.090 -11.808 1.00 4.82 H new ATOM 0 HB3 HIS A 8 1.071 -29.712 -10.429 1.00 4.82 H new ATOM 0 HD1 HIS A 8 -0.239 -30.833 -13.857 1.00 5.56 H new ATOM 0 HD2 HIS A 8 2.561 -32.027 -10.953 1.00 5.72 H new ATOM 0 HE1 HIS A 8 1.158 -32.715 -14.874 1.00 6.05 H new ATOM 114 N SER A 9 -2.210 -28.964 -9.086 1.00 4.19 N ATOM 115 CA SER A 9 -2.479 -28.250 -7.792 1.00 3.91 C ATOM 116 C SER A 9 -1.188 -27.628 -7.246 1.00 3.73 C ATOM 117 O SER A 9 -0.654 -28.076 -6.245 1.00 3.73 O ATOM 118 CB SER A 9 -3.015 -29.312 -6.832 1.00 4.09 C ATOM 119 OG SER A 9 -3.471 -28.674 -5.642 1.00 3.93 O ATOM 0 H SER A 9 -2.880 -28.765 -9.829 1.00 4.19 H new ATOM 0 HA SER A 9 -3.192 -27.436 -7.923 1.00 3.91 H new ATOM 0 HB2 SER A 9 -3.830 -29.865 -7.299 1.00 4.09 H new ATOM 0 HB3 SER A 9 -2.234 -30.035 -6.596 1.00 4.09 H new ATOM 0 HG SER A 9 -3.818 -29.349 -5.021 1.00 3.93 H new ATOM 125 N PRO A 10 -0.720 -26.610 -7.929 1.00 3.65 N ATOM 126 CA PRO A 10 0.532 -25.927 -7.511 1.00 3.56 C ATOM 127 C PRO A 10 0.338 -25.165 -6.194 1.00 3.22 C ATOM 128 O PRO A 10 0.456 -23.953 -6.139 1.00 3.08 O ATOM 129 CB PRO A 10 0.821 -24.977 -8.668 1.00 3.64 C ATOM 130 CG PRO A 10 -0.508 -24.735 -9.308 1.00 3.62 C ATOM 131 CD PRO A 10 -1.304 -25.999 -9.133 1.00 3.70 C ATOM 0 HA PRO A 10 1.351 -26.621 -7.320 1.00 3.56 H new ATOM 0 HB2 PRO A 10 1.264 -24.046 -8.314 1.00 3.64 H new ATOM 0 HB3 PRO A 10 1.525 -25.417 -9.374 1.00 3.64 H new ATOM 0 HG2 PRO A 10 -1.015 -23.890 -8.842 1.00 3.62 H new ATOM 0 HG3 PRO A 10 -0.391 -24.493 -10.364 1.00 3.62 H new ATOM 0 HD2 PRO A 10 -2.366 -25.790 -9.002 1.00 3.70 H new ATOM 0 HD3 PRO A 10 -1.213 -26.654 -10.000 1.00 3.70 H new ATOM 139 N THR A 11 0.058 -25.871 -5.130 1.00 3.12 N ATOM 140 CA THR A 11 -0.129 -25.196 -3.804 1.00 2.82 C ATOM 141 C THR A 11 1.132 -24.396 -3.447 1.00 2.78 C ATOM 142 O THR A 11 1.050 -23.291 -2.956 1.00 2.58 O ATOM 143 CB THR A 11 -0.393 -26.317 -2.785 1.00 2.80 C ATOM 144 OG1 THR A 11 -0.654 -25.744 -1.515 1.00 2.57 O ATOM 145 CG2 THR A 11 0.818 -27.244 -2.677 1.00 3.03 C ATOM 0 H THR A 11 -0.050 -26.885 -5.118 1.00 3.12 H new ATOM 0 HA THR A 11 -0.960 -24.490 -3.816 1.00 2.82 H new ATOM 0 HB THR A 11 -1.252 -26.898 -3.120 1.00 2.80 H new ATOM 0 HG1 THR A 11 -0.824 -26.456 -0.864 1.00 2.57 H new ATOM 0 HG21 THR A 11 0.611 -28.030 -1.951 1.00 3.03 H new ATOM 0 HG22 THR A 11 1.021 -27.692 -3.650 1.00 3.03 H new ATOM 0 HG23 THR A 11 1.687 -26.671 -2.353 1.00 3.03 H new ATOM 153 N THR A 12 2.300 -24.926 -3.728 1.00 3.01 N ATOM 154 CA THR A 12 3.563 -24.176 -3.438 1.00 3.06 C ATOM 155 C THR A 12 3.607 -22.906 -4.287 1.00 3.04 C ATOM 156 O THR A 12 3.965 -21.841 -3.819 1.00 2.94 O ATOM 157 CB THR A 12 4.696 -25.127 -3.836 1.00 3.41 C ATOM 158 OG1 THR A 12 4.331 -25.833 -5.016 1.00 3.61 O ATOM 159 CG2 THR A 12 4.948 -26.126 -2.708 1.00 3.44 C ATOM 0 H THR A 12 2.432 -25.847 -4.146 1.00 3.01 H new ATOM 0 HA THR A 12 3.641 -23.875 -2.393 1.00 3.06 H new ATOM 0 HB THR A 12 5.602 -24.550 -4.020 1.00 3.41 H new ATOM 0 HG1 THR A 12 5.057 -26.440 -5.272 1.00 3.61 H new ATOM 0 HG21 THR A 12 5.754 -26.801 -2.994 1.00 3.44 H new ATOM 0 HG22 THR A 12 5.228 -25.589 -1.802 1.00 3.44 H new ATOM 0 HG23 THR A 12 4.041 -26.702 -2.522 1.00 3.44 H new ATOM 167 N GLY A 13 3.221 -23.018 -5.529 1.00 3.15 N ATOM 168 CA GLY A 13 3.202 -21.827 -6.432 1.00 3.16 C ATOM 169 C GLY A 13 2.066 -20.903 -6.008 1.00 2.84 C ATOM 170 O GLY A 13 2.268 -19.722 -5.791 1.00 2.72 O ATOM 0 H GLY A 13 2.915 -23.890 -5.962 1.00 3.15 H new ATOM 0 HA2 GLY A 13 4.155 -21.300 -6.381 1.00 3.16 H new ATOM 0 HA3 GLY A 13 3.066 -22.141 -7.467 1.00 3.16 H new ATOM 174 N VAL A 14 0.873 -21.436 -5.866 1.00 2.76 N ATOM 175 CA VAL A 14 -0.281 -20.591 -5.428 1.00 2.50 C ATOM 176 C VAL A 14 0.057 -19.929 -4.088 1.00 2.25 C ATOM 177 O VAL A 14 -0.223 -18.768 -3.880 1.00 2.11 O ATOM 178 CB VAL A 14 -1.469 -21.553 -5.287 1.00 2.53 C ATOM 179 CG1 VAL A 14 -2.591 -20.884 -4.485 1.00 2.34 C ATOM 180 CG2 VAL A 14 -1.997 -21.916 -6.678 1.00 2.82 C ATOM 0 H VAL A 14 0.652 -22.417 -6.035 1.00 2.76 H new ATOM 0 HA VAL A 14 -0.510 -19.794 -6.135 1.00 2.50 H new ATOM 0 HB VAL A 14 -1.139 -22.453 -4.768 1.00 2.53 H new ATOM 0 HG11 VAL A 14 -3.430 -21.573 -4.389 1.00 2.34 H new ATOM 0 HG12 VAL A 14 -2.223 -20.621 -3.493 1.00 2.34 H new ATOM 0 HG13 VAL A 14 -2.919 -19.982 -5.001 1.00 2.34 H new ATOM 0 HG21 VAL A 14 -2.841 -22.599 -6.580 1.00 2.82 H new ATOM 0 HG22 VAL A 14 -2.321 -21.011 -7.192 1.00 2.82 H new ATOM 0 HG23 VAL A 14 -1.206 -22.397 -7.253 1.00 2.82 H new ATOM 190 N VAL A 15 0.686 -20.648 -3.190 1.00 2.25 N ATOM 191 CA VAL A 15 1.064 -20.037 -1.875 1.00 2.09 C ATOM 192 C VAL A 15 2.187 -19.024 -2.098 1.00 2.18 C ATOM 193 O VAL A 15 2.177 -17.940 -1.547 1.00 2.07 O ATOM 194 CB VAL A 15 1.521 -21.203 -0.982 1.00 2.18 C ATOM 195 CG1 VAL A 15 2.340 -20.676 0.204 1.00 2.22 C ATOM 196 CG2 VAL A 15 0.291 -21.940 -0.443 1.00 2.07 C ATOM 0 H VAL A 15 0.953 -21.625 -3.308 1.00 2.25 H new ATOM 0 HA VAL A 15 0.238 -19.503 -1.405 1.00 2.09 H new ATOM 0 HB VAL A 15 2.138 -21.879 -1.575 1.00 2.18 H new ATOM 0 HG11 VAL A 15 2.657 -21.512 0.828 1.00 2.22 H new ATOM 0 HG12 VAL A 15 3.218 -20.147 -0.167 1.00 2.22 H new ATOM 0 HG13 VAL A 15 1.728 -19.994 0.795 1.00 2.22 H new ATOM 0 HG21 VAL A 15 0.611 -22.767 0.190 1.00 2.07 H new ATOM 0 HG22 VAL A 15 -0.319 -21.251 0.141 1.00 2.07 H new ATOM 0 HG23 VAL A 15 -0.295 -22.327 -1.276 1.00 2.07 H new ATOM 206 N THR A 16 3.141 -19.360 -2.920 1.00 2.44 N ATOM 207 CA THR A 16 4.260 -18.408 -3.203 1.00 2.60 C ATOM 208 C THR A 16 3.693 -17.093 -3.738 1.00 2.46 C ATOM 209 O THR A 16 4.033 -16.026 -3.262 1.00 2.42 O ATOM 210 CB THR A 16 5.140 -19.094 -4.257 1.00 2.94 C ATOM 211 OG1 THR A 16 5.754 -20.238 -3.685 1.00 3.10 O ATOM 212 CG2 THR A 16 6.230 -18.133 -4.734 1.00 3.15 C ATOM 0 H THR A 16 3.198 -20.253 -3.410 1.00 2.44 H new ATOM 0 HA THR A 16 4.836 -18.173 -2.308 1.00 2.60 H new ATOM 0 HB THR A 16 4.518 -19.386 -5.103 1.00 2.94 H new ATOM 0 HG1 THR A 16 5.356 -21.048 -4.067 1.00 3.10 H new ATOM 0 HG21 THR A 16 6.850 -18.628 -5.482 1.00 3.15 H new ATOM 0 HG22 THR A 16 5.769 -17.248 -5.173 1.00 3.15 H new ATOM 0 HG23 THR A 16 6.850 -17.837 -3.888 1.00 3.15 H new ATOM 220 N VAL A 17 2.831 -17.163 -4.717 1.00 2.44 N ATOM 221 CA VAL A 17 2.245 -15.911 -5.281 1.00 2.35 C ATOM 222 C VAL A 17 1.343 -15.203 -4.258 1.00 2.05 C ATOM 223 O VAL A 17 1.436 -14.003 -4.107 1.00 2.00 O ATOM 224 CB VAL A 17 1.465 -16.308 -6.541 1.00 2.49 C ATOM 225 CG1 VAL A 17 2.423 -16.907 -7.573 1.00 2.82 C ATOM 226 CG2 VAL A 17 0.374 -17.330 -6.220 1.00 2.42 C ATOM 0 H VAL A 17 2.508 -18.029 -5.149 1.00 2.44 H new ATOM 0 HA VAL A 17 3.032 -15.199 -5.530 1.00 2.35 H new ATOM 0 HB VAL A 17 0.993 -15.410 -6.941 1.00 2.49 H new ATOM 0 HG11 VAL A 17 1.866 -17.188 -8.467 1.00 2.82 H new ATOM 0 HG12 VAL A 17 3.182 -16.170 -7.835 1.00 2.82 H new ATOM 0 HG13 VAL A 17 2.904 -17.790 -7.153 1.00 2.82 H new ATOM 0 HG21 VAL A 17 -0.160 -17.591 -7.134 1.00 2.42 H new ATOM 0 HG22 VAL A 17 0.828 -18.226 -5.797 1.00 2.42 H new ATOM 0 HG23 VAL A 17 -0.324 -16.903 -5.500 1.00 2.42 H new ATOM 236 N ILE A 18 0.486 -15.900 -3.534 1.00 1.92 N ATOM 237 CA ILE A 18 -0.361 -15.172 -2.535 1.00 1.72 C ATOM 238 C ILE A 18 0.525 -14.603 -1.426 1.00 1.70 C ATOM 239 O ILE A 18 0.231 -13.568 -0.868 1.00 1.64 O ATOM 240 CB ILE A 18 -1.388 -16.171 -1.979 1.00 1.68 C ATOM 241 CG1 ILE A 18 -0.696 -17.357 -1.302 1.00 1.71 C ATOM 242 CG2 ILE A 18 -2.281 -16.681 -3.109 1.00 1.84 C ATOM 243 CD1 ILE A 18 -1.552 -17.843 -0.129 1.00 1.69 C ATOM 0 H ILE A 18 0.342 -16.908 -3.591 1.00 1.92 H new ATOM 0 HA ILE A 18 -0.884 -14.334 -2.996 1.00 1.72 H new ATOM 0 HB ILE A 18 -1.993 -15.653 -1.235 1.00 1.68 H new ATOM 0 HG12 ILE A 18 -0.550 -18.165 -2.019 1.00 1.71 H new ATOM 0 HG13 ILE A 18 0.292 -17.062 -0.948 1.00 1.71 H new ATOM 0 HG21 ILE A 18 -3.007 -17.389 -2.708 1.00 1.84 H new ATOM 0 HG22 ILE A 18 -2.806 -15.842 -3.565 1.00 1.84 H new ATOM 0 HG23 ILE A 18 -1.668 -17.177 -3.862 1.00 1.84 H new ATOM 0 HD11 ILE A 18 -1.061 -18.688 0.354 1.00 1.69 H new ATOM 0 HD12 ILE A 18 -1.675 -17.034 0.591 1.00 1.69 H new ATOM 0 HD13 ILE A 18 -2.530 -18.154 -0.496 1.00 1.69 H new ATOM 255 N VAL A 19 1.623 -15.245 -1.128 1.00 1.84 N ATOM 256 CA VAL A 19 2.537 -14.701 -0.079 1.00 1.95 C ATOM 257 C VAL A 19 3.216 -13.438 -0.621 1.00 2.04 C ATOM 258 O VAL A 19 3.171 -12.393 0.002 1.00 2.04 O ATOM 259 CB VAL A 19 3.556 -15.812 0.217 1.00 2.16 C ATOM 260 CG1 VAL A 19 4.803 -15.214 0.876 1.00 2.42 C ATOM 261 CG2 VAL A 19 2.930 -16.829 1.173 1.00 2.10 C ATOM 0 H VAL A 19 1.926 -16.117 -1.562 1.00 1.84 H new ATOM 0 HA VAL A 19 2.013 -14.422 0.835 1.00 1.95 H new ATOM 0 HB VAL A 19 3.836 -16.298 -0.717 1.00 2.16 H new ATOM 0 HG11 VAL A 19 5.521 -16.007 1.083 1.00 2.42 H new ATOM 0 HG12 VAL A 19 5.254 -14.483 0.205 1.00 2.42 H new ATOM 0 HG13 VAL A 19 4.523 -14.726 1.809 1.00 2.42 H new ATOM 0 HG21 VAL A 19 3.650 -17.619 1.386 1.00 2.10 H new ATOM 0 HG22 VAL A 19 2.652 -16.332 2.102 1.00 2.10 H new ATOM 0 HG23 VAL A 19 2.042 -17.262 0.713 1.00 2.10 H new ATOM 271 N ILE A 20 3.819 -13.506 -1.791 1.00 2.17 N ATOM 272 CA ILE A 20 4.456 -12.281 -2.353 1.00 2.28 C ATOM 273 C ILE A 20 3.373 -11.235 -2.635 1.00 2.08 C ATOM 274 O ILE A 20 3.574 -10.056 -2.422 1.00 2.10 O ATOM 275 CB ILE A 20 5.194 -12.707 -3.635 1.00 2.50 C ATOM 276 CG1 ILE A 20 4.220 -13.276 -4.673 1.00 2.42 C ATOM 277 CG2 ILE A 20 6.247 -13.767 -3.298 1.00 2.72 C ATOM 278 CD1 ILE A 20 4.898 -13.297 -6.047 1.00 2.76 C ATOM 0 H ILE A 20 3.893 -14.345 -2.367 1.00 2.17 H new ATOM 0 HA ILE A 20 5.166 -11.830 -1.659 1.00 2.28 H new ATOM 0 HB ILE A 20 5.674 -11.824 -4.057 1.00 2.50 H new ATOM 0 HG12 ILE A 20 3.916 -14.284 -4.389 1.00 2.42 H new ATOM 0 HG13 ILE A 20 3.315 -12.669 -4.711 1.00 2.42 H new ATOM 0 HG21 ILE A 20 6.767 -14.066 -4.208 1.00 2.72 H new ATOM 0 HG22 ILE A 20 6.965 -13.354 -2.589 1.00 2.72 H new ATOM 0 HG23 ILE A 20 5.760 -14.636 -2.857 1.00 2.72 H new ATOM 0 HD11 ILE A 20 4.208 -13.701 -6.787 1.00 2.76 H new ATOM 0 HD12 ILE A 20 5.180 -12.283 -6.329 1.00 2.76 H new ATOM 0 HD13 ILE A 20 5.790 -13.922 -6.003 1.00 2.76 H new ATOM 290 N LEU A 21 2.212 -11.662 -3.068 1.00 1.93 N ATOM 291 CA LEU A 21 1.101 -10.690 -3.314 1.00 1.80 C ATOM 292 C LEU A 21 0.668 -10.083 -1.973 1.00 1.72 C ATOM 293 O LEU A 21 0.551 -8.879 -1.842 1.00 1.74 O ATOM 294 CB LEU A 21 -0.037 -11.506 -3.943 1.00 1.78 C ATOM 295 CG LEU A 21 0.151 -11.562 -5.462 1.00 1.96 C ATOM 296 CD1 LEU A 21 -0.726 -12.671 -6.046 1.00 2.07 C ATOM 297 CD2 LEU A 21 -0.254 -10.219 -6.076 1.00 2.06 C ATOM 0 H LEU A 21 1.986 -12.638 -3.261 1.00 1.93 H new ATOM 0 HA LEU A 21 1.394 -9.870 -3.970 1.00 1.80 H new ATOM 0 HB2 LEU A 21 -0.046 -12.515 -3.530 1.00 1.78 H new ATOM 0 HB3 LEU A 21 -0.999 -11.054 -3.702 1.00 1.78 H new ATOM 0 HG LEU A 21 1.197 -11.767 -5.690 1.00 1.96 H new ATOM 0 HD11 LEU A 21 -0.592 -12.710 -7.127 1.00 2.07 H new ATOM 0 HD12 LEU A 21 -0.440 -13.628 -5.610 1.00 2.07 H new ATOM 0 HD13 LEU A 21 -1.772 -12.466 -5.818 1.00 2.07 H new ATOM 0 HD21 LEU A 21 -0.120 -10.258 -7.157 1.00 2.06 H new ATOM 0 HD22 LEU A 21 -1.300 -10.015 -5.847 1.00 2.06 H new ATOM 0 HD23 LEU A 21 0.370 -9.427 -5.662 1.00 2.06 H new ATOM 309 N ILE A 22 0.468 -10.906 -0.964 1.00 1.70 N ATOM 310 CA ILE A 22 0.085 -10.365 0.381 1.00 1.76 C ATOM 311 C ILE A 22 1.202 -9.443 0.876 1.00 1.91 C ATOM 312 O ILE A 22 0.953 -8.380 1.409 1.00 1.99 O ATOM 313 CB ILE A 22 -0.072 -11.593 1.295 1.00 1.80 C ATOM 314 CG1 ILE A 22 -1.450 -12.233 1.070 1.00 1.76 C ATOM 315 CG2 ILE A 22 0.062 -11.183 2.769 1.00 2.04 C ATOM 316 CD1 ILE A 22 -2.562 -11.267 1.497 1.00 1.95 C ATOM 0 H ILE A 22 0.553 -11.921 -1.015 1.00 1.70 H new ATOM 0 HA ILE A 22 -0.837 -9.784 0.360 1.00 1.76 H new ATOM 0 HB ILE A 22 0.712 -12.311 1.052 1.00 1.80 H new ATOM 0 HG12 ILE A 22 -1.570 -12.494 0.019 1.00 1.76 H new ATOM 0 HG13 ILE A 22 -1.525 -13.160 1.639 1.00 1.76 H new ATOM 0 HG21 ILE A 22 -0.051 -12.062 3.403 1.00 2.04 H new ATOM 0 HG22 ILE A 22 1.044 -10.740 2.936 1.00 2.04 H new ATOM 0 HG23 ILE A 22 -0.711 -10.455 3.016 1.00 2.04 H new ATOM 0 HD11 ILE A 22 -3.533 -11.734 1.332 1.00 1.95 H new ATOM 0 HD12 ILE A 22 -2.450 -11.027 2.554 1.00 1.95 H new ATOM 0 HD13 ILE A 22 -2.495 -10.352 0.909 1.00 1.95 H new ATOM 328 N ALA A 23 2.431 -9.840 0.674 1.00 2.02 N ATOM 329 CA ALA A 23 3.581 -8.986 1.097 1.00 2.24 C ATOM 330 C ALA A 23 3.574 -7.682 0.288 1.00 2.22 C ATOM 331 O ALA A 23 3.707 -6.608 0.837 1.00 2.32 O ATOM 332 CB ALA A 23 4.835 -9.812 0.795 1.00 2.42 C ATOM 0 H ALA A 23 2.689 -10.723 0.232 1.00 2.02 H new ATOM 0 HA ALA A 23 3.535 -8.713 2.151 1.00 2.24 H new ATOM 0 HB1 ALA A 23 5.721 -9.246 1.081 1.00 2.42 H new ATOM 0 HB2 ALA A 23 4.802 -10.744 1.360 1.00 2.42 H new ATOM 0 HB3 ALA A 23 4.876 -10.035 -0.271 1.00 2.42 H new ATOM 338 N ILE A 24 3.393 -7.768 -1.010 1.00 2.12 N ATOM 339 CA ILE A 24 3.342 -6.524 -1.845 1.00 2.12 C ATOM 340 C ILE A 24 2.165 -5.661 -1.375 1.00 2.01 C ATOM 341 O ILE A 24 2.298 -4.466 -1.189 1.00 2.07 O ATOM 342 CB ILE A 24 3.131 -7.005 -3.290 1.00 2.09 C ATOM 343 CG1 ILE A 24 4.444 -7.572 -3.838 1.00 2.34 C ATOM 344 CG2 ILE A 24 2.691 -5.831 -4.174 1.00 2.08 C ATOM 345 CD1 ILE A 24 4.156 -8.420 -5.079 1.00 2.39 C ATOM 0 H ILE A 24 3.279 -8.641 -1.525 1.00 2.12 H new ATOM 0 HA ILE A 24 4.247 -5.922 -1.766 1.00 2.12 H new ATOM 0 HB ILE A 24 2.360 -7.776 -3.296 1.00 2.09 H new ATOM 0 HG12 ILE A 24 5.126 -6.760 -4.090 1.00 2.34 H new ATOM 0 HG13 ILE A 24 4.937 -8.177 -3.077 1.00 2.34 H new ATOM 0 HG21 ILE A 24 2.544 -6.180 -5.196 1.00 2.08 H new ATOM 0 HG22 ILE A 24 1.757 -5.419 -3.793 1.00 2.08 H new ATOM 0 HG23 ILE A 24 3.460 -5.058 -4.162 1.00 2.08 H new ATOM 0 HD11 ILE A 24 5.091 -8.823 -5.469 1.00 2.39 H new ATOM 0 HD12 ILE A 24 3.490 -9.240 -4.812 1.00 2.39 H new ATOM 0 HD13 ILE A 24 3.682 -7.801 -5.841 1.00 2.39 H new ATOM 357 N ALA A 25 1.020 -6.266 -1.159 1.00 1.91 N ATOM 358 CA ALA A 25 -0.160 -5.488 -0.675 1.00 1.91 C ATOM 359 C ALA A 25 0.134 -4.917 0.714 1.00 2.06 C ATOM 360 O ALA A 25 -0.114 -3.756 0.981 1.00 2.14 O ATOM 361 CB ALA A 25 -1.316 -6.491 -0.628 1.00 1.87 C ATOM 0 H ALA A 25 0.854 -7.263 -1.297 1.00 1.91 H new ATOM 0 HA ALA A 25 -0.399 -4.643 -1.321 1.00 1.91 H new ATOM 0 HB1 ALA A 25 -2.219 -5.989 -0.280 1.00 1.87 H new ATOM 0 HB2 ALA A 25 -1.487 -6.896 -1.625 1.00 1.87 H new ATOM 0 HB3 ALA A 25 -1.066 -7.303 0.055 1.00 1.87 H new ATOM 367 N ALA A 26 0.690 -5.717 1.585 1.00 2.16 N ATOM 368 CA ALA A 26 1.036 -5.215 2.950 1.00 2.39 C ATOM 369 C ALA A 26 2.069 -4.095 2.814 1.00 2.48 C ATOM 370 O ALA A 26 1.975 -3.072 3.461 1.00 2.62 O ATOM 371 CB ALA A 26 1.619 -6.421 3.693 1.00 2.51 C ATOM 0 H ALA A 26 0.920 -6.696 1.412 1.00 2.16 H new ATOM 0 HA ALA A 26 0.179 -4.809 3.487 1.00 2.39 H new ATOM 0 HB1 ALA A 26 1.896 -6.126 4.705 1.00 2.51 H new ATOM 0 HB2 ALA A 26 0.874 -7.216 3.738 1.00 2.51 H new ATOM 0 HB3 ALA A 26 2.502 -6.781 3.166 1.00 2.51 H new ATOM 377 N LEU A 27 3.031 -4.267 1.941 1.00 2.44 N ATOM 378 CA LEU A 27 4.049 -3.210 1.712 1.00 2.57 C ATOM 379 C LEU A 27 3.339 -1.957 1.191 1.00 2.46 C ATOM 380 O LEU A 27 3.482 -0.877 1.734 1.00 2.59 O ATOM 381 CB LEU A 27 4.965 -3.818 0.644 1.00 2.57 C ATOM 382 CG LEU A 27 6.102 -2.866 0.279 1.00 2.75 C ATOM 383 CD1 LEU A 27 5.584 -1.742 -0.618 1.00 2.66 C ATOM 384 CD2 LEU A 27 6.722 -2.268 1.545 1.00 3.05 C ATOM 0 H LEU A 27 3.151 -5.106 1.374 1.00 2.44 H new ATOM 0 HA LEU A 27 4.605 -2.917 2.603 1.00 2.57 H new ATOM 0 HB2 LEU A 27 5.378 -4.758 1.009 1.00 2.57 H new ATOM 0 HB3 LEU A 27 4.383 -4.051 -0.248 1.00 2.57 H new ATOM 0 HG LEU A 27 6.864 -3.430 -0.259 1.00 2.75 H new ATOM 0 HD11 LEU A 27 6.405 -1.071 -0.871 1.00 2.66 H new ATOM 0 HD12 LEU A 27 5.169 -2.168 -1.532 1.00 2.66 H new ATOM 0 HD13 LEU A 27 4.808 -1.185 -0.092 1.00 2.66 H new ATOM 0 HD21 LEU A 27 7.531 -1.592 1.269 1.00 3.05 H new ATOM 0 HD22 LEU A 27 5.961 -1.717 2.098 1.00 3.05 H new ATOM 0 HD23 LEU A 27 7.116 -3.069 2.170 1.00 3.05 H new ATOM 396 N GLY A 28 2.551 -2.109 0.150 1.00 2.26 N ATOM 397 CA GLY A 28 1.795 -0.948 -0.409 1.00 2.18 C ATOM 398 C GLY A 28 0.960 -0.309 0.704 1.00 2.28 C ATOM 399 O GLY A 28 0.927 0.898 0.845 1.00 2.34 O ATOM 0 H GLY A 28 2.401 -2.993 -0.336 1.00 2.26 H new ATOM 0 HA2 GLY A 28 2.486 -0.216 -0.828 1.00 2.18 H new ATOM 0 HA3 GLY A 28 1.148 -1.277 -1.222 1.00 2.18 H new ATOM 403 N ALA A 29 0.300 -1.111 1.510 1.00 2.34 N ATOM 404 CA ALA A 29 -0.514 -0.543 2.630 1.00 2.52 C ATOM 405 C ALA A 29 0.408 0.125 3.655 1.00 2.71 C ATOM 406 O ALA A 29 0.123 1.197 4.153 1.00 2.82 O ATOM 407 CB ALA A 29 -1.252 -1.736 3.246 1.00 2.60 C ATOM 0 H ALA A 29 0.291 -2.129 1.440 1.00 2.34 H new ATOM 0 HA ALA A 29 -1.215 0.219 2.289 1.00 2.52 H new ATOM 0 HB1 ALA A 29 -1.870 -1.393 4.076 1.00 2.60 H new ATOM 0 HB2 ALA A 29 -1.885 -2.202 2.491 1.00 2.60 H new ATOM 0 HB3 ALA A 29 -0.527 -2.464 3.611 1.00 2.60 H new ATOM 413 N LEU A 30 1.523 -0.492 3.946 1.00 2.79 N ATOM 414 CA LEU A 30 2.494 0.108 4.911 1.00 3.02 C ATOM 415 C LEU A 30 2.998 1.442 4.347 1.00 2.99 C ATOM 416 O LEU A 30 3.132 2.416 5.061 1.00 3.16 O ATOM 417 CB LEU A 30 3.639 -0.909 5.024 1.00 3.11 C ATOM 418 CG LEU A 30 3.316 -1.932 6.118 1.00 3.29 C ATOM 419 CD1 LEU A 30 4.172 -3.185 5.917 1.00 3.34 C ATOM 420 CD2 LEU A 30 3.623 -1.326 7.489 1.00 3.60 C ATOM 0 H LEU A 30 1.805 -1.391 3.555 1.00 2.79 H new ATOM 0 HA LEU A 30 2.053 0.309 5.887 1.00 3.02 H new ATOM 0 HB2 LEU A 30 3.783 -1.416 4.070 1.00 3.11 H new ATOM 0 HB3 LEU A 30 4.572 -0.396 5.257 1.00 3.11 H new ATOM 0 HG LEU A 30 2.261 -2.199 6.063 1.00 3.29 H new ATOM 0 HD11 LEU A 30 3.941 -3.912 6.696 1.00 3.34 H new ATOM 0 HD12 LEU A 30 3.958 -3.619 4.940 1.00 3.34 H new ATOM 0 HD13 LEU A 30 5.227 -2.917 5.972 1.00 3.34 H new ATOM 0 HD21 LEU A 30 3.393 -2.053 8.268 1.00 3.60 H new ATOM 0 HD22 LEU A 30 4.679 -1.060 7.541 1.00 3.60 H new ATOM 0 HD23 LEU A 30 3.016 -0.433 7.636 1.00 3.60 H new ATOM 432 N ILE A 31 3.246 1.493 3.059 1.00 2.81 N ATOM 433 CA ILE A 31 3.713 2.767 2.424 1.00 2.78 C ATOM 434 C ILE A 31 2.551 3.774 2.391 1.00 2.72 C ATOM 435 O ILE A 31 2.693 4.912 2.805 1.00 2.83 O ATOM 436 CB ILE A 31 4.146 2.371 1.002 1.00 2.62 C ATOM 437 CG1 ILE A 31 5.420 1.515 1.063 1.00 2.77 C ATOM 438 CG2 ILE A 31 4.419 3.627 0.168 1.00 2.61 C ATOM 439 CD1 ILE A 31 6.579 2.328 1.652 1.00 3.05 C ATOM 0 H ILE A 31 3.145 0.705 2.419 1.00 2.81 H new ATOM 0 HA ILE A 31 4.531 3.239 2.968 1.00 2.78 H new ATOM 0 HB ILE A 31 3.344 1.797 0.538 1.00 2.62 H new ATOM 0 HG12 ILE A 31 5.242 0.629 1.672 1.00 2.77 H new ATOM 0 HG13 ILE A 31 5.681 1.168 0.063 1.00 2.77 H new ATOM 0 HG21 ILE A 31 4.725 3.337 -0.837 1.00 2.61 H new ATOM 0 HG22 ILE A 31 3.513 4.230 0.112 1.00 2.61 H new ATOM 0 HG23 ILE A 31 5.214 4.209 0.635 1.00 2.61 H new ATOM 0 HD11 ILE A 31 7.475 1.709 1.689 1.00 3.05 H new ATOM 0 HD12 ILE A 31 6.766 3.201 1.026 1.00 3.05 H new ATOM 0 HD13 ILE A 31 6.320 2.653 2.660 1.00 3.05 H new ATOM 451 N LEU A 32 1.398 3.352 1.921 1.00 2.58 N ATOM 452 CA LEU A 32 0.215 4.269 1.881 1.00 2.57 C ATOM 453 C LEU A 32 -0.088 4.782 3.297 1.00 2.81 C ATOM 454 O LEU A 32 -0.294 5.963 3.506 1.00 2.89 O ATOM 455 CB LEU A 32 -0.942 3.405 1.354 1.00 2.50 C ATOM 456 CG LEU A 32 -1.909 4.268 0.533 1.00 2.21 C ATOM 457 CD1 LEU A 32 -2.115 3.632 -0.844 1.00 2.08 C ATOM 458 CD2 LEU A 32 -3.256 4.351 1.254 1.00 2.97 C ATOM 0 H LEU A 32 1.227 2.412 1.564 1.00 2.58 H new ATOM 0 HA LEU A 32 0.381 5.143 1.251 1.00 2.57 H new ATOM 0 HB2 LEU A 32 -0.551 2.596 0.738 1.00 2.50 H new ATOM 0 HB3 LEU A 32 -1.471 2.944 2.188 1.00 2.50 H new ATOM 0 HG LEU A 32 -1.492 5.269 0.417 1.00 2.21 H new ATOM 0 HD11 LEU A 32 -2.802 4.244 -1.428 1.00 2.08 H new ATOM 0 HD12 LEU A 32 -1.158 3.566 -1.361 1.00 2.08 H new ATOM 0 HD13 LEU A 32 -2.532 2.632 -0.724 1.00 2.08 H new ATOM 0 HD21 LEU A 32 -3.943 4.964 0.671 1.00 2.97 H new ATOM 0 HD22 LEU A 32 -3.670 3.349 1.368 1.00 2.97 H new ATOM 0 HD23 LEU A 32 -3.115 4.799 2.238 1.00 2.97 H new ATOM 470 N GLY A 33 -0.097 3.898 4.271 1.00 2.94 N ATOM 471 CA GLY A 33 -0.366 4.316 5.682 1.00 3.22 C ATOM 472 C GLY A 33 0.738 5.268 6.155 1.00 3.35 C ATOM 473 O GLY A 33 0.460 6.319 6.701 1.00 3.50 O ATOM 0 H GLY A 33 0.072 2.900 4.145 1.00 2.94 H new ATOM 0 HA2 GLY A 33 -1.337 4.807 5.748 1.00 3.22 H new ATOM 0 HA3 GLY A 33 -0.407 3.440 6.330 1.00 3.22 H new ATOM 477 N CYS A 34 1.986 4.914 5.940 1.00 3.34 N ATOM 478 CA CYS A 34 3.108 5.813 6.368 1.00 3.51 C ATOM 479 C CYS A 34 2.968 7.182 5.689 1.00 3.38 C ATOM 480 O CYS A 34 3.077 8.212 6.329 1.00 3.52 O ATOM 481 CB CYS A 34 4.398 5.115 5.918 1.00 3.50 C ATOM 482 SG CYS A 34 5.538 4.999 7.320 1.00 3.96 S ATOM 0 H CYS A 34 2.274 4.046 5.489 1.00 3.34 H new ATOM 0 HA CYS A 34 3.106 5.984 7.445 1.00 3.51 H new ATOM 0 HB2 CYS A 34 4.172 4.120 5.535 1.00 3.50 H new ATOM 0 HB3 CYS A 34 4.861 5.672 5.103 1.00 3.50 H new ATOM 0 HG CYS A 34 6.631 4.406 6.942 1.00 3.96 H new ATOM 488 N TRP A 35 2.710 7.197 4.401 1.00 3.13 N ATOM 489 CA TRP A 35 2.542 8.501 3.683 1.00 3.00 C ATOM 490 C TRP A 35 1.289 9.224 4.201 1.00 3.04 C ATOM 491 O TRP A 35 1.360 10.355 4.646 1.00 3.13 O ATOM 492 CB TRP A 35 2.385 8.127 2.202 1.00 2.76 C ATOM 493 CG TRP A 35 2.523 9.350 1.345 1.00 2.61 C ATOM 494 CD1 TRP A 35 1.656 10.392 1.329 1.00 2.57 C ATOM 495 CD2 TRP A 35 3.566 9.674 0.379 1.00 2.54 C ATOM 496 NE1 TRP A 35 2.102 11.333 0.416 1.00 2.46 N ATOM 497 CE2 TRP A 35 3.275 10.935 -0.196 1.00 2.45 C ATOM 498 CE3 TRP A 35 4.724 9.001 -0.052 1.00 2.65 C ATOM 499 CZ2 TRP A 35 4.106 11.507 -1.161 1.00 2.46 C ATOM 500 CZ3 TRP A 35 5.561 9.575 -1.023 1.00 2.69 C ATOM 501 CH2 TRP A 35 5.252 10.824 -1.577 1.00 2.59 C ATOM 0 H TRP A 35 2.609 6.366 3.819 1.00 3.13 H new ATOM 0 HA TRP A 35 3.385 9.174 3.838 1.00 3.00 H new ATOM 0 HB2 TRP A 35 3.139 7.391 1.923 1.00 2.76 H new ATOM 0 HB3 TRP A 35 1.412 7.665 2.037 1.00 2.76 H new ATOM 0 HD1 TRP A 35 0.763 10.475 1.930 1.00 2.57 H new ATOM 0 HE1 TRP A 35 1.623 12.212 0.220 1.00 2.46 H new ATOM 0 HE3 TRP A 35 4.971 8.037 0.367 1.00 2.65 H new ATOM 0 HZ2 TRP A 35 3.865 12.471 -1.583 1.00 2.46 H new ATOM 0 HZ3 TRP A 35 6.448 9.050 -1.345 1.00 2.69 H new ATOM 0 HH2 TRP A 35 5.899 11.259 -2.325 1.00 2.59 H new ATOM 512 N CYS A 36 0.149 8.564 4.150 1.00 3.02 N ATOM 513 CA CYS A 36 -1.139 9.169 4.636 1.00 3.13 C ATOM 514 C CYS A 36 -1.551 10.391 3.792 1.00 3.01 C ATOM 515 O CYS A 36 -2.630 10.420 3.231 1.00 2.98 O ATOM 516 CB CYS A 36 -0.882 9.562 6.094 1.00 3.40 C ATOM 517 SG CYS A 36 -2.365 9.230 7.078 1.00 3.81 S ATOM 0 H CYS A 36 0.057 7.616 3.786 1.00 3.02 H new ATOM 0 HA CYS A 36 -1.965 8.463 4.548 1.00 3.13 H new ATOM 0 HB2 CYS A 36 -0.036 9.000 6.490 1.00 3.40 H new ATOM 0 HB3 CYS A 36 -0.620 10.618 6.157 1.00 3.40 H new ATOM 0 HG CYS A 36 -2.218 9.733 8.268 1.00 3.81 H new ATOM 523 N TYR A 37 -0.717 11.399 3.704 1.00 2.98 N ATOM 524 CA TYR A 37 -1.090 12.606 2.900 1.00 2.88 C ATOM 525 C TYR A 37 0.158 13.308 2.330 1.00 2.78 C ATOM 526 O TYR A 37 0.260 13.525 1.138 1.00 2.68 O ATOM 527 CB TYR A 37 -1.829 13.509 3.897 1.00 3.05 C ATOM 528 CG TYR A 37 -2.339 14.761 3.214 1.00 3.03 C ATOM 529 CD1 TYR A 37 -2.877 14.697 1.921 1.00 2.92 C ATOM 530 CD2 TYR A 37 -2.277 15.990 3.883 1.00 3.22 C ATOM 531 CE1 TYR A 37 -3.351 15.861 1.303 1.00 2.94 C ATOM 532 CE2 TYR A 37 -2.752 17.151 3.262 1.00 3.23 C ATOM 533 CZ TYR A 37 -3.288 17.084 1.974 1.00 3.07 C ATOM 534 OH TYR A 37 -3.754 18.228 1.365 1.00 3.12 O ATOM 0 H TYR A 37 0.199 11.439 4.150 1.00 2.98 H new ATOM 0 HA TYR A 37 -1.702 12.354 2.034 1.00 2.88 H new ATOM 0 HB2 TYR A 37 -2.664 12.964 4.338 1.00 3.05 H new ATOM 0 HB3 TYR A 37 -1.160 13.782 4.713 1.00 3.05 H new ATOM 0 HD1 TYR A 37 -2.926 13.751 1.402 1.00 2.92 H new ATOM 0 HD2 TYR A 37 -1.862 16.042 4.879 1.00 3.22 H new ATOM 0 HE1 TYR A 37 -3.765 15.813 0.307 1.00 2.94 H new ATOM 0 HE2 TYR A 37 -2.704 18.098 3.779 1.00 3.23 H new ATOM 0 HH TYR A 37 -3.092 18.944 1.463 1.00 3.12 H new ATOM 544 N LEU A 38 1.096 13.672 3.165 1.00 2.89 N ATOM 545 CA LEU A 38 2.321 14.378 2.657 1.00 2.89 C ATOM 546 C LEU A 38 3.472 13.394 2.469 1.00 2.87 C ATOM 547 O LEU A 38 4.044 13.289 1.401 1.00 2.77 O ATOM 548 CB LEU A 38 2.675 15.420 3.731 1.00 3.14 C ATOM 549 CG LEU A 38 1.398 16.054 4.282 1.00 3.29 C ATOM 550 CD1 LEU A 38 1.687 16.712 5.624 1.00 3.76 C ATOM 551 CD2 LEU A 38 0.890 17.113 3.305 1.00 3.33 C ATOM 0 H LEU A 38 1.072 13.514 4.172 1.00 2.89 H new ATOM 0 HA LEU A 38 2.141 14.842 1.687 1.00 2.89 H new ATOM 0 HB2 LEU A 38 3.234 14.947 4.538 1.00 3.14 H new ATOM 0 HB3 LEU A 38 3.319 16.190 3.305 1.00 3.14 H new ATOM 0 HG LEU A 38 0.642 15.279 4.411 1.00 3.29 H new ATOM 0 HD11 LEU A 38 0.774 17.162 6.013 1.00 3.76 H new ATOM 0 HD12 LEU A 38 2.049 15.962 6.327 1.00 3.76 H new ATOM 0 HD13 LEU A 38 2.446 17.484 5.495 1.00 3.76 H new ATOM 0 HD21 LEU A 38 -0.021 17.564 3.699 1.00 3.33 H new ATOM 0 HD22 LEU A 38 1.650 17.883 3.176 1.00 3.33 H new ATOM 0 HD23 LEU A 38 0.677 16.648 2.342 1.00 3.33 H new ATOM 563 N ARG A 39 3.805 12.684 3.511 1.00 3.02 N ATOM 564 CA ARG A 39 4.920 11.681 3.451 1.00 3.08 C ATOM 565 C ARG A 39 5.115 10.990 4.807 1.00 3.29 C ATOM 566 O ARG A 39 5.167 9.778 4.891 1.00 3.36 O ATOM 567 CB ARG A 39 6.170 12.480 3.086 1.00 3.14 C ATOM 568 CG ARG A 39 6.638 12.041 1.704 1.00 3.05 C ATOM 569 CD ARG A 39 7.347 13.204 1.002 1.00 3.03 C ATOM 570 NE ARG A 39 6.285 14.241 0.844 1.00 2.94 N ATOM 571 CZ ARG A 39 6.591 15.501 0.764 1.00 3.09 C ATOM 572 NH1 ARG A 39 6.857 16.180 1.833 1.00 3.25 N ATOM 573 NH2 ARG A 39 6.622 16.090 -0.386 1.00 3.19 N ATOM 0 H ARG A 39 3.347 12.754 4.420 1.00 3.02 H new ATOM 0 HA ARG A 39 4.706 10.896 2.726 1.00 3.08 H new ATOM 0 HB2 ARG A 39 5.952 13.548 3.090 1.00 3.14 H new ATOM 0 HB3 ARG A 39 6.955 12.312 3.823 1.00 3.14 H new ATOM 0 HG2 ARG A 39 7.314 11.191 1.792 1.00 3.05 H new ATOM 0 HG3 ARG A 39 5.786 11.710 1.110 1.00 3.05 H new ATOM 0 HD2 ARG A 39 8.182 13.577 1.595 1.00 3.03 H new ATOM 0 HD3 ARG A 39 7.752 12.899 0.037 1.00 3.03 H new ATOM 0 HE ARG A 39 5.307 13.957 0.798 1.00 2.94 H new ATOM 0 HH11 ARG A 39 6.827 15.726 2.746 1.00 3.25 H new ATOM 0 HH12 ARG A 39 7.097 17.169 1.763 1.00 3.25 H new ATOM 0 HH21 ARG A 39 6.406 15.565 -1.234 1.00 3.19 H new ATOM 0 HH22 ARG A 39 6.863 17.079 -0.446 1.00 3.19 H new ATOM 587 N LEU A 40 5.233 11.755 5.865 1.00 3.43 N ATOM 588 CA LEU A 40 5.431 11.152 7.218 1.00 3.67 C ATOM 589 C LEU A 40 4.353 11.656 8.192 1.00 3.79 C ATOM 590 O LEU A 40 4.628 12.413 9.109 1.00 3.99 O ATOM 591 CB LEU A 40 6.826 11.616 7.658 1.00 3.94 C ATOM 592 CG LEU A 40 7.892 10.681 7.081 1.00 3.99 C ATOM 593 CD1 LEU A 40 9.106 11.505 6.649 1.00 4.11 C ATOM 594 CD2 LEU A 40 8.319 9.671 8.153 1.00 4.32 C ATOM 0 H LEU A 40 5.200 12.774 5.848 1.00 3.43 H new ATOM 0 HA LEU A 40 5.352 10.065 7.202 1.00 3.67 H new ATOM 0 HB2 LEU A 40 7.003 12.637 7.319 1.00 3.94 H new ATOM 0 HB3 LEU A 40 6.889 11.626 8.746 1.00 3.94 H new ATOM 0 HG LEU A 40 7.485 10.149 6.221 1.00 3.99 H new ATOM 0 HD11 LEU A 40 9.868 10.843 6.237 1.00 4.11 H new ATOM 0 HD12 LEU A 40 8.804 12.227 5.890 1.00 4.11 H new ATOM 0 HD13 LEU A 40 9.512 12.034 7.511 1.00 4.11 H new ATOM 0 HD21 LEU A 40 9.078 9.005 7.743 1.00 4.32 H new ATOM 0 HD22 LEU A 40 8.728 10.203 9.012 1.00 4.32 H new ATOM 0 HD23 LEU A 40 7.454 9.086 8.467 1.00 4.32 H new ATOM 606 N GLN A 41 3.122 11.233 8.004 1.00 3.71 N ATOM 607 CA GLN A 41 2.015 11.679 8.921 1.00 3.87 C ATOM 608 C GLN A 41 2.316 11.306 10.388 1.00 4.17 C ATOM 609 O GLN A 41 1.714 11.834 11.300 1.00 4.36 O ATOM 610 CB GLN A 41 0.757 10.954 8.419 1.00 3.82 C ATOM 611 CG GLN A 41 -0.381 11.965 8.215 1.00 3.71 C ATOM 612 CD GLN A 41 0.058 13.060 7.237 1.00 3.58 C ATOM 613 OE1 GLN A 41 0.334 12.796 6.084 1.00 3.75 O ATOM 614 NE2 GLN A 41 0.136 14.290 7.654 1.00 3.62 N ATOM 0 H GLN A 41 2.835 10.600 7.258 1.00 3.71 H new ATOM 0 HA GLN A 41 1.895 12.762 8.905 1.00 3.87 H new ATOM 0 HB2 GLN A 41 0.972 10.441 7.482 1.00 3.82 H new ATOM 0 HB3 GLN A 41 0.454 10.192 9.137 1.00 3.82 H new ATOM 0 HG2 GLN A 41 -1.265 11.457 7.831 1.00 3.71 H new ATOM 0 HG3 GLN A 41 -0.659 12.410 9.171 1.00 3.71 H new ATOM 0 HE21 GLN A 41 -0.095 14.516 8.621 1.00 3.62 H new ATOM 0 HE22 GLN A 41 0.428 15.028 7.013 1.00 3.62 H new ATOM 623 N ARG A 42 3.263 10.423 10.619 1.00 4.25 N ATOM 624 CA ARG A 42 3.624 10.039 12.022 1.00 4.57 C ATOM 625 C ARG A 42 4.207 11.260 12.737 1.00 4.76 C ATOM 626 O ARG A 42 3.648 11.760 13.698 1.00 5.04 O ATOM 627 CB ARG A 42 4.666 8.916 11.860 1.00 4.59 C ATOM 628 CG ARG A 42 5.632 8.896 13.051 1.00 4.99 C ATOM 629 CD ARG A 42 4.914 8.352 14.289 1.00 5.31 C ATOM 630 NE ARG A 42 4.997 9.458 15.290 1.00 5.79 N ATOM 631 CZ ARG A 42 4.008 9.692 16.090 1.00 6.04 C ATOM 632 NH1 ARG A 42 3.846 8.954 17.141 1.00 6.50 N ATOM 633 NH2 ARG A 42 3.186 10.661 15.835 1.00 5.91 N ATOM 0 H ARG A 42 3.802 9.951 9.893 1.00 4.25 H new ATOM 0 HA ARG A 42 2.776 9.701 12.618 1.00 4.57 H new ATOM 0 HB2 ARG A 42 4.161 7.954 11.779 1.00 4.59 H new ATOM 0 HB3 ARG A 42 5.224 9.062 10.935 1.00 4.59 H new ATOM 0 HG2 ARG A 42 6.498 8.276 12.819 1.00 4.99 H new ATOM 0 HG3 ARG A 42 6.004 9.902 13.247 1.00 4.99 H new ATOM 0 HD2 ARG A 42 3.878 8.096 14.066 1.00 5.31 H new ATOM 0 HD3 ARG A 42 5.394 7.446 14.659 1.00 5.31 H new ATOM 0 HE ARG A 42 5.839 10.032 15.343 1.00 5.79 H new ATOM 0 HH11 ARG A 42 4.496 8.193 17.335 1.00 6.50 H new ATOM 0 HH12 ARG A 42 3.068 9.134 17.775 1.00 6.50 H new ATOM 0 HH21 ARG A 42 3.320 11.238 15.004 1.00 5.91 H new ATOM 0 HH22 ARG A 42 2.406 10.847 16.465 1.00 5.91 H new ATOM 647 N ILE A 43 5.309 11.754 12.249 1.00 4.66 N ATOM 648 CA ILE A 43 5.934 12.971 12.854 1.00 4.88 C ATOM 649 C ILE A 43 5.075 14.189 12.515 1.00 4.85 C ATOM 650 O ILE A 43 4.997 15.147 13.260 1.00 5.04 O ATOM 651 CB ILE A 43 7.313 13.101 12.199 1.00 4.92 C ATOM 652 CG1 ILE A 43 7.228 12.971 10.673 1.00 4.67 C ATOM 653 CG2 ILE A 43 8.239 12.014 12.729 1.00 5.01 C ATOM 654 CD1 ILE A 43 8.315 13.835 10.033 1.00 4.81 C ATOM 0 H ILE A 43 5.811 11.366 11.450 1.00 4.66 H new ATOM 0 HA ILE A 43 6.016 12.901 13.939 1.00 4.88 H new ATOM 0 HB ILE A 43 7.702 14.089 12.444 1.00 4.92 H new ATOM 0 HG12 ILE A 43 7.354 11.929 10.377 1.00 4.67 H new ATOM 0 HG13 ILE A 43 6.244 13.285 10.324 1.00 4.67 H new ATOM 0 HG21 ILE A 43 9.218 12.110 12.261 1.00 5.01 H new ATOM 0 HG22 ILE A 43 8.342 12.118 13.809 1.00 5.01 H new ATOM 0 HG23 ILE A 43 7.821 11.035 12.497 1.00 5.01 H new ATOM 0 HD11 ILE A 43 8.259 13.746 8.948 1.00 4.81 H new ATOM 0 HD12 ILE A 43 8.168 14.876 10.320 1.00 4.81 H new ATOM 0 HD13 ILE A 43 9.294 13.500 10.374 1.00 4.81 H new ATOM 666 N SER A 44 4.438 14.125 11.373 1.00 4.64 N ATOM 667 CA SER A 44 3.548 15.231 10.879 1.00 4.59 C ATOM 668 C SER A 44 4.373 16.397 10.325 1.00 4.61 C ATOM 669 O SER A 44 4.818 17.269 11.048 1.00 5.00 O ATOM 670 CB SER A 44 2.703 15.678 12.069 1.00 4.73 C ATOM 671 OG SER A 44 1.437 16.129 11.594 1.00 4.71 O ATOM 0 H SER A 44 4.498 13.328 10.740 1.00 4.64 H new ATOM 0 HA SER A 44 2.916 14.883 10.062 1.00 4.59 H new ATOM 0 HB2 SER A 44 2.571 14.853 12.768 1.00 4.73 H new ATOM 0 HB3 SER A 44 3.209 16.477 12.611 1.00 4.73 H new ATOM 0 HG SER A 44 0.887 16.417 12.352 1.00 4.71 H new ATOM 677 N GLN A 45 4.560 16.414 9.034 1.00 4.24 N ATOM 678 CA GLN A 45 5.341 17.518 8.382 1.00 4.26 C ATOM 679 C GLN A 45 4.388 18.498 7.684 1.00 4.06 C ATOM 680 O GLN A 45 3.357 18.111 7.179 1.00 3.84 O ATOM 681 CB GLN A 45 6.255 16.826 7.353 1.00 4.16 C ATOM 682 CG GLN A 45 5.424 15.937 6.410 1.00 3.85 C ATOM 683 CD GLN A 45 5.725 16.297 4.952 1.00 3.61 C ATOM 684 OE1 GLN A 45 6.427 15.576 4.267 1.00 3.67 O ATOM 685 NE2 GLN A 45 5.215 17.377 4.438 1.00 3.38 N ATOM 0 H GLN A 45 4.204 15.706 8.392 1.00 4.24 H new ATOM 0 HA GLN A 45 5.918 18.093 9.107 1.00 4.26 H new ATOM 0 HB2 GLN A 45 6.795 17.576 6.775 1.00 4.16 H new ATOM 0 HB3 GLN A 45 7.002 16.222 7.868 1.00 4.16 H new ATOM 0 HG2 GLN A 45 5.655 14.887 6.589 1.00 3.85 H new ATOM 0 HG3 GLN A 45 4.361 16.069 6.614 1.00 3.85 H new ATOM 0 HE21 GLN A 45 4.626 17.984 5.008 1.00 3.38 H new ATOM 0 HE22 GLN A 45 5.404 17.617 3.465 1.00 3.38 H new ATOM 694 N SER A 46 4.723 19.762 7.648 1.00 4.19 N ATOM 695 CA SER A 46 3.832 20.754 6.975 1.00 4.02 C ATOM 696 C SER A 46 4.250 20.933 5.508 1.00 3.78 C ATOM 697 O SER A 46 3.596 20.441 4.609 1.00 3.52 O ATOM 698 CB SER A 46 4.015 22.059 7.755 1.00 4.41 C ATOM 699 OG SER A 46 5.390 22.438 7.719 1.00 4.67 O ATOM 0 H SER A 46 5.574 20.150 8.055 1.00 4.19 H new ATOM 0 HA SER A 46 2.790 20.433 6.970 1.00 4.02 H new ATOM 0 HB2 SER A 46 3.397 22.845 7.322 1.00 4.41 H new ATOM 0 HB3 SER A 46 3.688 21.929 8.787 1.00 4.41 H new ATOM 0 HG SER A 46 5.476 23.317 7.294 1.00 4.67 H new ATOM 705 N GLU A 47 5.340 21.632 5.273 1.00 3.93 N ATOM 706 CA GLU A 47 5.834 21.865 3.871 1.00 3.80 C ATOM 707 C GLU A 47 4.813 22.688 3.063 1.00 3.60 C ATOM 708 O GLU A 47 3.803 23.125 3.584 1.00 3.58 O ATOM 709 CB GLU A 47 6.012 20.466 3.271 1.00 3.64 C ATOM 710 CG GLU A 47 7.189 20.469 2.289 1.00 3.74 C ATOM 711 CD GLU A 47 6.765 19.795 0.986 1.00 3.51 C ATOM 712 OE1 GLU A 47 6.881 18.581 0.907 1.00 3.90 O ATOM 713 OE2 GLU A 47 6.328 20.501 0.093 1.00 3.10 O ATOM 0 H GLU A 47 5.915 22.056 6.001 1.00 3.93 H new ATOM 0 HA GLU A 47 6.765 22.432 3.854 1.00 3.80 H new ATOM 0 HB2 GLU A 47 6.190 19.740 4.064 1.00 3.64 H new ATOM 0 HB3 GLU A 47 5.100 20.161 2.759 1.00 3.64 H new ATOM 0 HG2 GLU A 47 7.511 21.492 2.094 1.00 3.74 H new ATOM 0 HG3 GLU A 47 8.040 19.944 2.723 1.00 3.74 H new ATOM 720 N ASP A 48 5.070 22.907 1.795 1.00 3.50 N ATOM 721 CA ASP A 48 4.110 23.700 0.963 1.00 3.34 C ATOM 722 C ASP A 48 2.961 22.802 0.475 1.00 3.35 C ATOM 723 O ASP A 48 1.808 23.187 0.531 1.00 3.34 O ATOM 724 CB ASP A 48 4.937 24.231 -0.214 1.00 3.25 C ATOM 725 CG ASP A 48 5.803 25.401 0.258 1.00 3.18 C ATOM 726 OD1 ASP A 48 5.319 26.521 0.229 1.00 3.42 O ATOM 727 OD2 ASP A 48 6.933 25.153 0.644 1.00 3.04 O ATOM 0 H ASP A 48 5.898 22.573 1.303 1.00 3.50 H new ATOM 0 HA ASP A 48 3.651 24.514 1.524 1.00 3.34 H new ATOM 0 HB2 ASP A 48 5.567 23.438 -0.617 1.00 3.25 H new ATOM 0 HB3 ASP A 48 4.277 24.554 -1.019 1.00 3.25 H new ATOM 732 N GLU A 49 3.276 21.604 0.016 1.00 3.39 N ATOM 733 CA GLU A 49 2.218 20.646 -0.470 1.00 3.44 C ATOM 734 C GLU A 49 1.538 21.152 -1.757 1.00 3.31 C ATOM 735 O GLU A 49 1.231 22.322 -1.897 1.00 3.25 O ATOM 736 CB GLU A 49 1.207 20.543 0.679 1.00 3.58 C ATOM 737 CG GLU A 49 0.647 19.117 0.746 1.00 3.53 C ATOM 738 CD GLU A 49 -0.784 19.088 0.209 1.00 3.31 C ATOM 739 OE1 GLU A 49 -1.676 19.558 0.908 1.00 4.15 O ATOM 740 OE2 GLU A 49 -0.974 18.597 -0.888 1.00 2.63 O ATOM 0 H GLU A 49 4.230 21.247 -0.043 1.00 3.39 H new ATOM 0 HA GLU A 49 2.649 19.678 -0.725 1.00 3.44 H new ATOM 0 HB2 GLU A 49 1.687 20.801 1.623 1.00 3.58 H new ATOM 0 HB3 GLU A 49 0.396 21.256 0.528 1.00 3.58 H new ATOM 0 HG2 GLU A 49 1.276 18.443 0.164 1.00 3.53 H new ATOM 0 HG3 GLU A 49 0.665 18.759 1.775 1.00 3.53 H new ATOM 747 N GLU A 50 1.293 20.273 -2.700 1.00 3.32 N ATOM 748 CA GLU A 50 0.627 20.704 -3.973 1.00 3.24 C ATOM 749 C GLU A 50 -0.902 20.704 -3.811 1.00 3.23 C ATOM 750 O GLU A 50 -1.604 19.868 -4.349 1.00 3.24 O ATOM 751 CB GLU A 50 1.064 19.692 -5.036 1.00 3.24 C ATOM 752 CG GLU A 50 0.922 20.339 -6.420 1.00 3.25 C ATOM 753 CD GLU A 50 1.961 19.761 -7.385 1.00 3.21 C ATOM 754 OE1 GLU A 50 3.121 19.703 -7.009 1.00 3.15 O ATOM 755 OE2 GLU A 50 1.582 19.396 -8.486 1.00 3.35 O ATOM 0 H GLU A 50 1.524 19.281 -2.645 1.00 3.32 H new ATOM 0 HA GLU A 50 0.911 21.719 -4.251 1.00 3.24 H new ATOM 0 HB2 GLU A 50 2.097 19.387 -4.866 1.00 3.24 H new ATOM 0 HB3 GLU A 50 0.452 18.792 -4.975 1.00 3.24 H new ATOM 0 HG2 GLU A 50 -0.082 20.166 -6.809 1.00 3.25 H new ATOM 0 HG3 GLU A 50 1.051 21.418 -6.340 1.00 3.25 H new ATOM 762 N SER A 51 -1.414 21.648 -3.071 1.00 3.24 N ATOM 763 CA SER A 51 -2.894 21.739 -2.854 1.00 3.29 C ATOM 764 C SER A 51 -3.295 23.191 -2.576 1.00 3.28 C ATOM 765 O SER A 51 -4.111 23.769 -3.270 1.00 3.29 O ATOM 766 CB SER A 51 -3.171 20.848 -1.638 1.00 3.40 C ATOM 767 OG SER A 51 -2.694 21.483 -0.454 1.00 3.36 O ATOM 0 H SER A 51 -0.868 22.370 -2.601 1.00 3.24 H new ATOM 0 HA SER A 51 -3.466 21.418 -3.725 1.00 3.29 H new ATOM 0 HB2 SER A 51 -4.241 20.656 -1.553 1.00 3.40 H new ATOM 0 HB3 SER A 51 -2.683 19.882 -1.765 1.00 3.40 H new ATOM 0 HG SER A 51 -2.537 20.808 0.239 1.00 3.36 H new ATOM 773 N ILE A 52 -2.707 23.774 -1.570 1.00 3.30 N ATOM 774 CA ILE A 52 -3.003 25.196 -1.199 1.00 3.32 C ATOM 775 C ILE A 52 -2.871 26.108 -2.427 1.00 3.25 C ATOM 776 O ILE A 52 -3.597 27.069 -2.579 1.00 3.28 O ATOM 777 CB ILE A 52 -1.955 25.558 -0.131 1.00 3.43 C ATOM 778 CG1 ILE A 52 -0.563 25.672 -0.773 1.00 3.52 C ATOM 779 CG2 ILE A 52 -1.920 24.474 0.948 1.00 3.48 C ATOM 780 CD1 ILE A 52 0.486 25.948 0.306 1.00 3.11 C ATOM 0 H ILE A 52 -2.017 23.318 -0.973 1.00 3.30 H new ATOM 0 HA ILE A 52 -4.020 25.322 -0.826 1.00 3.32 H new ATOM 0 HB ILE A 52 -2.227 26.514 0.316 1.00 3.43 H new ATOM 0 HG12 ILE A 52 -0.320 24.750 -1.302 1.00 3.52 H new ATOM 0 HG13 ILE A 52 -0.558 26.474 -1.511 1.00 3.52 H new ATOM 0 HG21 ILE A 52 -1.177 24.735 1.702 1.00 3.48 H new ATOM 0 HG22 ILE A 52 -2.901 24.396 1.417 1.00 3.48 H new ATOM 0 HG23 ILE A 52 -1.657 23.518 0.495 1.00 3.48 H new ATOM 0 HD11 ILE A 52 1.470 26.028 -0.155 1.00 3.11 H new ATOM 0 HD12 ILE A 52 0.247 26.882 0.815 1.00 3.11 H new ATOM 0 HD13 ILE A 52 0.489 25.131 1.028 1.00 3.11 H new ATOM 792 N VAL A 53 -1.945 25.800 -3.301 1.00 3.20 N ATOM 793 CA VAL A 53 -1.755 26.634 -4.535 1.00 3.20 C ATOM 794 C VAL A 53 -3.072 26.765 -5.320 1.00 3.30 C ATOM 795 O VAL A 53 -3.296 27.748 -6.001 1.00 3.37 O ATOM 796 CB VAL A 53 -0.705 25.889 -5.377 1.00 3.17 C ATOM 797 CG1 VAL A 53 -1.245 24.519 -5.804 1.00 3.20 C ATOM 798 CG2 VAL A 53 -0.382 26.711 -6.629 1.00 3.25 C ATOM 0 H VAL A 53 -1.310 25.006 -3.216 1.00 3.20 H new ATOM 0 HA VAL A 53 -1.437 27.646 -4.285 1.00 3.20 H new ATOM 0 HB VAL A 53 0.195 25.750 -4.778 1.00 3.17 H new ATOM 0 HG11 VAL A 53 -0.493 24.001 -6.399 1.00 3.20 H new ATOM 0 HG12 VAL A 53 -1.477 23.927 -4.918 1.00 3.20 H new ATOM 0 HG13 VAL A 53 -2.149 24.653 -6.398 1.00 3.20 H new ATOM 0 HG21 VAL A 53 0.362 26.185 -7.228 1.00 3.25 H new ATOM 0 HG22 VAL A 53 -1.289 26.850 -7.217 1.00 3.25 H new ATOM 0 HG23 VAL A 53 0.011 27.684 -6.334 1.00 3.25 H new ATOM 808 N GLY A 54 -3.939 25.778 -5.242 1.00 3.37 N ATOM 809 CA GLY A 54 -5.232 25.848 -5.997 1.00 3.53 C ATOM 810 C GLY A 54 -5.030 25.346 -7.432 1.00 3.42 C ATOM 811 O GLY A 54 -5.901 24.720 -8.005 1.00 3.41 O ATOM 0 H GLY A 54 -3.806 24.931 -4.690 1.00 3.37 H new ATOM 0 HA2 GLY A 54 -5.989 25.245 -5.495 1.00 3.53 H new ATOM 0 HA3 GLY A 54 -5.600 26.874 -6.010 1.00 3.53 H new ATOM 815 N ASP A 55 -3.891 25.622 -8.016 1.00 3.42 N ATOM 816 CA ASP A 55 -3.625 25.169 -9.410 1.00 3.34 C ATOM 817 C ASP A 55 -3.176 23.699 -9.429 1.00 3.38 C ATOM 818 O ASP A 55 -2.639 23.189 -8.464 1.00 3.49 O ATOM 819 CB ASP A 55 -2.500 26.089 -9.905 1.00 3.24 C ATOM 820 CG ASP A 55 -2.580 26.260 -11.425 1.00 3.07 C ATOM 821 OD1 ASP A 55 -3.453 25.659 -12.037 1.00 3.24 O ATOM 822 OD2 ASP A 55 -1.762 26.992 -11.952 1.00 3.02 O ATOM 0 H ASP A 55 -3.131 26.145 -7.582 1.00 3.42 H new ATOM 0 HA ASP A 55 -4.513 25.225 -10.040 1.00 3.34 H new ATOM 0 HB2 ASP A 55 -2.576 27.062 -9.419 1.00 3.24 H new ATOM 0 HB3 ASP A 55 -1.532 25.670 -9.630 1.00 3.24 H new ATOM 827 N GLY A 56 -3.389 23.022 -10.527 1.00 3.35 N ATOM 828 CA GLY A 56 -2.979 21.587 -10.629 1.00 3.43 C ATOM 829 C GLY A 56 -3.212 21.105 -12.060 1.00 3.42 C ATOM 830 O GLY A 56 -2.302 20.664 -12.735 1.00 3.36 O ATOM 0 H GLY A 56 -3.832 23.403 -11.363 1.00 3.35 H new ATOM 0 HA2 GLY A 56 -1.929 21.475 -10.360 1.00 3.43 H new ATOM 0 HA3 GLY A 56 -3.553 20.980 -9.929 1.00 3.43 H new ATOM 834 N GLU A 57 -4.430 21.188 -12.525 1.00 3.55 N ATOM 835 CA GLU A 57 -4.731 20.738 -13.917 1.00 3.60 C ATOM 836 C GLU A 57 -5.245 21.899 -14.793 1.00 3.44 C ATOM 837 O GLU A 57 -5.564 21.707 -15.952 1.00 3.54 O ATOM 838 CB GLU A 57 -5.801 19.651 -13.755 1.00 4.14 C ATOM 839 CG GLU A 57 -7.110 20.266 -13.230 1.00 4.43 C ATOM 840 CD GLU A 57 -7.374 19.785 -11.801 1.00 5.15 C ATOM 841 OE1 GLU A 57 -6.676 20.235 -10.908 1.00 5.55 O ATOM 842 OE2 GLU A 57 -8.273 18.980 -11.627 1.00 5.52 O ATOM 0 H GLU A 57 -5.229 21.547 -12.003 1.00 3.55 H new ATOM 0 HA GLU A 57 -3.839 20.367 -14.422 1.00 3.60 H new ATOM 0 HB2 GLU A 57 -5.979 19.161 -14.712 1.00 4.14 H new ATOM 0 HB3 GLU A 57 -5.449 18.884 -13.065 1.00 4.14 H new ATOM 0 HG2 GLU A 57 -7.045 21.354 -13.251 1.00 4.43 H new ATOM 0 HG3 GLU A 57 -7.940 19.984 -13.877 1.00 4.43 H new ATOM 849 N THR A 58 -5.324 23.098 -14.257 1.00 3.23 N ATOM 850 CA THR A 58 -5.815 24.268 -15.066 1.00 3.15 C ATOM 851 C THR A 58 -5.063 24.358 -16.401 1.00 2.88 C ATOM 852 O THR A 58 -3.868 24.148 -16.459 1.00 2.68 O ATOM 853 CB THR A 58 -5.502 25.506 -14.216 1.00 3.05 C ATOM 854 OG1 THR A 58 -5.814 25.248 -12.856 1.00 3.25 O ATOM 855 CG2 THR A 58 -6.326 26.696 -14.705 1.00 3.19 C ATOM 0 H THR A 58 -5.070 23.318 -13.294 1.00 3.23 H new ATOM 0 HA THR A 58 -6.876 24.176 -15.297 1.00 3.15 H new ATOM 0 HB THR A 58 -4.441 25.737 -14.309 1.00 3.05 H new ATOM 0 HG1 THR A 58 -4.986 25.097 -12.353 1.00 3.25 H new ATOM 0 HG21 THR A 58 -6.098 27.571 -14.096 1.00 3.19 H new ATOM 0 HG22 THR A 58 -6.081 26.905 -15.746 1.00 3.19 H new ATOM 0 HG23 THR A 58 -7.387 26.462 -14.621 1.00 3.19 H new ATOM 863 N LYS A 59 -5.749 24.680 -17.470 1.00 2.93 N ATOM 864 CA LYS A 59 -5.057 24.796 -18.796 1.00 2.75 C ATOM 865 C LYS A 59 -4.025 25.935 -18.746 1.00 2.42 C ATOM 866 O LYS A 59 -4.314 27.012 -18.258 1.00 2.41 O ATOM 867 CB LYS A 59 -6.167 25.109 -19.805 1.00 2.96 C ATOM 868 CG LYS A 59 -5.670 24.805 -21.224 1.00 3.11 C ATOM 869 CD LYS A 59 -6.729 25.241 -22.244 1.00 2.94 C ATOM 870 CE LYS A 59 -6.246 26.492 -22.994 1.00 2.89 C ATOM 871 NZ LYS A 59 -5.223 26.007 -23.974 1.00 2.93 N ATOM 0 H LYS A 59 -6.752 24.867 -17.485 1.00 2.93 H new ATOM 0 HA LYS A 59 -4.518 23.888 -19.066 1.00 2.75 H new ATOM 0 HB2 LYS A 59 -7.053 24.514 -19.583 1.00 2.96 H new ATOM 0 HB3 LYS A 59 -6.459 26.156 -19.727 1.00 2.96 H new ATOM 0 HG2 LYS A 59 -4.732 25.328 -21.412 1.00 3.11 H new ATOM 0 HG3 LYS A 59 -5.467 23.739 -21.329 1.00 3.11 H new ATOM 0 HD2 LYS A 59 -6.920 24.434 -22.951 1.00 2.94 H new ATOM 0 HD3 LYS A 59 -7.671 25.451 -21.737 1.00 2.94 H new ATOM 0 HE2 LYS A 59 -7.073 26.987 -23.504 1.00 2.89 H new ATOM 0 HE3 LYS A 59 -5.815 27.219 -22.306 1.00 2.89 H new ATOM 0 HZ1 LYS A 59 -4.271 26.151 -23.582 1.00 2.93 H new ATOM 0 HZ2 LYS A 59 -5.372 24.994 -24.159 1.00 2.93 H new ATOM 0 HZ3 LYS A 59 -5.315 26.538 -24.863 1.00 2.93 H new ATOM 885 N GLU A 60 -2.826 25.701 -19.238 1.00 2.27 N ATOM 886 CA GLU A 60 -1.760 26.759 -19.214 1.00 2.01 C ATOM 887 C GLU A 60 -1.693 27.431 -17.825 1.00 1.86 C ATOM 888 O GLU A 60 -1.915 28.621 -17.698 1.00 1.93 O ATOM 889 CB GLU A 60 -2.175 27.764 -20.298 1.00 2.19 C ATOM 890 CG GLU A 60 -1.420 27.463 -21.603 1.00 2.38 C ATOM 891 CD GLU A 60 -2.195 26.429 -22.424 1.00 2.61 C ATOM 892 OE1 GLU A 60 -1.953 25.250 -22.235 1.00 2.75 O ATOM 893 OE2 GLU A 60 -3.025 26.833 -23.225 1.00 2.82 O ATOM 0 H GLU A 60 -2.540 24.816 -19.658 1.00 2.27 H new ATOM 0 HA GLU A 60 -0.767 26.351 -19.402 1.00 2.01 H new ATOM 0 HB2 GLU A 60 -3.250 27.707 -20.468 1.00 2.19 H new ATOM 0 HB3 GLU A 60 -1.958 28.780 -19.967 1.00 2.19 H new ATOM 0 HG2 GLU A 60 -1.294 28.379 -22.180 1.00 2.38 H new ATOM 0 HG3 GLU A 60 -0.422 27.088 -21.378 1.00 2.38 H new ATOM 900 N PRO A 61 -1.391 26.637 -16.820 1.00 1.81 N ATOM 901 CA PRO A 61 -1.309 27.169 -15.433 1.00 1.83 C ATOM 902 C PRO A 61 -0.083 28.080 -15.255 1.00 1.60 C ATOM 903 O PRO A 61 -0.127 29.047 -14.520 1.00 1.75 O ATOM 904 CB PRO A 61 -1.203 25.910 -14.573 1.00 2.01 C ATOM 905 CG PRO A 61 -0.647 24.857 -15.476 1.00 2.01 C ATOM 906 CD PRO A 61 -1.095 25.195 -16.876 1.00 1.95 C ATOM 0 HA PRO A 61 -2.164 27.790 -15.166 1.00 1.83 H new ATOM 0 HB2 PRO A 61 -0.552 26.075 -13.714 1.00 2.01 H new ATOM 0 HB3 PRO A 61 -2.178 25.618 -14.183 1.00 2.01 H new ATOM 0 HG2 PRO A 61 0.441 24.832 -15.415 1.00 2.01 H new ATOM 0 HG3 PRO A 61 -1.006 23.870 -15.184 1.00 2.01 H new ATOM 0 HD2 PRO A 61 -0.317 24.976 -17.607 1.00 1.95 H new ATOM 0 HD3 PRO A 61 -1.974 24.618 -17.163 1.00 1.95 H new ATOM 914 N PHE A 62 1.009 27.776 -15.927 1.00 1.32 N ATOM 915 CA PHE A 62 2.259 28.610 -15.816 1.00 1.21 C ATOM 916 C PHE A 62 2.802 28.605 -14.380 1.00 1.24 C ATOM 917 O PHE A 62 3.867 28.076 -14.116 1.00 1.07 O ATOM 918 CB PHE A 62 1.864 30.028 -16.262 1.00 1.42 C ATOM 919 CG PHE A 62 3.092 30.776 -16.740 1.00 1.56 C ATOM 920 CD1 PHE A 62 3.578 30.569 -18.038 1.00 1.82 C ATOM 921 CD2 PHE A 62 3.739 31.680 -15.888 1.00 2.06 C ATOM 922 CE1 PHE A 62 4.709 31.265 -18.482 1.00 2.36 C ATOM 923 CE2 PHE A 62 4.872 32.375 -16.333 1.00 2.55 C ATOM 924 CZ PHE A 62 5.355 32.167 -17.630 1.00 2.63 C ATOM 0 H PHE A 62 1.089 26.976 -16.555 1.00 1.32 H new ATOM 0 HA PHE A 62 3.059 28.211 -16.440 1.00 1.21 H new ATOM 0 HB2 PHE A 62 1.125 29.975 -17.061 1.00 1.42 H new ATOM 0 HB3 PHE A 62 1.400 30.564 -15.434 1.00 1.42 H new ATOM 0 HD1 PHE A 62 3.080 29.872 -18.696 1.00 1.82 H new ATOM 0 HD2 PHE A 62 3.365 31.842 -14.888 1.00 2.06 H new ATOM 0 HE1 PHE A 62 5.083 31.105 -19.483 1.00 2.36 H new ATOM 0 HE2 PHE A 62 5.372 33.071 -15.675 1.00 2.55 H new ATOM 0 HZ PHE A 62 6.227 32.703 -17.973 1.00 2.63 H new ATOM 934 N LEU A 63 2.078 29.174 -13.455 1.00 1.56 N ATOM 935 CA LEU A 63 2.549 29.194 -12.036 1.00 1.68 C ATOM 936 C LEU A 63 2.721 27.760 -11.514 1.00 1.49 C ATOM 937 O LEU A 63 3.613 27.484 -10.728 1.00 1.41 O ATOM 938 CB LEU A 63 1.484 29.976 -11.244 1.00 2.16 C ATOM 939 CG LEU A 63 0.161 29.207 -11.199 1.00 2.33 C ATOM 940 CD1 LEU A 63 0.027 28.489 -9.853 1.00 2.55 C ATOM 941 CD2 LEU A 63 -0.999 30.190 -11.366 1.00 2.74 C ATOM 0 H LEU A 63 1.179 29.627 -13.619 1.00 1.56 H new ATOM 0 HA LEU A 63 3.523 29.673 -11.933 1.00 1.68 H new ATOM 0 HB2 LEU A 63 1.839 30.156 -10.229 1.00 2.16 H new ATOM 0 HB3 LEU A 63 1.327 30.951 -11.704 1.00 2.16 H new ATOM 0 HG LEU A 63 0.141 28.472 -12.004 1.00 2.33 H new ATOM 0 HD11 LEU A 63 -0.916 27.943 -9.824 1.00 2.55 H new ATOM 0 HD12 LEU A 63 0.855 27.791 -9.729 1.00 2.55 H new ATOM 0 HD13 LEU A 63 0.046 29.222 -9.046 1.00 2.55 H new ATOM 0 HD21 LEU A 63 -1.944 29.647 -11.335 1.00 2.74 H new ATOM 0 HD22 LEU A 63 -0.974 30.922 -10.559 1.00 2.74 H new ATOM 0 HD23 LEU A 63 -0.907 30.702 -12.324 1.00 2.74 H new ATOM 953 N LEU A 64 1.905 26.839 -11.973 1.00 1.53 N ATOM 954 CA LEU A 64 2.055 25.419 -11.526 1.00 1.55 C ATOM 955 C LEU A 64 3.388 24.867 -12.038 1.00 1.13 C ATOM 956 O LEU A 64 4.154 24.315 -11.283 1.00 1.04 O ATOM 957 CB LEU A 64 0.879 24.645 -12.130 1.00 1.91 C ATOM 958 CG LEU A 64 0.940 23.189 -11.653 1.00 2.20 C ATOM 959 CD1 LEU A 64 0.043 23.014 -10.426 1.00 2.78 C ATOM 960 CD2 LEU A 64 0.457 22.264 -12.772 1.00 2.46 C ATOM 0 H LEU A 64 1.147 27.009 -12.634 1.00 1.53 H new ATOM 0 HA LEU A 64 2.052 25.331 -10.440 1.00 1.55 H new ATOM 0 HB2 LEU A 64 -0.065 25.100 -11.830 1.00 1.91 H new ATOM 0 HB3 LEU A 64 0.921 24.686 -13.218 1.00 1.91 H new ATOM 0 HG LEU A 64 1.968 22.937 -11.391 1.00 2.20 H new ATOM 0 HD11 LEU A 64 0.087 21.979 -10.088 1.00 2.78 H new ATOM 0 HD12 LEU A 64 0.386 23.672 -9.627 1.00 2.78 H new ATOM 0 HD13 LEU A 64 -0.985 23.267 -10.687 1.00 2.78 H new ATOM 0 HD21 LEU A 64 0.500 21.229 -12.433 1.00 2.46 H new ATOM 0 HD22 LEU A 64 -0.570 22.517 -13.035 1.00 2.46 H new ATOM 0 HD23 LEU A 64 1.096 22.386 -13.646 1.00 2.46 H new ATOM 972 N VAL A 65 3.689 25.042 -13.307 1.00 0.99 N ATOM 973 CA VAL A 65 5.007 24.549 -13.828 1.00 0.89 C ATOM 974 C VAL A 65 6.116 25.376 -13.186 1.00 0.73 C ATOM 975 O VAL A 65 7.190 24.886 -12.909 1.00 0.89 O ATOM 976 CB VAL A 65 5.015 24.768 -15.343 1.00 1.04 C ATOM 977 CG1 VAL A 65 6.189 23.996 -15.956 1.00 1.45 C ATOM 978 CG2 VAL A 65 3.707 24.270 -15.973 1.00 1.34 C ATOM 0 H VAL A 65 3.089 25.498 -13.994 1.00 0.99 H new ATOM 0 HA VAL A 65 5.159 23.495 -13.598 1.00 0.89 H new ATOM 0 HB VAL A 65 5.116 25.835 -15.540 1.00 1.04 H new ATOM 0 HG11 VAL A 65 6.200 24.148 -17.035 1.00 1.45 H new ATOM 0 HG12 VAL A 65 7.125 24.357 -15.529 1.00 1.45 H new ATOM 0 HG13 VAL A 65 6.078 22.933 -15.740 1.00 1.45 H new ATOM 0 HG21 VAL A 65 3.736 24.436 -17.050 1.00 1.34 H new ATOM 0 HG22 VAL A 65 3.589 23.205 -15.773 1.00 1.34 H new ATOM 0 HG23 VAL A 65 2.866 24.815 -15.544 1.00 1.34 H new ATOM 988 N GLN A 66 5.846 26.633 -12.933 1.00 0.79 N ATOM 989 CA GLN A 66 6.869 27.501 -12.282 1.00 1.12 C ATOM 990 C GLN A 66 7.206 26.917 -10.915 1.00 1.11 C ATOM 991 O GLN A 66 8.347 26.565 -10.656 1.00 1.27 O ATOM 992 CB GLN A 66 6.226 28.886 -12.155 1.00 1.43 C ATOM 993 CG GLN A 66 6.459 29.675 -13.451 1.00 1.63 C ATOM 994 CD GLN A 66 7.903 30.190 -13.502 1.00 2.11 C ATOM 995 OE1 GLN A 66 8.811 29.554 -13.000 1.00 2.11 O ATOM 996 NE2 GLN A 66 8.159 31.319 -14.098 1.00 2.70 N ATOM 0 H GLN A 66 4.962 27.093 -13.150 1.00 0.79 H new ATOM 0 HA GLN A 66 7.796 27.565 -12.851 1.00 1.12 H new ATOM 0 HB2 GLN A 66 5.158 28.787 -11.963 1.00 1.43 H new ATOM 0 HB3 GLN A 66 6.654 29.422 -11.308 1.00 1.43 H new ATOM 0 HG2 GLN A 66 6.261 29.039 -14.314 1.00 1.63 H new ATOM 0 HG3 GLN A 66 5.764 30.513 -13.506 1.00 1.63 H new ATOM 0 HE21 GLN A 66 7.402 31.856 -14.520 1.00 2.70 H new ATOM 0 HE22 GLN A 66 9.117 31.666 -14.143 1.00 2.70 H new ATOM 1005 N TYR A 67 6.221 26.774 -10.060 1.00 1.07 N ATOM 1006 CA TYR A 67 6.472 26.165 -8.713 1.00 1.11 C ATOM 1007 C TYR A 67 6.940 24.720 -8.915 1.00 0.80 C ATOM 1008 O TYR A 67 7.860 24.258 -8.268 1.00 0.86 O ATOM 1009 CB TYR A 67 5.125 26.228 -7.956 1.00 1.37 C ATOM 1010 CG TYR A 67 4.868 24.917 -7.237 1.00 1.39 C ATOM 1011 CD1 TYR A 67 5.493 24.651 -6.010 1.00 1.55 C ATOM 1012 CD2 TYR A 67 4.024 23.960 -7.811 1.00 1.45 C ATOM 1013 CE1 TYR A 67 5.271 23.427 -5.360 1.00 1.69 C ATOM 1014 CE2 TYR A 67 3.798 22.741 -7.158 1.00 1.70 C ATOM 1015 CZ TYR A 67 4.425 22.474 -5.936 1.00 1.79 C ATOM 1016 OH TYR A 67 4.212 21.268 -5.294 1.00 2.08 O ATOM 0 H TYR A 67 5.255 27.052 -10.236 1.00 1.07 H new ATOM 0 HA TYR A 67 7.242 26.686 -8.145 1.00 1.11 H new ATOM 0 HB2 TYR A 67 5.141 27.048 -7.238 1.00 1.37 H new ATOM 0 HB3 TYR A 67 4.315 26.432 -8.656 1.00 1.37 H new ATOM 0 HD1 TYR A 67 6.145 25.388 -5.565 1.00 1.55 H new ATOM 0 HD2 TYR A 67 3.546 24.161 -8.758 1.00 1.45 H new ATOM 0 HE1 TYR A 67 5.753 23.221 -4.416 1.00 1.69 H new ATOM 0 HE2 TYR A 67 3.139 22.007 -7.598 1.00 1.70 H new ATOM 0 HH TYR A 67 4.018 20.574 -5.958 1.00 2.08 H new ATOM 1026 N SER A 68 6.320 24.022 -9.836 1.00 0.72 N ATOM 1027 CA SER A 68 6.726 22.613 -10.132 1.00 0.91 C ATOM 1028 C SER A 68 8.222 22.592 -10.424 1.00 1.08 C ATOM 1029 O SER A 68 8.934 21.743 -9.947 1.00 1.30 O ATOM 1030 CB SER A 68 5.927 22.189 -11.366 1.00 1.17 C ATOM 1031 OG SER A 68 6.357 20.899 -11.787 1.00 1.68 O ATOM 0 H SER A 68 5.545 24.371 -10.399 1.00 0.72 H new ATOM 0 HA SER A 68 6.531 21.936 -9.300 1.00 0.91 H new ATOM 0 HB2 SER A 68 4.862 22.172 -11.135 1.00 1.17 H new ATOM 0 HB3 SER A 68 6.067 22.912 -12.170 1.00 1.17 H new ATOM 0 HG SER A 68 5.845 20.625 -12.577 1.00 1.68 H new ATOM 1037 N ALA A 69 8.707 23.550 -11.183 1.00 1.15 N ATOM 1038 CA ALA A 69 10.174 23.600 -11.460 1.00 1.59 C ATOM 1039 C ALA A 69 10.915 24.042 -10.188 1.00 1.68 C ATOM 1040 O ALA A 69 11.977 23.539 -9.870 1.00 1.98 O ATOM 1041 CB ALA A 69 10.350 24.626 -12.586 1.00 1.77 C ATOM 0 H ALA A 69 8.154 24.290 -11.616 1.00 1.15 H new ATOM 0 HA ALA A 69 10.578 22.631 -11.753 1.00 1.59 H new ATOM 0 HB1 ALA A 69 11.407 24.711 -12.838 1.00 1.77 H new ATOM 0 HB2 ALA A 69 9.792 24.301 -13.464 1.00 1.77 H new ATOM 0 HB3 ALA A 69 9.976 25.595 -12.257 1.00 1.77 H new ATOM 1047 N LYS A 70 10.349 24.971 -9.451 1.00 1.53 N ATOM 1048 CA LYS A 70 11.004 25.442 -8.183 1.00 1.78 C ATOM 1049 C LYS A 70 11.211 24.270 -7.229 1.00 1.65 C ATOM 1050 O LYS A 70 12.294 24.054 -6.737 1.00 1.94 O ATOM 1051 CB LYS A 70 10.041 26.450 -7.538 1.00 1.78 C ATOM 1052 CG LYS A 70 9.815 27.679 -8.429 1.00 2.00 C ATOM 1053 CD LYS A 70 11.006 27.914 -9.367 1.00 2.31 C ATOM 1054 CE LYS A 70 10.611 28.941 -10.426 1.00 2.43 C ATOM 1055 NZ LYS A 70 10.121 28.134 -11.578 1.00 2.07 N ATOM 0 H LYS A 70 9.462 25.424 -9.672 1.00 1.53 H new ATOM 0 HA LYS A 70 11.976 25.888 -8.394 1.00 1.78 H new ATOM 0 HB2 LYS A 70 9.085 25.964 -7.341 1.00 1.78 H new ATOM 0 HB3 LYS A 70 10.441 26.769 -6.575 1.00 1.78 H new ATOM 0 HG2 LYS A 70 8.908 27.542 -9.017 1.00 2.00 H new ATOM 0 HG3 LYS A 70 9.661 28.560 -7.805 1.00 2.00 H new ATOM 0 HD2 LYS A 70 11.867 28.270 -8.801 1.00 2.31 H new ATOM 0 HD3 LYS A 70 11.301 26.978 -9.842 1.00 2.31 H new ATOM 0 HE2 LYS A 70 9.836 29.612 -10.056 1.00 2.43 H new ATOM 0 HE3 LYS A 70 11.461 29.561 -10.711 1.00 2.43 H new ATOM 0 HZ1 LYS A 70 9.516 28.725 -12.184 1.00 2.07 H new ATOM 0 HZ2 LYS A 70 10.932 27.789 -12.130 1.00 2.07 H new ATOM 0 HZ3 LYS A 70 9.572 27.324 -11.226 1.00 2.07 H new ATOM 1069 N GLY A 71 10.165 23.531 -6.964 1.00 1.28 N ATOM 1070 CA GLY A 71 10.246 22.352 -6.024 1.00 1.23 C ATOM 1071 C GLY A 71 11.610 21.651 -6.139 1.00 1.59 C ATOM 1072 O GLY A 71 12.412 21.706 -5.223 1.00 1.75 O ATOM 0 H GLY A 71 9.239 23.690 -7.362 1.00 1.28 H new ATOM 0 HA2 GLY A 71 10.091 22.688 -4.999 1.00 1.23 H new ATOM 0 HA3 GLY A 71 9.449 21.645 -6.252 1.00 1.23 H new ATOM 1076 N PRO A 72 11.835 21.025 -7.271 1.00 1.80 N ATOM 1077 CA PRO A 72 13.120 20.320 -7.514 1.00 2.26 C ATOM 1078 C PRO A 72 14.273 21.330 -7.590 1.00 2.55 C ATOM 1079 O PRO A 72 15.345 21.078 -7.087 1.00 2.86 O ATOM 1080 CB PRO A 72 12.895 19.605 -8.847 1.00 2.48 C ATOM 1081 CG PRO A 72 11.816 20.388 -9.517 1.00 2.18 C ATOM 1082 CD PRO A 72 10.934 20.920 -8.419 1.00 1.74 C ATOM 0 HA PRO A 72 13.393 19.624 -6.721 1.00 2.26 H new ATOM 0 HB2 PRO A 72 13.805 19.590 -9.447 1.00 2.48 H new ATOM 0 HB3 PRO A 72 12.596 18.568 -8.695 1.00 2.48 H new ATOM 0 HG2 PRO A 72 12.236 21.203 -10.107 1.00 2.18 H new ATOM 0 HG3 PRO A 72 11.247 19.759 -10.202 1.00 2.18 H new ATOM 0 HD2 PRO A 72 10.506 21.887 -8.682 1.00 1.74 H new ATOM 0 HD3 PRO A 72 10.101 20.248 -8.214 1.00 1.74 H new ATOM 1090 N CYS A 73 14.059 22.481 -8.185 1.00 2.52 N ATOM 1091 CA CYS A 73 15.155 23.503 -8.243 1.00 2.92 C ATOM 1092 C CYS A 73 15.534 23.925 -6.817 1.00 2.97 C ATOM 1093 O CYS A 73 16.694 24.071 -6.483 1.00 3.36 O ATOM 1094 CB CYS A 73 14.577 24.688 -9.026 1.00 2.87 C ATOM 1095 SG CYS A 73 15.898 25.871 -9.393 1.00 3.60 S ATOM 0 H CYS A 73 13.182 22.755 -8.629 1.00 2.52 H new ATOM 0 HA CYS A 73 16.056 23.120 -8.722 1.00 2.92 H new ATOM 0 HB2 CYS A 73 14.120 24.338 -9.952 1.00 2.87 H new ATOM 0 HB3 CYS A 73 13.791 25.172 -8.446 1.00 2.87 H new ATOM 0 HG CYS A 73 15.409 26.875 -10.059 1.00 3.60 H new ATOM 1101 N VAL A 74 14.552 24.094 -5.974 1.00 2.64 N ATOM 1102 CA VAL A 74 14.809 24.480 -4.553 1.00 2.75 C ATOM 1103 C VAL A 74 15.321 23.269 -3.781 1.00 2.75 C ATOM 1104 O VAL A 74 16.322 23.343 -3.098 1.00 3.09 O ATOM 1105 CB VAL A 74 13.460 24.963 -4.006 1.00 2.44 C ATOM 1106 CG1 VAL A 74 13.547 25.140 -2.488 1.00 2.58 C ATOM 1107 CG2 VAL A 74 13.107 26.308 -4.648 1.00 2.61 C ATOM 0 H VAL A 74 13.567 23.980 -6.212 1.00 2.64 H new ATOM 0 HA VAL A 74 15.565 25.259 -4.460 1.00 2.75 H new ATOM 0 HB VAL A 74 12.693 24.225 -4.241 1.00 2.44 H new ATOM 0 HG11 VAL A 74 12.586 25.483 -2.106 1.00 2.58 H new ATOM 0 HG12 VAL A 74 13.802 24.187 -2.025 1.00 2.58 H new ATOM 0 HG13 VAL A 74 14.315 25.876 -2.251 1.00 2.58 H new ATOM 0 HG21 VAL A 74 12.149 26.655 -4.262 1.00 2.61 H new ATOM 0 HG22 VAL A 74 13.880 27.039 -4.410 1.00 2.61 H new ATOM 0 HG23 VAL A 74 13.041 26.189 -5.729 1.00 2.61 H new ATOM 1117 N GLU A 75 14.661 22.148 -3.912 1.00 2.43 N ATOM 1118 CA GLU A 75 15.138 20.912 -3.212 1.00 2.51 C ATOM 1119 C GLU A 75 16.575 20.623 -3.657 1.00 3.01 C ATOM 1120 O GLU A 75 17.433 20.292 -2.863 1.00 3.24 O ATOM 1121 CB GLU A 75 14.185 19.798 -3.662 1.00 2.29 C ATOM 1122 CG GLU A 75 14.254 18.622 -2.678 1.00 2.30 C ATOM 1123 CD GLU A 75 15.502 17.778 -2.947 1.00 2.78 C ATOM 1124 OE1 GLU A 75 15.646 17.292 -4.060 1.00 3.08 O ATOM 1125 OE2 GLU A 75 16.295 17.617 -2.031 1.00 2.92 O ATOM 0 H GLU A 75 13.815 22.032 -4.470 1.00 2.43 H new ATOM 0 HA GLU A 75 15.140 21.005 -2.126 1.00 2.51 H new ATOM 0 HB2 GLU A 75 13.165 20.179 -3.715 1.00 2.29 H new ATOM 0 HB3 GLU A 75 14.452 19.461 -4.664 1.00 2.29 H new ATOM 0 HG2 GLU A 75 14.273 18.996 -1.654 1.00 2.30 H new ATOM 0 HG3 GLU A 75 13.361 18.005 -2.775 1.00 2.30 H new ATOM 1132 N ARG A 76 16.841 20.789 -4.924 1.00 3.21 N ATOM 1133 CA ARG A 76 18.217 20.568 -5.457 1.00 3.73 C ATOM 1134 C ARG A 76 19.176 21.612 -4.866 1.00 4.01 C ATOM 1135 O ARG A 76 20.245 21.278 -4.402 1.00 4.31 O ATOM 1136 CB ARG A 76 18.084 20.730 -6.978 1.00 3.86 C ATOM 1137 CG ARG A 76 19.450 21.032 -7.606 1.00 4.13 C ATOM 1138 CD ARG A 76 19.340 20.904 -9.128 1.00 4.83 C ATOM 1139 NE ARG A 76 20.573 20.170 -9.540 1.00 4.55 N ATOM 1140 CZ ARG A 76 20.482 19.040 -10.165 1.00 5.00 C ATOM 1141 NH1 ARG A 76 20.257 17.951 -9.500 1.00 5.28 N ATOM 1142 NH2 ARG A 76 20.610 19.007 -11.452 1.00 5.36 N ATOM 0 H ARG A 76 16.154 21.072 -5.623 1.00 3.21 H new ATOM 0 HA ARG A 76 18.620 19.589 -5.196 1.00 3.73 H new ATOM 0 HB2 ARG A 76 17.671 19.820 -7.412 1.00 3.86 H new ATOM 0 HB3 ARG A 76 17.386 21.536 -7.204 1.00 3.86 H new ATOM 0 HG2 ARG A 76 19.775 22.037 -7.335 1.00 4.13 H new ATOM 0 HG3 ARG A 76 20.201 20.341 -7.224 1.00 4.13 H new ATOM 0 HD2 ARG A 76 18.441 20.359 -9.415 1.00 4.83 H new ATOM 0 HD3 ARG A 76 19.285 21.883 -9.604 1.00 4.83 H new ATOM 0 HE ARG A 76 21.491 20.561 -9.328 1.00 4.55 H new ATOM 0 HH11 ARG A 76 20.152 17.985 -8.486 1.00 5.28 H new ATOM 0 HH12 ARG A 76 20.185 17.060 -9.990 1.00 5.28 H new ATOM 0 HH21 ARG A 76 20.782 19.869 -11.970 1.00 5.36 H new ATOM 0 HH22 ARG A 76 20.539 18.119 -11.949 1.00 5.36 H new ATOM 1156 N LYS A 77 18.797 22.868 -4.861 1.00 3.96 N ATOM 1157 CA LYS A 77 19.692 23.919 -4.276 1.00 4.31 C ATOM 1158 C LYS A 77 19.874 23.666 -2.777 1.00 4.26 C ATOM 1159 O LYS A 77 20.954 23.820 -2.237 1.00 4.62 O ATOM 1160 CB LYS A 77 18.973 25.253 -4.514 1.00 4.24 C ATOM 1161 CG LYS A 77 19.529 25.923 -5.778 1.00 4.62 C ATOM 1162 CD LYS A 77 20.926 26.496 -5.502 1.00 5.05 C ATOM 1163 CE LYS A 77 20.840 27.604 -4.444 1.00 5.15 C ATOM 1164 NZ LYS A 77 21.637 27.097 -3.285 1.00 5.40 N ATOM 0 H LYS A 77 17.912 23.210 -5.234 1.00 3.96 H new ATOM 0 HA LYS A 77 20.683 23.915 -4.730 1.00 4.31 H new ATOM 0 HB2 LYS A 77 17.901 25.085 -4.621 1.00 4.24 H new ATOM 0 HB3 LYS A 77 19.109 25.909 -3.654 1.00 4.24 H new ATOM 0 HG2 LYS A 77 19.579 25.198 -6.591 1.00 4.62 H new ATOM 0 HG3 LYS A 77 18.859 26.719 -6.102 1.00 4.62 H new ATOM 0 HD2 LYS A 77 21.591 25.704 -5.158 1.00 5.05 H new ATOM 0 HD3 LYS A 77 21.353 26.893 -6.423 1.00 5.05 H new ATOM 0 HE2 LYS A 77 21.246 28.542 -4.822 1.00 5.15 H new ATOM 0 HE3 LYS A 77 19.806 27.797 -4.158 1.00 5.15 H new ATOM 0 HZ1 LYS A 77 21.625 27.802 -2.520 1.00 5.40 H new ATOM 0 HZ2 LYS A 77 21.223 26.207 -2.942 1.00 5.40 H new ATOM 0 HZ3 LYS A 77 22.618 26.929 -3.585 1.00 5.40 H new ATOM 1178 N ALA A 78 18.821 23.270 -2.115 1.00 3.83 N ATOM 1179 CA ALA A 78 18.897 22.988 -0.648 1.00 3.78 C ATOM 1180 C ALA A 78 19.721 21.725 -0.393 1.00 3.92 C ATOM 1181 O ALA A 78 20.590 21.710 0.453 1.00 4.18 O ATOM 1182 CB ALA A 78 17.450 22.790 -0.200 1.00 3.30 C ATOM 0 H ALA A 78 17.900 23.128 -2.530 1.00 3.83 H new ATOM 0 HA ALA A 78 19.381 23.796 -0.099 1.00 3.78 H new ATOM 0 HB1 ALA A 78 17.426 22.578 0.869 1.00 3.30 H new ATOM 0 HB2 ALA A 78 16.879 23.696 -0.404 1.00 3.30 H new ATOM 0 HB3 ALA A 78 17.011 21.954 -0.745 1.00 3.30 H new ATOM 1188 N LYS A 79 19.462 20.677 -1.126 1.00 3.80 N ATOM 1189 CA LYS A 79 20.244 19.418 -0.933 1.00 4.03 C ATOM 1190 C LYS A 79 21.691 19.631 -1.423 1.00 4.55 C ATOM 1191 O LYS A 79 22.635 19.176 -0.801 1.00 4.81 O ATOM 1192 CB LYS A 79 19.498 18.333 -1.747 1.00 3.88 C ATOM 1193 CG LYS A 79 19.959 18.325 -3.213 1.00 4.18 C ATOM 1194 CD LYS A 79 19.009 17.458 -4.054 1.00 4.04 C ATOM 1195 CE LYS A 79 19.033 16.013 -3.552 1.00 4.13 C ATOM 1196 NZ LYS A 79 17.635 15.746 -3.107 1.00 3.84 N ATOM 0 H LYS A 79 18.744 20.636 -1.850 1.00 3.80 H new ATOM 0 HA LYS A 79 20.316 19.118 0.112 1.00 4.03 H new ATOM 0 HB2 LYS A 79 19.675 17.354 -1.302 1.00 3.88 H new ATOM 0 HB3 LYS A 79 18.424 18.514 -1.701 1.00 3.88 H new ATOM 0 HG2 LYS A 79 19.978 19.343 -3.603 1.00 4.18 H new ATOM 0 HG3 LYS A 79 20.976 17.938 -3.282 1.00 4.18 H new ATOM 0 HD2 LYS A 79 17.995 17.854 -3.996 1.00 4.04 H new ATOM 0 HD3 LYS A 79 19.305 17.492 -5.102 1.00 4.04 H new ATOM 0 HE2 LYS A 79 19.336 15.324 -4.341 1.00 4.13 H new ATOM 0 HE3 LYS A 79 19.740 15.890 -2.732 1.00 4.13 H new ATOM 0 HZ1 LYS A 79 17.544 14.749 -2.827 1.00 3.84 H new ATOM 0 HZ2 LYS A 79 17.406 16.356 -2.296 1.00 3.84 H new ATOM 0 HZ3 LYS A 79 16.978 15.947 -3.888 1.00 3.84 H new ATOM 1210 N LEU A 80 21.868 20.347 -2.512 1.00 4.71 N ATOM 1211 CA LEU A 80 23.242 20.621 -3.033 1.00 5.23 C ATOM 1212 C LEU A 80 24.008 21.479 -2.015 1.00 5.45 C ATOM 1213 O LEU A 80 25.176 21.266 -1.761 1.00 5.84 O ATOM 1214 CB LEU A 80 23.018 21.375 -4.355 1.00 5.28 C ATOM 1215 CG LEU A 80 24.361 21.728 -4.996 1.00 5.78 C ATOM 1216 CD1 LEU A 80 24.489 21.005 -6.340 1.00 5.97 C ATOM 1217 CD2 LEU A 80 24.442 23.240 -5.227 1.00 5.87 C ATOM 0 H LEU A 80 21.112 20.754 -3.063 1.00 4.71 H new ATOM 0 HA LEU A 80 23.832 19.719 -3.191 1.00 5.23 H new ATOM 0 HB2 LEU A 80 22.431 20.760 -5.038 1.00 5.28 H new ATOM 0 HB3 LEU A 80 22.445 22.284 -4.171 1.00 5.28 H new ATOM 0 HG LEU A 80 25.169 21.418 -4.333 1.00 5.78 H new ATOM 0 HD11 LEU A 80 25.446 21.256 -6.798 1.00 5.97 H new ATOM 0 HD12 LEU A 80 24.434 19.928 -6.181 1.00 5.97 H new ATOM 0 HD13 LEU A 80 23.678 21.316 -6.999 1.00 5.97 H new ATOM 0 HD21 LEU A 80 25.400 23.487 -5.684 1.00 5.87 H new ATOM 0 HD22 LEU A 80 23.634 23.551 -5.889 1.00 5.87 H new ATOM 0 HD23 LEU A 80 24.350 23.759 -4.273 1.00 5.87 H new ATOM 1229 N MET A 81 23.340 22.428 -1.415 1.00 5.25 N ATOM 1230 CA MET A 81 23.999 23.293 -0.389 1.00 5.51 C ATOM 1231 C MET A 81 24.122 22.525 0.939 1.00 5.43 C ATOM 1232 O MET A 81 25.115 22.630 1.631 1.00 5.75 O ATOM 1233 CB MET A 81 23.061 24.499 -0.241 1.00 5.36 C ATOM 1234 CG MET A 81 23.705 25.573 0.643 1.00 5.76 C ATOM 1235 SD MET A 81 23.021 27.190 0.205 1.00 5.63 S ATOM 1236 CE MET A 81 24.147 28.200 1.199 1.00 6.25 C ATOM 0 H MET A 81 22.359 22.644 -1.592 1.00 5.25 H new ATOM 0 HA MET A 81 25.007 23.596 -0.672 1.00 5.51 H new ATOM 0 HB2 MET A 81 22.835 24.915 -1.223 1.00 5.36 H new ATOM 0 HB3 MET A 81 22.114 24.180 0.195 1.00 5.36 H new ATOM 0 HG2 MET A 81 23.516 25.357 1.695 1.00 5.76 H new ATOM 0 HG3 MET A 81 24.786 25.573 0.507 1.00 5.76 H new ATOM 0 HE1 MET A 81 23.897 29.254 1.074 1.00 6.25 H new ATOM 0 HE2 MET A 81 24.050 27.927 2.250 1.00 6.25 H new ATOM 0 HE3 MET A 81 25.173 28.029 0.873 1.00 6.25 H new ATOM 1246 N THR A 82 23.113 21.754 1.285 1.00 5.00 N ATOM 1247 CA THR A 82 23.130 20.956 2.563 1.00 4.90 C ATOM 1248 C THR A 82 23.347 21.878 3.780 1.00 5.10 C ATOM 1249 O THR A 82 24.469 22.133 4.173 1.00 5.44 O ATOM 1250 CB THR A 82 24.288 19.952 2.411 1.00 5.16 C ATOM 1251 OG1 THR A 82 23.912 18.922 1.503 1.00 5.07 O ATOM 1252 CG2 THR A 82 24.610 19.313 3.762 1.00 5.14 C ATOM 0 H THR A 82 22.265 21.641 0.729 1.00 5.00 H new ATOM 0 HA THR A 82 22.182 20.445 2.733 1.00 4.90 H new ATOM 0 HB THR A 82 25.163 20.484 2.037 1.00 5.16 H new ATOM 0 HG1 THR A 82 23.671 19.319 0.640 1.00 5.07 H new ATOM 0 HG21 THR A 82 25.430 18.605 3.643 1.00 5.14 H new ATOM 0 HG22 THR A 82 24.900 20.088 4.471 1.00 5.14 H new ATOM 0 HG23 THR A 82 23.730 18.790 4.136 1.00 5.14 H new ATOM 1260 N PRO A 83 22.258 22.342 4.355 1.00 4.93 N ATOM 1261 CA PRO A 83 22.344 23.236 5.546 1.00 5.17 C ATOM 1262 C PRO A 83 22.720 22.471 6.828 1.00 5.15 C ATOM 1263 O PRO A 83 22.590 22.995 7.920 1.00 5.31 O ATOM 1264 CB PRO A 83 20.942 23.806 5.670 1.00 5.06 C ATOM 1265 CG PRO A 83 20.050 22.804 5.005 1.00 4.67 C ATOM 1266 CD PRO A 83 20.870 22.088 3.959 1.00 4.59 C ATOM 0 HA PRO A 83 23.118 23.994 5.424 1.00 5.17 H new ATOM 0 HB2 PRO A 83 20.665 23.947 6.715 1.00 5.06 H new ATOM 0 HB3 PRO A 83 20.869 24.780 5.187 1.00 5.06 H new ATOM 0 HG2 PRO A 83 19.658 22.096 5.735 1.00 4.67 H new ATOM 0 HG3 PRO A 83 19.193 23.298 4.548 1.00 4.67 H new ATOM 0 HD2 PRO A 83 20.650 21.021 3.942 1.00 4.59 H new ATOM 0 HD3 PRO A 83 20.664 22.472 2.960 1.00 4.59 H new ATOM 1274 N ASN A 84 23.210 21.260 6.721 1.00 5.03 N ATOM 1275 CA ASN A 84 23.615 20.496 7.946 1.00 5.06 C ATOM 1276 C ASN A 84 24.916 21.095 8.523 1.00 5.49 C ATOM 1277 O ASN A 84 25.862 20.387 8.821 1.00 5.64 O ATOM 1278 CB ASN A 84 23.839 19.058 7.451 1.00 4.91 C ATOM 1279 CG ASN A 84 23.809 18.082 8.632 1.00 4.83 C ATOM 1280 OD1 ASN A 84 22.867 17.336 8.794 1.00 4.59 O ATOM 1281 ND2 ASN A 84 24.804 18.060 9.468 1.00 5.09 N ATOM 0 H ASN A 84 23.348 20.766 5.839 1.00 5.03 H new ATOM 0 HA ASN A 84 22.870 20.535 8.740 1.00 5.06 H new ATOM 0 HB2 ASN A 84 23.068 18.790 6.728 1.00 4.91 H new ATOM 0 HB3 ASN A 84 24.797 18.988 6.936 1.00 4.91 H new ATOM 0 HD21 ASN A 84 24.792 17.416 10.259 1.00 5.09 H new ATOM 0 HD22 ASN A 84 25.597 18.687 9.333 1.00 5.09 H new ATOM 1288 N GLY A 85 24.962 22.402 8.676 1.00 5.76 N ATOM 1289 CA GLY A 85 26.186 23.074 9.221 1.00 6.25 C ATOM 1290 C GLY A 85 27.414 22.720 8.371 1.00 6.49 C ATOM 1291 O GLY A 85 28.389 22.211 8.890 1.00 6.66 O ATOM 0 H GLY A 85 24.196 23.035 8.444 1.00 5.76 H new ATOM 0 HA2 GLY A 85 26.042 24.154 9.231 1.00 6.25 H new ATOM 0 HA3 GLY A 85 26.349 22.765 10.253 1.00 6.25 H new ATOM 1295 N PRO A 86 27.345 23.011 7.085 1.00 6.57 N ATOM 1296 CA PRO A 86 28.490 22.712 6.183 1.00 6.88 C ATOM 1297 C PRO A 86 29.723 23.535 6.572 1.00 7.43 C ATOM 1298 O PRO A 86 30.842 23.127 6.330 1.00 7.72 O ATOM 1299 CB PRO A 86 27.963 23.063 4.793 1.00 6.85 C ATOM 1300 CG PRO A 86 26.858 24.037 5.042 1.00 6.73 C ATOM 1301 CD PRO A 86 26.234 23.640 6.356 1.00 6.43 C ATOM 0 HA PRO A 86 28.822 21.675 6.237 1.00 6.88 H new ATOM 0 HB2 PRO A 86 28.745 23.501 4.172 1.00 6.85 H new ATOM 0 HB3 PRO A 86 27.600 22.177 4.272 1.00 6.85 H new ATOM 0 HG2 PRO A 86 27.241 25.057 5.085 1.00 6.73 H new ATOM 0 HG3 PRO A 86 26.123 24.006 4.237 1.00 6.73 H new ATOM 0 HD2 PRO A 86 25.840 24.504 6.891 1.00 6.43 H new ATOM 0 HD3 PRO A 86 25.404 22.948 6.214 1.00 6.43 H new ATOM 1309 N GLU A 87 29.535 24.658 7.219 1.00 7.62 N ATOM 1310 CA GLU A 87 30.713 25.467 7.671 1.00 8.19 C ATOM 1311 C GLU A 87 31.473 24.662 8.737 1.00 8.27 C ATOM 1312 O GLU A 87 32.672 24.792 8.904 1.00 8.73 O ATOM 1313 CB GLU A 87 30.141 26.762 8.273 1.00 8.33 C ATOM 1314 CG GLU A 87 29.182 27.438 7.279 1.00 8.28 C ATOM 1315 CD GLU A 87 27.729 27.216 7.714 1.00 7.86 C ATOM 1316 OE1 GLU A 87 27.348 26.068 7.888 1.00 7.49 O ATOM 1317 OE2 GLU A 87 27.021 28.196 7.860 1.00 7.99 O ATOM 0 H GLU A 87 28.623 25.050 7.454 1.00 7.62 H new ATOM 0 HA GLU A 87 31.401 25.697 6.858 1.00 8.19 H new ATOM 0 HB2 GLU A 87 29.614 26.538 9.201 1.00 8.33 H new ATOM 0 HB3 GLU A 87 30.954 27.443 8.525 1.00 8.33 H new ATOM 0 HG2 GLU A 87 29.395 28.506 7.226 1.00 8.28 H new ATOM 0 HG3 GLU A 87 29.336 27.032 6.279 1.00 8.28 H new ATOM 1324 N VAL A 88 30.762 23.816 9.445 1.00 7.85 N ATOM 1325 CA VAL A 88 31.382 22.957 10.497 1.00 7.91 C ATOM 1326 C VAL A 88 31.599 21.534 9.946 1.00 7.71 C ATOM 1327 O VAL A 88 32.553 20.865 10.295 1.00 7.96 O ATOM 1328 CB VAL A 88 30.353 22.942 11.636 1.00 7.59 C ATOM 1329 CG1 VAL A 88 30.883 22.121 12.812 1.00 7.68 C ATOM 1330 CG2 VAL A 88 30.079 24.378 12.099 1.00 7.85 C ATOM 0 H VAL A 88 29.757 23.685 9.333 1.00 7.85 H new ATOM 0 HA VAL A 88 32.354 23.325 10.826 1.00 7.91 H new ATOM 0 HB VAL A 88 29.429 22.491 11.273 1.00 7.59 H new ATOM 0 HG11 VAL A 88 30.145 22.117 13.615 1.00 7.68 H new ATOM 0 HG12 VAL A 88 31.071 21.098 12.486 1.00 7.68 H new ATOM 0 HG13 VAL A 88 31.811 22.562 13.175 1.00 7.68 H new ATOM 0 HG21 VAL A 88 29.348 24.366 12.908 1.00 7.85 H new ATOM 0 HG22 VAL A 88 31.006 24.829 12.454 1.00 7.85 H new ATOM 0 HG23 VAL A 88 29.688 24.961 11.265 1.00 7.85 H new ATOM 1340 N HIS A 89 30.712 21.071 9.089 1.00 7.33 N ATOM 1341 CA HIS A 89 30.847 19.695 8.510 1.00 7.21 C ATOM 1342 C HIS A 89 31.837 19.694 7.332 1.00 7.64 C ATOM 1343 O HIS A 89 32.757 18.900 7.291 1.00 7.95 O ATOM 1344 CB HIS A 89 29.434 19.337 8.028 1.00 6.70 C ATOM 1345 CG HIS A 89 29.429 17.971 7.392 1.00 6.62 C ATOM 1346 ND1 HIS A 89 29.885 17.748 6.100 1.00 6.86 N ATOM 1347 CD2 HIS A 89 29.006 16.749 7.854 1.00 6.42 C ATOM 1348 CE1 HIS A 89 29.720 16.438 5.833 1.00 6.82 C ATOM 1349 NE2 HIS A 89 29.189 15.784 6.868 1.00 6.56 N ATOM 0 H HIS A 89 29.897 21.593 8.766 1.00 7.33 H new ATOM 0 HA HIS A 89 31.231 18.979 9.236 1.00 7.21 H new ATOM 0 HB2 HIS A 89 28.740 19.357 8.868 1.00 6.70 H new ATOM 0 HB3 HIS A 89 29.088 20.081 7.311 1.00 6.70 H new ATOM 0 HD1 HIS A 89 30.274 18.448 5.468 1.00 6.86 H new ATOM 0 HD2 HIS A 89 28.593 16.565 8.835 1.00 6.42 H new ATOM 0 HE1 HIS A 89 29.985 15.973 4.895 1.00 6.82 H new ATOM 1357 N GLY A 90 31.645 20.565 6.372 1.00 7.72 N ATOM 1358 CA GLY A 90 32.560 20.604 5.189 1.00 8.16 C ATOM 1359 C GLY A 90 31.861 19.976 3.978 1.00 7.97 C ATOM 1360 O GLY A 90 32.160 20.387 2.870 1.00 8.29 O ATOM 1361 OXT GLY A 90 31.036 19.094 4.180 1.00 7.56 O ATOM 0 H GLY A 90 30.892 21.253 6.357 1.00 7.72 H new ATOM 0 HA2 GLY A 90 32.840 21.634 4.967 1.00 8.16 H new ATOM 0 HA3 GLY A 90 33.481 20.064 5.411 1.00 8.16 H new TER 1365 GLY A 90