USER MOD reduce.3.24.130724 H: found=0, std=0, add=737, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 737 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 32 LYS NZ :NH3+ 137:sc= 1.2 (180deg=0) USER MOD Set 1.2: A 82 SER OG : rot 40:sc= 1.77 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -172:sc= -1.83! (180deg=-2.03!) USER MOD Single : A 3 GLN : amide:sc= -0.132 X(o=-0.13,f=-0.56) USER MOD Single : A 11 SER OG : rot 3:sc= 1.18 USER MOD Single : A 14 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 16 THR OG1 : rot 180:sc= -1.09 USER MOD Single : A 18 GLN : amide:sc= -1.56! K(o=-1.6!,f=-0.048) USER MOD Single : A 22 THR OG1 : rot 180:sc=-0.00781 USER MOD Single : A 30 SER OG : rot 74:sc= 0.625 USER MOD Single : A 31 TYR OH : rot -140:sc= -0.205 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 GLN : amide:sc= -1.1 K(o=-1.1,f=-0.18) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0.0633 USER MOD Single : A 58 GLN : amide:sc= -1.21! C(o=-1.2!,f=-1.4!) USER MOD Single : A 61 THR OG1 : rot 180:sc= -0.813 USER MOD Single : A 64 ASN : amide:sc= -1.09 K(o=-1.1,f=-5.6!) USER MOD Single : A 69 TYR OH : rot 180:sc= -0.46 USER MOD Single : A 70 SER OG : rot 180:sc=-0.00521 USER MOD Single : A 71 SER OG : rot 180:sc= 0.00573 USER MOD Single : A 73 ASN : amide:sc= -0.527 K(o=-0.53,f=-1.3) USER MOD Single : A 75 TYR OH : rot -164:sc= 1.27 USER MOD Single : A 85 SER OG : rot 180:sc= 0.0155 USER MOD Single : A 87 THR OG1 : rot 180:sc= -0.0284 USER MOD Single : A 89 GLN : amide:sc= 0 K(o=0,f=-0.72) USER MOD Single : A 91 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 96 THR OG1 : rot -86:sc= 0.289 USER MOD Single : A 98 LYS NZ :NH3+ -119:sc= 0.897 (180deg=-0.394) USER MOD Single : A 101 HIS : no HD1:sc= 0.334 K(o=0.33,f=-7.1!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 16.966 -2.372 4.200 1.00 1.09 N ATOM 2 CA MET A 1 17.113 -0.906 4.037 1.00 0.39 C ATOM 3 C MET A 1 15.829 -0.269 3.505 1.00 0.30 C ATOM 4 O MET A 1 15.801 0.928 3.212 1.00 0.45 O ATOM 5 CB MET A 1 18.277 -0.587 3.096 1.00 1.38 C ATOM 6 CG MET A 1 19.619 -1.087 3.600 1.00 2.13 C ATOM 7 SD MET A 1 20.020 -0.446 5.237 1.00 3.23 S ATOM 8 CE MET A 1 21.570 -1.288 5.558 1.00 3.75 C ATOM 0 H1 MET A 1 17.802 -2.753 4.687 1.00 1.09 H new ATOM 0 H2 MET A 1 16.115 -2.575 4.763 1.00 1.09 H new ATOM 0 H3 MET A 1 16.877 -2.818 3.265 1.00 1.09 H new ATOM 0 HA MET A 1 17.319 -0.486 5.022 1.00 0.39 H new ATOM 0 HB2 MET A 1 18.077 -1.030 2.120 1.00 1.38 H new ATOM 0 HB3 MET A 1 18.331 0.492 2.951 1.00 1.38 H new ATOM 0 HG2 MET A 1 19.609 -2.176 3.632 1.00 2.13 H new ATOM 0 HG3 MET A 1 20.400 -0.796 2.897 1.00 2.13 H new ATOM 0 HE1 MET A 1 21.947 -0.995 6.538 1.00 3.75 H new ATOM 0 HE2 MET A 1 21.409 -2.366 5.539 1.00 3.75 H new ATOM 0 HE3 MET A 1 22.297 -1.016 4.793 1.00 3.75 H new ATOM 20 N VAL A 2 14.765 -1.056 3.383 1.00 0.15 N ATOM 21 CA VAL A 2 13.485 -0.523 2.941 1.00 0.10 C ATOM 22 C VAL A 2 12.488 -0.517 4.101 1.00 0.09 C ATOM 23 O VAL A 2 12.543 -1.369 4.984 1.00 0.12 O ATOM 24 CB VAL A 2 12.886 -1.309 1.746 1.00 0.08 C ATOM 25 CG1 VAL A 2 11.663 -0.594 1.224 1.00 0.08 C ATOM 26 CG2 VAL A 2 13.895 -1.484 0.626 1.00 0.09 C ATOM 0 H VAL A 2 14.764 -2.056 3.582 1.00 0.15 H new ATOM 0 HA VAL A 2 13.671 0.495 2.600 1.00 0.10 H new ATOM 0 HB VAL A 2 12.610 -2.300 2.105 1.00 0.08 H new ATOM 0 HG11 VAL A 2 11.247 -1.151 0.385 1.00 0.08 H new ATOM 0 HG12 VAL A 2 10.918 -0.521 2.016 1.00 0.08 H new ATOM 0 HG13 VAL A 2 11.940 0.407 0.894 1.00 0.08 H new ATOM 0 HG21 VAL A 2 13.437 -2.039 -0.193 1.00 0.09 H new ATOM 0 HG22 VAL A 2 14.214 -0.505 0.267 1.00 0.09 H new ATOM 0 HG23 VAL A 2 14.760 -2.033 0.998 1.00 0.09 H new ATOM 36 N GLN A 3 11.590 0.455 4.081 1.00 0.09 N ATOM 37 CA GLN A 3 10.583 0.658 5.103 1.00 0.10 C ATOM 38 C GLN A 3 9.231 0.615 4.437 1.00 0.11 C ATOM 39 O GLN A 3 9.149 0.646 3.211 1.00 0.17 O ATOM 40 CB GLN A 3 10.753 2.020 5.766 1.00 0.16 C ATOM 41 CG GLN A 3 12.044 2.220 6.513 1.00 0.79 C ATOM 42 CD GLN A 3 12.324 1.140 7.541 1.00 1.14 C ATOM 43 OE1 GLN A 3 13.002 0.152 7.261 1.00 1.37 O ATOM 44 NE2 GLN A 3 11.799 1.318 8.741 1.00 2.03 N ATOM 0 H GLN A 3 11.543 1.143 3.330 1.00 0.09 H new ATOM 0 HA GLN A 3 10.679 -0.117 5.864 1.00 0.10 H new ATOM 0 HB2 GLN A 3 10.674 2.790 4.999 1.00 0.16 H new ATOM 0 HB3 GLN A 3 9.925 2.174 6.458 1.00 0.16 H new ATOM 0 HG2 GLN A 3 12.866 2.252 5.798 1.00 0.79 H new ATOM 0 HG3 GLN A 3 12.019 3.188 7.013 1.00 0.79 H new ATOM 0 HE21 GLN A 3 11.242 2.150 8.936 1.00 2.03 H new ATOM 0 HE22 GLN A 3 11.951 0.623 9.472 1.00 2.03 H new ATOM 53 N CYS A 4 8.166 0.543 5.206 1.00 0.12 N ATOM 54 CA CYS A 4 6.874 0.442 4.587 1.00 0.13 C ATOM 55 C CYS A 4 5.795 1.225 5.310 1.00 0.17 C ATOM 56 O CYS A 4 5.927 1.582 6.481 1.00 0.29 O ATOM 57 CB CYS A 4 6.496 -1.026 4.401 1.00 0.17 C ATOM 58 SG CYS A 4 6.219 -2.029 5.921 1.00 0.30 S ATOM 0 H CYS A 4 8.171 0.552 6.226 1.00 0.12 H new ATOM 0 HA CYS A 4 6.948 0.910 3.605 1.00 0.13 H new ATOM 0 HB2 CYS A 4 5.587 -1.066 3.801 1.00 0.17 H new ATOM 0 HB3 CYS A 4 7.284 -1.506 3.820 1.00 0.17 H new ATOM 63 N GLU A 5 4.759 1.524 4.551 1.00 0.14 N ATOM 64 CA GLU A 5 3.565 2.208 5.005 1.00 0.16 C ATOM 65 C GLU A 5 2.423 1.784 4.093 1.00 0.15 C ATOM 66 O GLU A 5 2.634 1.032 3.145 1.00 0.17 O ATOM 67 CB GLU A 5 3.732 3.735 4.961 1.00 0.24 C ATOM 68 CG GLU A 5 4.756 4.286 5.939 1.00 0.33 C ATOM 69 CD GLU A 5 4.934 5.788 5.831 1.00 1.14 C ATOM 70 OE1 GLU A 5 3.957 6.524 6.074 1.00 1.39 O ATOM 71 OE2 GLU A 5 6.046 6.241 5.490 1.00 1.87 O ATOM 0 H GLU A 5 4.725 1.287 3.560 1.00 0.14 H new ATOM 0 HA GLU A 5 3.364 1.940 6.042 1.00 0.16 H new ATOM 0 HB2 GLU A 5 4.019 4.027 3.951 1.00 0.24 H new ATOM 0 HB3 GLU A 5 2.767 4.199 5.165 1.00 0.24 H new ATOM 0 HG2 GLU A 5 4.451 4.034 6.955 1.00 0.33 H new ATOM 0 HG3 GLU A 5 5.715 3.799 5.764 1.00 0.33 H new ATOM 78 N VAL A 6 1.223 2.234 4.380 1.00 0.17 N ATOM 79 CA VAL A 6 0.063 1.847 3.609 1.00 0.18 C ATOM 80 C VAL A 6 -0.898 3.009 3.464 1.00 0.21 C ATOM 81 O VAL A 6 -1.217 3.693 4.437 1.00 0.33 O ATOM 82 CB VAL A 6 -0.653 0.667 4.264 1.00 0.19 C ATOM 83 CG1 VAL A 6 -0.031 -0.648 3.815 1.00 0.17 C ATOM 84 CG2 VAL A 6 -0.582 0.811 5.776 1.00 0.20 C ATOM 0 H VAL A 6 1.024 2.874 5.149 1.00 0.17 H new ATOM 0 HA VAL A 6 0.407 1.547 2.619 1.00 0.18 H new ATOM 0 HB VAL A 6 -1.699 0.663 3.957 1.00 0.19 H new ATOM 0 HG11 VAL A 6 -0.553 -1.478 4.291 1.00 0.17 H new ATOM 0 HG12 VAL A 6 -0.115 -0.739 2.732 1.00 0.17 H new ATOM 0 HG13 VAL A 6 1.021 -0.669 4.100 1.00 0.17 H new ATOM 0 HG21 VAL A 6 -1.092 -0.030 6.246 1.00 0.20 H new ATOM 0 HG22 VAL A 6 0.461 0.825 6.092 1.00 0.20 H new ATOM 0 HG23 VAL A 6 -1.064 1.741 6.076 1.00 0.20 H new ATOM 94 N GLU A 7 -1.349 3.229 2.245 1.00 0.16 N ATOM 95 CA GLU A 7 -2.201 4.365 1.948 1.00 0.16 C ATOM 96 C GLU A 7 -3.438 3.976 1.177 1.00 0.16 C ATOM 97 O GLU A 7 -3.489 2.949 0.503 1.00 0.28 O ATOM 98 CB GLU A 7 -1.441 5.397 1.126 1.00 0.26 C ATOM 99 CG GLU A 7 -0.192 5.905 1.802 1.00 0.24 C ATOM 100 CD GLU A 7 -0.476 7.055 2.743 1.00 1.05 C ATOM 101 OE1 GLU A 7 -1.149 6.840 3.770 1.00 1.11 O ATOM 102 OE2 GLU A 7 -0.038 8.187 2.455 1.00 2.01 O ATOM 0 H GLU A 7 -1.140 2.635 1.442 1.00 0.16 H new ATOM 0 HA GLU A 7 -2.504 4.778 2.910 1.00 0.16 H new ATOM 0 HB2 GLU A 7 -1.171 4.958 0.166 1.00 0.26 H new ATOM 0 HB3 GLU A 7 -2.100 6.240 0.917 1.00 0.26 H new ATOM 0 HG2 GLU A 7 0.275 5.091 2.357 1.00 0.24 H new ATOM 0 HG3 GLU A 7 0.523 6.226 1.045 1.00 0.24 H new ATOM 109 N ALA A 8 -4.423 4.837 1.287 1.00 0.14 N ATOM 110 CA ALA A 8 -5.616 4.772 0.487 1.00 0.12 C ATOM 111 C ALA A 8 -5.924 6.184 -0.003 1.00 0.15 C ATOM 112 O ALA A 8 -6.026 7.113 0.801 1.00 0.17 O ATOM 113 CB ALA A 8 -6.756 4.223 1.313 1.00 0.13 C ATOM 0 H ALA A 8 -4.414 5.614 1.947 1.00 0.14 H new ATOM 0 HA ALA A 8 -5.478 4.109 -0.367 1.00 0.12 H new ATOM 0 HB1 ALA A 8 -7.658 4.176 0.703 1.00 0.13 H new ATOM 0 HB2 ALA A 8 -6.502 3.223 1.664 1.00 0.13 H new ATOM 0 HB3 ALA A 8 -6.931 4.874 2.169 1.00 0.13 H new ATOM 119 N ALA A 9 -6.054 6.349 -1.303 1.00 0.16 N ATOM 120 CA ALA A 9 -6.239 7.663 -1.892 1.00 0.19 C ATOM 121 C ALA A 9 -7.614 7.775 -2.528 1.00 0.19 C ATOM 122 O ALA A 9 -7.861 7.238 -3.605 1.00 0.20 O ATOM 123 CB ALA A 9 -5.151 7.922 -2.921 1.00 0.22 C ATOM 0 H ALA A 9 -6.035 5.584 -1.978 1.00 0.16 H new ATOM 0 HA ALA A 9 -6.169 8.415 -1.106 1.00 0.19 H new ATOM 0 HB1 ALA A 9 -5.294 8.909 -3.361 1.00 0.22 H new ATOM 0 HB2 ALA A 9 -4.175 7.878 -2.438 1.00 0.22 H new ATOM 0 HB3 ALA A 9 -5.203 7.165 -3.704 1.00 0.22 H new ATOM 129 N VAL A 10 -8.503 8.487 -1.868 1.00 0.22 N ATOM 130 CA VAL A 10 -9.879 8.576 -2.315 1.00 0.23 C ATOM 131 C VAL A 10 -10.062 9.679 -3.351 1.00 0.27 C ATOM 132 O VAL A 10 -9.616 10.813 -3.162 1.00 0.33 O ATOM 133 CB VAL A 10 -10.837 8.809 -1.129 1.00 0.25 C ATOM 134 CG1 VAL A 10 -12.268 8.972 -1.616 1.00 0.29 C ATOM 135 CG2 VAL A 10 -10.735 7.663 -0.130 1.00 0.27 C ATOM 0 H VAL A 10 -8.298 9.014 -1.019 1.00 0.22 H new ATOM 0 HA VAL A 10 -10.123 7.622 -2.782 1.00 0.23 H new ATOM 0 HB VAL A 10 -10.544 9.731 -0.627 1.00 0.25 H new ATOM 0 HG11 VAL A 10 -12.926 9.135 -0.763 1.00 0.29 H new ATOM 0 HG12 VAL A 10 -12.328 9.827 -2.289 1.00 0.29 H new ATOM 0 HG13 VAL A 10 -12.577 8.071 -2.145 1.00 0.29 H new ATOM 0 HG21 VAL A 10 -11.417 7.843 0.701 1.00 0.27 H new ATOM 0 HG22 VAL A 10 -11.000 6.727 -0.622 1.00 0.27 H new ATOM 0 HG23 VAL A 10 -9.714 7.598 0.246 1.00 0.27 H new ATOM 145 N SER A 11 -10.695 9.319 -4.455 1.00 0.29 N ATOM 146 CA SER A 11 -11.075 10.270 -5.482 1.00 0.36 C ATOM 147 C SER A 11 -12.582 10.180 -5.707 1.00 0.45 C ATOM 148 O SER A 11 -13.247 9.360 -5.068 1.00 0.63 O ATOM 149 CB SER A 11 -10.300 10.007 -6.780 1.00 0.45 C ATOM 150 OG SER A 11 -10.469 8.671 -7.233 1.00 1.22 O ATOM 0 H SER A 11 -10.960 8.356 -4.663 1.00 0.29 H new ATOM 0 HA SER A 11 -10.824 11.280 -5.157 1.00 0.36 H new ATOM 0 HB2 SER A 11 -10.638 10.698 -7.552 1.00 0.45 H new ATOM 0 HB3 SER A 11 -9.240 10.205 -6.617 1.00 0.45 H new ATOM 0 HG SER A 11 -11.096 8.202 -6.643 1.00 1.22 H new ATOM 156 N GLY A 12 -13.116 11.017 -6.589 1.00 0.45 N ATOM 157 CA GLY A 12 -14.549 11.036 -6.840 1.00 0.54 C ATOM 158 C GLY A 12 -15.122 9.669 -7.188 1.00 0.49 C ATOM 159 O GLY A 12 -14.945 9.175 -8.302 1.00 0.61 O ATOM 0 H GLY A 12 -12.580 11.688 -7.139 1.00 0.45 H new ATOM 0 HA2 GLY A 12 -15.060 11.421 -5.957 1.00 0.54 H new ATOM 0 HA3 GLY A 12 -14.758 11.727 -7.656 1.00 0.54 H new ATOM 163 N GLY A 13 -15.775 9.043 -6.212 1.00 0.45 N ATOM 164 CA GLY A 13 -16.468 7.787 -6.448 1.00 0.48 C ATOM 165 C GLY A 13 -15.554 6.574 -6.420 1.00 0.41 C ATOM 166 O GLY A 13 -16.022 5.440 -6.315 1.00 0.45 O ATOM 0 H GLY A 13 -15.837 9.387 -5.254 1.00 0.45 H new ATOM 0 HA2 GLY A 13 -17.245 7.663 -5.694 1.00 0.48 H new ATOM 0 HA3 GLY A 13 -16.967 7.833 -7.416 1.00 0.48 H new ATOM 170 N HIS A 14 -14.252 6.797 -6.492 1.00 0.34 N ATOM 171 CA HIS A 14 -13.301 5.699 -6.593 1.00 0.31 C ATOM 172 C HIS A 14 -12.150 5.897 -5.624 1.00 0.30 C ATOM 173 O HIS A 14 -11.614 6.995 -5.500 1.00 0.43 O ATOM 174 CB HIS A 14 -12.756 5.573 -8.021 1.00 0.34 C ATOM 175 CG HIS A 14 -13.779 5.153 -9.033 1.00 0.79 C ATOM 176 ND1 HIS A 14 -13.951 3.846 -9.437 1.00 1.56 N ATOM 177 CD2 HIS A 14 -14.681 5.880 -9.735 1.00 1.57 C ATOM 178 CE1 HIS A 14 -14.911 3.790 -10.340 1.00 1.85 C ATOM 179 NE2 HIS A 14 -15.372 5.010 -10.538 1.00 1.82 N ATOM 0 H HIS A 14 -13.829 7.725 -6.483 1.00 0.34 H new ATOM 0 HA HIS A 14 -13.829 4.780 -6.337 1.00 0.31 H new ATOM 0 HB2 HIS A 14 -12.334 6.532 -8.323 1.00 0.34 H new ATOM 0 HB3 HIS A 14 -11.940 4.851 -8.024 1.00 0.34 H new ATOM 0 HD2 HIS A 14 -14.829 6.948 -9.673 1.00 1.57 H new ATOM 0 HE1 HIS A 14 -15.261 2.896 -10.834 1.00 1.85 H new ATOM 0 HE2 HIS A 14 -16.120 5.264 -11.183 1.00 1.82 H new ATOM 188 N VAL A 15 -11.770 4.837 -4.942 1.00 0.23 N ATOM 189 CA VAL A 15 -10.669 4.903 -4.004 1.00 0.20 C ATOM 190 C VAL A 15 -9.453 4.179 -4.571 1.00 0.18 C ATOM 191 O VAL A 15 -9.504 2.992 -4.861 1.00 0.17 O ATOM 192 CB VAL A 15 -11.067 4.340 -2.607 1.00 0.18 C ATOM 193 CG1 VAL A 15 -11.682 2.943 -2.698 1.00 0.18 C ATOM 194 CG2 VAL A 15 -9.870 4.336 -1.666 1.00 0.17 C ATOM 0 H VAL A 15 -12.207 3.919 -5.020 1.00 0.23 H new ATOM 0 HA VAL A 15 -10.409 5.951 -3.858 1.00 0.20 H new ATOM 0 HB VAL A 15 -11.832 5.003 -2.203 1.00 0.18 H new ATOM 0 HG11 VAL A 15 -11.943 2.594 -1.699 1.00 0.18 H new ATOM 0 HG12 VAL A 15 -12.580 2.980 -3.315 1.00 0.18 H new ATOM 0 HG13 VAL A 15 -10.963 2.257 -3.145 1.00 0.18 H new ATOM 0 HG21 VAL A 15 -10.171 3.939 -0.696 1.00 0.17 H new ATOM 0 HG22 VAL A 15 -9.080 3.712 -2.084 1.00 0.17 H new ATOM 0 HG23 VAL A 15 -9.501 5.354 -1.542 1.00 0.17 H new ATOM 204 N THR A 16 -8.373 4.914 -4.753 1.00 0.17 N ATOM 205 CA THR A 16 -7.142 4.351 -5.270 1.00 0.16 C ATOM 206 C THR A 16 -6.240 3.981 -4.110 1.00 0.14 C ATOM 207 O THR A 16 -5.813 4.838 -3.352 1.00 0.15 O ATOM 208 CB THR A 16 -6.409 5.361 -6.176 1.00 0.20 C ATOM 209 OG1 THR A 16 -7.197 5.655 -7.337 1.00 0.24 O ATOM 210 CG2 THR A 16 -5.042 4.836 -6.594 1.00 0.19 C ATOM 0 H THR A 16 -8.324 5.912 -4.548 1.00 0.17 H new ATOM 0 HA THR A 16 -7.386 3.468 -5.861 1.00 0.16 H new ATOM 0 HB THR A 16 -6.262 6.277 -5.603 1.00 0.20 H new ATOM 0 HG1 THR A 16 -6.720 6.298 -7.902 1.00 0.24 H new ATOM 0 HG21 THR A 16 -4.550 5.570 -7.232 1.00 0.19 H new ATOM 0 HG22 THR A 16 -4.433 4.660 -5.707 1.00 0.19 H new ATOM 0 HG23 THR A 16 -5.163 3.902 -7.143 1.00 0.19 H new ATOM 218 N LEU A 17 -5.944 2.714 -3.973 1.00 0.12 N ATOM 219 CA LEU A 17 -5.210 2.248 -2.825 1.00 0.10 C ATOM 220 C LEU A 17 -3.826 1.777 -3.232 1.00 0.13 C ATOM 221 O LEU A 17 -3.663 1.147 -4.278 1.00 0.17 O ATOM 222 CB LEU A 17 -5.990 1.144 -2.141 1.00 0.11 C ATOM 223 CG LEU A 17 -5.920 1.179 -0.625 1.00 0.10 C ATOM 224 CD1 LEU A 17 -7.294 0.952 -0.037 1.00 0.10 C ATOM 225 CD2 LEU A 17 -4.923 0.162 -0.114 1.00 0.11 C ATOM 0 H LEU A 17 -6.200 1.987 -4.641 1.00 0.12 H new ATOM 0 HA LEU A 17 -5.081 3.069 -2.120 1.00 0.10 H new ATOM 0 HB2 LEU A 17 -7.034 1.209 -2.447 1.00 0.11 H new ATOM 0 HB3 LEU A 17 -5.616 0.181 -2.489 1.00 0.11 H new ATOM 0 HG LEU A 17 -5.575 2.163 -0.308 1.00 0.10 H new ATOM 0 HD11 LEU A 17 -7.233 0.979 1.051 1.00 0.10 H new ATOM 0 HD12 LEU A 17 -7.971 1.733 -0.382 1.00 0.10 H new ATOM 0 HD13 LEU A 17 -7.670 -0.020 -0.355 1.00 0.10 H new ATOM 0 HD21 LEU A 17 -4.887 0.203 0.975 1.00 0.11 H new ATOM 0 HD22 LEU A 17 -5.227 -0.836 -0.430 1.00 0.11 H new ATOM 0 HD23 LEU A 17 -3.936 0.386 -0.518 1.00 0.11 H new ATOM 237 N GLN A 18 -2.835 2.116 -2.420 1.00 0.15 N ATOM 238 CA GLN A 18 -1.453 1.770 -2.694 1.00 0.19 C ATOM 239 C GLN A 18 -0.618 1.899 -1.425 1.00 0.24 C ATOM 240 O GLN A 18 -0.823 2.813 -0.628 1.00 0.51 O ATOM 241 CB GLN A 18 -0.897 2.666 -3.804 1.00 0.32 C ATOM 242 CG GLN A 18 -1.261 4.137 -3.660 1.00 0.78 C ATOM 243 CD GLN A 18 -0.817 4.974 -4.846 1.00 1.03 C ATOM 244 OE1 GLN A 18 -0.508 6.157 -4.706 1.00 1.58 O ATOM 245 NE2 GLN A 18 -0.783 4.370 -6.023 1.00 1.77 N ATOM 0 H GLN A 18 -2.969 2.638 -1.554 1.00 0.15 H new ATOM 0 HA GLN A 18 -1.405 0.735 -3.032 1.00 0.19 H new ATOM 0 HB2 GLN A 18 0.189 2.572 -3.822 1.00 0.32 H new ATOM 0 HB3 GLN A 18 -1.264 2.305 -4.765 1.00 0.32 H new ATOM 0 HG2 GLN A 18 -2.341 4.229 -3.541 1.00 0.78 H new ATOM 0 HG3 GLN A 18 -0.805 4.532 -2.752 1.00 0.78 H new ATOM 0 HE21 GLN A 18 -1.046 3.388 -6.100 1.00 1.77 H new ATOM 0 HE22 GLN A 18 -0.493 4.887 -6.853 1.00 1.77 H new ATOM 254 N GLY A 19 0.315 0.981 -1.235 1.00 0.17 N ATOM 255 CA GLY A 19 1.114 0.977 -0.026 1.00 0.18 C ATOM 256 C GLY A 19 2.412 1.735 -0.200 1.00 0.18 C ATOM 257 O GLY A 19 3.110 1.544 -1.184 1.00 0.19 O ATOM 0 H GLY A 19 0.535 0.237 -1.897 1.00 0.17 H new ATOM 0 HA2 GLY A 19 0.541 1.421 0.788 1.00 0.18 H new ATOM 0 HA3 GLY A 19 1.331 -0.052 0.261 1.00 0.18 H new ATOM 261 N VAL A 20 2.742 2.589 0.754 1.00 0.17 N ATOM 262 CA VAL A 20 3.956 3.386 0.671 1.00 0.18 C ATOM 263 C VAL A 20 5.153 2.608 1.192 1.00 0.21 C ATOM 264 O VAL A 20 5.035 1.750 2.051 1.00 0.45 O ATOM 265 CB VAL A 20 3.797 4.731 1.422 1.00 0.19 C ATOM 266 CG1 VAL A 20 5.133 5.325 1.852 1.00 0.24 C ATOM 267 CG2 VAL A 20 3.054 5.725 0.545 1.00 0.20 C ATOM 0 H VAL A 20 2.187 2.749 1.595 1.00 0.17 H new ATOM 0 HA VAL A 20 4.134 3.613 -0.380 1.00 0.18 H new ATOM 0 HB VAL A 20 3.227 4.527 2.328 1.00 0.19 H new ATOM 0 HG11 VAL A 20 4.962 6.267 2.374 1.00 0.24 H new ATOM 0 HG12 VAL A 20 5.643 4.629 2.518 1.00 0.24 H new ATOM 0 HG13 VAL A 20 5.751 5.505 0.972 1.00 0.24 H new ATOM 0 HG21 VAL A 20 2.945 6.670 1.078 1.00 0.20 H new ATOM 0 HG22 VAL A 20 3.616 5.890 -0.374 1.00 0.20 H new ATOM 0 HG23 VAL A 20 2.068 5.329 0.302 1.00 0.20 H new ATOM 277 N ILE A 21 6.285 2.872 0.601 1.00 0.13 N ATOM 278 CA ILE A 21 7.534 2.288 1.008 1.00 0.11 C ATOM 279 C ILE A 21 8.564 3.384 1.164 1.00 0.13 C ATOM 280 O ILE A 21 9.003 3.972 0.183 1.00 0.14 O ATOM 281 CB ILE A 21 8.011 1.280 -0.051 1.00 0.10 C ATOM 282 CG1 ILE A 21 7.441 -0.081 0.249 1.00 0.10 C ATOM 283 CG2 ILE A 21 9.529 1.199 -0.147 1.00 0.10 C ATOM 284 CD1 ILE A 21 7.551 -1.000 -0.926 1.00 0.10 C ATOM 0 H ILE A 21 6.368 3.510 -0.191 1.00 0.13 H new ATOM 0 HA ILE A 21 7.400 1.768 1.957 1.00 0.11 H new ATOM 0 HB ILE A 21 7.650 1.633 -1.017 1.00 0.10 H new ATOM 0 HG12 ILE A 21 7.965 -0.515 1.100 1.00 0.10 H new ATOM 0 HG13 ILE A 21 6.394 0.018 0.536 1.00 0.10 H new ATOM 0 HG21 ILE A 21 9.807 0.472 -0.910 1.00 0.10 H new ATOM 0 HG22 ILE A 21 9.929 2.177 -0.414 1.00 0.10 H new ATOM 0 HG23 ILE A 21 9.938 0.890 0.815 1.00 0.10 H new ATOM 0 HD11 ILE A 21 7.129 -1.971 -0.669 1.00 0.10 H new ATOM 0 HD12 ILE A 21 7.005 -0.579 -1.770 1.00 0.10 H new ATOM 0 HD13 ILE A 21 8.600 -1.121 -1.197 1.00 0.10 H new ATOM 296 N THR A 22 8.919 3.719 2.374 1.00 0.13 N ATOM 297 CA THR A 22 10.054 4.580 2.543 1.00 0.14 C ATOM 298 C THR A 22 11.279 3.734 2.385 1.00 0.14 C ATOM 299 O THR A 22 11.347 2.651 2.922 1.00 0.18 O ATOM 300 CB THR A 22 10.094 5.262 3.907 1.00 0.16 C ATOM 301 OG1 THR A 22 8.768 5.600 4.326 1.00 0.20 O ATOM 302 CG2 THR A 22 10.952 6.509 3.828 1.00 0.17 C ATOM 0 H THR A 22 8.455 3.420 3.232 1.00 0.13 H new ATOM 0 HA THR A 22 9.995 5.375 1.800 1.00 0.14 H new ATOM 0 HB THR A 22 10.526 4.578 4.637 1.00 0.16 H new ATOM 0 HG1 THR A 22 8.803 6.036 5.203 1.00 0.20 H new ATOM 0 HG21 THR A 22 10.979 6.994 4.804 1.00 0.17 H new ATOM 0 HG22 THR A 22 11.964 6.236 3.530 1.00 0.17 H new ATOM 0 HG23 THR A 22 10.530 7.195 3.093 1.00 0.17 H new ATOM 310 N ALA A 23 12.231 4.178 1.636 1.00 0.12 N ATOM 311 CA ALA A 23 13.411 3.385 1.471 1.00 0.12 C ATOM 312 C ALA A 23 14.601 4.186 1.908 1.00 0.14 C ATOM 313 O ALA A 23 14.845 5.242 1.381 1.00 0.16 O ATOM 314 CB ALA A 23 13.526 2.953 0.030 1.00 0.11 C ATOM 0 H ALA A 23 12.222 5.067 1.136 1.00 0.12 H new ATOM 0 HA ALA A 23 13.360 2.486 2.086 1.00 0.12 H new ATOM 0 HB1 ALA A 23 14.424 2.349 -0.098 1.00 0.11 H new ATOM 0 HB2 ALA A 23 12.651 2.364 -0.244 1.00 0.11 H new ATOM 0 HB3 ALA A 23 13.587 3.833 -0.610 1.00 0.11 H new ATOM 320 N VAL A 24 15.332 3.690 2.882 1.00 0.16 N ATOM 321 CA VAL A 24 16.429 4.455 3.456 1.00 0.18 C ATOM 322 C VAL A 24 17.618 4.537 2.498 1.00 0.20 C ATOM 323 O VAL A 24 18.571 5.281 2.729 1.00 0.25 O ATOM 324 CB VAL A 24 16.877 3.862 4.806 1.00 0.22 C ATOM 325 CG1 VAL A 24 18.018 4.671 5.401 1.00 0.25 C ATOM 326 CG2 VAL A 24 15.699 3.812 5.761 1.00 0.23 C ATOM 0 H VAL A 24 15.192 2.767 3.294 1.00 0.16 H new ATOM 0 HA VAL A 24 16.058 5.466 3.627 1.00 0.18 H new ATOM 0 HB VAL A 24 17.240 2.848 4.640 1.00 0.22 H new ATOM 0 HG11 VAL A 24 18.317 4.233 6.353 1.00 0.25 H new ATOM 0 HG12 VAL A 24 18.866 4.663 4.716 1.00 0.25 H new ATOM 0 HG13 VAL A 24 17.691 5.698 5.561 1.00 0.25 H new ATOM 0 HG21 VAL A 24 16.021 3.392 6.714 1.00 0.23 H new ATOM 0 HG22 VAL A 24 15.316 4.820 5.920 1.00 0.23 H new ATOM 0 HG23 VAL A 24 14.913 3.188 5.336 1.00 0.23 H new ATOM 336 N ARG A 25 17.556 3.796 1.404 1.00 0.21 N ATOM 337 CA ARG A 25 18.640 3.800 0.446 1.00 0.24 C ATOM 338 C ARG A 25 18.112 3.953 -0.973 1.00 0.23 C ATOM 339 O ARG A 25 17.128 3.317 -1.348 1.00 0.26 O ATOM 340 CB ARG A 25 19.457 2.531 0.590 1.00 0.33 C ATOM 341 CG ARG A 25 20.141 2.439 1.933 1.00 0.40 C ATOM 342 CD ARG A 25 21.397 3.275 1.968 1.00 0.73 C ATOM 343 NE ARG A 25 22.064 3.198 3.265 1.00 0.80 N ATOM 344 CZ ARG A 25 23.351 3.466 3.465 1.00 1.41 C ATOM 345 NH1 ARG A 25 24.130 3.826 2.452 1.00 2.18 N ATOM 346 NH2 ARG A 25 23.858 3.378 4.685 1.00 1.42 N ATOM 0 H ARG A 25 16.772 3.190 1.162 1.00 0.21 H new ATOM 0 HA ARG A 25 19.285 4.655 0.649 1.00 0.24 H new ATOM 0 HB2 ARG A 25 18.807 1.666 0.456 1.00 0.33 H new ATOM 0 HB3 ARG A 25 20.207 2.492 -0.200 1.00 0.33 H new ATOM 0 HG2 ARG A 25 19.458 2.772 2.715 1.00 0.40 H new ATOM 0 HG3 ARG A 25 20.388 1.399 2.147 1.00 0.40 H new ATOM 0 HD2 ARG A 25 22.080 2.938 1.188 1.00 0.73 H new ATOM 0 HD3 ARG A 25 21.149 4.313 1.748 1.00 0.73 H new ATOM 0 HE ARG A 25 21.505 2.920 4.072 1.00 0.80 H new ATOM 0 HH11 ARG A 25 23.742 3.899 1.511 1.00 2.18 H new ATOM 0 HH12 ARG A 25 25.116 4.030 2.614 1.00 2.18 H new ATOM 0 HH21 ARG A 25 23.262 3.106 5.467 1.00 1.42 H new ATOM 0 HH22 ARG A 25 24.845 3.583 4.843 1.00 1.42 H new ATOM 360 N ASP A 26 18.758 4.820 -1.744 1.00 0.23 N ATOM 361 CA ASP A 26 18.330 5.116 -3.102 1.00 0.25 C ATOM 362 C ASP A 26 18.825 4.046 -4.062 1.00 0.24 C ATOM 363 O ASP A 26 19.920 3.507 -3.906 1.00 0.32 O ATOM 364 CB ASP A 26 18.833 6.496 -3.545 1.00 0.31 C ATOM 365 CG ASP A 26 20.316 6.521 -3.856 1.00 0.78 C ATOM 366 OD1 ASP A 26 21.131 6.371 -2.921 1.00 0.73 O ATOM 367 OD2 ASP A 26 20.677 6.689 -5.041 1.00 1.54 O ATOM 0 H ASP A 26 19.587 5.333 -1.446 1.00 0.23 H new ATOM 0 HA ASP A 26 17.240 5.125 -3.118 1.00 0.25 H new ATOM 0 HB2 ASP A 26 18.278 6.811 -4.429 1.00 0.31 H new ATOM 0 HB3 ASP A 26 18.621 7.222 -2.760 1.00 0.31 H new ATOM 372 N GLY A 27 18.003 3.740 -5.041 1.00 0.24 N ATOM 373 CA GLY A 27 18.322 2.721 -6.007 1.00 0.26 C ATOM 374 C GLY A 27 17.069 2.005 -6.443 1.00 0.21 C ATOM 375 O GLY A 27 16.082 2.643 -6.803 1.00 0.23 O ATOM 0 H GLY A 27 17.099 4.190 -5.187 1.00 0.24 H new ATOM 0 HA2 GLY A 27 18.812 3.170 -6.871 1.00 0.26 H new ATOM 0 HA3 GLY A 27 19.025 2.008 -5.576 1.00 0.26 H new ATOM 379 N ALA A 28 17.089 0.692 -6.384 1.00 0.19 N ATOM 380 CA ALA A 28 15.916 -0.096 -6.709 1.00 0.18 C ATOM 381 C ALA A 28 15.810 -1.282 -5.765 1.00 0.24 C ATOM 382 O ALA A 28 16.824 -1.853 -5.362 1.00 0.45 O ATOM 383 CB ALA A 28 15.962 -0.559 -8.156 1.00 0.21 C ATOM 0 H ALA A 28 17.906 0.144 -6.114 1.00 0.19 H new ATOM 0 HA ALA A 28 15.030 0.527 -6.586 1.00 0.18 H new ATOM 0 HB1 ALA A 28 15.072 -1.148 -8.378 1.00 0.21 H new ATOM 0 HB2 ALA A 28 15.996 0.309 -8.815 1.00 0.21 H new ATOM 0 HB3 ALA A 28 16.851 -1.170 -8.314 1.00 0.21 H new ATOM 389 N GLY A 29 14.591 -1.648 -5.413 1.00 0.15 N ATOM 390 CA GLY A 29 14.379 -2.744 -4.504 1.00 0.19 C ATOM 391 C GLY A 29 13.172 -3.549 -4.904 1.00 0.17 C ATOM 392 O GLY A 29 12.507 -3.224 -5.888 1.00 0.21 O ATOM 0 H GLY A 29 13.738 -1.199 -5.746 1.00 0.15 H new ATOM 0 HA2 GLY A 29 15.260 -3.385 -4.490 1.00 0.19 H new ATOM 0 HA3 GLY A 29 14.247 -2.362 -3.492 1.00 0.19 H new ATOM 396 N SER A 30 12.869 -4.576 -4.143 1.00 0.15 N ATOM 397 CA SER A 30 11.758 -5.448 -4.476 1.00 0.15 C ATOM 398 C SER A 30 10.808 -5.596 -3.296 1.00 0.13 C ATOM 399 O SER A 30 11.234 -5.724 -2.147 1.00 0.14 O ATOM 400 CB SER A 30 12.274 -6.807 -4.942 1.00 0.20 C ATOM 401 OG SER A 30 13.244 -7.329 -4.045 1.00 0.23 O ATOM 0 H SER A 30 13.372 -4.830 -3.293 1.00 0.15 H new ATOM 0 HA SER A 30 11.197 -4.996 -5.294 1.00 0.15 H new ATOM 0 HB2 SER A 30 11.441 -7.505 -5.026 1.00 0.20 H new ATOM 0 HB3 SER A 30 12.710 -6.711 -5.936 1.00 0.20 H new ATOM 0 HG SER A 30 12.799 -7.649 -3.233 1.00 0.23 H new ATOM 407 N TYR A 31 9.519 -5.553 -3.596 1.00 0.13 N ATOM 408 CA TYR A 31 8.480 -5.568 -2.581 1.00 0.11 C ATOM 409 C TYR A 31 7.150 -6.062 -3.163 1.00 0.13 C ATOM 410 O TYR A 31 6.944 -6.039 -4.377 1.00 0.18 O ATOM 411 CB TYR A 31 8.338 -4.174 -1.966 1.00 0.10 C ATOM 412 CG TYR A 31 8.965 -3.056 -2.776 1.00 0.09 C ATOM 413 CD1 TYR A 31 8.361 -2.613 -3.939 1.00 0.11 C ATOM 414 CD2 TYR A 31 10.148 -2.426 -2.361 1.00 0.08 C ATOM 415 CE1 TYR A 31 8.902 -1.584 -4.674 1.00 0.12 C ATOM 416 CE2 TYR A 31 10.692 -1.386 -3.098 1.00 0.09 C ATOM 417 CZ TYR A 31 10.064 -0.973 -4.253 1.00 0.11 C ATOM 418 OH TYR A 31 10.594 0.061 -4.983 1.00 0.13 O ATOM 0 H TYR A 31 9.165 -5.507 -4.551 1.00 0.13 H new ATOM 0 HA TYR A 31 8.765 -6.266 -1.793 1.00 0.11 H new ATOM 0 HB2 TYR A 31 7.278 -3.957 -1.833 1.00 0.10 H new ATOM 0 HB3 TYR A 31 8.789 -4.182 -0.974 1.00 0.10 H new ATOM 0 HD1 TYR A 31 7.449 -3.083 -4.276 1.00 0.11 H new ATOM 0 HD2 TYR A 31 10.640 -2.755 -1.458 1.00 0.08 H new ATOM 0 HE1 TYR A 31 8.417 -1.255 -5.581 1.00 0.12 H new ATOM 0 HE2 TYR A 31 11.601 -0.903 -2.770 1.00 0.09 H new ATOM 0 HH TYR A 31 11.570 -0.024 -5.009 1.00 0.13 H new ATOM 428 N LYS A 32 6.262 -6.514 -2.286 1.00 0.13 N ATOM 429 CA LYS A 32 4.986 -7.106 -2.687 1.00 0.14 C ATOM 430 C LYS A 32 3.813 -6.442 -1.974 1.00 0.14 C ATOM 431 O LYS A 32 3.642 -6.603 -0.765 1.00 0.13 O ATOM 432 CB LYS A 32 4.974 -8.601 -2.358 1.00 0.16 C ATOM 433 CG LYS A 32 5.753 -8.956 -1.111 1.00 0.17 C ATOM 434 CD LYS A 32 7.170 -9.409 -1.438 1.00 0.25 C ATOM 435 CE LYS A 32 7.175 -10.720 -2.212 1.00 0.40 C ATOM 436 NZ LYS A 32 8.555 -11.210 -2.467 1.00 1.26 N ATOM 0 H LYS A 32 6.403 -6.482 -1.276 1.00 0.13 H new ATOM 0 HA LYS A 32 4.879 -6.953 -3.761 1.00 0.14 H new ATOM 0 HB2 LYS A 32 3.942 -8.929 -2.236 1.00 0.16 H new ATOM 0 HB3 LYS A 32 5.386 -9.153 -3.203 1.00 0.16 H new ATOM 0 HG2 LYS A 32 5.792 -8.091 -0.448 1.00 0.17 H new ATOM 0 HG3 LYS A 32 5.234 -9.748 -0.571 1.00 0.17 H new ATOM 0 HD2 LYS A 32 7.673 -8.639 -2.023 1.00 0.25 H new ATOM 0 HD3 LYS A 32 7.736 -9.529 -0.514 1.00 0.25 H new ATOM 0 HE2 LYS A 32 6.620 -11.473 -1.653 1.00 0.40 H new ATOM 0 HE3 LYS A 32 6.658 -10.583 -3.162 1.00 0.40 H new ATOM 0 HZ1 LYS A 32 8.597 -12.235 -2.294 1.00 1.26 H new ATOM 0 HZ2 LYS A 32 8.816 -11.014 -3.455 1.00 1.26 H new ATOM 0 HZ3 LYS A 32 9.219 -10.724 -1.831 1.00 1.26 H new ATOM 450 N LEU A 33 2.991 -5.724 -2.719 1.00 0.17 N ATOM 451 CA LEU A 33 1.835 -5.070 -2.134 1.00 0.17 C ATOM 452 C LEU A 33 0.580 -5.885 -2.400 1.00 0.19 C ATOM 453 O LEU A 33 0.215 -6.153 -3.547 1.00 0.27 O ATOM 454 CB LEU A 33 1.695 -3.630 -2.659 1.00 0.22 C ATOM 455 CG LEU A 33 0.521 -2.802 -2.095 1.00 0.25 C ATOM 456 CD1 LEU A 33 -0.749 -3.092 -2.865 1.00 0.55 C ATOM 457 CD2 LEU A 33 0.300 -3.078 -0.607 1.00 0.49 C ATOM 0 H LEU A 33 3.101 -5.580 -3.723 1.00 0.17 H new ATOM 0 HA LEU A 33 1.976 -5.010 -1.055 1.00 0.17 H new ATOM 0 HB2 LEU A 33 2.622 -3.097 -2.445 1.00 0.22 H new ATOM 0 HB3 LEU A 33 1.594 -3.671 -3.744 1.00 0.22 H new ATOM 0 HG LEU A 33 0.779 -1.749 -2.209 1.00 0.25 H new ATOM 0 HD11 LEU A 33 -1.567 -2.500 -2.454 1.00 0.55 H new ATOM 0 HD12 LEU A 33 -0.605 -2.834 -3.914 1.00 0.55 H new ATOM 0 HD13 LEU A 33 -0.991 -4.152 -2.782 1.00 0.55 H new ATOM 0 HD21 LEU A 33 -0.534 -2.477 -0.246 1.00 0.49 H new ATOM 0 HD22 LEU A 33 0.076 -4.135 -0.462 1.00 0.49 H new ATOM 0 HD23 LEU A 33 1.201 -2.819 -0.051 1.00 0.49 H new ATOM 469 N ALA A 34 -0.061 -6.291 -1.324 1.00 0.16 N ATOM 470 CA ALA A 34 -1.326 -6.988 -1.405 1.00 0.19 C ATOM 471 C ALA A 34 -2.423 -6.151 -0.762 1.00 0.18 C ATOM 472 O ALA A 34 -2.249 -5.619 0.331 1.00 0.25 O ATOM 473 CB ALA A 34 -1.222 -8.355 -0.743 1.00 0.25 C ATOM 0 H ALA A 34 0.279 -6.148 -0.373 1.00 0.16 H new ATOM 0 HA ALA A 34 -1.581 -7.142 -2.454 1.00 0.19 H new ATOM 0 HB1 ALA A 34 -2.182 -8.867 -0.812 1.00 0.25 H new ATOM 0 HB2 ALA A 34 -0.458 -8.946 -1.248 1.00 0.25 H new ATOM 0 HB3 ALA A 34 -0.951 -8.232 0.306 1.00 0.25 H new ATOM 479 N VAL A 35 -3.541 -6.016 -1.449 1.00 0.16 N ATOM 480 CA VAL A 35 -4.659 -5.236 -0.944 1.00 0.14 C ATOM 481 C VAL A 35 -5.790 -6.171 -0.526 1.00 0.16 C ATOM 482 O VAL A 35 -6.022 -7.207 -1.154 1.00 0.23 O ATOM 483 CB VAL A 35 -5.168 -4.220 -1.994 1.00 0.16 C ATOM 484 CG1 VAL A 35 -6.231 -3.314 -1.407 1.00 0.13 C ATOM 485 CG2 VAL A 35 -4.019 -3.394 -2.539 1.00 0.21 C ATOM 0 H VAL A 35 -3.701 -6.438 -2.364 1.00 0.16 H new ATOM 0 HA VAL A 35 -4.313 -4.670 -0.079 1.00 0.14 H new ATOM 0 HB VAL A 35 -5.614 -4.783 -2.813 1.00 0.16 H new ATOM 0 HG11 VAL A 35 -6.570 -2.611 -2.167 1.00 0.13 H new ATOM 0 HG12 VAL A 35 -7.074 -3.915 -1.067 1.00 0.13 H new ATOM 0 HG13 VAL A 35 -5.815 -2.763 -0.563 1.00 0.13 H new ATOM 0 HG21 VAL A 35 -4.398 -2.686 -3.276 1.00 0.21 H new ATOM 0 HG22 VAL A 35 -3.543 -2.850 -1.723 1.00 0.21 H new ATOM 0 HG23 VAL A 35 -3.289 -4.052 -3.010 1.00 0.21 H new ATOM 495 N ASP A 36 -6.473 -5.815 0.545 1.00 0.19 N ATOM 496 CA ASP A 36 -7.535 -6.640 1.102 1.00 0.24 C ATOM 497 C ASP A 36 -8.828 -5.844 1.180 1.00 0.25 C ATOM 498 O ASP A 36 -8.921 -4.875 1.925 1.00 0.31 O ATOM 499 CB ASP A 36 -7.128 -7.120 2.500 1.00 0.33 C ATOM 500 CG ASP A 36 -8.234 -7.864 3.220 1.00 1.05 C ATOM 501 OD1 ASP A 36 -8.456 -9.049 2.907 1.00 1.52 O ATOM 502 OD2 ASP A 36 -8.873 -7.276 4.118 1.00 1.67 O ATOM 0 H ASP A 36 -6.310 -4.947 1.055 1.00 0.19 H new ATOM 0 HA ASP A 36 -7.696 -7.504 0.457 1.00 0.24 H new ATOM 0 HB2 ASP A 36 -6.257 -7.770 2.415 1.00 0.33 H new ATOM 0 HB3 ASP A 36 -6.827 -6.261 3.099 1.00 0.33 H new ATOM 507 N LYS A 37 -9.826 -6.236 0.410 1.00 0.28 N ATOM 508 CA LYS A 37 -11.101 -5.537 0.454 1.00 0.33 C ATOM 509 C LYS A 37 -12.148 -6.390 1.126 1.00 0.46 C ATOM 510 O LYS A 37 -12.131 -7.618 1.018 1.00 0.63 O ATOM 511 CB LYS A 37 -11.600 -5.153 -0.922 1.00 0.42 C ATOM 512 CG LYS A 37 -10.542 -4.564 -1.818 1.00 0.95 C ATOM 513 CD LYS A 37 -11.071 -4.263 -3.216 1.00 0.77 C ATOM 514 CE LYS A 37 -11.804 -5.447 -3.829 1.00 1.13 C ATOM 515 NZ LYS A 37 -12.296 -5.152 -5.201 1.00 1.34 N ATOM 0 H LYS A 37 -9.784 -7.019 -0.242 1.00 0.28 H new ATOM 0 HA LYS A 37 -10.931 -4.623 1.024 1.00 0.33 H new ATOM 0 HB2 LYS A 37 -12.019 -6.036 -1.404 1.00 0.42 H new ATOM 0 HB3 LYS A 37 -12.412 -4.433 -0.815 1.00 0.42 H new ATOM 0 HG2 LYS A 37 -10.160 -3.646 -1.371 1.00 0.95 H new ATOM 0 HG3 LYS A 37 -9.703 -5.256 -1.890 1.00 0.95 H new ATOM 0 HD2 LYS A 37 -11.745 -3.407 -3.170 1.00 0.77 H new ATOM 0 HD3 LYS A 37 -10.240 -3.980 -3.862 1.00 0.77 H new ATOM 0 HE2 LYS A 37 -11.137 -6.308 -3.861 1.00 1.13 H new ATOM 0 HE3 LYS A 37 -12.646 -5.720 -3.193 1.00 1.13 H new ATOM 0 HZ1 LYS A 37 -12.789 -5.986 -5.580 1.00 1.34 H new ATOM 0 HZ2 LYS A 37 -12.953 -4.347 -5.168 1.00 1.34 H new ATOM 0 HZ3 LYS A 37 -11.491 -4.917 -5.816 1.00 1.34 H new ATOM 529 N ALA A 38 -13.051 -5.728 1.811 1.00 0.41 N ATOM 530 CA ALA A 38 -14.126 -6.399 2.513 1.00 0.52 C ATOM 531 C ALA A 38 -15.359 -5.504 2.611 1.00 0.47 C ATOM 532 O ALA A 38 -15.293 -4.383 3.107 1.00 0.43 O ATOM 533 CB ALA A 38 -13.649 -6.835 3.885 1.00 0.60 C ATOM 0 H ALA A 38 -13.064 -4.712 1.899 1.00 0.41 H new ATOM 0 HA ALA A 38 -14.416 -7.286 1.949 1.00 0.52 H new ATOM 0 HB1 ALA A 38 -14.461 -7.339 4.409 1.00 0.60 H new ATOM 0 HB2 ALA A 38 -12.807 -7.519 3.777 1.00 0.60 H new ATOM 0 HB3 ALA A 38 -13.336 -5.961 4.456 1.00 0.60 H new ATOM 539 N GLY A 39 -16.477 -6.001 2.117 1.00 0.57 N ATOM 540 CA GLY A 39 -17.715 -5.254 2.175 1.00 0.60 C ATOM 541 C GLY A 39 -18.901 -6.182 2.311 1.00 0.81 C ATOM 542 O GLY A 39 -18.732 -7.361 2.632 1.00 0.96 O ATOM 0 H GLY A 39 -16.552 -6.916 1.673 1.00 0.57 H new ATOM 0 HA2 GLY A 39 -17.689 -4.565 3.019 1.00 0.60 H new ATOM 0 HA3 GLY A 39 -17.822 -4.650 1.274 1.00 0.60 H new ATOM 546 N ALA A 40 -20.092 -5.672 2.039 1.00 0.90 N ATOM 547 CA ALA A 40 -21.303 -6.482 2.096 1.00 1.14 C ATOM 548 C ALA A 40 -21.290 -7.553 1.010 1.00 1.33 C ATOM 549 O ALA A 40 -21.926 -8.600 1.143 1.00 1.57 O ATOM 550 CB ALA A 40 -22.534 -5.605 1.963 1.00 1.24 C ATOM 0 H ALA A 40 -20.248 -4.699 1.776 1.00 0.90 H new ATOM 0 HA ALA A 40 -21.335 -6.980 3.065 1.00 1.14 H new ATOM 0 HB1 ALA A 40 -23.429 -6.225 2.008 1.00 1.24 H new ATOM 0 HB2 ALA A 40 -22.554 -4.880 2.777 1.00 1.24 H new ATOM 0 HB3 ALA A 40 -22.504 -5.079 1.009 1.00 1.24 H new ATOM 556 N ALA A 41 -20.550 -7.287 -0.060 1.00 1.28 N ATOM 557 CA ALA A 41 -20.420 -8.228 -1.166 1.00 1.49 C ATOM 558 C ALA A 41 -19.413 -9.329 -0.843 1.00 1.45 C ATOM 559 O ALA A 41 -19.260 -10.286 -1.606 1.00 1.72 O ATOM 560 CB ALA A 41 -20.009 -7.497 -2.430 1.00 1.58 C ATOM 0 H ALA A 41 -20.027 -6.420 -0.185 1.00 1.28 H new ATOM 0 HA ALA A 41 -21.391 -8.697 -1.324 1.00 1.49 H new ATOM 0 HB1 ALA A 41 -19.915 -8.210 -3.249 1.00 1.58 H new ATOM 0 HB2 ALA A 41 -20.765 -6.753 -2.682 1.00 1.58 H new ATOM 0 HB3 ALA A 41 -19.051 -7.002 -2.269 1.00 1.58 H new ATOM 566 N GLY A 42 -18.728 -9.188 0.284 1.00 1.19 N ATOM 567 CA GLY A 42 -17.754 -10.179 0.687 1.00 1.21 C ATOM 568 C GLY A 42 -16.350 -9.621 0.719 1.00 1.01 C ATOM 569 O GLY A 42 -16.162 -8.403 0.724 1.00 0.86 O ATOM 0 H GLY A 42 -18.831 -8.403 0.927 1.00 1.19 H new ATOM 0 HA2 GLY A 42 -18.014 -10.560 1.674 1.00 1.21 H new ATOM 0 HA3 GLY A 42 -17.792 -11.024 -0.001 1.00 1.21 H new ATOM 573 N THR A 43 -15.369 -10.507 0.747 1.00 1.03 N ATOM 574 CA THR A 43 -13.978 -10.110 0.761 1.00 0.88 C ATOM 575 C THR A 43 -13.340 -10.355 -0.608 1.00 0.82 C ATOM 576 O THR A 43 -13.877 -11.107 -1.423 1.00 0.92 O ATOM 577 CB THR A 43 -13.203 -10.884 1.843 1.00 0.97 C ATOM 578 OG1 THR A 43 -13.394 -12.295 1.674 1.00 1.14 O ATOM 579 CG2 THR A 43 -13.658 -10.476 3.235 1.00 1.00 C ATOM 0 H THR A 43 -15.517 -11.516 0.761 1.00 1.03 H new ATOM 0 HA THR A 43 -13.931 -9.045 0.990 1.00 0.88 H new ATOM 0 HB THR A 43 -12.145 -10.643 1.736 1.00 0.97 H new ATOM 0 HG1 THR A 43 -12.896 -12.778 2.366 1.00 1.14 H new ATOM 0 HG21 THR A 43 -13.095 -11.037 3.981 1.00 1.00 H new ATOM 0 HG22 THR A 43 -13.484 -9.409 3.376 1.00 1.00 H new ATOM 0 HG23 THR A 43 -14.721 -10.689 3.347 1.00 1.00 H new ATOM 587 N SER A 44 -12.225 -9.696 -0.876 1.00 0.73 N ATOM 588 CA SER A 44 -11.511 -9.881 -2.133 1.00 0.69 C ATOM 589 C SER A 44 -10.000 -9.793 -1.918 1.00 0.59 C ATOM 590 O SER A 44 -9.522 -8.936 -1.167 1.00 0.60 O ATOM 591 CB SER A 44 -11.960 -8.830 -3.147 1.00 0.72 C ATOM 592 OG SER A 44 -13.356 -8.909 -3.386 1.00 1.15 O ATOM 0 H SER A 44 -11.792 -9.026 -0.240 1.00 0.73 H new ATOM 0 HA SER A 44 -11.744 -10.873 -2.519 1.00 0.69 H new ATOM 0 HB2 SER A 44 -11.707 -7.835 -2.779 1.00 0.72 H new ATOM 0 HB3 SER A 44 -11.420 -8.971 -4.083 1.00 0.72 H new ATOM 0 HG SER A 44 -13.616 -8.224 -4.037 1.00 1.15 H new ATOM 598 N ARG A 45 -9.258 -10.683 -2.569 1.00 0.63 N ATOM 599 CA ARG A 45 -7.807 -10.734 -2.421 1.00 0.60 C ATOM 600 C ARG A 45 -7.100 -10.091 -3.608 1.00 0.51 C ATOM 601 O ARG A 45 -7.237 -10.542 -4.745 1.00 0.65 O ATOM 602 CB ARG A 45 -7.333 -12.183 -2.275 1.00 0.78 C ATOM 603 CG ARG A 45 -7.782 -12.847 -0.990 1.00 1.48 C ATOM 604 CD ARG A 45 -7.037 -12.275 0.200 1.00 1.56 C ATOM 605 NE ARG A 45 -7.547 -12.787 1.469 1.00 1.96 N ATOM 606 CZ ARG A 45 -7.174 -12.323 2.659 1.00 2.32 C ATOM 607 NH1 ARG A 45 -6.299 -11.330 2.742 1.00 2.28 N ATOM 608 NH2 ARG A 45 -7.682 -12.846 3.768 1.00 3.08 N ATOM 0 H ARG A 45 -9.639 -11.382 -3.207 1.00 0.63 H new ATOM 0 HA ARG A 45 -7.554 -10.173 -1.521 1.00 0.60 H new ATOM 0 HB2 ARG A 45 -7.702 -12.763 -3.121 1.00 0.78 H new ATOM 0 HB3 ARG A 45 -6.244 -12.206 -2.324 1.00 0.78 H new ATOM 0 HG2 ARG A 45 -8.854 -12.704 -0.857 1.00 1.48 H new ATOM 0 HG3 ARG A 45 -7.609 -13.921 -1.051 1.00 1.48 H new ATOM 0 HD2 ARG A 45 -5.977 -12.516 0.113 1.00 1.56 H new ATOM 0 HD3 ARG A 45 -7.119 -11.188 0.190 1.00 1.56 H new ATOM 0 HE ARG A 45 -8.229 -13.545 1.442 1.00 1.96 H new ATOM 0 HH11 ARG A 45 -5.910 -10.920 1.893 1.00 2.28 H new ATOM 0 HH12 ARG A 45 -6.015 -10.976 3.655 1.00 2.28 H new ATOM 0 HH21 ARG A 45 -8.360 -13.606 3.709 1.00 3.08 H new ATOM 0 HH22 ARG A 45 -7.394 -12.488 4.679 1.00 3.08 H new ATOM 622 N ILE A 46 -6.358 -9.030 -3.336 1.00 0.38 N ATOM 623 CA ILE A 46 -5.524 -8.389 -4.343 1.00 0.33 C ATOM 624 C ILE A 46 -4.057 -8.569 -3.975 1.00 0.30 C ATOM 625 O ILE A 46 -3.679 -8.323 -2.836 1.00 0.34 O ATOM 626 CB ILE A 46 -5.832 -6.885 -4.487 1.00 0.35 C ATOM 627 CG1 ILE A 46 -7.253 -6.678 -4.998 1.00 0.44 C ATOM 628 CG2 ILE A 46 -4.839 -6.233 -5.432 1.00 0.45 C ATOM 629 CD1 ILE A 46 -8.307 -6.701 -3.916 1.00 0.40 C ATOM 0 H ILE A 46 -6.316 -8.590 -2.417 1.00 0.38 H new ATOM 0 HA ILE A 46 -5.741 -8.864 -5.300 1.00 0.33 H new ATOM 0 HB ILE A 46 -5.743 -6.419 -3.505 1.00 0.35 H new ATOM 0 HG12 ILE A 46 -7.304 -5.723 -5.520 1.00 0.44 H new ATOM 0 HG13 ILE A 46 -7.481 -7.453 -5.729 1.00 0.44 H new ATOM 0 HG21 ILE A 46 -5.068 -5.171 -5.525 1.00 0.45 H new ATOM 0 HG22 ILE A 46 -3.830 -6.354 -5.039 1.00 0.45 H new ATOM 0 HG23 ILE A 46 -4.905 -6.705 -6.412 1.00 0.45 H new ATOM 0 HD11 ILE A 46 -9.290 -6.547 -4.362 1.00 0.40 H new ATOM 0 HD12 ILE A 46 -8.286 -7.665 -3.408 1.00 0.40 H new ATOM 0 HD13 ILE A 46 -8.107 -5.908 -3.196 1.00 0.40 H new ATOM 641 N LYS A 47 -3.238 -9.020 -4.913 1.00 0.31 N ATOM 642 CA LYS A 47 -1.817 -9.191 -4.647 1.00 0.38 C ATOM 643 C LYS A 47 -0.975 -8.892 -5.878 1.00 0.41 C ATOM 644 O LYS A 47 -1.075 -9.580 -6.895 1.00 0.51 O ATOM 645 CB LYS A 47 -1.522 -10.592 -4.145 1.00 0.51 C ATOM 646 CG LYS A 47 -0.052 -10.813 -3.832 1.00 0.91 C ATOM 647 CD LYS A 47 0.151 -12.052 -2.990 1.00 1.56 C ATOM 648 CE LYS A 47 1.627 -12.304 -2.723 1.00 2.17 C ATOM 649 NZ LYS A 47 1.843 -13.485 -1.848 1.00 2.74 N ATOM 0 H LYS A 47 -3.529 -9.272 -5.857 1.00 0.31 H new ATOM 0 HA LYS A 47 -1.549 -8.475 -3.870 1.00 0.38 H new ATOM 0 HB2 LYS A 47 -2.111 -10.782 -3.248 1.00 0.51 H new ATOM 0 HB3 LYS A 47 -1.841 -11.316 -4.895 1.00 0.51 H new ATOM 0 HG2 LYS A 47 0.510 -10.907 -4.761 1.00 0.91 H new ATOM 0 HG3 LYS A 47 0.344 -9.944 -3.306 1.00 0.91 H new ATOM 0 HD2 LYS A 47 -0.378 -11.942 -2.043 1.00 1.56 H new ATOM 0 HD3 LYS A 47 -0.281 -12.914 -3.498 1.00 1.56 H new ATOM 0 HE2 LYS A 47 2.146 -12.455 -3.670 1.00 2.17 H new ATOM 0 HE3 LYS A 47 2.066 -11.422 -2.256 1.00 2.17 H new ATOM 0 HZ1 LYS A 47 2.862 -13.620 -1.692 1.00 2.74 H new ATOM 0 HZ2 LYS A 47 1.371 -13.331 -0.934 1.00 2.74 H new ATOM 0 HZ3 LYS A 47 1.448 -14.332 -2.304 1.00 2.74 H new ATOM 663 N GLN A 48 -0.146 -7.863 -5.781 1.00 0.40 N ATOM 664 CA GLN A 48 0.778 -7.520 -6.851 1.00 0.47 C ATOM 665 C GLN A 48 2.193 -7.406 -6.301 1.00 0.50 C ATOM 666 O GLN A 48 2.478 -6.555 -5.457 1.00 0.78 O ATOM 667 CB GLN A 48 0.367 -6.208 -7.524 1.00 0.52 C ATOM 668 CG GLN A 48 -0.998 -6.266 -8.194 1.00 0.55 C ATOM 669 CD GLN A 48 -1.348 -4.990 -8.935 1.00 0.82 C ATOM 670 OE1 GLN A 48 -2.517 -4.618 -9.035 1.00 1.63 O ATOM 671 NE2 GLN A 48 -0.347 -4.317 -9.477 1.00 1.37 N ATOM 0 H GLN A 48 -0.095 -7.249 -4.968 1.00 0.40 H new ATOM 0 HA GLN A 48 0.749 -8.312 -7.599 1.00 0.47 H new ATOM 0 HB2 GLN A 48 0.362 -5.413 -6.778 1.00 0.52 H new ATOM 0 HB3 GLN A 48 1.117 -5.942 -8.269 1.00 0.52 H new ATOM 0 HG2 GLN A 48 -1.019 -7.103 -8.892 1.00 0.55 H new ATOM 0 HG3 GLN A 48 -1.759 -6.462 -7.439 1.00 0.55 H new ATOM 0 HE21 GLN A 48 0.610 -4.655 -9.374 1.00 1.37 H new ATOM 0 HE22 GLN A 48 -0.532 -3.460 -9.998 1.00 1.37 H new ATOM 680 N ALA A 49 3.077 -8.267 -6.776 1.00 0.32 N ATOM 681 CA ALA A 49 4.448 -8.298 -6.294 1.00 0.31 C ATOM 682 C ALA A 49 5.429 -8.011 -7.418 1.00 0.31 C ATOM 683 O ALA A 49 5.110 -8.201 -8.595 1.00 0.39 O ATOM 684 CB ALA A 49 4.751 -9.645 -5.661 1.00 0.33 C ATOM 0 H ALA A 49 2.869 -8.957 -7.498 1.00 0.32 H new ATOM 0 HA ALA A 49 4.561 -7.519 -5.540 1.00 0.31 H new ATOM 0 HB1 ALA A 49 5.781 -9.656 -5.304 1.00 0.33 H new ATOM 0 HB2 ALA A 49 4.075 -9.814 -4.823 1.00 0.33 H new ATOM 0 HB3 ALA A 49 4.615 -10.434 -6.401 1.00 0.33 H new ATOM 690 N GLY A 50 6.617 -7.549 -7.056 1.00 0.25 N ATOM 691 CA GLY A 50 7.640 -7.282 -8.042 1.00 0.26 C ATOM 692 C GLY A 50 8.744 -6.414 -7.492 1.00 0.23 C ATOM 693 O GLY A 50 9.146 -6.564 -6.337 1.00 0.25 O ATOM 0 H GLY A 50 6.890 -7.354 -6.093 1.00 0.25 H new ATOM 0 HA2 GLY A 50 8.061 -8.225 -8.392 1.00 0.26 H new ATOM 0 HA3 GLY A 50 7.191 -6.793 -8.906 1.00 0.26 H new ATOM 697 N ALA A 51 9.224 -5.498 -8.310 1.00 0.23 N ATOM 698 CA ALA A 51 10.293 -4.610 -7.919 1.00 0.21 C ATOM 699 C ALA A 51 10.063 -3.232 -8.517 1.00 0.23 C ATOM 700 O ALA A 51 9.357 -3.096 -9.520 1.00 0.38 O ATOM 701 CB ALA A 51 11.632 -5.167 -8.365 1.00 0.23 C ATOM 0 H ALA A 51 8.883 -5.351 -9.260 1.00 0.23 H new ATOM 0 HA ALA A 51 10.304 -4.524 -6.832 1.00 0.21 H new ATOM 0 HB1 ALA A 51 12.428 -4.486 -8.063 1.00 0.23 H new ATOM 0 HB2 ALA A 51 11.793 -6.141 -7.903 1.00 0.23 H new ATOM 0 HB3 ALA A 51 11.638 -5.274 -9.450 1.00 0.23 H new ATOM 707 N PHE A 52 10.652 -2.221 -7.908 1.00 0.15 N ATOM 708 CA PHE A 52 10.510 -0.851 -8.374 1.00 0.16 C ATOM 709 C PHE A 52 11.673 -0.009 -7.845 1.00 0.14 C ATOM 710 O PHE A 52 12.470 -0.481 -7.027 1.00 0.16 O ATOM 711 CB PHE A 52 9.152 -0.287 -7.930 1.00 0.17 C ATOM 712 CG PHE A 52 8.848 1.104 -8.419 1.00 0.18 C ATOM 713 CD1 PHE A 52 8.752 1.381 -9.774 1.00 0.24 C ATOM 714 CD2 PHE A 52 8.672 2.137 -7.515 1.00 0.16 C ATOM 715 CE1 PHE A 52 8.481 2.664 -10.214 1.00 0.26 C ATOM 716 CE2 PHE A 52 8.403 3.422 -7.947 1.00 0.18 C ATOM 717 CZ PHE A 52 8.307 3.686 -9.301 1.00 0.23 C ATOM 0 H PHE A 52 11.240 -2.323 -7.081 1.00 0.15 H new ATOM 0 HA PHE A 52 10.540 -0.823 -9.463 1.00 0.16 H new ATOM 0 HB2 PHE A 52 8.366 -0.958 -8.278 1.00 0.17 H new ATOM 0 HB3 PHE A 52 9.114 -0.289 -6.841 1.00 0.17 H new ATOM 0 HD1 PHE A 52 8.890 0.587 -10.493 1.00 0.24 H new ATOM 0 HD2 PHE A 52 8.746 1.936 -6.456 1.00 0.16 H new ATOM 0 HE1 PHE A 52 8.405 2.867 -11.272 1.00 0.26 H new ATOM 0 HE2 PHE A 52 8.268 4.218 -7.229 1.00 0.18 H new ATOM 0 HZ PHE A 52 8.097 4.688 -9.644 1.00 0.23 H new ATOM 727 N THR A 53 11.764 1.225 -8.306 1.00 0.15 N ATOM 728 CA THR A 53 12.855 2.106 -7.935 1.00 0.16 C ATOM 729 C THR A 53 12.520 2.856 -6.653 1.00 0.16 C ATOM 730 O THR A 53 11.385 3.293 -6.463 1.00 0.27 O ATOM 731 CB THR A 53 13.142 3.112 -9.054 1.00 0.21 C ATOM 732 OG1 THR A 53 12.307 2.831 -10.190 1.00 0.43 O ATOM 733 CG2 THR A 53 14.604 3.054 -9.465 1.00 0.40 C ATOM 0 H THR A 53 11.087 1.643 -8.945 1.00 0.15 H new ATOM 0 HA THR A 53 13.742 1.494 -7.772 1.00 0.16 H new ATOM 0 HB THR A 53 12.924 4.113 -8.683 1.00 0.21 H new ATOM 0 HG1 THR A 53 12.494 3.479 -10.901 1.00 0.43 H new ATOM 0 HG21 THR A 53 14.787 3.776 -10.261 1.00 0.40 H new ATOM 0 HG22 THR A 53 15.233 3.292 -8.607 1.00 0.40 H new ATOM 0 HG23 THR A 53 14.842 2.052 -9.822 1.00 0.40 H new ATOM 741 N ALA A 54 13.501 3.009 -5.780 1.00 0.13 N ATOM 742 CA ALA A 54 13.268 3.632 -4.490 1.00 0.13 C ATOM 743 C ALA A 54 14.371 4.631 -4.158 1.00 0.14 C ATOM 744 O ALA A 54 15.521 4.445 -4.534 1.00 0.23 O ATOM 745 CB ALA A 54 13.144 2.571 -3.402 1.00 0.15 C ATOM 0 H ALA A 54 14.463 2.711 -5.941 1.00 0.13 H new ATOM 0 HA ALA A 54 12.328 4.182 -4.540 1.00 0.13 H new ATOM 0 HB1 ALA A 54 12.970 3.054 -2.441 1.00 0.15 H new ATOM 0 HB2 ALA A 54 12.309 1.909 -3.632 1.00 0.15 H new ATOM 0 HB3 ALA A 54 14.065 1.990 -3.354 1.00 0.15 H new ATOM 751 N ILE A 55 14.003 5.707 -3.479 1.00 0.17 N ATOM 752 CA ILE A 55 14.959 6.734 -3.086 1.00 0.18 C ATOM 753 C ILE A 55 15.155 6.737 -1.585 1.00 0.16 C ATOM 754 O ILE A 55 14.205 6.544 -0.828 1.00 0.14 O ATOM 755 CB ILE A 55 14.503 8.122 -3.542 1.00 0.21 C ATOM 756 CG1 ILE A 55 14.532 8.190 -5.059 1.00 0.26 C ATOM 757 CG2 ILE A 55 15.373 9.209 -2.936 1.00 0.23 C ATOM 758 CD1 ILE A 55 15.566 9.137 -5.614 1.00 0.33 C ATOM 0 H ILE A 55 13.044 5.893 -3.187 1.00 0.17 H new ATOM 0 HA ILE A 55 15.906 6.500 -3.573 1.00 0.18 H new ATOM 0 HB ILE A 55 13.483 8.290 -3.196 1.00 0.21 H new ATOM 0 HG12 ILE A 55 14.721 7.191 -5.453 1.00 0.26 H new ATOM 0 HG13 ILE A 55 13.548 8.493 -5.417 1.00 0.26 H new ATOM 0 HG21 ILE A 55 15.027 10.185 -3.277 1.00 0.23 H new ATOM 0 HG22 ILE A 55 15.310 9.161 -1.849 1.00 0.23 H new ATOM 0 HG23 ILE A 55 16.407 9.062 -3.247 1.00 0.23 H new ATOM 0 HD11 ILE A 55 15.521 9.127 -6.703 1.00 0.33 H new ATOM 0 HD12 ILE A 55 15.367 10.146 -5.252 1.00 0.33 H new ATOM 0 HD13 ILE A 55 16.558 8.824 -5.289 1.00 0.33 H new ATOM 770 N ALA A 56 16.395 6.962 -1.174 1.00 0.17 N ATOM 771 CA ALA A 56 16.753 6.964 0.238 1.00 0.18 C ATOM 772 C ALA A 56 16.021 8.050 1.004 1.00 0.17 C ATOM 773 O ALA A 56 16.077 9.226 0.641 1.00 0.20 O ATOM 774 CB ALA A 56 18.245 7.118 0.442 1.00 0.22 C ATOM 0 H ALA A 56 17.176 7.147 -1.804 1.00 0.17 H new ATOM 0 HA ALA A 56 16.447 5.994 0.630 1.00 0.18 H new ATOM 0 HB1 ALA A 56 18.469 7.115 1.509 1.00 0.22 H new ATOM 0 HB2 ALA A 56 18.766 6.291 -0.041 1.00 0.22 H new ATOM 0 HB3 ALA A 56 18.577 8.060 0.005 1.00 0.22 H new ATOM 780 N GLU A 57 15.330 7.627 2.058 1.00 0.16 N ATOM 781 CA GLU A 57 14.578 8.517 2.920 1.00 0.18 C ATOM 782 C GLU A 57 13.472 9.190 2.128 1.00 0.19 C ATOM 783 O GLU A 57 13.072 10.321 2.402 1.00 0.28 O ATOM 784 CB GLU A 57 15.512 9.525 3.562 1.00 0.23 C ATOM 785 CG GLU A 57 16.586 8.862 4.411 1.00 0.27 C ATOM 786 CD GLU A 57 17.644 9.836 4.862 1.00 0.74 C ATOM 787 OE1 GLU A 57 17.307 10.781 5.601 1.00 0.75 O ATOM 788 OE2 GLU A 57 18.817 9.667 4.471 1.00 1.33 O ATOM 0 H GLU A 57 15.279 6.647 2.336 1.00 0.16 H new ATOM 0 HA GLU A 57 14.109 7.946 3.721 1.00 0.18 H new ATOM 0 HB2 GLU A 57 15.986 10.124 2.784 1.00 0.23 H new ATOM 0 HB3 GLU A 57 14.933 10.209 4.183 1.00 0.23 H new ATOM 0 HG2 GLU A 57 16.123 8.403 5.284 1.00 0.27 H new ATOM 0 HG3 GLU A 57 17.054 8.060 3.839 1.00 0.27 H new ATOM 795 N GLN A 58 12.990 8.462 1.138 1.00 0.16 N ATOM 796 CA GLN A 58 11.909 8.891 0.301 1.00 0.18 C ATOM 797 C GLN A 58 10.809 7.864 0.344 1.00 0.17 C ATOM 798 O GLN A 58 11.060 6.668 0.502 1.00 0.19 O ATOM 799 CB GLN A 58 12.367 9.076 -1.122 1.00 0.20 C ATOM 800 CG GLN A 58 12.252 10.505 -1.594 1.00 0.28 C ATOM 801 CD GLN A 58 11.100 11.256 -0.953 1.00 0.70 C ATOM 802 OE1 GLN A 58 11.259 11.910 0.078 1.00 1.38 O ATOM 803 NE2 GLN A 58 9.928 11.159 -1.557 1.00 1.48 N ATOM 0 H GLN A 58 13.353 7.540 0.897 1.00 0.16 H new ATOM 0 HA GLN A 58 11.543 9.849 0.671 1.00 0.18 H new ATOM 0 HB2 GLN A 58 13.404 8.752 -1.210 1.00 0.20 H new ATOM 0 HB3 GLN A 58 11.776 8.434 -1.775 1.00 0.20 H new ATOM 0 HG2 GLN A 58 13.183 11.028 -1.378 1.00 0.28 H new ATOM 0 HG3 GLN A 58 12.125 10.514 -2.677 1.00 0.28 H new ATOM 0 HE21 GLN A 58 9.838 10.607 -2.410 1.00 1.48 H new ATOM 0 HE22 GLN A 58 9.114 11.636 -1.170 1.00 1.48 H new ATOM 812 N ARG A 59 9.604 8.339 0.216 1.00 0.16 N ATOM 813 CA ARG A 59 8.439 7.478 0.190 1.00 0.17 C ATOM 814 C ARG A 59 8.169 7.010 -1.233 1.00 0.17 C ATOM 815 O ARG A 59 8.134 7.813 -2.167 1.00 0.22 O ATOM 816 CB ARG A 59 7.218 8.212 0.728 1.00 0.24 C ATOM 817 CG ARG A 59 6.894 7.931 2.185 1.00 0.30 C ATOM 818 CD ARG A 59 7.966 8.414 3.132 1.00 0.44 C ATOM 819 NE ARG A 59 7.550 8.250 4.526 1.00 1.37 N ATOM 820 CZ ARG A 59 8.025 8.960 5.550 1.00 1.72 C ATOM 821 NH1 ARG A 59 8.963 9.882 5.359 1.00 1.51 N ATOM 822 NH2 ARG A 59 7.553 8.743 6.770 1.00 2.72 N ATOM 0 H ARG A 59 9.393 9.333 0.126 1.00 0.16 H new ATOM 0 HA ARG A 59 8.636 6.613 0.824 1.00 0.17 H new ATOM 0 HB2 ARG A 59 7.373 9.284 0.606 1.00 0.24 H new ATOM 0 HB3 ARG A 59 6.354 7.944 0.120 1.00 0.24 H new ATOM 0 HG2 ARG A 59 5.949 8.410 2.440 1.00 0.30 H new ATOM 0 HG3 ARG A 59 6.754 6.858 2.320 1.00 0.30 H new ATOM 0 HD2 ARG A 59 8.888 7.859 2.957 1.00 0.44 H new ATOM 0 HD3 ARG A 59 8.184 9.464 2.935 1.00 0.44 H new ATOM 0 HE ARG A 59 6.845 7.541 4.729 1.00 1.37 H new ATOM 0 HH11 ARG A 59 9.327 10.053 4.422 1.00 1.51 H new ATOM 0 HH12 ARG A 59 9.319 10.419 6.150 1.00 1.51 H new ATOM 0 HH21 ARG A 59 6.832 8.037 6.920 1.00 2.72 H new ATOM 0 HH22 ARG A 59 7.911 9.282 7.559 1.00 2.72 H new ATOM 836 N VAL A 60 7.998 5.712 -1.389 1.00 0.13 N ATOM 837 CA VAL A 60 7.722 5.110 -2.675 1.00 0.14 C ATOM 838 C VAL A 60 6.422 4.337 -2.593 1.00 0.13 C ATOM 839 O VAL A 60 6.350 3.310 -1.935 1.00 0.12 O ATOM 840 CB VAL A 60 8.881 4.171 -3.090 1.00 0.14 C ATOM 841 CG1 VAL A 60 8.489 3.291 -4.268 1.00 0.15 C ATOM 842 CG2 VAL A 60 10.102 4.996 -3.444 1.00 0.15 C ATOM 0 H VAL A 60 8.047 5.043 -0.621 1.00 0.13 H new ATOM 0 HA VAL A 60 7.631 5.892 -3.429 1.00 0.14 H new ATOM 0 HB VAL A 60 9.109 3.519 -2.247 1.00 0.14 H new ATOM 0 HG11 VAL A 60 9.325 2.644 -4.533 1.00 0.15 H new ATOM 0 HG12 VAL A 60 7.630 2.679 -3.995 1.00 0.15 H new ATOM 0 HG13 VAL A 60 8.231 3.919 -5.121 1.00 0.15 H new ATOM 0 HG21 VAL A 60 10.917 4.333 -3.736 1.00 0.15 H new ATOM 0 HG22 VAL A 60 9.863 5.663 -4.272 1.00 0.15 H new ATOM 0 HG23 VAL A 60 10.406 5.586 -2.579 1.00 0.15 H new ATOM 852 N THR A 61 5.390 4.819 -3.257 1.00 0.15 N ATOM 853 CA THR A 61 4.098 4.188 -3.130 1.00 0.15 C ATOM 854 C THR A 61 3.916 3.112 -4.178 1.00 0.16 C ATOM 855 O THR A 61 4.129 3.328 -5.373 1.00 0.19 O ATOM 856 CB THR A 61 2.948 5.202 -3.174 1.00 0.17 C ATOM 857 OG1 THR A 61 3.358 6.433 -2.563 1.00 0.19 O ATOM 858 CG2 THR A 61 1.754 4.642 -2.435 1.00 0.19 C ATOM 0 H THR A 61 5.421 5.629 -3.877 1.00 0.15 H new ATOM 0 HA THR A 61 4.068 3.718 -2.147 1.00 0.15 H new ATOM 0 HB THR A 61 2.677 5.393 -4.213 1.00 0.17 H new ATOM 0 HG1 THR A 61 2.620 7.076 -2.596 1.00 0.19 H new ATOM 0 HG21 THR A 61 0.936 5.362 -2.466 1.00 0.19 H new ATOM 0 HG22 THR A 61 1.437 3.712 -2.908 1.00 0.19 H new ATOM 0 HG23 THR A 61 2.027 4.447 -1.398 1.00 0.19 H new ATOM 866 N VAL A 62 3.520 1.948 -3.706 1.00 0.15 N ATOM 867 CA VAL A 62 3.571 0.747 -4.491 1.00 0.15 C ATOM 868 C VAL A 62 2.220 0.037 -4.555 1.00 0.15 C ATOM 869 O VAL A 62 1.509 -0.063 -3.554 1.00 0.16 O ATOM 870 CB VAL A 62 4.667 -0.180 -3.906 1.00 0.14 C ATOM 871 CG1 VAL A 62 4.412 -1.657 -4.178 1.00 0.14 C ATOM 872 CG2 VAL A 62 6.031 0.240 -4.434 1.00 0.16 C ATOM 0 H VAL A 62 3.154 1.815 -2.763 1.00 0.15 H new ATOM 0 HA VAL A 62 3.819 1.011 -5.519 1.00 0.15 H new ATOM 0 HB VAL A 62 4.641 -0.065 -2.822 1.00 0.14 H new ATOM 0 HG11 VAL A 62 5.215 -2.251 -3.742 1.00 0.14 H new ATOM 0 HG12 VAL A 62 3.461 -1.950 -3.733 1.00 0.14 H new ATOM 0 HG13 VAL A 62 4.377 -1.828 -5.254 1.00 0.14 H new ATOM 0 HG21 VAL A 62 6.798 -0.414 -4.020 1.00 0.16 H new ATOM 0 HG22 VAL A 62 6.039 0.166 -5.521 1.00 0.16 H new ATOM 0 HG23 VAL A 62 6.234 1.269 -4.139 1.00 0.16 H new ATOM 882 N GLY A 63 1.867 -0.431 -5.751 1.00 0.18 N ATOM 883 CA GLY A 63 0.645 -1.188 -5.934 1.00 0.21 C ATOM 884 C GLY A 63 -0.566 -0.301 -6.093 1.00 0.20 C ATOM 885 O GLY A 63 -1.393 -0.211 -5.194 1.00 0.28 O ATOM 0 H GLY A 63 2.413 -0.296 -6.602 1.00 0.18 H new ATOM 0 HA2 GLY A 63 0.744 -1.824 -6.814 1.00 0.21 H new ATOM 0 HA3 GLY A 63 0.498 -1.848 -5.079 1.00 0.21 H new ATOM 889 N ASN A 64 -0.671 0.355 -7.239 1.00 0.33 N ATOM 890 CA ASN A 64 -1.797 1.232 -7.507 1.00 0.40 C ATOM 891 C ASN A 64 -2.982 0.404 -7.969 1.00 0.37 C ATOM 892 O ASN A 64 -2.996 -0.117 -9.083 1.00 0.52 O ATOM 893 CB ASN A 64 -1.422 2.269 -8.578 1.00 0.67 C ATOM 894 CG ASN A 64 -2.531 3.272 -8.881 1.00 1.31 C ATOM 895 OD1 ASN A 64 -3.719 2.969 -8.786 1.00 2.17 O ATOM 896 ND2 ASN A 64 -2.147 4.478 -9.260 1.00 1.98 N ATOM 0 H ASN A 64 0.010 0.296 -7.996 1.00 0.33 H new ATOM 0 HA ASN A 64 -2.064 1.763 -6.593 1.00 0.40 H new ATOM 0 HB2 ASN A 64 -0.535 2.811 -8.250 1.00 0.67 H new ATOM 0 HB3 ASN A 64 -1.156 1.748 -9.497 1.00 0.67 H new ATOM 0 HD21 ASN A 64 -2.844 5.188 -9.483 1.00 1.98 H new ATOM 0 HD22 ASN A 64 -1.154 4.699 -9.329 1.00 1.98 H new ATOM 903 N VAL A 65 -3.966 0.281 -7.101 1.00 0.25 N ATOM 904 CA VAL A 65 -5.209 -0.387 -7.442 1.00 0.33 C ATOM 905 C VAL A 65 -6.375 0.548 -7.140 1.00 0.27 C ATOM 906 O VAL A 65 -6.367 1.249 -6.130 1.00 0.35 O ATOM 907 CB VAL A 65 -5.376 -1.729 -6.680 1.00 0.43 C ATOM 908 CG1 VAL A 65 -4.153 -2.617 -6.878 1.00 1.29 C ATOM 909 CG2 VAL A 65 -5.631 -1.505 -5.197 1.00 1.10 C ATOM 0 H VAL A 65 -3.929 0.638 -6.146 1.00 0.25 H new ATOM 0 HA VAL A 65 -5.191 -0.627 -8.505 1.00 0.33 H new ATOM 0 HB VAL A 65 -6.248 -2.233 -7.096 1.00 0.43 H new ATOM 0 HG11 VAL A 65 -4.291 -3.552 -6.336 1.00 1.29 H new ATOM 0 HG12 VAL A 65 -4.025 -2.829 -7.940 1.00 1.29 H new ATOM 0 HG13 VAL A 65 -3.267 -2.106 -6.501 1.00 1.29 H new ATOM 0 HG21 VAL A 65 -5.743 -2.467 -4.698 1.00 1.10 H new ATOM 0 HG22 VAL A 65 -4.791 -0.965 -4.761 1.00 1.10 H new ATOM 0 HG23 VAL A 65 -6.543 -0.922 -5.069 1.00 1.10 H new ATOM 919 N VAL A 66 -7.358 0.596 -8.019 1.00 0.25 N ATOM 920 CA VAL A 66 -8.452 1.537 -7.846 1.00 0.23 C ATOM 921 C VAL A 66 -9.768 0.815 -7.615 1.00 0.24 C ATOM 922 O VAL A 66 -10.258 0.081 -8.474 1.00 0.27 O ATOM 923 CB VAL A 66 -8.582 2.495 -9.043 1.00 0.28 C ATOM 924 CG1 VAL A 66 -9.671 3.528 -8.790 1.00 0.30 C ATOM 925 CG2 VAL A 66 -7.253 3.180 -9.319 1.00 0.29 C ATOM 0 H VAL A 66 -7.424 0.005 -8.848 1.00 0.25 H new ATOM 0 HA VAL A 66 -8.217 2.130 -6.962 1.00 0.23 H new ATOM 0 HB VAL A 66 -8.862 1.912 -9.921 1.00 0.28 H new ATOM 0 HG11 VAL A 66 -9.746 4.195 -9.649 1.00 0.30 H new ATOM 0 HG12 VAL A 66 -10.625 3.022 -8.639 1.00 0.30 H new ATOM 0 HG13 VAL A 66 -9.423 4.108 -7.901 1.00 0.30 H new ATOM 0 HG21 VAL A 66 -7.361 3.854 -10.168 1.00 0.29 H new ATOM 0 HG22 VAL A 66 -6.947 3.749 -8.441 1.00 0.29 H new ATOM 0 HG23 VAL A 66 -6.497 2.429 -9.546 1.00 0.29 H new ATOM 935 N LEU A 67 -10.330 1.044 -6.446 1.00 0.22 N ATOM 936 CA LEU A 67 -11.555 0.393 -6.028 1.00 0.23 C ATOM 937 C LEU A 67 -12.710 1.376 -6.130 1.00 0.24 C ATOM 938 O LEU A 67 -12.495 2.577 -6.301 1.00 0.26 O ATOM 939 CB LEU A 67 -11.456 -0.073 -4.570 1.00 0.21 C ATOM 940 CG LEU A 67 -10.177 -0.806 -4.139 1.00 0.19 C ATOM 941 CD1 LEU A 67 -9.778 -1.868 -5.153 1.00 0.25 C ATOM 942 CD2 LEU A 67 -9.024 0.160 -3.889 1.00 0.18 C ATOM 0 H LEU A 67 -9.948 1.690 -5.755 1.00 0.22 H new ATOM 0 HA LEU A 67 -11.718 -0.469 -6.675 1.00 0.23 H new ATOM 0 HB2 LEU A 67 -11.573 0.802 -3.930 1.00 0.21 H new ATOM 0 HB3 LEU A 67 -12.302 -0.730 -4.370 1.00 0.21 H new ATOM 0 HG LEU A 67 -10.401 -1.303 -3.195 1.00 0.19 H new ATOM 0 HD11 LEU A 67 -8.869 -2.368 -4.818 1.00 0.25 H new ATOM 0 HD12 LEU A 67 -10.580 -2.600 -5.249 1.00 0.25 H new ATOM 0 HD13 LEU A 67 -9.598 -1.398 -6.120 1.00 0.25 H new ATOM 0 HD21 LEU A 67 -8.139 -0.400 -3.586 1.00 0.18 H new ATOM 0 HD22 LEU A 67 -8.808 0.713 -4.803 1.00 0.18 H new ATOM 0 HD23 LEU A 67 -9.299 0.858 -3.099 1.00 0.18 H new ATOM 954 N ASP A 68 -13.931 0.878 -6.040 1.00 0.26 N ATOM 955 CA ASP A 68 -15.078 1.751 -5.862 1.00 0.28 C ATOM 956 C ASP A 68 -15.082 2.255 -4.425 1.00 0.28 C ATOM 957 O ASP A 68 -14.957 1.475 -3.481 1.00 0.30 O ATOM 958 CB ASP A 68 -16.391 1.037 -6.210 1.00 0.32 C ATOM 959 CG ASP A 68 -16.673 -0.172 -5.340 1.00 0.79 C ATOM 960 OD1 ASP A 68 -15.928 -1.169 -5.440 1.00 0.92 O ATOM 961 OD2 ASP A 68 -17.626 -0.122 -4.537 1.00 1.25 O ATOM 0 H ASP A 68 -14.153 -0.117 -6.087 1.00 0.26 H new ATOM 0 HA ASP A 68 -14.999 2.597 -6.545 1.00 0.28 H new ATOM 0 HB2 ASP A 68 -17.216 1.743 -6.114 1.00 0.32 H new ATOM 0 HB3 ASP A 68 -16.359 0.724 -7.254 1.00 0.32 H new ATOM 966 N TYR A 69 -15.190 3.562 -4.262 1.00 0.28 N ATOM 967 CA TYR A 69 -15.024 4.189 -2.958 1.00 0.27 C ATOM 968 C TYR A 69 -16.272 4.080 -2.102 1.00 0.27 C ATOM 969 O TYR A 69 -17.376 4.389 -2.550 1.00 0.30 O ATOM 970 CB TYR A 69 -14.651 5.660 -3.131 1.00 0.29 C ATOM 971 CG TYR A 69 -14.900 6.507 -1.907 1.00 0.28 C ATOM 972 CD1 TYR A 69 -14.238 6.250 -0.716 1.00 0.26 C ATOM 973 CD2 TYR A 69 -15.783 7.576 -1.956 1.00 0.31 C ATOM 974 CE1 TYR A 69 -14.457 7.043 0.406 1.00 0.27 C ATOM 975 CE2 TYR A 69 -16.009 8.363 -0.848 1.00 0.32 C ATOM 976 CZ TYR A 69 -15.346 8.093 0.327 1.00 0.30 C ATOM 977 OH TYR A 69 -15.578 8.875 1.430 1.00 0.33 O ATOM 0 H TYR A 69 -15.393 4.214 -5.019 1.00 0.28 H new ATOM 0 HA TYR A 69 -14.224 3.656 -2.444 1.00 0.27 H new ATOM 0 HB2 TYR A 69 -13.596 5.727 -3.398 1.00 0.29 H new ATOM 0 HB3 TYR A 69 -15.218 6.072 -3.966 1.00 0.29 H new ATOM 0 HD1 TYR A 69 -13.544 5.424 -0.659 1.00 0.26 H new ATOM 0 HD2 TYR A 69 -16.302 7.795 -2.878 1.00 0.31 H new ATOM 0 HE1 TYR A 69 -13.936 6.838 1.329 1.00 0.27 H new ATOM 0 HE2 TYR A 69 -16.704 9.188 -0.902 1.00 0.32 H new ATOM 0 HH TYR A 69 -16.230 9.572 1.206 1.00 0.33 H new ATOM 987 N SER A 70 -16.095 3.614 -0.877 1.00 0.25 N ATOM 988 CA SER A 70 -17.125 3.759 0.129 1.00 0.27 C ATOM 989 C SER A 70 -16.466 4.030 1.470 1.00 0.29 C ATOM 990 O SER A 70 -15.578 3.290 1.890 1.00 0.28 O ATOM 991 CB SER A 70 -18.007 2.515 0.217 1.00 0.30 C ATOM 992 OG SER A 70 -18.076 1.835 -1.029 1.00 0.99 O ATOM 0 H SER A 70 -15.252 3.135 -0.560 1.00 0.25 H new ATOM 0 HA SER A 70 -17.769 4.593 -0.149 1.00 0.27 H new ATOM 0 HB2 SER A 70 -17.613 1.842 0.978 1.00 0.30 H new ATOM 0 HB3 SER A 70 -19.010 2.801 0.532 1.00 0.30 H new ATOM 0 HG SER A 70 -18.646 1.043 -0.938 1.00 0.99 H new ATOM 998 N SER A 71 -16.886 5.097 2.129 1.00 0.36 N ATOM 999 CA SER A 71 -16.374 5.427 3.448 1.00 0.42 C ATOM 1000 C SER A 71 -16.828 4.390 4.470 1.00 0.43 C ATOM 1001 O SER A 71 -16.302 4.313 5.580 1.00 0.50 O ATOM 1002 CB SER A 71 -16.845 6.816 3.846 1.00 0.50 C ATOM 1003 OG SER A 71 -18.244 6.956 3.658 1.00 0.54 O ATOM 0 H SER A 71 -17.582 5.751 1.771 1.00 0.36 H new ATOM 0 HA SER A 71 -15.284 5.419 3.421 1.00 0.42 H new ATOM 0 HB2 SER A 71 -16.595 7.002 4.891 1.00 0.50 H new ATOM 0 HB3 SER A 71 -16.319 7.565 3.254 1.00 0.50 H new ATOM 0 HG SER A 71 -18.521 7.858 3.923 1.00 0.54 H new ATOM 1009 N ALA A 72 -17.809 3.590 4.073 1.00 0.39 N ATOM 1010 CA ALA A 72 -18.353 2.547 4.922 1.00 0.43 C ATOM 1011 C ALA A 72 -17.819 1.172 4.539 1.00 0.40 C ATOM 1012 O ALA A 72 -18.247 0.160 5.092 1.00 0.50 O ATOM 1013 CB ALA A 72 -19.860 2.557 4.827 1.00 0.47 C ATOM 0 H ALA A 72 -18.247 3.649 3.154 1.00 0.39 H new ATOM 0 HA ALA A 72 -18.042 2.748 5.947 1.00 0.43 H new ATOM 0 HB1 ALA A 72 -20.270 1.774 5.465 1.00 0.47 H new ATOM 0 HB2 ALA A 72 -20.239 3.526 5.153 1.00 0.47 H new ATOM 0 HB3 ALA A 72 -20.161 2.379 3.795 1.00 0.47 H new ATOM 1019 N ASN A 73 -16.897 1.129 3.589 1.00 0.32 N ATOM 1020 CA ASN A 73 -16.345 -0.142 3.134 1.00 0.30 C ATOM 1021 C ASN A 73 -15.018 -0.414 3.817 1.00 0.33 C ATOM 1022 O ASN A 73 -14.303 0.513 4.201 1.00 0.47 O ATOM 1023 CB ASN A 73 -16.160 -0.156 1.622 1.00 0.32 C ATOM 1024 CG ASN A 73 -15.853 -1.545 1.092 1.00 0.53 C ATOM 1025 OD1 ASN A 73 -14.700 -1.955 1.006 1.00 1.32 O ATOM 1026 ND2 ASN A 73 -16.890 -2.281 0.726 1.00 0.95 N ATOM 0 H ASN A 73 -16.517 1.951 3.120 1.00 0.32 H new ATOM 0 HA ASN A 73 -17.054 -0.926 3.399 1.00 0.30 H new ATOM 0 HB2 ASN A 73 -17.064 0.221 1.144 1.00 0.32 H new ATOM 0 HB3 ASN A 73 -15.350 0.521 1.351 1.00 0.32 H new ATOM 0 HD21 ASN A 73 -16.744 -3.221 0.359 1.00 0.95 H new ATOM 0 HD22 ASN A 73 -17.836 -1.908 0.811 1.00 0.95 H new ATOM 1033 N ARG A 74 -14.698 -1.683 3.976 1.00 0.32 N ATOM 1034 CA ARG A 74 -13.441 -2.070 4.581 1.00 0.35 C ATOM 1035 C ARG A 74 -12.409 -2.316 3.498 1.00 0.27 C ATOM 1036 O ARG A 74 -12.473 -3.302 2.767 1.00 0.32 O ATOM 1037 CB ARG A 74 -13.621 -3.330 5.427 1.00 0.48 C ATOM 1038 CG ARG A 74 -14.611 -3.167 6.569 1.00 0.73 C ATOM 1039 CD ARG A 74 -14.094 -2.208 7.630 1.00 1.02 C ATOM 1040 NE ARG A 74 -12.940 -2.751 8.340 1.00 1.49 N ATOM 1041 CZ ARG A 74 -12.384 -2.177 9.403 1.00 1.89 C ATOM 1042 NH1 ARG A 74 -12.816 -0.996 9.828 1.00 2.10 N ATOM 1043 NH2 ARG A 74 -11.373 -2.772 10.022 1.00 2.50 N ATOM 0 H ARG A 74 -15.292 -2.463 3.694 1.00 0.32 H new ATOM 0 HA ARG A 74 -13.099 -1.264 5.230 1.00 0.35 H new ATOM 0 HB2 ARG A 74 -13.954 -4.144 4.783 1.00 0.48 H new ATOM 0 HB3 ARG A 74 -12.654 -3.623 5.836 1.00 0.48 H new ATOM 0 HG2 ARG A 74 -15.560 -2.800 6.178 1.00 0.73 H new ATOM 0 HG3 ARG A 74 -14.807 -4.139 7.022 1.00 0.73 H new ATOM 0 HD2 ARG A 74 -13.820 -1.262 7.162 1.00 1.02 H new ATOM 0 HD3 ARG A 74 -14.890 -1.992 8.343 1.00 1.02 H new ATOM 0 HE ARG A 74 -12.536 -3.624 8.000 1.00 1.49 H new ATOM 0 HH11 ARG A 74 -13.577 -0.525 9.339 1.00 2.10 H new ATOM 0 HH12 ARG A 74 -12.387 -0.559 10.644 1.00 2.10 H new ATOM 0 HH21 ARG A 74 -11.023 -3.668 9.683 1.00 2.50 H new ATOM 0 HH22 ARG A 74 -10.945 -2.333 10.837 1.00 2.50 H new ATOM 1057 N TYR A 75 -11.461 -1.415 3.399 1.00 0.19 N ATOM 1058 CA TYR A 75 -10.358 -1.576 2.481 1.00 0.14 C ATOM 1059 C TYR A 75 -9.064 -1.572 3.263 1.00 0.13 C ATOM 1060 O TYR A 75 -8.775 -0.621 3.982 1.00 0.15 O ATOM 1061 CB TYR A 75 -10.332 -0.453 1.451 1.00 0.12 C ATOM 1062 CG TYR A 75 -11.423 -0.551 0.427 1.00 0.13 C ATOM 1063 CD1 TYR A 75 -11.580 -1.710 -0.295 1.00 0.19 C ATOM 1064 CD2 TYR A 75 -12.285 0.507 0.179 1.00 0.18 C ATOM 1065 CE1 TYR A 75 -12.561 -1.831 -1.242 1.00 0.25 C ATOM 1066 CE2 TYR A 75 -13.280 0.399 -0.773 1.00 0.24 C ATOM 1067 CZ TYR A 75 -13.413 -0.774 -1.483 1.00 0.27 C ATOM 1068 OH TYR A 75 -14.399 -0.892 -2.434 1.00 0.35 O ATOM 0 H TYR A 75 -11.431 -0.556 3.948 1.00 0.19 H new ATOM 0 HA TYR A 75 -10.479 -2.521 1.951 1.00 0.14 H new ATOM 0 HB2 TYR A 75 -10.415 0.504 1.967 1.00 0.12 H new ATOM 0 HB3 TYR A 75 -9.367 -0.459 0.943 1.00 0.12 H new ATOM 0 HD1 TYR A 75 -10.916 -2.542 -0.111 1.00 0.19 H new ATOM 0 HD2 TYR A 75 -12.177 1.426 0.737 1.00 0.18 H new ATOM 0 HE1 TYR A 75 -12.667 -2.751 -1.798 1.00 0.25 H new ATOM 0 HE2 TYR A 75 -13.948 1.227 -0.959 1.00 0.24 H new ATOM 0 HH TYR A 75 -14.741 -0.003 -2.663 1.00 0.35 H new ATOM 1078 N ALA A 76 -8.309 -2.634 3.145 1.00 0.14 N ATOM 1079 CA ALA A 76 -7.037 -2.738 3.821 1.00 0.13 C ATOM 1080 C ALA A 76 -5.952 -3.090 2.835 1.00 0.12 C ATOM 1081 O ALA A 76 -6.222 -3.434 1.690 1.00 0.12 O ATOM 1082 CB ALA A 76 -7.078 -3.759 4.934 1.00 0.16 C ATOM 0 H ALA A 76 -8.555 -3.448 2.581 1.00 0.14 H new ATOM 0 HA ALA A 76 -6.819 -1.768 4.268 1.00 0.13 H new ATOM 0 HB1 ALA A 76 -6.103 -3.808 5.419 1.00 0.16 H new ATOM 0 HB2 ALA A 76 -7.832 -3.470 5.666 1.00 0.16 H new ATOM 0 HB3 ALA A 76 -7.328 -4.737 4.522 1.00 0.16 H new ATOM 1088 N ALA A 77 -4.728 -2.987 3.284 1.00 0.13 N ATOM 1089 CA ALA A 77 -3.586 -3.251 2.450 1.00 0.13 C ATOM 1090 C ALA A 77 -2.498 -3.871 3.282 1.00 0.14 C ATOM 1091 O ALA A 77 -2.555 -3.822 4.502 1.00 0.16 O ATOM 1092 CB ALA A 77 -3.104 -1.970 1.798 1.00 0.12 C ATOM 0 H ALA A 77 -4.495 -2.717 4.240 1.00 0.13 H new ATOM 0 HA ALA A 77 -3.865 -3.945 1.658 1.00 0.13 H new ATOM 0 HB1 ALA A 77 -2.239 -2.184 1.170 1.00 0.12 H new ATOM 0 HB2 ALA A 77 -3.902 -1.551 1.186 1.00 0.12 H new ATOM 0 HB3 ALA A 77 -2.823 -1.253 2.569 1.00 0.12 H new ATOM 1098 N ARG A 78 -1.541 -4.476 2.627 1.00 0.14 N ATOM 1099 CA ARG A 78 -0.407 -5.058 3.300 1.00 0.16 C ATOM 1100 C ARG A 78 0.748 -5.184 2.329 1.00 0.14 C ATOM 1101 O ARG A 78 0.653 -5.856 1.301 1.00 0.16 O ATOM 1102 CB ARG A 78 -0.780 -6.398 3.918 1.00 0.23 C ATOM 1103 CG ARG A 78 -1.106 -7.474 2.920 1.00 0.56 C ATOM 1104 CD ARG A 78 0.002 -8.496 2.909 1.00 1.56 C ATOM 1105 NE ARG A 78 -0.507 -9.857 2.766 1.00 2.06 N ATOM 1106 CZ ARG A 78 0.205 -10.952 3.022 1.00 2.77 C ATOM 1107 NH1 ARG A 78 1.494 -10.858 3.325 1.00 3.25 N ATOM 1108 NH2 ARG A 78 -0.371 -12.149 2.949 1.00 3.35 N ATOM 0 H ARG A 78 -1.525 -4.579 1.612 1.00 0.14 H new ATOM 0 HA ARG A 78 -0.094 -4.407 4.116 1.00 0.16 H new ATOM 0 HB2 ARG A 78 0.045 -6.738 4.544 1.00 0.23 H new ATOM 0 HB3 ARG A 78 -1.639 -6.255 4.574 1.00 0.23 H new ATOM 0 HG2 ARG A 78 -2.052 -7.950 3.177 1.00 0.56 H new ATOM 0 HG3 ARG A 78 -1.226 -7.041 1.927 1.00 0.56 H new ATOM 0 HD2 ARG A 78 0.687 -8.278 2.090 1.00 1.56 H new ATOM 0 HD3 ARG A 78 0.575 -8.419 3.833 1.00 1.56 H new ATOM 0 HE ARG A 78 -1.469 -9.976 2.450 1.00 2.06 H new ATOM 0 HH11 ARG A 78 1.944 -9.943 3.363 1.00 3.25 H new ATOM 0 HH12 ARG A 78 2.035 -11.701 3.520 1.00 3.25 H new ATOM 0 HH21 ARG A 78 -1.356 -12.226 2.697 1.00 3.35 H new ATOM 0 HH22 ARG A 78 0.173 -12.989 3.145 1.00 3.35 H new ATOM 1122 N LEU A 79 1.824 -4.493 2.619 1.00 0.17 N ATOM 1123 CA LEU A 79 2.963 -4.531 1.742 1.00 0.15 C ATOM 1124 C LEU A 79 4.123 -5.213 2.421 1.00 0.15 C ATOM 1125 O LEU A 79 4.641 -4.737 3.431 1.00 0.22 O ATOM 1126 CB LEU A 79 3.367 -3.134 1.286 1.00 0.16 C ATOM 1127 CG LEU A 79 3.946 -3.075 -0.133 1.00 0.15 C ATOM 1128 CD1 LEU A 79 4.210 -1.640 -0.538 1.00 0.18 C ATOM 1129 CD2 LEU A 79 5.212 -3.924 -0.259 1.00 0.16 C ATOM 0 H LEU A 79 1.932 -3.905 3.446 1.00 0.17 H new ATOM 0 HA LEU A 79 2.681 -5.101 0.857 1.00 0.15 H new ATOM 0 HB2 LEU A 79 2.495 -2.482 1.337 1.00 0.16 H new ATOM 0 HB3 LEU A 79 4.104 -2.736 1.983 1.00 0.16 H new ATOM 0 HG LEU A 79 3.206 -3.495 -0.815 1.00 0.15 H new ATOM 0 HD11 LEU A 79 4.621 -1.616 -1.547 1.00 0.18 H new ATOM 0 HD12 LEU A 79 3.277 -1.077 -0.513 1.00 0.18 H new ATOM 0 HD13 LEU A 79 4.923 -1.192 0.154 1.00 0.18 H new ATOM 0 HD21 LEU A 79 5.594 -3.858 -1.278 1.00 0.16 H new ATOM 0 HD22 LEU A 79 5.967 -3.557 0.436 1.00 0.16 H new ATOM 0 HD23 LEU A 79 4.978 -4.963 -0.026 1.00 0.16 H new ATOM 1141 N ASP A 80 4.515 -6.324 1.848 1.00 0.12 N ATOM 1142 CA ASP A 80 5.675 -7.052 2.293 1.00 0.12 C ATOM 1143 C ASP A 80 6.875 -6.599 1.483 1.00 0.11 C ATOM 1144 O ASP A 80 6.905 -6.755 0.273 1.00 0.15 O ATOM 1145 CB ASP A 80 5.451 -8.556 2.127 1.00 0.15 C ATOM 1146 CG ASP A 80 4.399 -9.117 3.068 1.00 1.16 C ATOM 1147 OD1 ASP A 80 3.198 -8.843 2.859 1.00 2.22 O ATOM 1148 OD2 ASP A 80 4.766 -9.870 3.997 1.00 1.06 O ATOM 0 H ASP A 80 4.035 -6.750 1.055 1.00 0.12 H new ATOM 0 HA ASP A 80 5.854 -6.853 3.350 1.00 0.12 H new ATOM 0 HB2 ASP A 80 5.154 -8.760 1.098 1.00 0.15 H new ATOM 0 HB3 ASP A 80 6.393 -9.077 2.296 1.00 0.15 H new ATOM 1153 N VAL A 81 7.848 -5.995 2.120 1.00 0.09 N ATOM 1154 CA VAL A 81 9.035 -5.594 1.397 1.00 0.10 C ATOM 1155 C VAL A 81 10.146 -6.582 1.666 1.00 0.12 C ATOM 1156 O VAL A 81 10.709 -6.614 2.755 1.00 0.13 O ATOM 1157 CB VAL A 81 9.514 -4.183 1.771 1.00 0.09 C ATOM 1158 CG1 VAL A 81 10.577 -3.725 0.798 1.00 0.09 C ATOM 1159 CG2 VAL A 81 8.356 -3.197 1.813 1.00 0.09 C ATOM 0 H VAL A 81 7.846 -5.773 3.116 1.00 0.09 H new ATOM 0 HA VAL A 81 8.775 -5.579 0.339 1.00 0.10 H new ATOM 0 HB VAL A 81 9.945 -4.221 2.772 1.00 0.09 H new ATOM 0 HG11 VAL A 81 10.912 -2.724 1.070 1.00 0.09 H new ATOM 0 HG12 VAL A 81 11.422 -4.412 0.833 1.00 0.09 H new ATOM 0 HG13 VAL A 81 10.164 -3.708 -0.211 1.00 0.09 H new ATOM 0 HG21 VAL A 81 8.729 -2.209 2.081 1.00 0.09 H new ATOM 0 HG22 VAL A 81 7.880 -3.152 0.833 1.00 0.09 H new ATOM 0 HG23 VAL A 81 7.627 -3.523 2.555 1.00 0.09 H new ATOM 1169 N SER A 82 10.445 -7.388 0.672 1.00 0.14 N ATOM 1170 CA SER A 82 11.490 -8.376 0.776 1.00 0.17 C ATOM 1171 C SER A 82 12.546 -8.112 -0.295 1.00 0.20 C ATOM 1172 O SER A 82 12.342 -8.405 -1.476 1.00 0.25 O ATOM 1173 CB SER A 82 10.893 -9.776 0.610 1.00 0.21 C ATOM 1174 OG SER A 82 10.215 -9.891 -0.629 1.00 0.82 O ATOM 0 H SER A 82 9.969 -7.375 -0.230 1.00 0.14 H new ATOM 0 HA SER A 82 11.961 -8.313 1.757 1.00 0.17 H new ATOM 0 HB2 SER A 82 11.685 -10.523 0.667 1.00 0.21 H new ATOM 0 HB3 SER A 82 10.202 -9.981 1.428 1.00 0.21 H new ATOM 0 HG SER A 82 10.728 -9.432 -1.327 1.00 0.82 H new ATOM 1180 N PHE A 83 13.658 -7.542 0.114 1.00 0.21 N ATOM 1181 CA PHE A 83 14.716 -7.187 -0.811 1.00 0.24 C ATOM 1182 C PHE A 83 16.069 -7.468 -0.179 1.00 0.24 C ATOM 1183 O PHE A 83 16.577 -6.666 0.604 1.00 0.23 O ATOM 1184 CB PHE A 83 14.600 -5.710 -1.213 1.00 0.26 C ATOM 1185 CG PHE A 83 15.733 -5.218 -2.069 1.00 0.27 C ATOM 1186 CD1 PHE A 83 16.157 -5.938 -3.174 1.00 0.31 C ATOM 1187 CD2 PHE A 83 16.382 -4.037 -1.755 1.00 0.29 C ATOM 1188 CE1 PHE A 83 17.205 -5.487 -3.950 1.00 0.34 C ATOM 1189 CE2 PHE A 83 17.432 -3.582 -2.526 1.00 0.32 C ATOM 1190 CZ PHE A 83 17.844 -4.307 -3.625 1.00 0.34 C ATOM 0 H PHE A 83 13.855 -7.312 1.088 1.00 0.21 H new ATOM 0 HA PHE A 83 14.619 -7.793 -1.712 1.00 0.24 H new ATOM 0 HB2 PHE A 83 13.663 -5.563 -1.749 1.00 0.26 H new ATOM 0 HB3 PHE A 83 14.550 -5.101 -0.310 1.00 0.26 H new ATOM 0 HD1 PHE A 83 15.662 -6.863 -3.431 1.00 0.31 H new ATOM 0 HD2 PHE A 83 16.063 -3.465 -0.896 1.00 0.29 H new ATOM 0 HE1 PHE A 83 17.525 -6.056 -4.810 1.00 0.34 H new ATOM 0 HE2 PHE A 83 17.931 -2.659 -2.269 1.00 0.32 H new ATOM 0 HZ PHE A 83 18.665 -3.952 -4.230 1.00 0.34 H new ATOM 1200 N GLY A 84 16.629 -8.621 -0.502 1.00 0.30 N ATOM 1201 CA GLY A 84 17.921 -8.990 0.031 1.00 0.34 C ATOM 1202 C GLY A 84 17.899 -9.144 1.537 1.00 0.34 C ATOM 1203 O GLY A 84 17.404 -10.144 2.062 1.00 0.41 O ATOM 0 H GLY A 84 16.210 -9.310 -1.126 1.00 0.30 H new ATOM 0 HA2 GLY A 84 18.245 -9.927 -0.423 1.00 0.34 H new ATOM 0 HA3 GLY A 84 18.655 -8.232 -0.244 1.00 0.34 H new ATOM 1207 N SER A 85 18.419 -8.148 2.232 1.00 0.32 N ATOM 1208 CA SER A 85 18.529 -8.197 3.678 1.00 0.36 C ATOM 1209 C SER A 85 17.302 -7.602 4.366 1.00 0.31 C ATOM 1210 O SER A 85 17.110 -7.776 5.571 1.00 0.35 O ATOM 1211 CB SER A 85 19.791 -7.482 4.115 1.00 0.43 C ATOM 1212 OG SER A 85 19.883 -6.192 3.533 1.00 0.42 O ATOM 0 H SER A 85 18.774 -7.289 1.813 1.00 0.32 H new ATOM 0 HA SER A 85 18.583 -9.243 3.979 1.00 0.36 H new ATOM 0 HB2 SER A 85 19.804 -7.394 5.201 1.00 0.43 H new ATOM 0 HB3 SER A 85 20.662 -8.073 3.833 1.00 0.43 H new ATOM 0 HG SER A 85 20.706 -5.755 3.835 1.00 0.42 H new ATOM 1218 N VAL A 86 16.463 -6.905 3.608 1.00 0.24 N ATOM 1219 CA VAL A 86 15.247 -6.333 4.172 1.00 0.20 C ATOM 1220 C VAL A 86 14.047 -7.245 3.925 1.00 0.17 C ATOM 1221 O VAL A 86 13.872 -7.776 2.829 1.00 0.18 O ATOM 1222 CB VAL A 86 14.934 -4.914 3.618 1.00 0.18 C ATOM 1223 CG1 VAL A 86 14.582 -4.945 2.140 1.00 0.17 C ATOM 1224 CG2 VAL A 86 13.809 -4.271 4.415 1.00 0.19 C ATOM 0 H VAL A 86 16.600 -6.724 2.614 1.00 0.24 H new ATOM 0 HA VAL A 86 15.428 -6.242 5.243 1.00 0.20 H new ATOM 0 HB VAL A 86 15.838 -4.315 3.727 1.00 0.18 H new ATOM 0 HG11 VAL A 86 14.371 -3.933 1.795 1.00 0.17 H new ATOM 0 HG12 VAL A 86 15.420 -5.354 1.575 1.00 0.17 H new ATOM 0 HG13 VAL A 86 13.703 -5.571 1.988 1.00 0.17 H new ATOM 0 HG21 VAL A 86 13.601 -3.278 4.015 1.00 0.19 H new ATOM 0 HG22 VAL A 86 12.913 -4.887 4.341 1.00 0.19 H new ATOM 0 HG23 VAL A 86 14.106 -4.187 5.460 1.00 0.19 H new ATOM 1234 N THR A 87 13.261 -7.472 4.965 1.00 0.17 N ATOM 1235 CA THR A 87 11.961 -8.109 4.823 1.00 0.17 C ATOM 1236 C THR A 87 11.024 -7.570 5.901 1.00 0.15 C ATOM 1237 O THR A 87 11.274 -7.739 7.094 1.00 0.18 O ATOM 1238 CB THR A 87 12.053 -9.642 4.935 1.00 0.21 C ATOM 1239 OG1 THR A 87 13.112 -10.138 4.103 1.00 0.25 O ATOM 1240 CG2 THR A 87 10.743 -10.273 4.506 1.00 0.23 C ATOM 0 H THR A 87 13.503 -7.222 5.924 1.00 0.17 H new ATOM 0 HA THR A 87 11.576 -7.877 3.830 1.00 0.17 H new ATOM 0 HB THR A 87 12.259 -9.901 5.973 1.00 0.21 H new ATOM 0 HG1 THR A 87 13.162 -11.113 4.184 1.00 0.25 H new ATOM 0 HG21 THR A 87 10.817 -11.357 4.588 1.00 0.23 H new ATOM 0 HG22 THR A 87 9.939 -9.914 5.149 1.00 0.23 H new ATOM 0 HG23 THR A 87 10.530 -10.002 3.472 1.00 0.23 H new ATOM 1248 N ILE A 88 9.951 -6.920 5.467 1.00 0.12 N ATOM 1249 CA ILE A 88 9.040 -6.201 6.366 1.00 0.11 C ATOM 1250 C ILE A 88 7.623 -6.248 5.823 1.00 0.10 C ATOM 1251 O ILE A 88 7.413 -6.684 4.694 1.00 0.11 O ATOM 1252 CB ILE A 88 9.421 -4.727 6.529 1.00 0.10 C ATOM 1253 CG1 ILE A 88 9.113 -3.979 5.243 1.00 0.09 C ATOM 1254 CG2 ILE A 88 10.885 -4.584 6.909 1.00 0.14 C ATOM 1255 CD1 ILE A 88 9.569 -2.546 5.259 1.00 0.09 C ATOM 0 H ILE A 88 9.683 -6.873 4.484 1.00 0.12 H new ATOM 0 HA ILE A 88 9.112 -6.696 7.334 1.00 0.11 H new ATOM 0 HB ILE A 88 8.832 -4.294 7.338 1.00 0.10 H new ATOM 0 HG12 ILE A 88 9.590 -4.494 4.409 1.00 0.09 H new ATOM 0 HG13 ILE A 88 8.038 -4.008 5.063 1.00 0.09 H new ATOM 0 HG21 ILE A 88 11.131 -3.528 7.019 1.00 0.14 H new ATOM 0 HG22 ILE A 88 11.068 -5.099 7.852 1.00 0.14 H new ATOM 0 HG23 ILE A 88 11.508 -5.022 6.129 1.00 0.14 H new ATOM 0 HD11 ILE A 88 9.317 -2.073 4.310 1.00 0.09 H new ATOM 0 HD12 ILE A 88 9.073 -2.015 6.072 1.00 0.09 H new ATOM 0 HD13 ILE A 88 10.648 -2.509 5.407 1.00 0.09 H new ATOM 1267 N GLN A 89 6.655 -5.834 6.626 1.00 0.11 N ATOM 1268 CA GLN A 89 5.284 -5.710 6.153 1.00 0.14 C ATOM 1269 C GLN A 89 4.534 -4.608 6.909 1.00 0.14 C ATOM 1270 O GLN A 89 4.745 -4.408 8.106 1.00 0.20 O ATOM 1271 CB GLN A 89 4.536 -7.042 6.299 1.00 0.22 C ATOM 1272 CG GLN A 89 4.499 -7.568 7.725 1.00 0.68 C ATOM 1273 CD GLN A 89 3.646 -8.814 7.877 1.00 1.04 C ATOM 1274 OE1 GLN A 89 2.663 -9.007 7.156 1.00 1.53 O ATOM 1275 NE2 GLN A 89 4.010 -9.662 8.824 1.00 1.88 N ATOM 0 H GLN A 89 6.792 -5.579 7.604 1.00 0.11 H new ATOM 0 HA GLN A 89 5.324 -5.440 5.098 1.00 0.14 H new ATOM 0 HB2 GLN A 89 3.514 -6.916 5.941 1.00 0.22 H new ATOM 0 HB3 GLN A 89 5.009 -7.786 5.658 1.00 0.22 H new ATOM 0 HG2 GLN A 89 5.515 -7.789 8.051 1.00 0.68 H new ATOM 0 HG3 GLN A 89 4.115 -6.789 8.384 1.00 0.68 H new ATOM 0 HE21 GLN A 89 4.830 -9.464 9.398 1.00 1.88 H new ATOM 0 HE22 GLN A 89 3.471 -10.514 8.980 1.00 1.88 H new ATOM 1284 N CYS A 90 3.665 -3.896 6.201 1.00 0.20 N ATOM 1285 CA CYS A 90 2.783 -2.907 6.819 1.00 0.21 C ATOM 1286 C CYS A 90 1.370 -3.107 6.288 1.00 0.23 C ATOM 1287 O CYS A 90 1.198 -3.597 5.177 1.00 0.31 O ATOM 1288 CB CYS A 90 3.232 -1.475 6.541 1.00 0.22 C ATOM 1289 SG CYS A 90 4.910 -1.040 7.129 1.00 0.97 S ATOM 0 H CYS A 90 3.550 -3.985 5.191 1.00 0.20 H new ATOM 0 HA CYS A 90 2.818 -3.055 7.898 1.00 0.21 H new ATOM 0 HB2 CYS A 90 3.188 -1.302 5.466 1.00 0.22 H new ATOM 0 HB3 CYS A 90 2.517 -0.794 7.003 1.00 0.22 H new ATOM 1294 N ASN A 91 0.367 -2.719 7.065 1.00 0.19 N ATOM 1295 CA ASN A 91 -1.024 -3.021 6.726 1.00 0.18 C ATOM 1296 C ASN A 91 -1.938 -1.815 6.935 1.00 0.16 C ATOM 1297 O ASN A 91 -1.856 -1.122 7.951 1.00 0.18 O ATOM 1298 CB ASN A 91 -1.534 -4.224 7.534 1.00 0.20 C ATOM 1299 CG ASN A 91 -1.347 -4.067 9.032 1.00 1.05 C ATOM 1300 OD1 ASN A 91 -2.195 -3.503 9.724 1.00 1.87 O ATOM 1301 ND2 ASN A 91 -0.246 -4.593 9.545 1.00 1.82 N ATOM 0 H ASN A 91 0.487 -2.196 7.932 1.00 0.19 H new ATOM 0 HA ASN A 91 -1.048 -3.273 5.666 1.00 0.18 H new ATOM 0 HB2 ASN A 91 -2.593 -4.373 7.321 1.00 0.20 H new ATOM 0 HB3 ASN A 91 -1.013 -5.122 7.202 1.00 0.20 H new ATOM 0 HD21 ASN A 91 -0.075 -4.540 10.549 1.00 1.82 H new ATOM 0 HD22 ASN A 91 0.432 -5.052 8.936 1.00 1.82 H new ATOM 1308 N LEU A 92 -2.801 -1.571 5.947 1.00 0.14 N ATOM 1309 CA LEU A 92 -3.687 -0.407 5.949 1.00 0.13 C ATOM 1310 C LEU A 92 -4.840 -0.583 6.926 1.00 0.14 C ATOM 1311 O LEU A 92 -5.469 -1.640 6.979 1.00 0.17 O ATOM 1312 CB LEU A 92 -4.248 -0.119 4.543 1.00 0.12 C ATOM 1313 CG LEU A 92 -5.568 0.664 4.512 1.00 0.11 C ATOM 1314 CD1 LEU A 92 -5.376 2.107 4.960 1.00 0.14 C ATOM 1315 CD2 LEU A 92 -6.171 0.641 3.129 1.00 0.12 C ATOM 0 H LEU A 92 -2.905 -2.171 5.128 1.00 0.14 H new ATOM 0 HA LEU A 92 -3.082 0.442 6.267 1.00 0.13 H new ATOM 0 HB2 LEU A 92 -3.500 0.438 3.979 1.00 0.12 H new ATOM 0 HB3 LEU A 92 -4.395 -1.068 4.027 1.00 0.12 H new ATOM 0 HG LEU A 92 -6.248 0.175 5.210 1.00 0.11 H new ATOM 0 HD11 LEU A 92 -6.332 2.629 4.925 1.00 0.14 H new ATOM 0 HD12 LEU A 92 -4.991 2.123 5.980 1.00 0.14 H new ATOM 0 HD13 LEU A 92 -4.667 2.603 4.297 1.00 0.14 H new ATOM 0 HD21 LEU A 92 -7.106 1.202 3.130 1.00 0.12 H new ATOM 0 HD22 LEU A 92 -5.477 1.095 2.422 1.00 0.12 H new ATOM 0 HD23 LEU A 92 -6.367 -0.390 2.835 1.00 0.12 H new ATOM 1327 N ASP A 93 -5.096 0.458 7.699 1.00 0.17 N ATOM 1328 CA ASP A 93 -6.286 0.530 8.533 1.00 0.19 C ATOM 1329 C ASP A 93 -7.457 1.013 7.692 1.00 0.17 C ATOM 1330 O ASP A 93 -7.470 2.161 7.266 1.00 0.18 O ATOM 1331 CB ASP A 93 -6.073 1.495 9.702 1.00 0.26 C ATOM 1332 CG ASP A 93 -5.042 1.009 10.696 1.00 1.08 C ATOM 1333 OD1 ASP A 93 -5.310 0.018 11.403 1.00 1.02 O ATOM 1334 OD2 ASP A 93 -3.965 1.636 10.791 1.00 2.13 O ATOM 0 H ASP A 93 -4.489 1.275 7.767 1.00 0.17 H new ATOM 0 HA ASP A 93 -6.492 -0.462 8.934 1.00 0.19 H new ATOM 0 HB2 ASP A 93 -5.764 2.465 9.312 1.00 0.26 H new ATOM 0 HB3 ASP A 93 -7.022 1.646 10.217 1.00 0.26 H new ATOM 1339 N PRO A 94 -8.460 0.155 7.429 1.00 0.18 N ATOM 1340 CA PRO A 94 -9.625 0.537 6.619 1.00 0.19 C ATOM 1341 C PRO A 94 -10.366 1.724 7.218 1.00 0.23 C ATOM 1342 O PRO A 94 -11.146 2.400 6.549 1.00 0.27 O ATOM 1343 CB PRO A 94 -10.521 -0.702 6.648 1.00 0.24 C ATOM 1344 CG PRO A 94 -9.619 -1.828 7.007 1.00 0.40 C ATOM 1345 CD PRO A 94 -8.538 -1.247 7.877 1.00 0.21 C ATOM 0 HA PRO A 94 -9.333 0.840 5.613 1.00 0.19 H new ATOM 0 HB2 PRO A 94 -11.322 -0.591 7.379 1.00 0.24 H new ATOM 0 HB3 PRO A 94 -10.993 -0.869 5.680 1.00 0.24 H new ATOM 0 HG2 PRO A 94 -10.165 -2.609 7.536 1.00 0.40 H new ATOM 0 HG3 PRO A 94 -9.194 -2.285 6.113 1.00 0.40 H new ATOM 0 HD2 PRO A 94 -8.791 -1.318 8.935 1.00 0.21 H new ATOM 0 HD3 PRO A 94 -7.589 -1.766 7.741 1.00 0.21 H new ATOM 1353 N GLU A 95 -10.100 1.970 8.488 1.00 0.26 N ATOM 1354 CA GLU A 95 -10.649 3.100 9.192 1.00 0.34 C ATOM 1355 C GLU A 95 -9.950 4.401 8.817 1.00 0.32 C ATOM 1356 O GLU A 95 -10.138 5.422 9.470 1.00 0.46 O ATOM 1357 CB GLU A 95 -10.605 2.865 10.671 1.00 0.44 C ATOM 1358 CG GLU A 95 -11.990 2.692 11.232 1.00 0.69 C ATOM 1359 CD GLU A 95 -12.950 3.772 10.773 1.00 1.02 C ATOM 1360 OE1 GLU A 95 -13.587 3.599 9.713 1.00 1.42 O ATOM 1361 OE2 GLU A 95 -13.065 4.804 11.462 1.00 1.21 O ATOM 0 H GLU A 95 -9.492 1.383 9.059 1.00 0.26 H new ATOM 0 HA GLU A 95 -11.691 3.205 8.890 1.00 0.34 H new ATOM 0 HB2 GLU A 95 -10.009 1.977 10.884 1.00 0.44 H new ATOM 0 HB3 GLU A 95 -10.113 3.705 11.162 1.00 0.44 H new ATOM 0 HG2 GLU A 95 -12.378 1.718 10.935 1.00 0.69 H new ATOM 0 HG3 GLU A 95 -11.939 2.697 12.321 1.00 0.69 H new ATOM 1368 N THR A 96 -9.069 4.346 7.830 1.00 0.23 N ATOM 1369 CA THR A 96 -8.446 5.546 7.317 1.00 0.24 C ATOM 1370 C THR A 96 -8.934 5.885 5.908 1.00 0.23 C ATOM 1371 O THR A 96 -8.666 6.969 5.387 1.00 0.30 O ATOM 1372 CB THR A 96 -6.929 5.401 7.306 1.00 0.25 C ATOM 1373 OG1 THR A 96 -6.536 4.416 6.353 1.00 0.23 O ATOM 1374 CG2 THR A 96 -6.415 5.009 8.684 1.00 0.31 C ATOM 0 H THR A 96 -8.773 3.484 7.372 1.00 0.23 H new ATOM 0 HA THR A 96 -8.731 6.361 7.982 1.00 0.24 H new ATOM 0 HB THR A 96 -6.498 6.364 7.031 1.00 0.25 H new ATOM 0 HG1 THR A 96 -6.564 3.529 6.769 1.00 0.23 H new ATOM 0 HG21 THR A 96 -5.330 4.911 8.653 1.00 0.31 H new ATOM 0 HG22 THR A 96 -6.690 5.777 9.407 1.00 0.31 H new ATOM 0 HG23 THR A 96 -6.857 4.058 8.980 1.00 0.31 H new ATOM 1382 N VAL A 97 -9.649 4.944 5.304 1.00 0.20 N ATOM 1383 CA VAL A 97 -10.200 5.104 3.947 1.00 0.23 C ATOM 1384 C VAL A 97 -11.105 6.335 3.817 1.00 0.29 C ATOM 1385 O VAL A 97 -11.410 6.774 2.707 1.00 0.64 O ATOM 1386 CB VAL A 97 -10.995 3.848 3.514 1.00 0.28 C ATOM 1387 CG1 VAL A 97 -11.619 4.022 2.127 1.00 0.59 C ATOM 1388 CG2 VAL A 97 -10.097 2.623 3.537 1.00 0.51 C ATOM 0 H VAL A 97 -9.868 4.045 5.734 1.00 0.20 H new ATOM 0 HA VAL A 97 -9.340 5.242 3.291 1.00 0.23 H new ATOM 0 HB VAL A 97 -11.808 3.710 4.227 1.00 0.28 H new ATOM 0 HG11 VAL A 97 -12.168 3.119 1.859 1.00 0.59 H new ATOM 0 HG12 VAL A 97 -12.301 4.872 2.139 1.00 0.59 H new ATOM 0 HG13 VAL A 97 -10.832 4.199 1.394 1.00 0.59 H new ATOM 0 HG21 VAL A 97 -10.669 1.747 3.230 1.00 0.51 H new ATOM 0 HG22 VAL A 97 -9.263 2.770 2.851 1.00 0.51 H new ATOM 0 HG23 VAL A 97 -9.714 2.471 4.546 1.00 0.51 H new ATOM 1398 N LYS A 98 -11.524 6.916 4.930 1.00 0.29 N ATOM 1399 CA LYS A 98 -12.444 8.038 4.860 1.00 0.38 C ATOM 1400 C LYS A 98 -11.701 9.298 4.479 1.00 0.40 C ATOM 1401 O LYS A 98 -11.380 10.130 5.330 1.00 0.47 O ATOM 1402 CB LYS A 98 -13.256 8.246 6.142 1.00 0.55 C ATOM 1403 CG LYS A 98 -14.099 7.034 6.548 1.00 0.71 C ATOM 1404 CD LYS A 98 -13.247 5.903 7.099 1.00 0.53 C ATOM 1405 CE LYS A 98 -12.436 6.378 8.267 1.00 1.34 C ATOM 1406 NZ LYS A 98 -13.272 6.714 9.449 1.00 2.40 N ATOM 0 H LYS A 98 -11.249 6.637 5.872 1.00 0.29 H new ATOM 0 HA LYS A 98 -13.172 7.797 4.085 1.00 0.38 H new ATOM 0 HB2 LYS A 98 -12.574 8.491 6.956 1.00 0.55 H new ATOM 0 HB3 LYS A 98 -13.914 9.105 6.008 1.00 0.55 H new ATOM 0 HG2 LYS A 98 -14.829 7.336 7.299 1.00 0.71 H new ATOM 0 HG3 LYS A 98 -14.659 6.677 5.684 1.00 0.71 H new ATOM 0 HD2 LYS A 98 -13.886 5.074 7.405 1.00 0.53 H new ATOM 0 HD3 LYS A 98 -12.586 5.525 6.319 1.00 0.53 H new ATOM 0 HE2 LYS A 98 -11.718 5.606 8.543 1.00 1.34 H new ATOM 0 HE3 LYS A 98 -11.862 7.256 7.972 1.00 1.34 H new ATOM 0 HZ1 LYS A 98 -13.147 7.718 9.689 1.00 2.40 H new ATOM 0 HZ2 LYS A 98 -14.272 6.532 9.230 1.00 2.40 H new ATOM 0 HZ3 LYS A 98 -12.983 6.127 10.257 1.00 2.40 H new ATOM 1420 N LEU A 99 -11.413 9.388 3.179 1.00 0.47 N ATOM 1421 CA LEU A 99 -10.854 10.574 2.565 1.00 0.58 C ATOM 1422 C LEU A 99 -9.361 10.685 2.848 1.00 0.73 C ATOM 1423 O LEU A 99 -8.921 10.706 3.996 1.00 1.33 O ATOM 1424 CB LEU A 99 -11.629 11.814 2.999 1.00 0.53 C ATOM 1425 CG LEU A 99 -13.026 11.974 2.370 1.00 0.62 C ATOM 1426 CD1 LEU A 99 -12.961 11.830 0.858 1.00 0.80 C ATOM 1427 CD2 LEU A 99 -14.012 10.965 2.946 1.00 0.76 C ATOM 0 H LEU A 99 -11.567 8.623 2.522 1.00 0.47 H new ATOM 0 HA LEU A 99 -10.958 10.493 1.483 1.00 0.58 H new ATOM 0 HB2 LEU A 99 -11.738 11.793 4.083 1.00 0.53 H new ATOM 0 HB3 LEU A 99 -11.036 12.696 2.755 1.00 0.53 H new ATOM 0 HG LEU A 99 -13.378 12.977 2.613 1.00 0.62 H new ATOM 0 HD11 LEU A 99 -13.960 11.947 0.438 1.00 0.80 H new ATOM 0 HD12 LEU A 99 -12.303 12.596 0.448 1.00 0.80 H new ATOM 0 HD13 LEU A 99 -12.573 10.844 0.603 1.00 0.80 H new ATOM 0 HD21 LEU A 99 -14.988 11.104 2.482 1.00 0.76 H new ATOM 0 HD22 LEU A 99 -13.656 9.954 2.747 1.00 0.76 H new ATOM 0 HD23 LEU A 99 -14.098 11.114 4.022 1.00 0.76 H new ATOM 1439 N GLU A 100 -8.604 10.738 1.759 1.00 1.05 N ATOM 1440 CA GLU A 100 -7.145 10.672 1.784 1.00 1.25 C ATOM 1441 C GLU A 100 -6.523 11.671 2.757 1.00 2.09 C ATOM 1442 O GLU A 100 -6.794 12.874 2.687 1.00 2.87 O ATOM 1443 CB GLU A 100 -6.598 10.932 0.381 1.00 2.15 C ATOM 1444 CG GLU A 100 -5.087 10.829 0.285 1.00 2.70 C ATOM 1445 CD GLU A 100 -4.540 11.484 -0.963 1.00 3.59 C ATOM 1446 OE1 GLU A 100 -4.478 10.821 -2.011 1.00 4.13 O ATOM 1447 OE2 GLU A 100 -4.166 12.675 -0.896 1.00 4.09 O ATOM 0 H GLU A 100 -8.990 10.829 0.819 1.00 1.05 H new ATOM 0 HA GLU A 100 -6.877 9.673 2.126 1.00 1.25 H new ATOM 0 HB2 GLU A 100 -7.046 10.220 -0.312 1.00 2.15 H new ATOM 0 HB3 GLU A 100 -6.906 11.927 0.059 1.00 2.15 H new ATOM 0 HG2 GLU A 100 -4.638 11.294 1.162 1.00 2.70 H new ATOM 0 HG3 GLU A 100 -4.796 9.779 0.297 1.00 2.70 H new ATOM 1454 N HIS A 101 -5.680 11.144 3.647 1.00 2.68 N ATOM 1455 CA HIS A 101 -4.880 11.945 4.573 1.00 3.89 C ATOM 1456 C HIS A 101 -5.750 12.861 5.421 1.00 4.59 C ATOM 1457 O HIS A 101 -6.385 12.357 6.370 1.00 5.06 O ATOM 1458 CB HIS A 101 -3.829 12.766 3.818 1.00 4.61 C ATOM 1459 CG HIS A 101 -2.834 11.929 3.074 1.00 5.26 C ATOM 1460 ND1 HIS A 101 -2.425 12.212 1.789 1.00 5.92 N ATOM 1461 CD2 HIS A 101 -2.164 10.812 3.443 1.00 5.78 C ATOM 1462 CE1 HIS A 101 -1.548 11.304 1.400 1.00 6.69 C ATOM 1463 NE2 HIS A 101 -1.375 10.444 2.385 1.00 6.64 N ATOM 0 H HIS A 101 -5.533 10.140 3.745 1.00 2.68 H new ATOM 0 HA HIS A 101 -4.371 11.251 5.242 1.00 3.89 H new ATOM 0 HB2 HIS A 101 -4.334 13.427 3.114 1.00 4.61 H new ATOM 0 HB3 HIS A 101 -3.298 13.401 4.527 1.00 4.61 H new ATOM 0 HD2 HIS A 101 -2.238 10.305 4.394 1.00 5.78 H new ATOM 0 HE1 HIS A 101 -1.056 11.271 0.439 1.00 6.69 H new ATOM 0 HE2 HIS A 101 -0.754 9.635 2.363 1.00 6.64 H new TER 1472 HIS A 101